USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 921 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 112 HIS :FLIP no HE2:sc= -9.71! C(o=-11!,f=-9.7!) USER MOD Set 2.1: A 53 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 102 LYS NZ :NH3+ 163:sc= 0 (180deg=0) USER MOD Set 3.1: A 82 MET CE :methyl 147:sc= -3.95! (180deg=-3.21!) USER MOD Set 3.2: A 84 THR OG1 : rot 43:sc= -0.287 USER MOD Set 4.1: A 36 THR OG1 : rot 153:sc= 1.4 USER MOD Set 4.2: A 40 CYS SG : rot 87:sc= -0.856! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot -120:sc= -4.35! USER MOD Single : A 12 HIS :FLIP no HD1:sc= -6.74! C(o=-7.4!,f=-6.7!) USER MOD Single : A 13 ASN : amide:sc= -8.78! C(o=-8.8!,f=-14!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -3.85! C(o=-3.9!,f=-7.4!) USER MOD Single : A 21 MET CE :methyl -159:sc= -5.75! (180deg=-8.04!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 53:sc= 0.00451 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.16) USER MOD Single : A 76 LYS NZ :NH3+ 153:sc= -0.0423 (180deg=-0.629) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.385 USER MOD Single : A 78 ASN : amide:sc= -0.526 X(o=-0.53,f=-0.027) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -11.5! C(o=-12!,f=-13!) USER MOD Single : A 107 ASN : amide:sc= -0.923 K(o=-0.92,f=-2.1!) USER MOD Single : A 108 THR OG1 : rot 81:sc= -2.05! USER MOD Single : A 116 THR OG1 : rot -64:sc= 1 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 1 1.592 1.086 -2.189 1.00 21.41 C ATOM 4 O MET A 1 0.504 0.977 -2.753 1.00 60.33 O ATOM 5 CB MET A 1 2.000 -1.368 -1.922 1.00 63.21 C ATOM 6 CG MET A 1 3.056 -2.355 -1.449 1.00 14.42 C ATOM 7 SD MET A 1 2.446 -3.458 -0.159 1.00 44.22 S ATOM 8 CE MET A 1 3.889 -4.482 0.120 1.00 44.41 C ATOM 0 H1 MET A 1 1.687 -0.747 0.629 1.00 0.00 H new ATOM 0 H2 MET A 1 1.429 0.923 0.468 1.00 0.00 H new ATOM 0 H3 MET A 1 0.326 -0.175 -0.210 1.00 0.00 H new ATOM 0 HA MET A 1 3.135 0.205 -0.999 1.00 52.33 H new ATOM 0 HB2 MET A 1 1.012 -1.790 -1.738 1.00 63.21 H new ATOM 0 HB3 MET A 1 2.095 -1.236 -3.000 1.00 63.21 H new ATOM 0 HG2 MET A 1 3.399 -2.948 -2.297 1.00 14.42 H new ATOM 0 HG3 MET A 1 3.919 -1.806 -1.074 1.00 14.42 H new ATOM 0 HE1 MET A 1 3.669 -5.217 0.894 1.00 44.41 H new ATOM 0 HE2 MET A 1 4.154 -4.996 -0.804 1.00 44.41 H new ATOM 0 HE3 MET A 1 4.723 -3.857 0.439 1.00 44.41 H new ATOM 18 N ALA A 2 2.393 2.133 -2.357 1.00 61.45 N ATOM 19 CA ALA A 2 2.031 3.237 -3.237 1.00 5.31 C ATOM 20 C ALA A 2 3.081 3.439 -4.325 1.00 12.12 C ATOM 21 O ALA A 2 2.815 4.071 -5.347 1.00 3.12 O ATOM 22 CB ALA A 2 1.851 4.516 -2.432 1.00 33.43 C ATOM 0 H ALA A 2 3.296 2.240 -1.895 1.00 61.45 H new ATOM 0 HA ALA A 2 1.087 2.989 -3.721 1.00 5.31 H new ATOM 0 HB1 ALA A 2 1.581 5.332 -3.102 1.00 33.43 H new ATOM 0 HB2 ALA A 2 1.060 4.374 -1.695 1.00 33.43 H new ATOM 0 HB3 ALA A 2 2.783 4.759 -1.921 1.00 33.43 H new ATOM 28 N ALA A 3 4.274 2.899 -4.098 1.00 35.34 N ATOM 29 CA ALA A 3 5.362 3.019 -5.059 1.00 63.43 C ATOM 30 C ALA A 3 5.303 4.355 -5.792 1.00 31.40 C ATOM 31 O ALA A 3 5.559 4.425 -6.993 1.00 42.34 O ATOM 32 CB ALA A 3 5.318 1.867 -6.053 1.00 1.12 C ATOM 0 H ALA A 3 4.511 2.374 -3.256 1.00 35.34 H new ATOM 0 HA ALA A 3 6.303 2.976 -4.511 1.00 63.43 H new ATOM 0 HB1 ALA A 3 6.137 1.970 -6.765 1.00 1.12 H new ATOM 0 HB2 ALA A 3 5.418 0.922 -5.519 1.00 1.12 H new ATOM 0 HB3 ALA A 3 4.368 1.884 -6.587 1.00 1.12 H new ATOM 38 N GLU A 4 4.963 5.411 -5.060 1.00 55.13 N ATOM 39 CA GLU A 4 4.868 6.745 -5.643 1.00 23.52 C ATOM 40 C GLU A 4 3.822 6.781 -6.753 1.00 33.42 C ATOM 41 O GLU A 4 4.119 6.484 -7.909 1.00 71.23 O ATOM 42 CB GLU A 4 6.227 7.182 -6.194 1.00 21.13 C ATOM 43 CG GLU A 4 6.170 8.463 -7.009 1.00 73.42 C ATOM 44 CD GLU A 4 6.336 8.215 -8.496 1.00 52.40 C ATOM 45 OE1 GLU A 4 7.202 7.396 -8.867 1.00 62.04 O ATOM 46 OE2 GLU A 4 5.600 8.841 -9.288 1.00 24.11 O ATOM 0 H GLU A 4 4.749 5.369 -4.064 1.00 55.13 H new ATOM 0 HA GLU A 4 4.562 7.436 -4.857 1.00 23.52 H new ATOM 0 HB2 GLU A 4 6.919 7.320 -5.363 1.00 21.13 H new ATOM 0 HB3 GLU A 4 6.631 6.383 -6.816 1.00 21.13 H new ATOM 0 HG2 GLU A 4 5.216 8.960 -6.831 1.00 73.42 H new ATOM 0 HG3 GLU A 4 6.952 9.142 -6.668 1.00 73.42 H new ATOM 53 N GLU A 5 2.596 7.146 -6.391 1.00 32.04 N ATOM 54 CA GLU A 5 1.505 7.219 -7.356 1.00 10.45 C ATOM 55 C GLU A 5 1.387 8.625 -7.937 1.00 52.22 C ATOM 56 O GLU A 5 2.353 9.386 -7.952 1.00 4.01 O ATOM 57 CB GLU A 5 0.184 6.815 -6.697 1.00 42.22 C ATOM 58 CG GLU A 5 0.338 5.744 -5.631 1.00 63.52 C ATOM 59 CD GLU A 5 0.436 4.348 -6.217 1.00 12.14 C ATOM 60 OE1 GLU A 5 1.110 4.187 -7.255 1.00 45.03 O ATOM 61 OE2 GLU A 5 -0.162 3.418 -5.637 1.00 31.21 O ATOM 0 H GLU A 5 2.334 7.396 -5.437 1.00 32.04 H new ATOM 0 HA GLU A 5 1.725 6.526 -8.168 1.00 10.45 H new ATOM 0 HB2 GLU A 5 -0.274 7.697 -6.250 1.00 42.22 H new ATOM 0 HB3 GLU A 5 -0.500 6.455 -7.465 1.00 42.22 H new ATOM 0 HG2 GLU A 5 1.231 5.950 -5.041 1.00 63.52 H new ATOM 0 HG3 GLU A 5 -0.512 5.789 -4.950 1.00 63.52 H new ATOM 68 N GLY A 6 0.193 8.963 -8.417 1.00 23.34 N ATOM 69 CA GLY A 6 -0.030 10.275 -8.994 1.00 12.44 C ATOM 70 C GLY A 6 -0.375 11.317 -7.948 1.00 1.20 C ATOM 71 O GLY A 6 -1.119 12.259 -8.221 1.00 44.43 O ATOM 0 H GLY A 6 -0.623 8.351 -8.416 1.00 23.34 H new ATOM 0 HA2 GLY A 6 0.864 10.588 -9.533 1.00 12.44 H new ATOM 0 HA3 GLY A 6 -0.838 10.215 -9.723 1.00 12.44 H new ATOM 75 N VAL A 7 0.166 11.148 -6.745 1.00 74.14 N ATOM 76 CA VAL A 7 -0.089 12.081 -5.654 1.00 73.14 C ATOM 77 C VAL A 7 1.156 12.897 -5.327 1.00 50.32 C ATOM 78 O VAL A 7 2.195 12.749 -5.970 1.00 42.44 O ATOM 79 CB VAL A 7 -0.556 11.345 -4.384 1.00 41.31 C ATOM 80 CG1 VAL A 7 -1.431 10.155 -4.747 1.00 50.31 C ATOM 81 CG2 VAL A 7 0.641 10.904 -3.555 1.00 15.35 C ATOM 0 H VAL A 7 0.784 10.373 -6.502 1.00 74.14 H new ATOM 0 HA VAL A 7 -0.881 12.751 -5.988 1.00 73.14 H new ATOM 0 HB VAL A 7 -1.152 12.033 -3.784 1.00 41.31 H new ATOM 0 HG11 VAL A 7 -1.751 9.648 -3.837 1.00 50.31 H new ATOM 0 HG12 VAL A 7 -2.306 10.501 -5.297 1.00 50.31 H new ATOM 0 HG13 VAL A 7 -0.863 9.462 -5.368 1.00 50.31 H new ATOM 0 HG21 VAL A 7 0.294 10.386 -2.661 1.00 15.35 H new ATOM 0 HG22 VAL A 7 1.264 10.232 -4.145 1.00 15.35 H new ATOM 0 HG23 VAL A 7 1.224 11.778 -3.264 1.00 15.35 H new ATOM 91 N VAL A 8 1.044 13.760 -4.322 1.00 23.21 N ATOM 92 CA VAL A 8 2.162 14.599 -3.907 1.00 52.42 C ATOM 93 C VAL A 8 3.406 13.762 -3.633 1.00 41.32 C ATOM 94 O VAL A 8 3.577 13.226 -2.538 1.00 12.11 O ATOM 95 CB VAL A 8 1.815 15.412 -2.646 1.00 2.34 C ATOM 96 CG1 VAL A 8 0.600 16.292 -2.894 1.00 52.45 C ATOM 97 CG2 VAL A 8 1.579 14.485 -1.463 1.00 70.11 C ATOM 0 H VAL A 8 0.191 13.896 -3.780 1.00 23.21 H new ATOM 0 HA VAL A 8 2.364 15.286 -4.729 1.00 52.42 H new ATOM 0 HB VAL A 8 2.660 16.059 -2.409 1.00 2.34 H new ATOM 0 HG11 VAL A 8 0.371 16.858 -1.991 1.00 52.45 H new ATOM 0 HG12 VAL A 8 0.811 16.982 -3.711 1.00 52.45 H new ATOM 0 HG13 VAL A 8 -0.254 15.668 -3.157 1.00 52.45 H new ATOM 0 HG21 VAL A 8 1.335 15.076 -0.580 1.00 70.11 H new ATOM 0 HG22 VAL A 8 0.752 13.811 -1.688 1.00 70.11 H new ATOM 0 HG23 VAL A 8 2.480 13.903 -1.272 1.00 70.11 H new ATOM 107 N ILE A 9 4.273 13.655 -4.635 1.00 15.03 N ATOM 108 CA ILE A 9 5.502 12.884 -4.501 1.00 5.31 C ATOM 109 C ILE A 9 6.176 13.153 -3.159 1.00 61.35 C ATOM 110 O ILE A 9 5.808 14.083 -2.444 1.00 13.35 O ATOM 111 CB ILE A 9 6.494 13.206 -5.634 1.00 65.12 C ATOM 112 CG1 ILE A 9 5.788 13.154 -6.990 1.00 74.13 C ATOM 113 CG2 ILE A 9 7.666 12.236 -5.604 1.00 31.31 C ATOM 114 CD1 ILE A 9 4.964 11.902 -7.195 1.00 22.42 C ATOM 0 H ILE A 9 4.147 14.093 -5.548 1.00 15.03 H new ATOM 0 HA ILE A 9 5.223 11.832 -4.561 1.00 5.31 H new ATOM 0 HB ILE A 9 6.878 14.215 -5.484 1.00 65.12 H new ATOM 0 HG12 ILE A 9 5.140 14.025 -7.087 1.00 74.13 H new ATOM 0 HG13 ILE A 9 6.534 13.222 -7.782 1.00 74.13 H new ATOM 0 HG21 ILE A 9 8.358 12.477 -6.411 1.00 31.31 H new ATOM 0 HG22 ILE A 9 8.182 12.318 -4.647 1.00 31.31 H new ATOM 0 HG23 ILE A 9 7.299 11.218 -5.733 1.00 31.31 H new ATOM 0 HD11 ILE A 9 4.492 11.934 -8.177 1.00 22.42 H new ATOM 0 HD12 ILE A 9 5.610 11.027 -7.131 1.00 22.42 H new ATOM 0 HD13 ILE A 9 4.195 11.843 -6.425 1.00 22.42 H new ATOM 126 N ALA A 10 7.167 12.332 -2.826 1.00 73.33 N ATOM 127 CA ALA A 10 7.895 12.483 -1.573 1.00 30.43 C ATOM 128 C ALA A 10 9.390 12.265 -1.777 1.00 24.41 C ATOM 129 O ALA A 10 9.984 11.367 -1.177 1.00 40.42 O ATOM 130 CB ALA A 10 7.356 11.515 -0.530 1.00 22.15 C ATOM 0 H ALA A 10 7.484 11.556 -3.407 1.00 73.33 H new ATOM 0 HA ALA A 10 7.749 13.503 -1.217 1.00 30.43 H new ATOM 0 HB1 ALA A 10 7.909 11.639 0.401 1.00 22.15 H new ATOM 0 HB2 ALA A 10 6.300 11.720 -0.355 1.00 22.15 H new ATOM 0 HB3 ALA A 10 7.473 10.492 -0.888 1.00 22.15 H new ATOM 136 N CYS A 11 9.993 13.089 -2.626 1.00 50.13 N ATOM 137 CA CYS A 11 11.420 12.985 -2.911 1.00 12.04 C ATOM 138 C CYS A 11 12.224 12.864 -1.620 1.00 71.23 C ATOM 139 O CYS A 11 11.746 13.219 -0.543 1.00 34.15 O ATOM 140 CB CYS A 11 11.892 14.202 -3.708 1.00 22.32 C ATOM 141 SG CYS A 11 13.651 14.573 -3.515 1.00 63.12 S ATOM 0 H CYS A 11 9.516 13.837 -3.129 1.00 50.13 H new ATOM 0 HA CYS A 11 11.583 12.086 -3.505 1.00 12.04 H new ATOM 0 HB2 CYS A 11 11.680 14.036 -4.764 1.00 22.32 H new ATOM 0 HB3 CYS A 11 11.312 15.072 -3.400 1.00 22.32 H new ATOM 0 HG CYS A 11 13.791 15.768 -3.024 1.00 63.12 H new ATOM 147 N HIS A 12 13.448 12.358 -1.737 1.00 51.41 N ATOM 148 CA HIS A 12 14.319 12.189 -0.579 1.00 53.03 C ATOM 149 C HIS A 12 15.760 11.942 -1.015 1.00 32.11 C ATOM 150 O HIS A 12 16.484 11.170 -0.388 1.00 70.11 O ATOM 151 CB HIS A 12 13.830 11.029 0.288 1.00 74.52 C ATOM 152 CG HIS A 12 12.530 11.304 0.980 1.00 43.11 C ATOM 153 ND1 HIS A 12 12.186 12.267 1.867 1.00 4.34 N flip ATOM 154 CD2 HIS A 12 11.399 10.538 0.790 1.00 44.24 C flip ATOM 155 CE1 HIS A 12 10.867 12.069 2.192 1.00 34.51 C flip ATOM 156 NE2 HIS A 12 10.416 11.020 1.529 1.00 23.33 N flip ATOM 0 H HIS A 12 13.859 12.058 -2.621 1.00 51.41 H new ATOM 0 HA HIS A 12 14.288 13.108 0.006 1.00 53.03 H new ATOM 0 HB2 HIS A 12 13.720 10.142 -0.335 1.00 74.52 H new ATOM 0 HB3 HIS A 12 14.589 10.800 1.036 1.00 74.52 H new ATOM 0 HD2 HIS A 12 11.328 9.679 0.139 1.00 44.24 H new ATOM 0 HE1 HIS A 12 10.292 12.673 2.878 1.00 34.51 H new ATOM 0 HE2 HIS A 12 9.469 10.645 1.579 1.00 23.33 H new ATOM 164 N ASN A 13 16.168 12.602 -2.094 1.00 4.45 N ATOM 165 CA ASN A 13 17.523 12.453 -2.614 1.00 13.13 C ATOM 166 C ASN A 13 17.737 13.341 -3.836 1.00 0.13 C ATOM 167 O ASN A 13 18.565 13.042 -4.697 1.00 13.51 O ATOM 168 CB ASN A 13 17.793 10.992 -2.978 1.00 24.24 C ATOM 169 CG ASN A 13 16.567 10.299 -3.540 1.00 42.55 C ATOM 170 OD1 ASN A 13 15.530 10.217 -2.882 1.00 41.02 O ATOM 171 ND2 ASN A 13 16.681 9.797 -4.765 1.00 2.34 N ATOM 0 H ASN A 13 15.580 13.245 -2.625 1.00 4.45 H new ATOM 0 HA ASN A 13 18.221 12.762 -1.836 1.00 13.13 H new ATOM 0 HB2 ASN A 13 18.600 10.946 -3.709 1.00 24.24 H new ATOM 0 HB3 ASN A 13 18.135 10.457 -2.092 1.00 24.24 H new ATOM 0 HD21 ASN A 13 15.889 9.320 -5.197 1.00 2.34 H new ATOM 0 HD22 ASN A 13 17.560 9.888 -5.274 1.00 2.34 H new ATOM 178 N LYS A 14 16.986 14.435 -3.904 1.00 51.02 N ATOM 179 CA LYS A 14 17.094 15.369 -5.019 1.00 14.03 C ATOM 180 C LYS A 14 16.659 14.711 -6.324 1.00 73.22 C ATOM 181 O LYS A 14 15.621 15.056 -6.889 1.00 13.41 O ATOM 182 CB LYS A 14 18.531 15.879 -5.146 1.00 53.24 C ATOM 183 CG LYS A 14 18.919 16.256 -6.566 1.00 35.02 C ATOM 184 CD LYS A 14 19.815 17.483 -6.592 1.00 34.20 C ATOM 185 CE LYS A 14 19.105 18.703 -6.026 1.00 41.53 C ATOM 186 NZ LYS A 14 19.295 19.904 -6.887 1.00 23.13 N ATOM 0 H LYS A 14 16.296 14.697 -3.200 1.00 51.02 H new ATOM 0 HA LYS A 14 16.432 16.212 -4.820 1.00 14.03 H new ATOM 0 HB2 LYS A 14 18.658 16.748 -4.501 1.00 53.24 H new ATOM 0 HB3 LYS A 14 19.214 15.111 -4.783 1.00 53.24 H new ATOM 0 HG2 LYS A 14 19.433 15.419 -7.038 1.00 35.02 H new ATOM 0 HG3 LYS A 14 18.020 16.449 -7.151 1.00 35.02 H new ATOM 0 HD2 LYS A 14 20.719 17.287 -6.016 1.00 34.20 H new ATOM 0 HD3 LYS A 14 20.127 17.685 -7.617 1.00 34.20 H new ATOM 0 HE2 LYS A 14 18.040 18.491 -5.928 1.00 41.53 H new ATOM 0 HE3 LYS A 14 19.482 18.911 -5.025 1.00 41.53 H new ATOM 0 HZ1 LYS A 14 18.796 20.714 -6.467 1.00 23.13 H new ATOM 0 HZ2 LYS A 14 20.309 20.122 -6.960 1.00 23.13 H new ATOM 0 HZ3 LYS A 14 18.912 19.715 -7.835 1.00 23.13 H new ATOM 200 N ASP A 15 17.458 13.761 -6.797 1.00 73.21 N ATOM 201 CA ASP A 15 17.154 13.052 -8.035 1.00 14.21 C ATOM 202 C ASP A 15 15.646 12.931 -8.236 1.00 3.04 C ATOM 203 O ASP A 15 15.134 13.186 -9.325 1.00 34.52 O ATOM 204 CB ASP A 15 17.792 11.663 -8.022 1.00 63.52 C ATOM 205 CG ASP A 15 18.654 11.410 -9.244 1.00 4.34 C ATOM 206 OD1 ASP A 15 19.795 11.916 -9.279 1.00 3.43 O ATOM 207 OD2 ASP A 15 18.188 10.708 -10.165 1.00 33.42 O ATOM 0 H ASP A 15 18.321 13.464 -6.342 1.00 73.21 H new ATOM 0 HA ASP A 15 17.568 13.626 -8.864 1.00 14.21 H new ATOM 0 HB2 ASP A 15 18.399 11.554 -7.124 1.00 63.52 H new ATOM 0 HB3 ASP A 15 17.008 10.907 -7.971 1.00 63.52 H new ATOM 212 N GLU A 16 14.943 12.540 -7.177 1.00 60.24 N ATOM 213 CA GLU A 16 13.495 12.383 -7.239 1.00 54.21 C ATOM 214 C GLU A 16 12.802 13.742 -7.288 1.00 10.11 C ATOM 215 O GLU A 16 11.821 13.926 -8.009 1.00 44.04 O ATOM 216 CB GLU A 16 12.994 11.586 -6.033 1.00 13.22 C ATOM 217 CG GLU A 16 14.002 10.579 -5.508 1.00 24.45 C ATOM 218 CD GLU A 16 13.351 9.293 -5.037 1.00 25.44 C ATOM 219 OE1 GLU A 16 12.595 8.687 -5.824 1.00 62.21 O ATOM 220 OE2 GLU A 16 13.599 8.892 -3.880 1.00 0.22 O ATOM 0 H GLU A 16 15.352 12.327 -6.268 1.00 60.24 H new ATOM 0 HA GLU A 16 13.253 11.838 -8.151 1.00 54.21 H new ATOM 0 HB2 GLU A 16 12.735 12.279 -5.233 1.00 13.22 H new ATOM 0 HB3 GLU A 16 12.079 11.062 -6.309 1.00 13.22 H new ATOM 0 HG2 GLU A 16 14.724 10.350 -6.292 1.00 24.45 H new ATOM 0 HG3 GLU A 16 14.558 11.024 -4.683 1.00 24.45 H new ATOM 227 N PHE A 17 13.319 14.691 -6.515 1.00 11.14 N ATOM 228 CA PHE A 17 12.750 16.033 -6.468 1.00 2.14 C ATOM 229 C PHE A 17 12.700 16.652 -7.862 1.00 25.25 C ATOM 230 O PHE A 17 11.733 17.323 -8.220 1.00 52.12 O ATOM 231 CB PHE A 17 13.568 16.924 -5.531 1.00 3.13 C ATOM 232 CG PHE A 17 14.035 18.199 -6.172 1.00 41.52 C ATOM 233 CD1 PHE A 17 15.088 18.192 -7.073 1.00 3.44 C ATOM 234 CD2 PHE A 17 13.421 19.405 -5.875 1.00 55.24 C ATOM 235 CE1 PHE A 17 15.520 19.365 -7.664 1.00 22.34 C ATOM 236 CE2 PHE A 17 13.848 20.581 -6.464 1.00 32.32 C ATOM 237 CZ PHE A 17 14.898 20.560 -7.360 1.00 5.11 C ATOM 0 H PHE A 17 14.131 14.556 -5.913 1.00 11.14 H new ATOM 0 HA PHE A 17 11.732 15.956 -6.087 1.00 2.14 H new ATOM 0 HB2 PHE A 17 12.966 17.166 -4.655 1.00 3.13 H new ATOM 0 HB3 PHE A 17 14.435 16.366 -5.177 1.00 3.13 H new ATOM 0 HD1 PHE A 17 15.577 17.260 -7.316 1.00 3.44 H new ATOM 0 HD2 PHE A 17 12.599 19.427 -5.175 1.00 55.24 H new ATOM 0 HE1 PHE A 17 16.343 19.347 -8.363 1.00 22.34 H new ATOM 0 HE2 PHE A 17 13.361 21.514 -6.223 1.00 32.32 H new ATOM 0 HZ PHE A 17 15.233 21.477 -7.823 1.00 5.11 H new ATOM 247 N ASP A 18 13.750 16.421 -8.642 1.00 42.22 N ATOM 248 CA ASP A 18 13.827 16.955 -9.997 1.00 64.22 C ATOM 249 C ASP A 18 12.802 16.283 -10.905 1.00 12.10 C ATOM 250 O ASP A 18 12.168 16.937 -11.732 1.00 51.34 O ATOM 251 CB ASP A 18 15.234 16.761 -10.565 1.00 61.02 C ATOM 252 CG ASP A 18 15.993 18.067 -10.690 1.00 2.40 C ATOM 253 OD1 ASP A 18 15.366 19.086 -11.050 1.00 5.22 O ATOM 254 OD2 ASP A 18 17.214 18.071 -10.427 1.00 52.30 O ATOM 0 H ASP A 18 14.559 15.868 -8.360 1.00 42.22 H new ATOM 0 HA ASP A 18 13.604 18.021 -9.954 1.00 64.22 H new ATOM 0 HB2 ASP A 18 15.792 16.080 -9.922 1.00 61.02 H new ATOM 0 HB3 ASP A 18 15.165 16.289 -11.545 1.00 61.02 H new ATOM 259 N ALA A 19 12.645 14.973 -10.745 1.00 2.15 N ATOM 260 CA ALA A 19 11.696 14.213 -11.549 1.00 3.13 C ATOM 261 C ALA A 19 10.376 14.962 -11.694 1.00 42.32 C ATOM 262 O ALA A 19 9.618 14.724 -12.634 1.00 1.30 O ATOM 263 CB ALA A 19 11.462 12.842 -10.933 1.00 20.34 C ATOM 0 H ALA A 19 13.163 14.416 -10.066 1.00 2.15 H new ATOM 0 HA ALA A 19 12.122 14.084 -12.544 1.00 3.13 H new ATOM 0 HB1 ALA A 19 10.751 12.285 -11.544 1.00 20.34 H new ATOM 0 HB2 ALA A 19 12.405 12.298 -10.887 1.00 20.34 H new ATOM 0 HB3 ALA A 19 11.061 12.959 -9.926 1.00 20.34 H new ATOM 269 N GLN A 20 10.108 15.867 -10.758 1.00 61.11 N ATOM 270 CA GLN A 20 8.878 16.649 -10.783 1.00 0.44 C ATOM 271 C GLN A 20 9.152 18.081 -11.231 1.00 44.01 C ATOM 272 O GLN A 20 8.537 18.574 -12.176 1.00 10.43 O ATOM 273 CB GLN A 20 8.223 16.652 -9.400 1.00 52.24 C ATOM 274 CG GLN A 20 7.418 15.396 -9.106 1.00 42.40 C ATOM 275 CD GLN A 20 8.277 14.148 -9.072 1.00 20.32 C ATOM 276 OE1 GLN A 20 9.257 14.075 -8.330 1.00 62.51 O ATOM 277 NE2 GLN A 20 7.913 13.156 -9.877 1.00 12.25 N ATOM 0 H GLN A 20 10.726 16.076 -9.974 1.00 61.11 H new ATOM 0 HA GLN A 20 8.198 16.187 -11.499 1.00 0.44 H new ATOM 0 HB2 GLN A 20 8.997 16.764 -8.641 1.00 52.24 H new ATOM 0 HB3 GLN A 20 7.569 17.520 -9.319 1.00 52.24 H new ATOM 0 HG2 GLN A 20 6.911 15.510 -8.148 1.00 42.40 H new ATOM 0 HG3 GLN A 20 6.644 15.279 -9.864 1.00 42.40 H new ATOM 0 HE21 GLN A 20 7.094 13.259 -10.475 1.00 12.25 H new ATOM 0 HE22 GLN A 20 8.453 12.291 -9.897 1.00 12.25 H new ATOM 286 N MET A 21 10.080 18.743 -10.547 1.00 31.31 N ATOM 287 CA MET A 21 10.436 20.118 -10.876 1.00 41.11 C ATOM 288 C MET A 21 10.633 20.284 -12.380 1.00 20.43 C ATOM 289 O MET A 21 10.469 21.377 -12.921 1.00 41.35 O ATOM 290 CB MET A 21 11.710 20.529 -10.135 1.00 13.12 C ATOM 291 CG MET A 21 11.564 21.821 -9.347 1.00 62.10 C ATOM 292 SD MET A 21 11.163 21.535 -7.613 1.00 14.34 S ATOM 293 CE MET A 21 9.695 20.520 -7.768 1.00 23.24 C ATOM 0 H MET A 21 10.599 18.349 -9.762 1.00 31.31 H new ATOM 0 HA MET A 21 9.617 20.764 -10.561 1.00 41.11 H new ATOM 0 HB2 MET A 21 11.999 19.728 -9.454 1.00 13.12 H new ATOM 0 HB3 MET A 21 12.520 20.642 -10.856 1.00 13.12 H new ATOM 0 HG2 MET A 21 12.492 22.389 -9.412 1.00 62.10 H new ATOM 0 HG3 MET A 21 10.784 22.432 -9.800 1.00 62.10 H new ATOM 0 HE1 MET A 21 9.121 20.566 -6.842 1.00 23.24 H new ATOM 0 HE2 MET A 21 9.084 20.887 -8.592 1.00 23.24 H new ATOM 0 HE3 MET A 21 9.985 19.488 -7.964 1.00 23.24 H new ATOM 303 N THR A 22 10.986 19.191 -13.050 1.00 21.02 N ATOM 304 CA THR A 22 11.207 19.216 -14.490 1.00 71.31 C ATOM 305 C THR A 22 9.925 18.889 -15.248 1.00 44.14 C ATOM 306 O THR A 22 9.754 19.288 -16.400 1.00 43.45 O ATOM 307 CB THR A 22 12.305 18.219 -14.907 1.00 51.34 C ATOM 308 OG1 THR A 22 13.563 18.894 -15.018 1.00 11.53 O ATOM 309 CG2 THR A 22 11.960 17.558 -16.234 1.00 4.44 C ATOM 0 H THR A 22 11.125 18.278 -12.618 1.00 21.02 H new ATOM 0 HA THR A 22 11.529 20.226 -14.743 1.00 71.31 H new ATOM 0 HB THR A 22 12.374 17.447 -14.141 1.00 51.34 H new ATOM 0 HG1 THR A 22 14.256 18.253 -15.282 1.00 11.53 H new ATOM 0 HG21 THR A 22 12.750 16.858 -16.508 1.00 4.44 H new ATOM 0 HG22 THR A 22 11.016 17.021 -16.138 1.00 4.44 H new ATOM 0 HG23 THR A 22 11.867 18.321 -17.007 1.00 4.44 H new ATOM 317 N LYS A 23 9.026 18.161 -14.595 1.00 42.12 N ATOM 318 CA LYS A 23 7.758 17.782 -15.207 1.00 31.25 C ATOM 319 C LYS A 23 6.737 18.908 -15.084 1.00 53.35 C ATOM 320 O LYS A 23 5.530 18.675 -15.153 1.00 23.03 O ATOM 321 CB LYS A 23 7.212 16.511 -14.551 1.00 42.12 C ATOM 322 CG LYS A 23 7.681 15.231 -15.222 1.00 2.43 C ATOM 323 CD LYS A 23 7.450 14.020 -14.334 1.00 65.00 C ATOM 324 CE LYS A 23 8.573 13.004 -14.475 1.00 25.21 C ATOM 325 NZ LYS A 23 8.101 11.738 -15.100 1.00 73.23 N ATOM 0 H LYS A 23 9.152 17.821 -13.641 1.00 42.12 H new ATOM 0 HA LYS A 23 7.936 17.590 -16.265 1.00 31.25 H new ATOM 0 HB2 LYS A 23 7.514 16.494 -13.504 1.00 42.12 H new ATOM 0 HB3 LYS A 23 6.123 16.542 -14.568 1.00 42.12 H new ATOM 0 HG2 LYS A 23 7.151 15.098 -16.165 1.00 2.43 H new ATOM 0 HG3 LYS A 23 8.741 15.312 -15.461 1.00 2.43 H new ATOM 0 HD2 LYS A 23 7.375 14.339 -13.294 1.00 65.00 H new ATOM 0 HD3 LYS A 23 6.500 13.553 -14.594 1.00 65.00 H new ATOM 0 HE2 LYS A 23 9.374 13.430 -15.079 1.00 25.21 H new ATOM 0 HE3 LYS A 23 8.994 12.789 -13.493 1.00 25.21 H new ATOM 0 HZ1 LYS A 23 8.896 11.072 -15.178 1.00 73.23 H new ATOM 0 HZ2 LYS A 23 7.354 11.318 -14.511 1.00 73.23 H new ATOM 0 HZ3 LYS A 23 7.723 11.939 -16.048 1.00 73.23 H new ATOM 339 N ALA A 24 7.228 20.130 -14.905 1.00 64.21 N ATOM 340 CA ALA A 24 6.358 21.292 -14.777 1.00 45.44 C ATOM 341 C ALA A 24 6.641 22.313 -15.875 1.00 73.51 C ATOM 342 O ALA A 24 5.720 22.840 -16.499 1.00 74.42 O ATOM 343 CB ALA A 24 6.527 21.930 -13.406 1.00 60.40 C ATOM 0 H ALA A 24 8.224 20.341 -14.845 1.00 64.21 H new ATOM 0 HA ALA A 24 5.327 20.956 -14.885 1.00 45.44 H new ATOM 0 HB1 ALA A 24 5.871 22.797 -13.325 1.00 60.40 H new ATOM 0 HB2 ALA A 24 6.269 21.206 -12.633 1.00 60.40 H new ATOM 0 HB3 ALA A 24 7.562 22.245 -13.276 1.00 60.40 H new ATOM 349 N LYS A 25 7.920 22.588 -16.106 1.00 30.41 N ATOM 350 CA LYS A 25 8.325 23.545 -17.129 1.00 32.51 C ATOM 351 C LYS A 25 7.992 23.024 -18.523 1.00 73.23 C ATOM 352 O LYS A 25 7.514 23.771 -19.376 1.00 71.13 O ATOM 353 CB LYS A 25 9.825 23.830 -17.024 1.00 54.13 C ATOM 354 CG LYS A 25 10.679 22.576 -16.959 1.00 44.22 C ATOM 355 CD LYS A 25 11.630 22.611 -15.774 1.00 63.55 C ATOM 356 CE LYS A 25 12.445 23.895 -15.751 1.00 30.33 C ATOM 357 NZ LYS A 25 13.896 23.635 -15.960 1.00 63.11 N ATOM 0 H LYS A 25 8.695 22.161 -15.598 1.00 30.41 H new ATOM 0 HA LYS A 25 7.773 24.471 -16.965 1.00 32.51 H new ATOM 0 HB2 LYS A 25 10.134 24.426 -17.883 1.00 54.13 H new ATOM 0 HB3 LYS A 25 10.011 24.432 -16.135 1.00 54.13 H new ATOM 0 HG2 LYS A 25 10.035 21.700 -16.885 1.00 44.22 H new ATOM 0 HG3 LYS A 25 11.250 22.475 -17.882 1.00 44.22 H new ATOM 0 HD2 LYS A 25 11.062 22.523 -14.848 1.00 63.55 H new ATOM 0 HD3 LYS A 25 12.301 21.753 -15.819 1.00 63.55 H new ATOM 0 HE2 LYS A 25 12.082 24.570 -16.526 1.00 30.33 H new ATOM 0 HE3 LYS A 25 12.300 24.400 -14.796 1.00 30.33 H new ATOM 0 HZ1 LYS A 25 14.417 24.535 -15.937 1.00 63.11 H new ATOM 0 HZ2 LYS A 25 14.249 23.012 -15.206 1.00 63.11 H new ATOM 0 HZ3 LYS A 25 14.037 23.176 -16.883 1.00 63.11 H new ATOM 371 N GLU A 26 8.246 21.738 -18.747 1.00 10.25 N ATOM 372 CA GLU A 26 7.972 21.119 -20.038 1.00 32.11 C ATOM 373 C GLU A 26 6.531 20.620 -20.107 1.00 43.33 C ATOM 374 O GLU A 26 5.871 20.739 -21.139 1.00 63.22 O ATOM 375 CB GLU A 26 8.937 19.958 -20.287 1.00 43.42 C ATOM 376 CG GLU A 26 9.322 19.205 -19.025 1.00 60.21 C ATOM 377 CD GLU A 26 9.640 17.746 -19.291 1.00 15.04 C ATOM 378 OE1 GLU A 26 8.784 17.049 -19.875 1.00 64.03 O ATOM 379 OE2 GLU A 26 10.744 17.302 -18.913 1.00 62.23 O ATOM 0 H GLU A 26 8.641 21.105 -18.051 1.00 10.25 H new ATOM 0 HA GLU A 26 8.115 21.874 -20.812 1.00 32.11 H new ATOM 0 HB2 GLU A 26 8.480 19.262 -20.990 1.00 43.42 H new ATOM 0 HB3 GLU A 26 9.840 20.343 -20.760 1.00 43.42 H new ATOM 0 HG2 GLU A 26 10.188 19.685 -18.570 1.00 60.21 H new ATOM 0 HG3 GLU A 26 8.507 19.270 -18.304 1.00 60.21 H new ATOM 386 N ALA A 27 6.051 20.062 -19.001 1.00 72.33 N ATOM 387 CA ALA A 27 4.689 19.546 -18.935 1.00 51.24 C ATOM 388 C ALA A 27 3.669 20.668 -19.097 1.00 51.12 C ATOM 389 O ALA A 27 2.578 20.457 -19.625 1.00 40.13 O ATOM 390 CB ALA A 27 4.465 18.812 -17.621 1.00 44.53 C ATOM 0 H ALA A 27 6.585 19.956 -18.138 1.00 72.33 H new ATOM 0 HA ALA A 27 4.553 18.844 -19.758 1.00 51.24 H new ATOM 0 HB1 ALA A 27 3.444 18.432 -17.586 1.00 44.53 H new ATOM 0 HB2 ALA A 27 5.165 17.980 -17.545 1.00 44.53 H new ATOM 0 HB3 ALA A 27 4.626 19.498 -16.789 1.00 44.53 H new ATOM 396 N GLY A 28 4.031 21.862 -18.638 1.00 3.30 N ATOM 397 CA GLY A 28 3.136 23.000 -18.741 1.00 33.54 C ATOM 398 C GLY A 28 2.224 23.130 -17.536 1.00 43.45 C ATOM 399 O GLY A 28 1.063 23.517 -17.666 1.00 54.02 O ATOM 0 H GLY A 28 4.929 22.062 -18.196 1.00 3.30 H new ATOM 0 HA2 GLY A 28 3.723 23.912 -18.849 1.00 33.54 H new ATOM 0 HA3 GLY A 28 2.531 22.902 -19.642 1.00 33.54 H new ATOM 403 N LYS A 29 2.750 22.806 -16.360 1.00 65.13 N ATOM 404 CA LYS A 29 1.977 22.888 -15.127 1.00 3.32 C ATOM 405 C LYS A 29 2.802 23.518 -14.009 1.00 21.23 C ATOM 406 O LYS A 29 4.032 23.504 -14.048 1.00 25.32 O ATOM 407 CB LYS A 29 1.504 21.496 -14.704 1.00 14.03 C ATOM 408 CG LYS A 29 2.632 20.575 -14.272 1.00 34.11 C ATOM 409 CD LYS A 29 2.157 19.138 -14.137 1.00 63.43 C ATOM 410 CE LYS A 29 1.321 18.712 -15.335 1.00 2.24 C ATOM 411 NZ LYS A 29 1.301 17.232 -15.500 1.00 5.35 N ATOM 0 H LYS A 29 3.710 22.484 -16.235 1.00 65.13 H new ATOM 0 HA LYS A 29 1.108 23.519 -15.313 1.00 3.32 H new ATOM 0 HB2 LYS A 29 0.794 21.597 -13.883 1.00 14.03 H new ATOM 0 HB3 LYS A 29 0.968 21.036 -15.534 1.00 14.03 H new ATOM 0 HG2 LYS A 29 3.442 20.625 -14.999 1.00 34.11 H new ATOM 0 HG3 LYS A 29 3.037 20.916 -13.319 1.00 34.11 H new ATOM 0 HD2 LYS A 29 3.018 18.477 -14.039 1.00 63.43 H new ATOM 0 HD3 LYS A 29 1.569 19.032 -13.225 1.00 63.43 H new ATOM 0 HE2 LYS A 29 0.301 19.078 -15.215 1.00 2.24 H new ATOM 0 HE3 LYS A 29 1.720 19.173 -16.239 1.00 2.24 H new ATOM 0 HZ1 LYS A 29 0.721 16.983 -16.327 1.00 5.35 H new ATOM 0 HZ2 LYS A 29 2.271 16.885 -15.640 1.00 5.35 H new ATOM 0 HZ3 LYS A 29 0.896 16.793 -14.648 1.00 5.35 H new ATOM 425 N VAL A 30 2.117 24.069 -13.012 1.00 35.41 N ATOM 426 CA VAL A 30 2.786 24.701 -11.881 1.00 71.24 C ATOM 427 C VAL A 30 3.490 23.666 -11.011 1.00 2.10 C ATOM 428 O VAL A 30 3.210 22.471 -11.099 1.00 31.40 O ATOM 429 CB VAL A 30 1.792 25.495 -11.013 1.00 41.02 C ATOM 430 CG1 VAL A 30 1.907 25.080 -9.554 1.00 44.42 C ATOM 431 CG2 VAL A 30 2.024 26.990 -11.171 1.00 10.20 C ATOM 0 H VAL A 30 1.098 24.090 -12.965 1.00 35.41 H new ATOM 0 HA VAL A 30 3.525 25.388 -12.294 1.00 71.24 H new ATOM 0 HB VAL A 30 0.780 25.270 -11.351 1.00 41.02 H new ATOM 0 HG11 VAL A 30 1.197 25.652 -8.956 1.00 44.42 H new ATOM 0 HG12 VAL A 30 1.687 24.017 -9.460 1.00 44.42 H new ATOM 0 HG13 VAL A 30 2.919 25.274 -9.199 1.00 44.42 H new ATOM 0 HG21 VAL A 30 1.313 27.536 -10.551 1.00 10.20 H new ATOM 0 HG22 VAL A 30 3.040 27.235 -10.861 1.00 10.20 H new ATOM 0 HG23 VAL A 30 1.886 27.271 -12.215 1.00 10.20 H new ATOM 441 N VAL A 31 4.407 24.134 -10.169 1.00 74.13 N ATOM 442 CA VAL A 31 5.151 23.250 -9.281 1.00 32.54 C ATOM 443 C VAL A 31 4.793 23.509 -7.821 1.00 45.15 C ATOM 444 O VAL A 31 4.568 24.652 -7.421 1.00 21.50 O ATOM 445 CB VAL A 31 6.671 23.419 -9.464 1.00 13.44 C ATOM 446 CG1 VAL A 31 7.424 22.738 -8.332 1.00 24.41 C ATOM 447 CG2 VAL A 31 7.109 22.871 -10.813 1.00 50.43 C ATOM 0 H VAL A 31 4.652 25.121 -10.084 1.00 74.13 H new ATOM 0 HA VAL A 31 4.873 22.230 -9.545 1.00 32.54 H new ATOM 0 HB VAL A 31 6.907 24.483 -9.436 1.00 13.44 H new ATOM 0 HG11 VAL A 31 8.496 22.868 -8.478 1.00 24.41 H new ATOM 0 HG12 VAL A 31 7.131 23.183 -7.381 1.00 24.41 H new ATOM 0 HG13 VAL A 31 7.185 21.675 -8.324 1.00 24.41 H new ATOM 0 HG21 VAL A 31 8.186 22.999 -10.925 1.00 50.43 H new ATOM 0 HG22 VAL A 31 6.861 21.811 -10.873 1.00 50.43 H new ATOM 0 HG23 VAL A 31 6.595 23.410 -11.609 1.00 50.43 H new ATOM 457 N ILE A 32 4.744 22.442 -7.031 1.00 60.14 N ATOM 458 CA ILE A 32 4.416 22.555 -5.616 1.00 34.32 C ATOM 459 C ILE A 32 5.260 21.600 -4.778 1.00 12.51 C ATOM 460 O ILE A 32 4.943 20.416 -4.660 1.00 2.43 O ATOM 461 CB ILE A 32 2.925 22.264 -5.359 1.00 2.33 C ATOM 462 CG1 ILE A 32 2.050 23.130 -6.268 1.00 23.12 C ATOM 463 CG2 ILE A 32 2.583 22.508 -3.897 1.00 34.14 C ATOM 464 CD1 ILE A 32 1.456 22.372 -7.435 1.00 4.24 C ATOM 0 H ILE A 32 4.927 21.490 -7.347 1.00 60.14 H new ATOM 0 HA ILE A 32 4.634 23.582 -5.323 1.00 34.32 H new ATOM 0 HB ILE A 32 2.729 21.217 -5.588 1.00 2.33 H new ATOM 0 HG12 ILE A 32 1.243 23.562 -5.677 1.00 23.12 H new ATOM 0 HG13 ILE A 32 2.645 23.960 -6.649 1.00 23.12 H new ATOM 0 HG21 ILE A 32 1.526 22.298 -3.731 1.00 34.14 H new ATOM 0 HG22 ILE A 32 3.186 21.853 -3.268 1.00 34.14 H new ATOM 0 HG23 ILE A 32 2.791 23.547 -3.643 1.00 34.14 H new ATOM 0 HD11 ILE A 32 0.848 23.048 -8.036 1.00 4.24 H new ATOM 0 HD12 ILE A 32 2.258 21.962 -8.049 1.00 4.24 H new ATOM 0 HD13 ILE A 32 0.833 21.559 -7.062 1.00 4.24 H new ATOM 476 N ILE A 33 6.334 22.124 -4.197 1.00 40.11 N ATOM 477 CA ILE A 33 7.222 21.319 -3.368 1.00 1.35 C ATOM 478 C ILE A 33 6.917 21.514 -1.886 1.00 71.22 C ATOM 479 O ILE A 33 6.858 22.642 -1.397 1.00 13.00 O ATOM 480 CB ILE A 33 8.701 21.665 -3.625 1.00 55.42 C ATOM 481 CG1 ILE A 33 8.881 22.204 -5.046 1.00 14.31 C ATOM 482 CG2 ILE A 33 9.578 20.443 -3.402 1.00 35.54 C ATOM 483 CD1 ILE A 33 8.840 23.714 -5.129 1.00 50.11 C ATOM 0 H ILE A 33 6.610 23.102 -4.285 1.00 40.11 H new ATOM 0 HA ILE A 33 7.048 20.278 -3.639 1.00 1.35 H new ATOM 0 HB ILE A 33 9.005 22.439 -2.921 1.00 55.42 H new ATOM 0 HG12 ILE A 33 9.834 21.852 -5.441 1.00 14.31 H new ATOM 0 HG13 ILE A 33 8.099 21.792 -5.684 1.00 14.31 H new ATOM 0 HG21 ILE A 33 10.620 20.704 -3.588 1.00 35.54 H new ATOM 0 HG22 ILE A 33 9.468 20.099 -2.374 1.00 35.54 H new ATOM 0 HG23 ILE A 33 9.276 19.649 -4.085 1.00 35.54 H new ATOM 0 HD11 ILE A 33 8.974 24.025 -6.165 1.00 50.11 H new ATOM 0 HD12 ILE A 33 7.877 24.072 -4.764 1.00 50.11 H new ATOM 0 HD13 ILE A 33 9.639 24.134 -4.518 1.00 50.11 H new ATOM 495 N ASP A 34 6.726 20.407 -1.177 1.00 75.11 N ATOM 496 CA ASP A 34 6.429 20.455 0.250 1.00 23.20 C ATOM 497 C ASP A 34 7.671 20.128 1.074 1.00 11.00 C ATOM 498 O ASP A 34 7.919 18.970 1.410 1.00 72.33 O ATOM 499 CB ASP A 34 5.303 19.478 0.592 1.00 64.30 C ATOM 500 CG ASP A 34 5.245 19.157 2.073 1.00 53.24 C ATOM 501 OD1 ASP A 34 5.555 20.052 2.887 1.00 43.24 O ATOM 502 OD2 ASP A 34 4.887 18.012 2.417 1.00 25.44 O ATOM 0 H ASP A 34 6.771 19.466 -1.567 1.00 75.11 H new ATOM 0 HA ASP A 34 6.108 21.467 0.495 1.00 23.20 H new ATOM 0 HB2 ASP A 34 4.350 19.902 0.278 1.00 64.30 H new ATOM 0 HB3 ASP A 34 5.443 18.556 0.028 1.00 64.30 H new ATOM 507 N PHE A 35 8.449 21.156 1.396 1.00 53.32 N ATOM 508 CA PHE A 35 9.666 20.978 2.179 1.00 40.53 C ATOM 509 C PHE A 35 9.347 20.413 3.559 1.00 31.54 C ATOM 510 O PHE A 35 8.253 19.899 3.796 1.00 54.43 O ATOM 511 CB PHE A 35 10.406 22.310 2.320 1.00 42.24 C ATOM 512 CG PHE A 35 11.224 22.672 1.113 1.00 23.10 C ATOM 513 CD1 PHE A 35 12.317 21.903 0.745 1.00 53.34 C ATOM 514 CD2 PHE A 35 10.901 23.780 0.347 1.00 55.00 C ATOM 515 CE1 PHE A 35 13.071 22.235 -0.365 1.00 25.52 C ATOM 516 CE2 PHE A 35 11.651 24.116 -0.764 1.00 24.01 C ATOM 517 CZ PHE A 35 12.738 23.341 -1.121 1.00 12.43 C ATOM 0 H PHE A 35 8.258 22.121 1.127 1.00 53.32 H new ATOM 0 HA PHE A 35 10.305 20.268 1.654 1.00 40.53 H new ATOM 0 HB2 PHE A 35 9.680 23.101 2.508 1.00 42.24 H new ATOM 0 HB3 PHE A 35 11.059 22.263 3.191 1.00 42.24 H new ATOM 0 HD1 PHE A 35 12.582 21.036 1.331 1.00 53.34 H new ATOM 0 HD2 PHE A 35 10.052 24.389 0.621 1.00 55.00 H new ATOM 0 HE1 PHE A 35 13.921 21.629 -0.641 1.00 25.52 H new ATOM 0 HE2 PHE A 35 11.388 24.983 -1.352 1.00 24.01 H new ATOM 0 HZ PHE A 35 13.326 23.600 -1.989 1.00 12.43 H new ATOM 527 N THR A 36 10.311 20.509 4.469 1.00 23.04 N ATOM 528 CA THR A 36 10.135 20.006 5.826 1.00 64.11 C ATOM 529 C THR A 36 11.479 19.821 6.522 1.00 33.51 C ATOM 530 O THR A 36 12.426 19.300 5.935 1.00 63.43 O ATOM 531 CB THR A 36 9.377 18.665 5.834 1.00 54.42 C ATOM 532 OG1 THR A 36 9.606 17.980 7.070 1.00 60.01 O ATOM 533 CG2 THR A 36 9.817 17.788 4.672 1.00 34.40 C ATOM 0 H THR A 36 11.222 20.931 4.291 1.00 23.04 H new ATOM 0 HA THR A 36 9.549 20.750 6.365 1.00 64.11 H new ATOM 0 HB THR A 36 8.312 18.874 5.728 1.00 54.42 H new ATOM 0 HG1 THR A 36 8.841 17.400 7.269 1.00 60.01 H new ATOM 0 HG21 THR A 36 9.268 16.847 4.698 1.00 34.40 H new ATOM 0 HG22 THR A 36 9.613 18.301 3.732 1.00 34.40 H new ATOM 0 HG23 THR A 36 10.885 17.587 4.752 1.00 34.40 H new ATOM 541 N ALA A 37 11.553 20.250 7.778 1.00 64.33 N ATOM 542 CA ALA A 37 12.781 20.128 8.555 1.00 55.21 C ATOM 543 C ALA A 37 13.082 18.669 8.880 1.00 1.32 C ATOM 544 O ALA A 37 14.070 18.109 8.406 1.00 4.12 O ATOM 545 CB ALA A 37 12.678 20.946 9.834 1.00 44.02 C ATOM 0 H ALA A 37 10.778 20.685 8.279 1.00 64.33 H new ATOM 0 HA ALA A 37 13.603 20.516 7.954 1.00 55.21 H new ATOM 0 HB1 ALA A 37 13.601 20.846 10.405 1.00 44.02 H new ATOM 0 HB2 ALA A 37 12.518 21.995 9.583 1.00 44.02 H new ATOM 0 HB3 ALA A 37 11.841 20.584 10.431 1.00 44.02 H new ATOM 551 N SER A 38 12.225 18.059 9.692 1.00 15.43 N ATOM 552 CA SER A 38 12.402 16.666 10.085 1.00 41.23 C ATOM 553 C SER A 38 11.139 16.123 10.746 1.00 2.03 C ATOM 554 O SER A 38 10.802 14.949 10.595 1.00 24.32 O ATOM 555 CB SER A 38 13.590 16.531 11.039 1.00 21.40 C ATOM 556 OG SER A 38 14.649 15.807 10.436 1.00 50.54 O ATOM 0 H SER A 38 11.400 18.508 10.091 1.00 15.43 H new ATOM 0 HA SER A 38 12.599 16.082 9.186 1.00 41.23 H new ATOM 0 HB2 SER A 38 13.941 17.521 11.330 1.00 21.40 H new ATOM 0 HB3 SER A 38 13.273 16.025 11.951 1.00 21.40 H new ATOM 0 HG SER A 38 14.875 16.215 9.574 1.00 50.54 H new ATOM 562 N TRP A 39 10.445 16.986 11.479 1.00 4.05 N ATOM 563 CA TRP A 39 9.219 16.594 12.165 1.00 62.30 C ATOM 564 C TRP A 39 7.997 16.880 11.300 1.00 74.40 C ATOM 565 O TRP A 39 7.040 16.105 11.286 1.00 35.45 O ATOM 566 CB TRP A 39 9.099 17.331 13.500 1.00 74.22 C ATOM 567 CG TRP A 39 10.364 17.315 14.303 1.00 13.23 C ATOM 568 CD1 TRP A 39 10.697 16.432 15.290 1.00 12.35 C ATOM 569 CD2 TRP A 39 11.463 18.226 14.189 1.00 72.31 C ATOM 570 NE1 TRP A 39 11.937 16.739 15.797 1.00 51.13 N ATOM 571 CE2 TRP A 39 12.428 17.834 15.137 1.00 2.52 C ATOM 572 CE3 TRP A 39 11.726 19.332 13.377 1.00 64.35 C ATOM 573 CZ2 TRP A 39 13.634 18.512 15.294 1.00 64.01 C ATOM 574 CZ3 TRP A 39 12.924 20.003 13.534 1.00 52.25 C ATOM 575 CH2 TRP A 39 13.866 19.591 14.485 1.00 1.44 C ATOM 0 H TRP A 39 10.710 17.962 11.614 1.00 4.05 H new ATOM 0 HA TRP A 39 9.264 15.521 12.354 1.00 62.30 H new ATOM 0 HB2 TRP A 39 8.810 18.365 13.311 1.00 74.22 H new ATOM 0 HB3 TRP A 39 8.299 16.878 14.086 1.00 74.22 H new ATOM 0 HD1 TRP A 39 10.077 15.613 15.623 1.00 12.35 H new ATOM 0 HE1 TRP A 39 12.414 16.233 16.543 1.00 51.13 H new ATOM 0 HE3 TRP A 39 11.006 19.657 12.640 1.00 64.35 H new ATOM 0 HZ2 TRP A 39 14.361 18.197 16.028 1.00 64.01 H new ATOM 0 HZ3 TRP A 39 13.137 20.860 12.912 1.00 52.25 H new ATOM 0 HH2 TRP A 39 14.794 20.136 14.582 1.00 1.44 H new ATOM 586 N CYS A 40 8.035 17.995 10.580 1.00 52.03 N ATOM 587 CA CYS A 40 6.929 18.383 9.712 1.00 55.02 C ATOM 588 C CYS A 40 5.784 18.980 10.524 1.00 41.51 C ATOM 589 O CYS A 40 5.387 20.125 10.308 1.00 60.43 O ATOM 590 CB CYS A 40 6.430 17.176 8.916 1.00 34.13 C ATOM 591 SG CYS A 40 7.722 15.983 8.497 1.00 32.45 S ATOM 0 H CYS A 40 8.820 18.647 10.580 1.00 52.03 H new ATOM 0 HA CYS A 40 7.293 19.141 9.019 1.00 55.02 H new ATOM 0 HB2 CYS A 40 5.656 16.669 9.492 1.00 34.13 H new ATOM 0 HB3 CYS A 40 5.964 17.529 7.996 1.00 34.13 H new ATOM 0 HG CYS A 40 7.868 15.140 9.476 1.00 32.45 H new ATOM 597 N GLY A 41 5.256 18.196 11.459 1.00 3.32 N ATOM 598 CA GLY A 41 4.161 18.664 12.288 1.00 2.43 C ATOM 599 C GLY A 41 3.015 17.674 12.349 1.00 25.21 C ATOM 600 O GLY A 41 3.089 16.648 13.025 1.00 22.52 O ATOM 0 H GLY A 41 5.567 17.245 11.657 1.00 3.32 H new ATOM 0 HA2 GLY A 41 4.528 18.852 13.297 1.00 2.43 H new ATOM 0 HA3 GLY A 41 3.796 19.614 11.899 1.00 2.43 H new ATOM 604 N PRO A 42 1.925 17.979 11.630 1.00 1.33 N ATOM 605 CA PRO A 42 0.737 17.121 11.590 1.00 64.01 C ATOM 606 C PRO A 42 0.989 15.819 10.837 1.00 34.24 C ATOM 607 O PRO A 42 0.724 14.732 11.353 1.00 24.01 O ATOM 608 CB PRO A 42 -0.293 17.976 10.849 1.00 14.41 C ATOM 609 CG PRO A 42 0.516 18.908 10.015 1.00 25.10 C ATOM 610 CD PRO A 42 1.768 19.186 10.801 1.00 12.01 C ATOM 0 HA PRO A 42 0.420 16.816 12.587 1.00 64.01 H new ATOM 0 HB2 PRO A 42 -0.948 17.360 10.232 1.00 14.41 H new ATOM 0 HB3 PRO A 42 -0.930 18.520 11.546 1.00 14.41 H new ATOM 0 HG2 PRO A 42 0.753 18.462 9.049 1.00 25.10 H new ATOM 0 HG3 PRO A 42 -0.032 19.829 9.815 1.00 25.10 H new ATOM 0 HD2 PRO A 42 2.627 19.339 10.148 1.00 12.01 H new ATOM 0 HD3 PRO A 42 1.668 20.083 11.412 1.00 12.01 H new ATOM 618 N CYS A 43 1.500 15.935 9.617 1.00 1.51 N ATOM 619 CA CYS A 43 1.787 14.766 8.793 1.00 12.42 C ATOM 620 C CYS A 43 0.753 13.670 9.027 1.00 20.31 C ATOM 621 O CYS A 43 1.061 12.482 8.928 1.00 34.31 O ATOM 622 CB CYS A 43 3.189 14.235 9.095 1.00 11.32 C ATOM 623 SG CYS A 43 4.047 13.556 7.656 1.00 73.22 S ATOM 0 H CYS A 43 1.724 16.827 9.176 1.00 1.51 H new ATOM 0 HA CYS A 43 1.739 15.068 7.747 1.00 12.42 H new ATOM 0 HB2 CYS A 43 3.789 15.042 9.515 1.00 11.32 H new ATOM 0 HB3 CYS A 43 3.116 13.461 9.859 1.00 11.32 H new ATOM 0 HG CYS A 43 5.224 13.135 8.012 1.00 73.22 H new ATOM 629 N ARG A 44 -0.473 14.076 9.339 1.00 11.43 N ATOM 630 CA ARG A 44 -1.552 13.128 9.590 1.00 3.24 C ATOM 631 C ARG A 44 -2.913 13.791 9.400 1.00 71.42 C ATOM 632 O ARG A 44 -3.785 13.256 8.714 1.00 44.33 O ATOM 633 CB ARG A 44 -1.442 12.562 11.007 1.00 31.22 C ATOM 634 CG ARG A 44 -0.540 11.342 11.107 1.00 12.45 C ATOM 635 CD ARG A 44 -1.130 10.288 12.030 1.00 33.44 C ATOM 636 NE ARG A 44 -0.144 9.280 12.411 1.00 10.12 N ATOM 637 CZ ARG A 44 -0.429 8.216 13.154 1.00 12.51 C ATOM 638 NH1 ARG A 44 -1.665 8.023 13.593 1.00 31.43 N ATOM 639 NH2 ARG A 44 0.523 7.344 13.459 1.00 71.23 N ATOM 0 H ARG A 44 -0.744 15.056 9.424 1.00 11.43 H new ATOM 0 HA ARG A 44 -1.461 12.313 8.872 1.00 3.24 H new ATOM 0 HB2 ARG A 44 -1.063 13.339 11.671 1.00 31.22 H new ATOM 0 HB3 ARG A 44 -2.438 12.297 11.362 1.00 31.22 H new ATOM 0 HG2 ARG A 44 -0.391 10.916 10.115 1.00 12.45 H new ATOM 0 HG3 ARG A 44 0.441 11.642 11.476 1.00 12.45 H new ATOM 0 HD2 ARG A 44 -1.521 10.769 12.926 1.00 33.44 H new ATOM 0 HD3 ARG A 44 -1.972 9.803 11.535 1.00 33.44 H new ATOM 0 HE ARG A 44 0.816 9.399 12.089 1.00 10.12 H new ATOM 0 HH11 ARG A 44 -2.399 8.692 13.360 1.00 31.43 H new ATOM 0 HH12 ARG A 44 -1.882 7.206 14.163 1.00 31.43 H new ATOM 0 HH21 ARG A 44 1.475 7.490 13.123 1.00 71.23 H new ATOM 0 HH22 ARG A 44 0.303 6.528 14.029 1.00 71.23 H new ATOM 653 N PHE A 45 -3.089 14.957 10.012 1.00 22.22 N ATOM 654 CA PHE A 45 -4.344 15.692 9.912 1.00 73.35 C ATOM 655 C PHE A 45 -4.575 16.182 8.485 1.00 63.20 C ATOM 656 O PHE A 45 -5.684 16.092 7.958 1.00 12.13 O ATOM 657 CB PHE A 45 -4.344 16.879 10.877 1.00 62.22 C ATOM 658 CG PHE A 45 -5.470 17.844 10.640 1.00 1.24 C ATOM 659 CD1 PHE A 45 -5.334 18.877 9.727 1.00 0.30 C ATOM 660 CD2 PHE A 45 -6.664 17.718 11.331 1.00 55.41 C ATOM 661 CE1 PHE A 45 -6.368 19.767 9.508 1.00 13.42 C ATOM 662 CE2 PHE A 45 -7.703 18.605 11.116 1.00 44.31 C ATOM 663 CZ PHE A 45 -7.555 19.631 10.203 1.00 65.44 C ATOM 0 H PHE A 45 -2.378 15.414 10.583 1.00 22.22 H new ATOM 0 HA PHE A 45 -5.155 15.015 10.181 1.00 73.35 H new ATOM 0 HB2 PHE A 45 -4.405 16.506 11.899 1.00 62.22 H new ATOM 0 HB3 PHE A 45 -3.396 17.410 10.787 1.00 62.22 H new ATOM 0 HD1 PHE A 45 -4.409 18.988 9.180 1.00 0.30 H new ATOM 0 HD2 PHE A 45 -6.785 16.918 12.046 1.00 55.41 H new ATOM 0 HE1 PHE A 45 -6.249 20.569 8.794 1.00 13.42 H new ATOM 0 HE2 PHE A 45 -8.629 18.496 11.661 1.00 44.31 H new ATOM 0 HZ PHE A 45 -8.365 20.325 10.033 1.00 65.44 H new ATOM 673 N ILE A 46 -3.519 16.700 7.866 1.00 14.43 N ATOM 674 CA ILE A 46 -3.606 17.204 6.501 1.00 0.23 C ATOM 675 C ILE A 46 -2.973 16.229 5.514 1.00 15.12 C ATOM 676 O ILE A 46 -2.805 16.544 4.337 1.00 42.14 O ATOM 677 CB ILE A 46 -2.919 18.576 6.363 1.00 63.53 C ATOM 678 CG1 ILE A 46 -3.528 19.360 5.199 1.00 45.22 C ATOM 679 CG2 ILE A 46 -1.421 18.399 6.164 1.00 43.51 C ATOM 680 CD1 ILE A 46 -3.446 20.861 5.373 1.00 23.52 C ATOM 0 H ILE A 46 -2.594 16.782 8.288 1.00 14.43 H new ATOM 0 HA ILE A 46 -4.666 17.313 6.271 1.00 0.23 H new ATOM 0 HB ILE A 46 -3.080 19.142 7.281 1.00 63.53 H new ATOM 0 HG12 ILE A 46 -3.018 19.081 4.277 1.00 45.22 H new ATOM 0 HG13 ILE A 46 -4.573 19.072 5.085 1.00 45.22 H new ATOM 0 HG21 ILE A 46 -0.949 19.377 6.068 1.00 43.51 H new ATOM 0 HG22 ILE A 46 -0.999 17.875 7.022 1.00 43.51 H new ATOM 0 HG23 ILE A 46 -1.240 17.818 5.259 1.00 43.51 H new ATOM 0 HD11 ILE A 46 -3.897 21.352 4.511 1.00 23.52 H new ATOM 0 HD12 ILE A 46 -3.981 21.152 6.277 1.00 23.52 H new ATOM 0 HD13 ILE A 46 -2.401 21.161 5.457 1.00 23.52 H new ATOM 692 N ALA A 47 -2.627 15.043 6.003 1.00 70.44 N ATOM 693 CA ALA A 47 -2.017 14.019 5.163 1.00 42.42 C ATOM 694 C ALA A 47 -2.895 13.704 3.957 1.00 61.33 C ATOM 695 O ALA A 47 -2.462 13.778 2.807 1.00 64.44 O ATOM 696 CB ALA A 47 -1.756 12.758 5.973 1.00 52.21 C ATOM 0 H ALA A 47 -2.759 14.767 6.976 1.00 70.44 H new ATOM 0 HA ALA A 47 -1.066 14.404 4.796 1.00 42.42 H new ATOM 0 HB1 ALA A 47 -1.301 12.002 5.333 1.00 52.21 H new ATOM 0 HB2 ALA A 47 -1.082 12.989 6.798 1.00 52.21 H new ATOM 0 HB3 ALA A 47 -2.698 12.378 6.369 1.00 52.21 H new ATOM 702 N PRO A 48 -4.159 13.342 4.222 1.00 0.44 N ATOM 703 CA PRO A 48 -5.124 13.008 3.171 1.00 33.11 C ATOM 704 C PRO A 48 -5.541 14.228 2.357 1.00 44.02 C ATOM 705 O PRO A 48 -6.403 14.139 1.483 1.00 62.24 O ATOM 706 CB PRO A 48 -6.319 12.452 3.950 1.00 22.12 C ATOM 707 CG PRO A 48 -6.214 13.075 5.299 1.00 32.14 C ATOM 708 CD PRO A 48 -4.743 13.233 5.570 1.00 54.15 C ATOM 0 HA PRO A 48 -4.709 12.310 2.444 1.00 33.11 H new ATOM 0 HB2 PRO A 48 -7.261 12.710 3.467 1.00 22.12 H new ATOM 0 HB3 PRO A 48 -6.280 11.364 4.012 1.00 22.12 H new ATOM 0 HG2 PRO A 48 -6.721 14.040 5.324 1.00 32.14 H new ATOM 0 HG3 PRO A 48 -6.685 12.448 6.056 1.00 32.14 H new ATOM 0 HD2 PRO A 48 -4.538 14.119 6.170 1.00 54.15 H new ATOM 0 HD3 PRO A 48 -4.340 12.379 6.115 1.00 54.15 H new ATOM 716 N VAL A 49 -4.922 15.368 2.649 1.00 35.01 N ATOM 717 CA VAL A 49 -5.228 16.606 1.943 1.00 40.33 C ATOM 718 C VAL A 49 -4.203 16.881 0.848 1.00 55.42 C ATOM 719 O VAL A 49 -4.562 17.170 -0.294 1.00 63.54 O ATOM 720 CB VAL A 49 -5.268 17.807 2.907 1.00 50.05 C ATOM 721 CG1 VAL A 49 -5.048 19.108 2.149 1.00 23.50 C ATOM 722 CG2 VAL A 49 -6.587 17.838 3.663 1.00 12.35 C ATOM 0 H VAL A 49 -4.206 15.459 3.370 1.00 35.01 H new ATOM 0 HA VAL A 49 -6.212 16.479 1.492 1.00 40.33 H new ATOM 0 HB VAL A 49 -4.462 17.696 3.632 1.00 50.05 H new ATOM 0 HG11 VAL A 49 -5.080 19.945 2.846 1.00 23.50 H new ATOM 0 HG12 VAL A 49 -4.076 19.082 1.657 1.00 23.50 H new ATOM 0 HG13 VAL A 49 -5.831 19.230 1.400 1.00 23.50 H new ATOM 0 HG21 VAL A 49 -6.599 18.693 4.340 1.00 12.35 H new ATOM 0 HG22 VAL A 49 -7.411 17.925 2.954 1.00 12.35 H new ATOM 0 HG23 VAL A 49 -6.699 16.919 4.238 1.00 12.35 H new ATOM 732 N PHE A 50 -2.926 16.790 1.204 1.00 54.34 N ATOM 733 CA PHE A 50 -1.848 17.030 0.251 1.00 34.12 C ATOM 734 C PHE A 50 -1.881 16.003 -0.877 1.00 20.12 C ATOM 735 O PHE A 50 -2.235 16.322 -2.011 1.00 54.12 O ATOM 736 CB PHE A 50 -0.493 16.983 0.960 1.00 32.20 C ATOM 737 CG PHE A 50 -0.366 17.978 2.077 1.00 12.54 C ATOM 738 CD1 PHE A 50 -1.254 19.037 2.184 1.00 22.01 C ATOM 739 CD2 PHE A 50 0.641 17.856 3.021 1.00 43.23 C ATOM 740 CE1 PHE A 50 -1.140 19.955 3.211 1.00 20.23 C ATOM 741 CE2 PHE A 50 0.760 18.771 4.050 1.00 32.43 C ATOM 742 CZ PHE A 50 -0.131 19.822 4.145 1.00 31.20 C ATOM 0 H PHE A 50 -2.612 16.552 2.145 1.00 54.34 H new ATOM 0 HA PHE A 50 -1.991 18.021 -0.180 1.00 34.12 H new ATOM 0 HB2 PHE A 50 -0.335 15.980 1.357 1.00 32.20 H new ATOM 0 HB3 PHE A 50 0.296 17.165 0.231 1.00 32.20 H new ATOM 0 HD1 PHE A 50 -2.044 19.146 1.456 1.00 22.01 H new ATOM 0 HD2 PHE A 50 1.341 17.036 2.952 1.00 43.23 H new ATOM 0 HE1 PHE A 50 -1.839 20.775 3.283 1.00 20.23 H new ATOM 0 HE2 PHE A 50 1.549 18.664 4.779 1.00 32.43 H new ATOM 0 HZ PHE A 50 -0.039 20.538 4.948 1.00 31.20 H new ATOM 752 N ALA A 51 -1.508 14.768 -0.556 1.00 1.41 N ATOM 753 CA ALA A 51 -1.495 13.694 -1.541 1.00 35.24 C ATOM 754 C ALA A 51 -2.768 13.704 -2.380 1.00 52.05 C ATOM 755 O ALA A 51 -2.712 13.644 -3.608 1.00 54.42 O ATOM 756 CB ALA A 51 -1.327 12.348 -0.851 1.00 64.01 C ATOM 0 H ALA A 51 -1.211 14.487 0.378 1.00 1.41 H new ATOM 0 HA ALA A 51 -0.649 13.857 -2.209 1.00 35.24 H new ATOM 0 HB1 ALA A 51 -1.319 11.555 -1.598 1.00 64.01 H new ATOM 0 HB2 ALA A 51 -0.387 12.337 -0.300 1.00 64.01 H new ATOM 0 HB3 ALA A 51 -2.155 12.187 -0.160 1.00 64.01 H new ATOM 762 N GLU A 52 -3.914 13.779 -1.710 1.00 3.20 N ATOM 763 CA GLU A 52 -5.200 13.795 -2.396 1.00 51.53 C ATOM 764 C GLU A 52 -5.331 15.034 -3.278 1.00 43.11 C ATOM 765 O GLU A 52 -5.985 15.001 -4.321 1.00 22.03 O ATOM 766 CB GLU A 52 -6.345 13.755 -1.382 1.00 0.20 C ATOM 767 CG GLU A 52 -6.907 15.126 -1.044 1.00 75.42 C ATOM 768 CD GLU A 52 -8.135 15.050 -0.157 1.00 4.04 C ATOM 769 OE1 GLU A 52 -9.055 14.271 -0.483 1.00 23.13 O ATOM 770 OE2 GLU A 52 -8.175 15.769 0.863 1.00 13.51 O ATOM 0 H GLU A 52 -3.978 13.830 -0.693 1.00 3.20 H new ATOM 0 HA GLU A 52 -5.255 12.910 -3.031 1.00 51.53 H new ATOM 0 HB2 GLU A 52 -7.146 13.130 -1.776 1.00 0.20 H new ATOM 0 HB3 GLU A 52 -5.992 13.281 -0.466 1.00 0.20 H new ATOM 0 HG2 GLU A 52 -6.139 15.717 -0.545 1.00 75.42 H new ATOM 0 HG3 GLU A 52 -7.161 15.648 -1.966 1.00 75.42 H new ATOM 777 N TYR A 53 -4.704 16.125 -2.852 1.00 13.03 N ATOM 778 CA TYR A 53 -4.752 17.376 -3.600 1.00 33.41 C ATOM 779 C TYR A 53 -3.938 17.273 -4.886 1.00 72.41 C ATOM 780 O TYR A 53 -4.386 17.693 -5.952 1.00 45.44 O ATOM 781 CB TYR A 53 -4.228 18.528 -2.742 1.00 4.11 C ATOM 782 CG TYR A 53 -5.268 19.116 -1.816 1.00 12.02 C ATOM 783 CD1 TYR A 53 -6.479 18.470 -1.599 1.00 62.31 C ATOM 784 CD2 TYR A 53 -5.040 20.318 -1.157 1.00 30.24 C ATOM 785 CE1 TYR A 53 -7.432 19.004 -0.754 1.00 75.25 C ATOM 786 CE2 TYR A 53 -5.987 20.859 -0.309 1.00 34.40 C ATOM 787 CZ TYR A 53 -7.182 20.198 -0.112 1.00 11.24 C ATOM 788 OH TYR A 53 -8.129 20.733 0.732 1.00 70.23 O ATOM 0 H TYR A 53 -4.156 16.168 -1.993 1.00 13.03 H new ATOM 0 HA TYR A 53 -5.791 17.572 -3.864 1.00 33.41 H new ATOM 0 HB2 TYR A 53 -3.385 18.174 -2.149 1.00 4.11 H new ATOM 0 HB3 TYR A 53 -3.850 19.314 -3.396 1.00 4.11 H new ATOM 0 HD1 TYR A 53 -6.678 17.534 -2.100 1.00 62.31 H new ATOM 0 HD2 TYR A 53 -4.106 20.838 -1.310 1.00 30.24 H new ATOM 0 HE1 TYR A 53 -8.368 18.489 -0.597 1.00 75.25 H new ATOM 0 HE2 TYR A 53 -5.793 21.793 0.197 1.00 34.40 H new ATOM 0 HH TYR A 53 -8.651 20.010 1.138 1.00 70.23 H new ATOM 798 N ALA A 54 -2.740 16.709 -4.776 1.00 63.23 N ATOM 799 CA ALA A 54 -1.863 16.547 -5.930 1.00 10.14 C ATOM 800 C ALA A 54 -2.642 16.060 -7.147 1.00 44.30 C ATOM 801 O ALA A 54 -2.445 16.550 -8.260 1.00 23.35 O ATOM 802 CB ALA A 54 -0.733 15.582 -5.603 1.00 33.25 C ATOM 0 H ALA A 54 -2.354 16.357 -3.900 1.00 63.23 H new ATOM 0 HA ALA A 54 -1.436 17.521 -6.170 1.00 10.14 H new ATOM 0 HB1 ALA A 54 -0.086 15.471 -6.473 1.00 33.25 H new ATOM 0 HB2 ALA A 54 -0.152 15.972 -4.767 1.00 33.25 H new ATOM 0 HB3 ALA A 54 -1.150 14.611 -5.334 1.00 33.25 H new ATOM 808 N LYS A 55 -3.526 15.093 -6.930 1.00 14.23 N ATOM 809 CA LYS A 55 -4.336 14.540 -8.009 1.00 20.54 C ATOM 810 C LYS A 55 -5.501 15.465 -8.344 1.00 75.41 C ATOM 811 O LYS A 55 -5.818 15.683 -9.514 1.00 4.02 O ATOM 812 CB LYS A 55 -4.864 13.157 -7.620 1.00 30.22 C ATOM 813 CG LYS A 55 -3.791 12.224 -7.085 1.00 11.32 C ATOM 814 CD LYS A 55 -4.393 11.088 -6.275 1.00 2.45 C ATOM 815 CE LYS A 55 -5.309 10.222 -7.125 1.00 32.12 C ATOM 816 NZ LYS A 55 -4.601 9.027 -7.662 1.00 34.34 N ATOM 0 H LYS A 55 -3.700 14.675 -6.016 1.00 14.23 H new ATOM 0 HA LYS A 55 -3.705 14.446 -8.893 1.00 20.54 H new ATOM 0 HB2 LYS A 55 -5.642 13.273 -6.865 1.00 30.22 H new ATOM 0 HB3 LYS A 55 -5.332 12.698 -8.491 1.00 30.22 H new ATOM 0 HG2 LYS A 55 -3.216 11.815 -7.916 1.00 11.32 H new ATOM 0 HG3 LYS A 55 -3.095 12.787 -6.463 1.00 11.32 H new ATOM 0 HD2 LYS A 55 -3.595 10.474 -5.858 1.00 2.45 H new ATOM 0 HD3 LYS A 55 -4.954 11.497 -5.434 1.00 2.45 H new ATOM 0 HE2 LYS A 55 -6.162 9.901 -6.528 1.00 32.12 H new ATOM 0 HE3 LYS A 55 -5.703 10.813 -7.952 1.00 32.12 H new ATOM 0 HZ1 LYS A 55 -5.259 8.462 -8.236 1.00 34.34 H new ATOM 0 HZ2 LYS A 55 -3.802 9.333 -8.253 1.00 34.34 H new ATOM 0 HZ3 LYS A 55 -4.247 8.450 -6.873 1.00 34.34 H new ATOM 830 N LYS A 56 -6.137 16.007 -7.311 1.00 4.12 N ATOM 831 CA LYS A 56 -7.266 16.911 -7.495 1.00 44.20 C ATOM 832 C LYS A 56 -6.893 18.065 -8.420 1.00 51.33 C ATOM 833 O LYS A 56 -7.751 18.633 -9.097 1.00 64.35 O ATOM 834 CB LYS A 56 -7.734 17.457 -6.144 1.00 42.32 C ATOM 835 CG LYS A 56 -8.389 16.411 -5.259 1.00 54.15 C ATOM 836 CD LYS A 56 -9.774 16.848 -4.811 1.00 41.22 C ATOM 837 CE LYS A 56 -9.737 18.211 -4.137 1.00 11.01 C ATOM 838 NZ LYS A 56 -10.945 18.448 -3.299 1.00 52.22 N ATOM 0 H LYS A 56 -5.889 15.836 -6.336 1.00 4.12 H new ATOM 0 HA LYS A 56 -8.079 16.349 -7.954 1.00 44.20 H new ATOM 0 HB2 LYS A 56 -6.879 17.882 -5.618 1.00 42.32 H new ATOM 0 HB3 LYS A 56 -8.440 18.270 -6.315 1.00 42.32 H new ATOM 0 HG2 LYS A 56 -8.462 15.468 -5.801 1.00 54.15 H new ATOM 0 HG3 LYS A 56 -7.763 16.229 -4.385 1.00 54.15 H new ATOM 0 HD2 LYS A 56 -10.441 16.885 -5.672 1.00 41.22 H new ATOM 0 HD3 LYS A 56 -10.184 16.111 -4.121 1.00 41.22 H new ATOM 0 HE2 LYS A 56 -8.844 18.285 -3.516 1.00 11.01 H new ATOM 0 HE3 LYS A 56 -9.663 18.990 -4.896 1.00 11.01 H new ATOM 0 HZ1 LYS A 56 -10.882 19.387 -2.857 1.00 52.22 H new ATOM 0 HZ2 LYS A 56 -11.796 18.403 -3.896 1.00 52.22 H new ATOM 0 HZ3 LYS A 56 -11.002 17.720 -2.559 1.00 52.22 H new ATOM 852 N PHE A 57 -5.609 18.407 -8.445 1.00 71.23 N ATOM 853 CA PHE A 57 -5.123 19.493 -9.288 1.00 53.13 C ATOM 854 C PHE A 57 -4.172 18.967 -10.359 1.00 22.21 C ATOM 855 O PHE A 57 -2.960 18.880 -10.160 1.00 41.30 O ATOM 856 CB PHE A 57 -4.417 20.551 -8.437 1.00 61.54 C ATOM 857 CG PHE A 57 -5.346 21.591 -7.881 1.00 33.01 C ATOM 858 CD1 PHE A 57 -5.957 21.406 -6.651 1.00 54.31 C ATOM 859 CD2 PHE A 57 -5.608 22.754 -8.587 1.00 73.21 C ATOM 860 CE1 PHE A 57 -6.814 22.362 -6.137 1.00 64.23 C ATOM 861 CE2 PHE A 57 -6.463 23.713 -8.078 1.00 54.11 C ATOM 862 CZ PHE A 57 -7.066 23.517 -6.851 1.00 0.20 C ATOM 0 H PHE A 57 -4.886 17.948 -7.891 1.00 71.23 H new ATOM 0 HA PHE A 57 -5.982 19.948 -9.782 1.00 53.13 H new ATOM 0 HB2 PHE A 57 -3.902 20.058 -7.613 1.00 61.54 H new ATOM 0 HB3 PHE A 57 -3.655 21.042 -9.041 1.00 61.54 H new ATOM 0 HD1 PHE A 57 -5.762 20.505 -6.088 1.00 54.31 H new ATOM 0 HD2 PHE A 57 -5.138 22.913 -9.547 1.00 73.21 H new ATOM 0 HE1 PHE A 57 -7.286 22.206 -5.178 1.00 64.23 H new ATOM 0 HE2 PHE A 57 -6.659 24.615 -8.639 1.00 54.11 H new ATOM 0 HZ PHE A 57 -7.733 24.266 -6.451 1.00 0.20 H new ATOM 872 N PRO A 58 -4.733 18.606 -11.523 1.00 22.15 N ATOM 873 CA PRO A 58 -3.954 18.082 -12.648 1.00 64.21 C ATOM 874 C PRO A 58 -3.074 19.149 -13.291 1.00 23.33 C ATOM 875 O PRO A 58 -2.278 18.857 -14.182 1.00 72.45 O ATOM 876 CB PRO A 58 -5.026 17.609 -13.633 1.00 12.14 C ATOM 877 CG PRO A 58 -6.225 18.433 -13.311 1.00 41.22 C ATOM 878 CD PRO A 58 -6.171 18.682 -11.829 1.00 51.12 C ATOM 0 HA PRO A 58 -3.266 17.296 -12.336 1.00 64.21 H new ATOM 0 HB2 PRO A 58 -4.709 17.758 -14.665 1.00 12.14 H new ATOM 0 HB3 PRO A 58 -5.232 16.545 -13.513 1.00 12.14 H new ATOM 0 HG2 PRO A 58 -6.214 19.372 -13.865 1.00 41.22 H new ATOM 0 HG3 PRO A 58 -7.142 17.912 -13.586 1.00 41.22 H new ATOM 0 HD2 PRO A 58 -6.586 19.656 -11.570 1.00 51.12 H new ATOM 0 HD3 PRO A 58 -6.740 17.935 -11.275 1.00 51.12 H new ATOM 886 N GLY A 59 -3.222 20.388 -12.831 1.00 31.51 N ATOM 887 CA GLY A 59 -2.434 21.479 -13.373 1.00 2.15 C ATOM 888 C GLY A 59 -1.144 21.699 -12.607 1.00 33.43 C ATOM 889 O GLY A 59 -0.547 22.772 -12.678 1.00 15.41 O ATOM 0 H GLY A 59 -3.873 20.655 -12.093 1.00 31.51 H new ATOM 0 HA2 GLY A 59 -2.202 21.271 -14.418 1.00 2.15 H new ATOM 0 HA3 GLY A 59 -3.025 22.395 -13.354 1.00 2.15 H new ATOM 893 N ALA A 60 -0.714 20.679 -11.871 1.00 11.13 N ATOM 894 CA ALA A 60 0.513 20.766 -11.089 1.00 31.34 C ATOM 895 C ALA A 60 1.183 19.401 -10.966 1.00 10.43 C ATOM 896 O ALA A 60 0.568 18.370 -11.236 1.00 32.33 O ATOM 897 CB ALA A 60 0.221 21.338 -9.710 1.00 14.43 C ATOM 0 H ALA A 60 -1.197 19.783 -11.800 1.00 11.13 H new ATOM 0 HA ALA A 60 1.199 21.434 -11.609 1.00 31.34 H new ATOM 0 HB1 ALA A 60 1.146 21.397 -9.137 1.00 14.43 H new ATOM 0 HB2 ALA A 60 -0.206 22.335 -9.813 1.00 14.43 H new ATOM 0 HB3 ALA A 60 -0.487 20.692 -9.190 1.00 14.43 H new ATOM 903 N VAL A 61 2.448 19.403 -10.557 1.00 51.00 N ATOM 904 CA VAL A 61 3.202 18.165 -10.398 1.00 54.10 C ATOM 905 C VAL A 61 3.199 17.703 -8.945 1.00 61.02 C ATOM 906 O VAL A 61 3.154 16.505 -8.664 1.00 13.35 O ATOM 907 CB VAL A 61 4.658 18.330 -10.870 1.00 43.32 C ATOM 908 CG1 VAL A 61 4.708 18.583 -12.369 1.00 45.52 C ATOM 909 CG2 VAL A 61 5.341 19.456 -10.108 1.00 14.21 C ATOM 0 H VAL A 61 2.972 20.248 -10.330 1.00 51.00 H new ATOM 0 HA VAL A 61 2.711 17.414 -11.016 1.00 54.10 H new ATOM 0 HB VAL A 61 5.195 17.404 -10.664 1.00 43.32 H new ATOM 0 HG11 VAL A 61 5.745 18.697 -12.684 1.00 45.52 H new ATOM 0 HG12 VAL A 61 4.259 17.741 -12.895 1.00 45.52 H new ATOM 0 HG13 VAL A 61 4.155 19.493 -12.603 1.00 45.52 H new ATOM 0 HG21 VAL A 61 6.369 19.558 -10.455 1.00 14.21 H new ATOM 0 HG22 VAL A 61 4.805 20.389 -10.281 1.00 14.21 H new ATOM 0 HG23 VAL A 61 5.338 19.228 -9.042 1.00 14.21 H new ATOM 919 N PHE A 62 3.248 18.661 -8.025 1.00 73.23 N ATOM 920 CA PHE A 62 3.251 18.352 -6.600 1.00 45.40 C ATOM 921 C PHE A 62 4.433 17.456 -6.241 1.00 33.23 C ATOM 922 O PHE A 62 4.927 16.697 -7.075 1.00 61.43 O ATOM 923 CB PHE A 62 1.940 17.673 -6.200 1.00 64.52 C ATOM 924 CG PHE A 62 0.744 18.576 -6.293 1.00 71.25 C ATOM 925 CD1 PHE A 62 0.091 18.760 -7.502 1.00 1.35 C ATOM 926 CD2 PHE A 62 0.273 19.241 -5.173 1.00 75.10 C ATOM 927 CE1 PHE A 62 -1.010 19.590 -7.591 1.00 15.52 C ATOM 928 CE2 PHE A 62 -0.829 20.072 -5.256 1.00 64.11 C ATOM 929 CZ PHE A 62 -1.470 20.248 -6.467 1.00 32.14 C ATOM 0 H PHE A 62 3.286 19.657 -8.241 1.00 73.23 H new ATOM 0 HA PHE A 62 3.348 19.288 -6.051 1.00 45.40 H new ATOM 0 HB2 PHE A 62 1.780 16.805 -6.839 1.00 64.52 H new ATOM 0 HB3 PHE A 62 2.028 17.304 -5.178 1.00 64.52 H new ATOM 0 HD1 PHE A 62 0.447 18.249 -8.384 1.00 1.35 H new ATOM 0 HD2 PHE A 62 0.772 19.109 -4.224 1.00 75.10 H new ATOM 0 HE1 PHE A 62 -1.511 19.724 -8.539 1.00 15.52 H new ATOM 0 HE2 PHE A 62 -1.188 20.583 -4.375 1.00 64.11 H new ATOM 0 HZ PHE A 62 -2.329 20.899 -6.535 1.00 32.14 H new ATOM 939 N LEU A 63 4.881 17.549 -4.994 1.00 13.43 N ATOM 940 CA LEU A 63 6.005 16.748 -4.522 1.00 75.42 C ATOM 941 C LEU A 63 6.463 17.210 -3.143 1.00 41.51 C ATOM 942 O LEU A 63 6.357 18.390 -2.805 1.00 22.42 O ATOM 943 CB LEU A 63 7.167 16.830 -5.513 1.00 52.42 C ATOM 944 CG LEU A 63 8.569 16.702 -4.916 1.00 34.51 C ATOM 945 CD1 LEU A 63 9.169 15.345 -5.251 1.00 40.24 C ATOM 946 CD2 LEU A 63 9.467 17.823 -5.417 1.00 11.13 C ATOM 0 H LEU A 63 4.483 18.172 -4.291 1.00 13.43 H new ATOM 0 HA LEU A 63 5.674 15.712 -4.445 1.00 75.42 H new ATOM 0 HB2 LEU A 63 7.038 16.045 -6.259 1.00 52.42 H new ATOM 0 HB3 LEU A 63 7.103 17.783 -6.039 1.00 52.42 H new ATOM 0 HG LEU A 63 8.491 16.784 -3.832 1.00 34.51 H new ATOM 0 HD11 LEU A 63 10.167 15.271 -4.818 1.00 40.24 H new ATOM 0 HD12 LEU A 63 8.537 14.557 -4.842 1.00 40.24 H new ATOM 0 HD13 LEU A 63 9.234 15.233 -6.333 1.00 40.24 H new ATOM 0 HD21 LEU A 63 10.460 17.715 -4.982 1.00 11.13 H new ATOM 0 HD22 LEU A 63 9.540 17.773 -6.503 1.00 11.13 H new ATOM 0 HD23 LEU A 63 9.045 18.785 -5.125 1.00 11.13 H new ATOM 958 N LYS A 64 6.975 16.275 -2.351 1.00 22.13 N ATOM 959 CA LYS A 64 7.454 16.586 -1.009 1.00 61.01 C ATOM 960 C LYS A 64 8.908 16.156 -0.837 1.00 55.40 C ATOM 961 O LYS A 64 9.284 15.044 -1.205 1.00 22.42 O ATOM 962 CB LYS A 64 6.579 15.895 0.040 1.00 45.42 C ATOM 963 CG LYS A 64 7.370 15.088 1.055 1.00 50.12 C ATOM 964 CD LYS A 64 6.455 14.269 1.950 1.00 4.11 C ATOM 965 CE LYS A 64 5.382 13.553 1.145 1.00 62.14 C ATOM 966 NZ LYS A 64 4.790 12.414 1.899 1.00 14.14 N ATOM 0 H LYS A 64 7.069 15.294 -2.615 1.00 22.13 H new ATOM 0 HA LYS A 64 7.394 17.665 -0.870 1.00 61.01 H new ATOM 0 HB2 LYS A 64 5.992 16.649 0.565 1.00 45.42 H new ATOM 0 HB3 LYS A 64 5.873 15.236 -0.465 1.00 45.42 H new ATOM 0 HG2 LYS A 64 8.061 14.425 0.535 1.00 50.12 H new ATOM 0 HG3 LYS A 64 7.972 15.760 1.666 1.00 50.12 H new ATOM 0 HD2 LYS A 64 7.045 13.538 2.503 1.00 4.11 H new ATOM 0 HD3 LYS A 64 5.985 14.922 2.686 1.00 4.11 H new ATOM 0 HE2 LYS A 64 4.596 14.260 0.878 1.00 62.14 H new ATOM 0 HE3 LYS A 64 5.811 13.187 0.212 1.00 62.14 H new ATOM 0 HZ1 LYS A 64 4.063 11.952 1.316 1.00 14.14 H new ATOM 0 HZ2 LYS A 64 5.535 11.727 2.132 1.00 14.14 H new ATOM 0 HZ3 LYS A 64 4.358 12.766 2.777 1.00 14.14 H new ATOM 980 N VAL A 65 9.720 17.045 -0.274 1.00 40.43 N ATOM 981 CA VAL A 65 11.132 16.757 -0.051 1.00 53.00 C ATOM 982 C VAL A 65 11.525 17.024 1.398 1.00 53.24 C ATOM 983 O VAL A 65 10.772 17.640 2.152 1.00 33.24 O ATOM 984 CB VAL A 65 12.030 17.597 -0.978 1.00 53.24 C ATOM 985 CG1 VAL A 65 11.254 18.051 -2.206 1.00 21.14 C ATOM 986 CG2 VAL A 65 12.602 18.790 -0.228 1.00 14.42 C ATOM 0 H VAL A 65 9.424 17.971 0.036 1.00 40.43 H new ATOM 0 HA VAL A 65 11.279 15.701 -0.276 1.00 53.00 H new ATOM 0 HB VAL A 65 12.860 16.975 -1.312 1.00 53.24 H new ATOM 0 HG11 VAL A 65 11.905 18.643 -2.849 1.00 21.14 H new ATOM 0 HG12 VAL A 65 10.898 17.179 -2.754 1.00 21.14 H new ATOM 0 HG13 VAL A 65 10.403 18.657 -1.895 1.00 21.14 H new ATOM 0 HG21 VAL A 65 13.234 19.372 -0.898 1.00 14.42 H new ATOM 0 HG22 VAL A 65 11.787 19.415 0.137 1.00 14.42 H new ATOM 0 HG23 VAL A 65 13.195 18.439 0.616 1.00 14.42 H new ATOM 996 N ASP A 66 12.708 16.558 1.779 1.00 25.41 N ATOM 997 CA ASP A 66 13.203 16.747 3.138 1.00 44.43 C ATOM 998 C ASP A 66 14.427 17.658 3.148 1.00 24.30 C ATOM 999 O ASP A 66 15.432 17.372 2.496 1.00 11.20 O ATOM 1000 CB ASP A 66 13.550 15.399 3.770 1.00 21.41 C ATOM 1001 CG ASP A 66 13.498 15.439 5.285 1.00 72.33 C ATOM 1002 OD1 ASP A 66 12.609 16.126 5.830 1.00 1.30 O ATOM 1003 OD2 ASP A 66 14.345 14.782 5.925 1.00 70.33 O ATOM 0 H ASP A 66 13.343 16.046 1.166 1.00 25.41 H new ATOM 0 HA ASP A 66 12.415 17.221 3.723 1.00 44.43 H new ATOM 0 HB2 ASP A 66 12.857 14.641 3.406 1.00 21.41 H new ATOM 0 HB3 ASP A 66 14.548 15.098 3.451 1.00 21.41 H new ATOM 1008 N VAL A 67 14.336 18.756 3.892 1.00 71.42 N ATOM 1009 CA VAL A 67 15.436 19.708 3.987 1.00 14.31 C ATOM 1010 C VAL A 67 16.467 19.256 5.015 1.00 60.14 C ATOM 1011 O VAL A 67 17.080 20.077 5.698 1.00 75.15 O ATOM 1012 CB VAL A 67 14.930 21.113 4.367 1.00 22.44 C ATOM 1013 CG1 VAL A 67 13.781 21.530 3.462 1.00 20.14 C ATOM 1014 CG2 VAL A 67 14.509 21.149 5.829 1.00 42.33 C ATOM 0 H VAL A 67 13.512 19.008 4.438 1.00 71.42 H new ATOM 0 HA VAL A 67 15.903 19.751 3.003 1.00 14.31 H new ATOM 0 HB VAL A 67 15.745 21.824 4.229 1.00 22.44 H new ATOM 0 HG11 VAL A 67 13.437 22.525 3.746 1.00 20.14 H new ATOM 0 HG12 VAL A 67 14.121 21.545 2.426 1.00 20.14 H new ATOM 0 HG13 VAL A 67 12.961 20.820 3.565 1.00 20.14 H new ATOM 0 HG21 VAL A 67 14.154 22.148 6.081 1.00 42.33 H new ATOM 0 HG22 VAL A 67 13.709 20.427 5.995 1.00 42.33 H new ATOM 0 HG23 VAL A 67 15.362 20.897 6.459 1.00 42.33 H new ATOM 1024 N ASP A 68 16.655 17.945 5.119 1.00 75.15 N ATOM 1025 CA ASP A 68 17.614 17.382 6.062 1.00 54.10 C ATOM 1026 C ASP A 68 18.618 16.485 5.346 1.00 43.14 C ATOM 1027 O ASP A 68 19.687 16.187 5.877 1.00 2.02 O ATOM 1028 CB ASP A 68 16.887 16.588 7.149 1.00 53.43 C ATOM 1029 CG ASP A 68 17.593 16.660 8.488 1.00 22.32 C ATOM 1030 OD1 ASP A 68 17.429 17.678 9.192 1.00 74.22 O ATOM 1031 OD2 ASP A 68 18.312 15.698 8.832 1.00 34.44 O ATOM 0 H ASP A 68 16.156 17.252 4.562 1.00 75.15 H new ATOM 0 HA ASP A 68 18.156 18.206 6.526 1.00 54.10 H new ATOM 0 HB2 ASP A 68 15.872 16.970 7.256 1.00 53.43 H new ATOM 0 HB3 ASP A 68 16.805 15.546 6.840 1.00 53.43 H new ATOM 1036 N GLU A 69 18.266 16.058 4.137 1.00 61.10 N ATOM 1037 CA GLU A 69 19.137 15.193 3.349 1.00 11.24 C ATOM 1038 C GLU A 69 19.535 15.869 2.040 1.00 0.14 C ATOM 1039 O GLU A 69 20.636 15.659 1.530 1.00 70.34 O ATOM 1040 CB GLU A 69 18.442 13.862 3.058 1.00 71.43 C ATOM 1041 CG GLU A 69 17.142 14.010 2.284 1.00 24.24 C ATOM 1042 CD GLU A 69 16.159 12.893 2.577 1.00 12.42 C ATOM 1043 OE1 GLU A 69 16.524 11.964 3.327 1.00 34.23 O ATOM 1044 OE2 GLU A 69 15.025 12.949 2.057 1.00 63.14 O ATOM 0 H GLU A 69 17.385 16.297 3.682 1.00 61.10 H new ATOM 0 HA GLU A 69 20.040 15.004 3.929 1.00 11.24 H new ATOM 0 HB2 GLU A 69 19.121 13.223 2.493 1.00 71.43 H new ATOM 0 HB3 GLU A 69 18.238 13.355 4.001 1.00 71.43 H new ATOM 0 HG2 GLU A 69 16.683 14.967 2.531 1.00 24.24 H new ATOM 0 HG3 GLU A 69 17.359 14.027 1.216 1.00 24.24 H new ATOM 1051 N LEU A 70 18.632 16.681 1.502 1.00 11.13 N ATOM 1052 CA LEU A 70 18.887 17.388 0.252 1.00 2.42 C ATOM 1053 C LEU A 70 18.581 18.876 0.396 1.00 64.22 C ATOM 1054 O LEU A 70 18.313 19.564 -0.589 1.00 72.33 O ATOM 1055 CB LEU A 70 18.046 16.790 -0.876 1.00 71.24 C ATOM 1056 CG LEU A 70 16.592 17.259 -0.951 1.00 64.53 C ATOM 1057 CD1 LEU A 70 16.056 17.111 -2.367 1.00 2.22 C ATOM 1058 CD2 LEU A 70 15.730 16.480 0.031 1.00 12.25 C ATOM 0 H LEU A 70 17.717 16.866 1.912 1.00 11.13 H new ATOM 0 HA LEU A 70 19.943 17.275 0.008 1.00 2.42 H new ATOM 0 HB2 LEU A 70 18.530 17.021 -1.825 1.00 71.24 H new ATOM 0 HB3 LEU A 70 18.052 15.705 -0.771 1.00 71.24 H new ATOM 0 HG LEU A 70 16.556 18.314 -0.679 1.00 64.53 H new ATOM 0 HD11 LEU A 70 15.020 17.449 -2.401 1.00 2.22 H new ATOM 0 HD12 LEU A 70 16.657 17.713 -3.048 1.00 2.22 H new ATOM 0 HD13 LEU A 70 16.106 16.064 -2.667 1.00 2.22 H new ATOM 0 HD21 LEU A 70 14.699 16.827 -0.036 1.00 12.25 H new ATOM 0 HD22 LEU A 70 15.772 15.418 -0.211 1.00 12.25 H new ATOM 0 HD23 LEU A 70 16.101 16.637 1.044 1.00 12.25 H new ATOM 1070 N LYS A 71 18.626 19.367 1.630 1.00 41.25 N ATOM 1071 CA LYS A 71 18.358 20.774 1.903 1.00 35.15 C ATOM 1072 C LYS A 71 18.821 21.652 0.745 1.00 35.22 C ATOM 1073 O LYS A 71 18.198 22.668 0.438 1.00 21.11 O ATOM 1074 CB LYS A 71 19.056 21.206 3.195 1.00 35.52 C ATOM 1075 CG LYS A 71 20.114 20.226 3.671 1.00 21.31 C ATOM 1076 CD LYS A 71 21.344 20.946 4.199 1.00 75.10 C ATOM 1077 CE LYS A 71 22.355 21.206 3.093 1.00 20.42 C ATOM 1078 NZ LYS A 71 23.319 22.278 3.464 1.00 24.02 N ATOM 0 H LYS A 71 18.846 18.811 2.457 1.00 41.25 H new ATOM 0 HA LYS A 71 17.281 20.896 2.020 1.00 35.15 H new ATOM 0 HB2 LYS A 71 19.519 22.181 3.040 1.00 35.52 H new ATOM 0 HB3 LYS A 71 18.308 21.329 3.978 1.00 35.52 H new ATOM 0 HG2 LYS A 71 19.698 19.592 4.454 1.00 21.31 H new ATOM 0 HG3 LYS A 71 20.400 19.570 2.849 1.00 21.31 H new ATOM 0 HD2 LYS A 71 21.047 21.892 4.652 1.00 75.10 H new ATOM 0 HD3 LYS A 71 21.808 20.349 4.984 1.00 75.10 H new ATOM 0 HE2 LYS A 71 22.900 20.287 2.875 1.00 20.42 H new ATOM 0 HE3 LYS A 71 21.830 21.489 2.181 1.00 20.42 H new ATOM 0 HZ1 LYS A 71 23.959 22.461 2.665 1.00 24.02 H new ATOM 0 HZ2 LYS A 71 22.798 23.148 3.696 1.00 24.02 H new ATOM 0 HZ3 LYS A 71 23.874 21.975 4.290 1.00 24.02 H new ATOM 1092 N GLU A 72 19.915 21.252 0.106 1.00 63.41 N ATOM 1093 CA GLU A 72 20.460 22.003 -1.019 1.00 32.11 C ATOM 1094 C GLU A 72 19.341 22.605 -1.864 1.00 12.12 C ATOM 1095 O GLU A 72 19.516 23.647 -2.495 1.00 45.14 O ATOM 1096 CB GLU A 72 21.339 21.100 -1.886 1.00 70.34 C ATOM 1097 CG GLU A 72 20.549 20.166 -2.788 1.00 23.42 C ATOM 1098 CD GLU A 72 21.320 18.910 -3.145 1.00 62.41 C ATOM 1099 OE1 GLU A 72 21.668 18.143 -2.222 1.00 54.45 O ATOM 1100 OE2 GLU A 72 21.576 18.693 -4.348 1.00 53.33 O ATOM 0 H GLU A 72 20.442 20.412 0.348 1.00 63.41 H new ATOM 0 HA GLU A 72 21.068 22.815 -0.620 1.00 32.11 H new ATOM 0 HB2 GLU A 72 21.989 21.722 -2.501 1.00 70.34 H new ATOM 0 HB3 GLU A 72 21.985 20.506 -1.239 1.00 70.34 H new ATOM 0 HG2 GLU A 72 19.619 19.888 -2.292 1.00 23.42 H new ATOM 0 HG3 GLU A 72 20.277 20.693 -3.702 1.00 23.42 H new ATOM 1107 N VAL A 73 18.189 21.941 -1.870 1.00 63.14 N ATOM 1108 CA VAL A 73 17.041 22.410 -2.637 1.00 32.45 C ATOM 1109 C VAL A 73 16.333 23.554 -1.921 1.00 13.25 C ATOM 1110 O VAL A 73 15.977 24.559 -2.535 1.00 44.33 O ATOM 1111 CB VAL A 73 16.032 21.273 -2.887 1.00 52.24 C ATOM 1112 CG1 VAL A 73 14.922 21.740 -3.817 1.00 61.32 C ATOM 1113 CG2 VAL A 73 16.737 20.051 -3.456 1.00 50.34 C ATOM 0 H VAL A 73 18.026 21.077 -1.353 1.00 63.14 H new ATOM 0 HA VAL A 73 17.423 22.765 -3.594 1.00 32.45 H new ATOM 0 HB VAL A 73 15.582 20.993 -1.934 1.00 52.24 H new ATOM 0 HG11 VAL A 73 14.219 20.924 -3.982 1.00 61.32 H new ATOM 0 HG12 VAL A 73 14.400 22.583 -3.365 1.00 61.32 H new ATOM 0 HG13 VAL A 73 15.351 22.048 -4.770 1.00 61.32 H new ATOM 0 HG21 VAL A 73 16.009 19.258 -3.626 1.00 50.34 H new ATOM 0 HG22 VAL A 73 17.215 20.313 -4.400 1.00 50.34 H new ATOM 0 HG23 VAL A 73 17.492 19.705 -2.750 1.00 50.34 H new ATOM 1123 N ALA A 74 16.131 23.395 -0.617 1.00 22.34 N ATOM 1124 CA ALA A 74 15.468 24.416 0.184 1.00 33.14 C ATOM 1125 C ALA A 74 16.334 25.665 0.308 1.00 34.01 C ATOM 1126 O ALA A 74 15.821 26.782 0.375 1.00 22.32 O ATOM 1127 CB ALA A 74 15.129 23.868 1.563 1.00 74.23 C ATOM 0 H ALA A 74 16.417 22.568 -0.093 1.00 22.34 H new ATOM 0 HA ALA A 74 14.544 24.695 -0.322 1.00 33.14 H new ATOM 0 HB1 ALA A 74 14.634 24.642 2.150 1.00 74.23 H new ATOM 0 HB2 ALA A 74 14.465 23.010 1.460 1.00 74.23 H new ATOM 0 HB3 ALA A 74 16.045 23.560 2.067 1.00 74.23 H new ATOM 1133 N GLU A 75 17.648 25.468 0.338 1.00 31.24 N ATOM 1134 CA GLU A 75 18.584 26.580 0.456 1.00 70.32 C ATOM 1135 C GLU A 75 18.534 27.466 -0.785 1.00 41.32 C ATOM 1136 O GLU A 75 18.893 28.643 -0.737 1.00 10.01 O ATOM 1137 CB GLU A 75 20.007 26.058 0.666 1.00 32.42 C ATOM 1138 CG GLU A 75 20.104 24.962 1.715 1.00 43.23 C ATOM 1139 CD GLU A 75 21.038 25.326 2.853 1.00 60.41 C ATOM 1140 OE1 GLU A 75 20.857 26.409 3.447 1.00 43.15 O ATOM 1141 OE2 GLU A 75 21.950 24.525 3.150 1.00 53.30 O ATOM 0 H GLU A 75 18.088 24.550 0.282 1.00 31.24 H new ATOM 0 HA GLU A 75 18.293 27.177 1.320 1.00 70.32 H new ATOM 0 HB2 GLU A 75 20.389 25.678 -0.281 1.00 32.42 H new ATOM 0 HB3 GLU A 75 20.650 26.888 0.959 1.00 32.42 H new ATOM 0 HG2 GLU A 75 19.111 24.759 2.116 1.00 43.23 H new ATOM 0 HG3 GLU A 75 20.452 24.043 1.244 1.00 43.23 H new ATOM 1148 N LYS A 76 18.087 26.893 -1.897 1.00 61.42 N ATOM 1149 CA LYS A 76 17.989 27.628 -3.152 1.00 53.41 C ATOM 1150 C LYS A 76 16.728 28.486 -3.183 1.00 34.04 C ATOM 1151 O LYS A 76 16.713 29.565 -3.776 1.00 71.53 O ATOM 1152 CB LYS A 76 17.988 26.659 -4.337 1.00 1.53 C ATOM 1153 CG LYS A 76 16.596 26.291 -4.820 1.00 42.14 C ATOM 1154 CD LYS A 76 16.594 24.957 -5.548 1.00 53.33 C ATOM 1155 CE LYS A 76 16.416 25.141 -7.048 1.00 25.13 C ATOM 1156 NZ LYS A 76 17.340 26.174 -7.593 1.00 63.31 N ATOM 0 H LYS A 76 17.786 25.920 -1.954 1.00 61.42 H new ATOM 0 HA LYS A 76 18.856 28.284 -3.228 1.00 53.41 H new ATOM 0 HB2 LYS A 76 18.543 27.106 -5.162 1.00 1.53 H new ATOM 0 HB3 LYS A 76 18.517 25.749 -4.052 1.00 1.53 H new ATOM 0 HG2 LYS A 76 15.915 26.244 -3.970 1.00 42.14 H new ATOM 0 HG3 LYS A 76 16.222 27.070 -5.485 1.00 42.14 H new ATOM 0 HD2 LYS A 76 17.530 24.433 -5.353 1.00 53.33 H new ATOM 0 HD3 LYS A 76 15.791 24.330 -5.159 1.00 53.33 H new ATOM 0 HE2 LYS A 76 16.593 24.192 -7.554 1.00 25.13 H new ATOM 0 HE3 LYS A 76 15.386 25.427 -7.259 1.00 25.13 H new ATOM 0 HZ1 LYS A 76 17.535 25.972 -8.594 1.00 63.31 H new ATOM 0 HZ2 LYS A 76 16.900 27.113 -7.508 1.00 63.31 H new ATOM 0 HZ3 LYS A 76 18.231 26.160 -7.057 1.00 63.31 H new ATOM 1170 N TYR A 77 15.672 28.001 -2.538 1.00 62.35 N ATOM 1171 CA TYR A 77 14.406 28.723 -2.493 1.00 22.41 C ATOM 1172 C TYR A 77 14.289 29.537 -1.208 1.00 23.20 C ATOM 1173 O TYR A 77 13.453 30.433 -1.102 1.00 22.12 O ATOM 1174 CB TYR A 77 13.234 27.746 -2.599 1.00 71.22 C ATOM 1175 CG TYR A 77 13.233 26.938 -3.877 1.00 71.13 C ATOM 1176 CD1 TYR A 77 13.630 27.506 -5.081 1.00 42.15 C ATOM 1177 CD2 TYR A 77 12.834 25.607 -3.881 1.00 52.11 C ATOM 1178 CE1 TYR A 77 13.630 26.772 -6.252 1.00 3.21 C ATOM 1179 CE2 TYR A 77 12.832 24.865 -5.046 1.00 41.33 C ATOM 1180 CZ TYR A 77 13.231 25.452 -6.229 1.00 51.21 C ATOM 1181 OH TYR A 77 13.229 24.717 -7.392 1.00 63.13 O ATOM 0 H TYR A 77 15.668 27.111 -2.039 1.00 62.35 H new ATOM 0 HA TYR A 77 14.377 29.408 -3.340 1.00 22.41 H new ATOM 0 HB2 TYR A 77 13.262 27.065 -1.748 1.00 71.22 H new ATOM 0 HB3 TYR A 77 12.300 28.303 -2.531 1.00 71.22 H new ATOM 0 HD1 TYR A 77 13.944 28.539 -5.102 1.00 42.15 H new ATOM 0 HD2 TYR A 77 12.520 25.145 -2.957 1.00 52.11 H new ATOM 0 HE1 TYR A 77 13.941 27.229 -7.180 1.00 3.21 H new ATOM 0 HE2 TYR A 77 12.520 23.831 -5.031 1.00 41.33 H new ATOM 0 HH TYR A 77 12.922 23.806 -7.203 1.00 63.13 H new ATOM 1191 N ASN A 78 15.136 29.218 -0.234 1.00 74.20 N ATOM 1192 CA ASN A 78 15.129 29.919 1.045 1.00 75.12 C ATOM 1193 C ASN A 78 13.910 29.526 1.874 1.00 33.20 C ATOM 1194 O ASN A 78 12.976 30.312 2.037 1.00 62.34 O ATOM 1195 CB ASN A 78 15.140 31.432 0.820 1.00 1.33 C ATOM 1196 CG ASN A 78 15.516 32.200 2.073 1.00 32.22 C ATOM 1197 OD1 ASN A 78 14.844 33.159 2.452 1.00 54.22 O ATOM 1198 ND2 ASN A 78 16.595 31.779 2.723 1.00 50.50 N ATOM 0 H ASN A 78 15.835 28.479 -0.306 1.00 74.20 H new ATOM 0 HA ASN A 78 16.027 29.633 1.593 1.00 75.12 H new ATOM 0 HB2 ASN A 78 15.845 31.673 0.024 1.00 1.33 H new ATOM 0 HB3 ASN A 78 14.155 31.754 0.482 1.00 1.33 H new ATOM 0 HD21 ASN A 78 16.897 32.255 3.573 1.00 50.50 H new ATOM 0 HD22 ASN A 78 17.122 30.979 2.372 1.00 50.50 H new ATOM 1205 N VAL A 79 13.926 28.304 2.397 1.00 33.12 N ATOM 1206 CA VAL A 79 12.823 27.806 3.211 1.00 3.32 C ATOM 1207 C VAL A 79 13.201 27.776 4.688 1.00 15.31 C ATOM 1208 O VAL A 79 12.351 27.957 5.559 1.00 35.22 O ATOM 1209 CB VAL A 79 12.395 26.393 2.773 1.00 24.02 C ATOM 1210 CG1 VAL A 79 12.796 26.138 1.328 1.00 34.30 C ATOM 1211 CG2 VAL A 79 12.999 25.344 3.695 1.00 13.33 C ATOM 0 H VAL A 79 14.691 27.641 2.272 1.00 33.12 H new ATOM 0 HA VAL A 79 11.988 28.491 3.066 1.00 3.32 H new ATOM 0 HB VAL A 79 11.309 26.323 2.842 1.00 24.02 H new ATOM 0 HG11 VAL A 79 12.486 25.135 1.036 1.00 34.30 H new ATOM 0 HG12 VAL A 79 12.312 26.870 0.682 1.00 34.30 H new ATOM 0 HG13 VAL A 79 13.878 26.226 1.230 1.00 34.30 H new ATOM 0 HG21 VAL A 79 12.686 24.351 3.371 1.00 13.33 H new ATOM 0 HG22 VAL A 79 14.086 25.411 3.660 1.00 13.33 H new ATOM 0 HG23 VAL A 79 12.658 25.517 4.716 1.00 13.33 H new ATOM 1221 N GLU A 80 14.481 27.547 4.962 1.00 42.44 N ATOM 1222 CA GLU A 80 14.971 27.494 6.334 1.00 33.51 C ATOM 1223 C GLU A 80 14.808 26.092 6.915 1.00 21.11 C ATOM 1224 O GLU A 80 15.789 25.380 7.129 1.00 34.22 O ATOM 1225 CB GLU A 80 14.226 28.508 7.205 1.00 61.12 C ATOM 1226 CG GLU A 80 13.911 29.810 6.488 1.00 42.10 C ATOM 1227 CD GLU A 80 14.531 31.015 7.168 1.00 4.11 C ATOM 1228 OE1 GLU A 80 15.741 31.252 6.970 1.00 63.51 O ATOM 1229 OE2 GLU A 80 13.806 31.722 7.899 1.00 53.04 O ATOM 0 H GLU A 80 15.197 27.395 4.252 1.00 42.44 H new ATOM 0 HA GLU A 80 16.032 27.745 6.324 1.00 33.51 H new ATOM 0 HB2 GLU A 80 13.295 28.061 7.554 1.00 61.12 H new ATOM 0 HB3 GLU A 80 14.826 28.725 8.089 1.00 61.12 H new ATOM 0 HG2 GLU A 80 14.272 29.751 5.461 1.00 42.10 H new ATOM 0 HG3 GLU A 80 12.830 29.941 6.439 1.00 42.10 H new ATOM 1236 N ALA A 81 13.563 25.703 7.168 1.00 14.53 N ATOM 1237 CA ALA A 81 13.271 24.387 7.723 1.00 54.51 C ATOM 1238 C ALA A 81 11.815 24.289 8.165 1.00 34.12 C ATOM 1239 O ALA A 81 11.458 24.725 9.259 1.00 54.40 O ATOM 1240 CB ALA A 81 14.200 24.088 8.890 1.00 41.51 C ATOM 0 H ALA A 81 12.740 26.281 6.997 1.00 14.53 H new ATOM 0 HA ALA A 81 13.437 23.645 6.942 1.00 54.51 H new ATOM 0 HB1 ALA A 81 13.970 23.102 9.294 1.00 41.51 H new ATOM 0 HB2 ALA A 81 15.234 24.107 8.546 1.00 41.51 H new ATOM 0 HB3 ALA A 81 14.062 24.840 9.667 1.00 41.51 H new ATOM 1246 N MET A 82 10.978 23.713 7.308 1.00 42.34 N ATOM 1247 CA MET A 82 9.560 23.557 7.611 1.00 4.53 C ATOM 1248 C MET A 82 8.808 22.982 6.415 1.00 24.15 C ATOM 1249 O MET A 82 9.332 22.899 5.304 1.00 33.42 O ATOM 1250 CB MET A 82 8.952 24.903 8.012 1.00 71.31 C ATOM 1251 CG MET A 82 8.068 25.514 6.937 1.00 40.20 C ATOM 1252 SD MET A 82 8.277 27.300 6.799 1.00 74.21 S ATOM 1253 CE MET A 82 9.885 27.393 6.017 1.00 5.33 C ATOM 0 H MET A 82 11.257 23.347 6.398 1.00 42.34 H new ATOM 0 HA MET A 82 9.466 22.861 8.445 1.00 4.53 H new ATOM 0 HB2 MET A 82 8.366 24.771 8.922 1.00 71.31 H new ATOM 0 HB3 MET A 82 9.756 25.600 8.249 1.00 71.31 H new ATOM 0 HG2 MET A 82 8.296 25.050 5.977 1.00 40.20 H new ATOM 0 HG3 MET A 82 7.025 25.290 7.159 1.00 40.20 H new ATOM 0 HE1 MET A 82 9.920 28.262 5.360 1.00 5.33 H new ATOM 0 HE2 MET A 82 10.657 27.484 6.781 1.00 5.33 H new ATOM 0 HE3 MET A 82 10.058 26.489 5.433 1.00 5.33 H new ATOM 1263 N PRO A 83 7.551 22.575 6.646 1.00 64.41 N ATOM 1264 CA PRO A 83 6.701 22.000 5.599 1.00 10.02 C ATOM 1265 C PRO A 83 6.279 23.035 4.562 1.00 65.03 C ATOM 1266 O PRO A 83 5.159 22.998 4.051 1.00 65.41 O ATOM 1267 CB PRO A 83 5.482 21.491 6.372 1.00 30.24 C ATOM 1268 CG PRO A 83 5.433 22.333 7.600 1.00 23.13 C ATOM 1269 CD PRO A 83 6.863 22.644 7.946 1.00 43.00 C ATOM 0 HA PRO A 83 7.219 21.225 5.033 1.00 10.02 H new ATOM 0 HB2 PRO A 83 4.570 21.594 5.785 1.00 30.24 H new ATOM 0 HB3 PRO A 83 5.584 20.435 6.620 1.00 30.24 H new ATOM 0 HG2 PRO A 83 4.866 23.247 7.424 1.00 23.13 H new ATOM 0 HG3 PRO A 83 4.940 21.805 8.416 1.00 23.13 H new ATOM 0 HD2 PRO A 83 6.961 23.630 8.401 1.00 43.00 H new ATOM 0 HD3 PRO A 83 7.271 21.924 8.655 1.00 43.00 H new ATOM 1277 N THR A 84 7.184 23.959 4.253 1.00 11.30 N ATOM 1278 CA THR A 84 6.906 25.005 3.277 1.00 74.02 C ATOM 1279 C THR A 84 6.554 24.409 1.918 1.00 2.53 C ATOM 1280 O THR A 84 7.353 23.688 1.320 1.00 12.30 O ATOM 1281 CB THR A 84 8.107 25.955 3.113 1.00 61.20 C ATOM 1282 OG1 THR A 84 7.977 27.067 4.005 1.00 5.23 O ATOM 1283 CG2 THR A 84 8.209 26.456 1.680 1.00 11.55 C ATOM 0 H THR A 84 8.116 24.004 4.665 1.00 11.30 H new ATOM 0 HA THR A 84 6.054 25.571 3.654 1.00 74.02 H new ATOM 0 HB THR A 84 9.015 25.402 3.353 1.00 61.20 H new ATOM 0 HG1 THR A 84 7.678 26.749 4.883 1.00 5.23 H new ATOM 0 HG21 THR A 84 9.064 27.125 1.589 1.00 11.55 H new ATOM 0 HG22 THR A 84 8.338 25.609 1.007 1.00 11.55 H new ATOM 0 HG23 THR A 84 7.298 26.994 1.417 1.00 11.55 H new ATOM 1291 N PHE A 85 5.355 24.716 1.436 1.00 74.15 N ATOM 1292 CA PHE A 85 4.897 24.210 0.146 1.00 3.35 C ATOM 1293 C PHE A 85 5.450 25.056 -0.997 1.00 4.12 C ATOM 1294 O PHE A 85 4.748 25.346 -1.966 1.00 61.44 O ATOM 1295 CB PHE A 85 3.368 24.198 0.093 1.00 22.20 C ATOM 1296 CG PHE A 85 2.781 22.816 0.042 1.00 4.01 C ATOM 1297 CD1 PHE A 85 3.078 21.961 -1.007 1.00 4.10 C ATOM 1298 CD2 PHE A 85 1.932 22.372 1.043 1.00 4.32 C ATOM 1299 CE1 PHE A 85 2.540 20.689 -1.057 1.00 25.23 C ATOM 1300 CE2 PHE A 85 1.392 21.101 0.999 1.00 11.11 C ATOM 1301 CZ PHE A 85 1.695 20.259 -0.053 1.00 22.23 C ATOM 0 H PHE A 85 4.682 25.312 1.918 1.00 74.15 H new ATOM 0 HA PHE A 85 5.266 23.191 0.032 1.00 3.35 H new ATOM 0 HB2 PHE A 85 2.978 24.718 0.968 1.00 22.20 H new ATOM 0 HB3 PHE A 85 3.038 24.757 -0.783 1.00 22.20 H new ATOM 0 HD1 PHE A 85 3.738 22.293 -1.795 1.00 4.10 H new ATOM 0 HD2 PHE A 85 1.690 23.027 1.867 1.00 4.32 H new ATOM 0 HE1 PHE A 85 2.780 20.032 -1.880 1.00 25.23 H new ATOM 0 HE2 PHE A 85 0.733 20.766 1.787 1.00 11.11 H new ATOM 0 HZ PHE A 85 1.272 19.266 -0.090 1.00 22.23 H new ATOM 1311 N LEU A 86 6.713 25.450 -0.876 1.00 23.12 N ATOM 1312 CA LEU A 86 7.362 26.263 -1.898 1.00 44.32 C ATOM 1313 C LEU A 86 6.836 25.915 -3.287 1.00 20.33 C ATOM 1314 O LEU A 86 6.576 24.750 -3.589 1.00 64.13 O ATOM 1315 CB LEU A 86 8.878 26.064 -1.850 1.00 63.01 C ATOM 1316 CG LEU A 86 9.727 27.310 -2.105 1.00 25.24 C ATOM 1317 CD1 LEU A 86 9.102 28.169 -3.192 1.00 13.40 C ATOM 1318 CD2 LEU A 86 9.898 28.110 -0.822 1.00 1.24 C ATOM 0 H LEU A 86 7.308 25.219 -0.080 1.00 23.12 H new ATOM 0 HA LEU A 86 7.132 27.309 -1.694 1.00 44.32 H new ATOM 0 HB2 LEU A 86 9.141 25.664 -0.871 1.00 63.01 H new ATOM 0 HB3 LEU A 86 9.149 25.307 -2.587 1.00 63.01 H new ATOM 0 HG LEU A 86 10.712 26.991 -2.445 1.00 25.24 H new ATOM 0 HD11 LEU A 86 9.720 29.051 -3.359 1.00 13.40 H new ATOM 0 HD12 LEU A 86 9.033 27.594 -4.115 1.00 13.40 H new ATOM 0 HD13 LEU A 86 8.104 28.479 -2.882 1.00 13.40 H new ATOM 0 HD21 LEU A 86 10.505 28.993 -1.022 1.00 1.24 H new ATOM 0 HD22 LEU A 86 8.920 28.418 -0.452 1.00 1.24 H new ATOM 0 HD23 LEU A 86 10.392 27.493 -0.071 1.00 1.24 H new ATOM 1330 N PHE A 87 6.683 26.932 -4.128 1.00 72.32 N ATOM 1331 CA PHE A 87 6.189 26.733 -5.486 1.00 33.13 C ATOM 1332 C PHE A 87 7.228 27.172 -6.513 1.00 24.13 C ATOM 1333 O PHE A 87 8.084 28.010 -6.226 1.00 53.12 O ATOM 1334 CB PHE A 87 4.888 27.510 -5.696 1.00 75.05 C ATOM 1335 CG PHE A 87 3.733 26.973 -4.900 1.00 10.23 C ATOM 1336 CD1 PHE A 87 3.730 27.058 -3.517 1.00 34.32 C ATOM 1337 CD2 PHE A 87 2.651 26.384 -5.534 1.00 22.53 C ATOM 1338 CE1 PHE A 87 2.669 26.565 -2.780 1.00 54.15 C ATOM 1339 CE2 PHE A 87 1.587 25.890 -4.803 1.00 23.41 C ATOM 1340 CZ PHE A 87 1.597 25.979 -3.425 1.00 15.34 C ATOM 0 H PHE A 87 6.894 27.902 -3.894 1.00 72.32 H new ATOM 0 HA PHE A 87 5.996 25.669 -5.623 1.00 33.13 H new ATOM 0 HB2 PHE A 87 5.050 28.554 -5.427 1.00 75.05 H new ATOM 0 HB3 PHE A 87 4.629 27.490 -6.755 1.00 75.05 H new ATOM 0 HD1 PHE A 87 4.566 27.515 -3.009 1.00 34.32 H new ATOM 0 HD2 PHE A 87 2.639 26.310 -6.611 1.00 22.53 H new ATOM 0 HE1 PHE A 87 2.678 26.638 -1.703 1.00 54.15 H new ATOM 0 HE2 PHE A 87 0.749 25.435 -5.309 1.00 23.41 H new ATOM 0 HZ PHE A 87 0.768 25.591 -2.852 1.00 15.34 H new ATOM 1350 N ILE A 88 7.148 26.599 -7.709 1.00 1.11 N ATOM 1351 CA ILE A 88 8.081 26.931 -8.778 1.00 40.15 C ATOM 1352 C ILE A 88 7.365 27.034 -10.121 1.00 15.24 C ATOM 1353 O ILE A 88 7.479 26.148 -10.968 1.00 42.51 O ATOM 1354 CB ILE A 88 9.206 25.885 -8.889 1.00 2.31 C ATOM 1355 CG1 ILE A 88 9.734 25.523 -7.499 1.00 75.10 C ATOM 1356 CG2 ILE A 88 10.332 26.409 -9.768 1.00 53.14 C ATOM 1357 CD1 ILE A 88 10.649 26.572 -6.908 1.00 31.14 C ATOM 0 H ILE A 88 6.447 25.903 -7.962 1.00 1.11 H new ATOM 0 HA ILE A 88 8.518 27.897 -8.526 1.00 40.15 H new ATOM 0 HB ILE A 88 8.800 24.984 -9.350 1.00 2.31 H new ATOM 0 HG12 ILE A 88 8.890 25.369 -6.827 1.00 75.10 H new ATOM 0 HG13 ILE A 88 10.271 24.576 -7.558 1.00 75.10 H new ATOM 0 HG21 ILE A 88 11.119 25.658 -9.837 1.00 53.14 H new ATOM 0 HG22 ILE A 88 9.946 26.622 -10.765 1.00 53.14 H new ATOM 0 HG23 ILE A 88 10.738 27.322 -9.333 1.00 53.14 H new ATOM 0 HD11 ILE A 88 10.985 26.249 -5.923 1.00 31.14 H new ATOM 0 HD12 ILE A 88 11.513 26.710 -7.559 1.00 31.14 H new ATOM 0 HD13 ILE A 88 10.110 27.515 -6.816 1.00 31.14 H new ATOM 1369 N LYS A 89 6.626 28.123 -10.309 1.00 31.53 N ATOM 1370 CA LYS A 89 5.892 28.345 -11.549 1.00 3.01 C ATOM 1371 C LYS A 89 6.831 28.797 -12.663 1.00 22.01 C ATOM 1372 O LYS A 89 7.537 29.796 -12.525 1.00 65.11 O ATOM 1373 CB LYS A 89 4.795 29.391 -11.336 1.00 64.22 C ATOM 1374 CG LYS A 89 4.094 29.806 -12.618 1.00 33.42 C ATOM 1375 CD LYS A 89 3.372 31.133 -12.454 1.00 64.12 C ATOM 1376 CE LYS A 89 2.252 31.036 -11.430 1.00 22.11 C ATOM 1377 NZ LYS A 89 1.035 31.773 -11.868 1.00 74.01 N ATOM 0 H LYS A 89 6.520 28.866 -9.618 1.00 31.53 H new ATOM 0 HA LYS A 89 5.433 27.402 -11.845 1.00 3.01 H new ATOM 0 HB2 LYS A 89 4.056 28.994 -10.640 1.00 64.22 H new ATOM 0 HB3 LYS A 89 5.232 30.273 -10.868 1.00 64.22 H new ATOM 0 HG2 LYS A 89 4.824 29.885 -13.424 1.00 33.42 H new ATOM 0 HG3 LYS A 89 3.380 29.036 -12.909 1.00 33.42 H new ATOM 0 HD2 LYS A 89 4.083 31.899 -12.145 1.00 64.12 H new ATOM 0 HD3 LYS A 89 2.962 31.446 -13.414 1.00 64.12 H new ATOM 0 HE2 LYS A 89 2.002 29.988 -11.264 1.00 22.11 H new ATOM 0 HE3 LYS A 89 2.596 31.437 -10.477 1.00 22.11 H new ATOM 0 HZ1 LYS A 89 0.295 31.683 -11.143 1.00 74.01 H new ATOM 0 HZ2 LYS A 89 1.267 32.778 -12.002 1.00 74.01 H new ATOM 0 HZ3 LYS A 89 0.692 31.374 -12.765 1.00 74.01 H new ATOM 1391 N ASP A 90 6.833 28.057 -13.766 1.00 34.42 N ATOM 1392 CA ASP A 90 7.683 28.383 -14.905 1.00 11.12 C ATOM 1393 C ASP A 90 9.103 27.872 -14.687 1.00 24.44 C ATOM 1394 O ASP A 90 9.941 27.934 -15.585 1.00 44.02 O ATOM 1395 CB ASP A 90 7.702 29.895 -15.138 1.00 31.44 C ATOM 1396 CG ASP A 90 7.950 30.254 -16.589 1.00 74.35 C ATOM 1397 OD1 ASP A 90 7.006 30.135 -17.400 1.00 24.33 O ATOM 1398 OD2 ASP A 90 9.086 30.655 -16.915 1.00 62.44 O ATOM 0 H ASP A 90 6.255 27.227 -13.896 1.00 34.42 H new ATOM 0 HA ASP A 90 7.271 27.892 -15.787 1.00 11.12 H new ATOM 0 HB2 ASP A 90 6.751 30.321 -14.819 1.00 31.44 H new ATOM 0 HB3 ASP A 90 8.477 30.346 -14.518 1.00 31.44 H new ATOM 1403 N GLY A 91 9.367 27.366 -13.485 1.00 43.33 N ATOM 1404 CA GLY A 91 10.688 26.853 -13.170 1.00 75.33 C ATOM 1405 C GLY A 91 11.554 27.876 -12.463 1.00 62.23 C ATOM 1406 O GLY A 91 12.734 28.025 -12.780 1.00 71.11 O ATOM 0 H GLY A 91 8.690 27.302 -12.725 1.00 43.33 H new ATOM 0 HA2 GLY A 91 10.590 25.968 -12.541 1.00 75.33 H new ATOM 0 HA3 GLY A 91 11.181 26.538 -14.090 1.00 75.33 H new ATOM 1410 N ALA A 92 10.968 28.584 -11.504 1.00 34.14 N ATOM 1411 CA ALA A 92 11.694 29.598 -10.750 1.00 22.02 C ATOM 1412 C ALA A 92 11.212 29.658 -9.305 1.00 13.45 C ATOM 1413 O ALA A 92 11.780 29.014 -8.424 1.00 21.21 O ATOM 1414 CB ALA A 92 11.545 30.958 -11.415 1.00 42.14 C ATOM 0 H ALA A 92 9.992 28.474 -11.231 1.00 34.14 H new ATOM 0 HA ALA A 92 12.749 29.323 -10.742 1.00 22.02 H new ATOM 0 HB1 ALA A 92 12.092 31.706 -10.841 1.00 42.14 H new ATOM 0 HB2 ALA A 92 11.945 30.914 -12.428 1.00 42.14 H new ATOM 0 HB3 ALA A 92 10.490 31.231 -11.453 1.00 42.14 H new ATOM 1420 N GLU A 93 10.161 30.437 -9.068 1.00 53.44 N ATOM 1421 CA GLU A 93 9.604 30.582 -7.729 1.00 13.35 C ATOM 1422 C GLU A 93 8.372 31.483 -7.746 1.00 1.12 C ATOM 1423 O GLU A 93 8.485 32.705 -7.840 1.00 70.11 O ATOM 1424 CB GLU A 93 10.654 31.155 -6.775 1.00 23.54 C ATOM 1425 CG GLU A 93 10.368 30.866 -5.310 1.00 44.14 C ATOM 1426 CD GLU A 93 11.618 30.912 -4.452 1.00 54.00 C ATOM 1427 OE1 GLU A 93 12.701 30.558 -4.961 1.00 44.22 O ATOM 1428 OE2 GLU A 93 11.511 31.302 -3.270 1.00 54.45 O ATOM 0 H GLU A 93 9.679 30.977 -9.786 1.00 53.44 H new ATOM 0 HA GLU A 93 9.306 29.594 -7.379 1.00 13.35 H new ATOM 0 HB2 GLU A 93 11.630 30.745 -7.034 1.00 23.54 H new ATOM 0 HB3 GLU A 93 10.713 32.234 -6.919 1.00 23.54 H new ATOM 0 HG2 GLU A 93 9.647 31.592 -4.934 1.00 44.14 H new ATOM 0 HG3 GLU A 93 9.906 29.883 -5.221 1.00 44.14 H new ATOM 1435 N ALA A 94 7.197 30.870 -7.655 1.00 35.15 N ATOM 1436 CA ALA A 94 5.944 31.615 -7.658 1.00 51.21 C ATOM 1437 C ALA A 94 5.573 32.072 -6.251 1.00 51.03 C ATOM 1438 O ALA A 94 4.991 33.142 -6.069 1.00 23.31 O ATOM 1439 CB ALA A 94 4.828 30.769 -8.252 1.00 33.42 C ATOM 0 H ALA A 94 7.086 29.859 -7.578 1.00 35.15 H new ATOM 0 HA ALA A 94 6.080 32.503 -8.276 1.00 51.21 H new ATOM 0 HB1 ALA A 94 3.898 31.338 -8.248 1.00 33.42 H new ATOM 0 HB2 ALA A 94 5.083 30.498 -9.277 1.00 33.42 H new ATOM 0 HB3 ALA A 94 4.702 29.864 -7.658 1.00 33.42 H new ATOM 1445 N ASP A 95 5.912 31.255 -5.260 1.00 61.14 N ATOM 1446 CA ASP A 95 5.615 31.576 -3.869 1.00 73.52 C ATOM 1447 C ASP A 95 5.624 30.317 -3.007 1.00 63.24 C ATOM 1448 O ASP A 95 5.860 29.214 -3.502 1.00 53.21 O ATOM 1449 CB ASP A 95 4.257 32.271 -3.763 1.00 13.11 C ATOM 1450 CG ASP A 95 4.384 33.779 -3.675 1.00 50.33 C ATOM 1451 OD1 ASP A 95 5.208 34.259 -2.869 1.00 62.14 O ATOM 1452 OD2 ASP A 95 3.659 34.480 -4.412 1.00 53.02 O ATOM 0 H ASP A 95 6.393 30.365 -5.394 1.00 61.14 H new ATOM 0 HA ASP A 95 6.390 32.250 -3.504 1.00 73.52 H new ATOM 0 HB2 ASP A 95 3.650 32.010 -4.630 1.00 13.11 H new ATOM 0 HB3 ASP A 95 3.731 31.902 -2.883 1.00 13.11 H new ATOM 1457 N LYS A 96 5.368 30.489 -1.715 1.00 71.21 N ATOM 1458 CA LYS A 96 5.346 29.368 -0.783 1.00 65.20 C ATOM 1459 C LYS A 96 4.115 29.430 0.115 1.00 52.04 C ATOM 1460 O LYS A 96 3.394 30.428 0.129 1.00 44.22 O ATOM 1461 CB LYS A 96 6.615 29.365 0.073 1.00 10.31 C ATOM 1462 CG LYS A 96 6.750 30.588 0.964 1.00 12.01 C ATOM 1463 CD LYS A 96 7.708 31.607 0.371 1.00 51.31 C ATOM 1464 CE LYS A 96 9.131 31.384 0.859 1.00 42.42 C ATOM 1465 NZ LYS A 96 9.906 32.655 0.909 1.00 50.15 N ATOM 0 H LYS A 96 5.173 31.395 -1.289 1.00 71.21 H new ATOM 0 HA LYS A 96 5.304 28.446 -1.364 1.00 65.20 H new ATOM 0 HB2 LYS A 96 6.622 28.470 0.695 1.00 10.31 H new ATOM 0 HB3 LYS A 96 7.485 29.305 -0.581 1.00 10.31 H new ATOM 0 HG2 LYS A 96 5.771 31.046 1.105 1.00 12.01 H new ATOM 0 HG3 LYS A 96 7.104 30.284 1.949 1.00 12.01 H new ATOM 0 HD2 LYS A 96 7.681 31.543 -0.717 1.00 51.31 H new ATOM 0 HD3 LYS A 96 7.383 32.612 0.639 1.00 51.31 H new ATOM 0 HE2 LYS A 96 9.108 30.933 1.851 1.00 42.42 H new ATOM 0 HE3 LYS A 96 9.635 30.677 0.199 1.00 42.42 H new ATOM 0 HZ1 LYS A 96 10.870 32.461 1.246 1.00 50.15 H new ATOM 0 HZ2 LYS A 96 9.950 33.073 -0.042 1.00 50.15 H new ATOM 0 HZ3 LYS A 96 9.440 33.321 1.558 1.00 50.15 H new ATOM 1479 N VAL A 97 3.879 28.358 0.864 1.00 24.31 N ATOM 1480 CA VAL A 97 2.736 28.292 1.767 1.00 63.33 C ATOM 1481 C VAL A 97 3.104 27.590 3.069 1.00 4.43 C ATOM 1482 O VAL A 97 3.627 28.211 3.995 1.00 14.34 O ATOM 1483 CB VAL A 97 1.550 27.555 1.117 1.00 20.22 C ATOM 1484 CG1 VAL A 97 0.517 27.176 2.167 1.00 14.52 C ATOM 1485 CG2 VAL A 97 0.925 28.411 0.026 1.00 73.41 C ATOM 0 H VAL A 97 4.464 27.523 0.863 1.00 24.31 H new ATOM 0 HA VAL A 97 2.443 29.319 1.982 1.00 63.33 H new ATOM 0 HB VAL A 97 1.921 26.638 0.659 1.00 20.22 H new ATOM 0 HG11 VAL A 97 -0.314 26.656 1.689 1.00 14.52 H new ATOM 0 HG12 VAL A 97 0.975 26.522 2.909 1.00 14.52 H new ATOM 0 HG13 VAL A 97 0.148 28.077 2.656 1.00 14.52 H new ATOM 0 HG21 VAL A 97 0.089 27.875 -0.423 1.00 73.41 H new ATOM 0 HG22 VAL A 97 0.567 29.346 0.457 1.00 73.41 H new ATOM 0 HG23 VAL A 97 1.671 28.626 -0.739 1.00 73.41 H new ATOM 1495 N VAL A 98 2.829 26.292 3.134 1.00 22.50 N ATOM 1496 CA VAL A 98 3.133 25.504 4.323 1.00 72.01 C ATOM 1497 C VAL A 98 2.299 24.229 4.365 1.00 35.31 C ATOM 1498 O VAL A 98 1.141 24.218 3.949 1.00 71.40 O ATOM 1499 CB VAL A 98 2.882 26.311 5.610 1.00 13.52 C ATOM 1500 CG1 VAL A 98 2.223 25.439 6.668 1.00 5.02 C ATOM 1501 CG2 VAL A 98 4.183 26.903 6.130 1.00 42.43 C ATOM 0 H VAL A 98 2.396 25.763 2.377 1.00 22.50 H new ATOM 0 HA VAL A 98 4.190 25.242 4.268 1.00 72.01 H new ATOM 0 HB VAL A 98 2.204 27.132 5.376 1.00 13.52 H new ATOM 0 HG11 VAL A 98 2.054 26.027 7.570 1.00 5.02 H new ATOM 0 HG12 VAL A 98 1.269 25.069 6.292 1.00 5.02 H new ATOM 0 HG13 VAL A 98 2.873 24.596 6.901 1.00 5.02 H new ATOM 0 HG21 VAL A 98 3.987 27.470 7.040 1.00 42.43 H new ATOM 0 HG22 VAL A 98 4.887 26.100 6.348 1.00 42.43 H new ATOM 0 HG23 VAL A 98 4.609 27.564 5.375 1.00 42.43 H new ATOM 1511 N GLY A 99 2.895 23.154 4.872 1.00 63.11 N ATOM 1512 CA GLY A 99 2.192 21.887 4.960 1.00 44.32 C ATOM 1513 C GLY A 99 1.487 21.707 6.289 1.00 33.11 C ATOM 1514 O GLY A 99 1.624 20.670 6.937 1.00 62.43 O ATOM 0 H GLY A 99 3.852 23.138 5.223 1.00 63.11 H new ATOM 0 HA2 GLY A 99 1.462 21.823 4.153 1.00 44.32 H new ATOM 0 HA3 GLY A 99 2.900 21.071 4.814 1.00 44.32 H new ATOM 1518 N ALA A 100 0.730 22.720 6.698 1.00 50.13 N ATOM 1519 CA ALA A 100 0.000 22.668 7.958 1.00 10.53 C ATOM 1520 C ALA A 100 -1.206 23.601 7.933 1.00 74.02 C ATOM 1521 O ALA A 100 -1.795 23.898 8.972 1.00 33.13 O ATOM 1522 CB ALA A 100 0.920 23.025 9.116 1.00 25.22 C ATOM 0 H ALA A 100 0.607 23.587 6.175 1.00 50.13 H new ATOM 0 HA ALA A 100 -0.363 21.650 8.097 1.00 10.53 H new ATOM 0 HB1 ALA A 100 0.361 22.982 10.051 1.00 25.22 H new ATOM 0 HB2 ALA A 100 1.748 22.317 9.155 1.00 25.22 H new ATOM 0 HB3 ALA A 100 1.311 24.032 8.973 1.00 25.22 H new ATOM 1528 N ARG A 101 -1.568 24.060 6.739 1.00 13.13 N ATOM 1529 CA ARG A 101 -2.704 24.961 6.579 1.00 25.33 C ATOM 1530 C ARG A 101 -3.681 24.423 5.538 1.00 13.52 C ATOM 1531 O ARG A 101 -3.381 24.396 4.344 1.00 12.05 O ATOM 1532 CB ARG A 101 -2.223 26.354 6.171 1.00 4.54 C ATOM 1533 CG ARG A 101 -2.059 27.309 7.343 1.00 52.33 C ATOM 1534 CD ARG A 101 -0.884 26.914 8.224 1.00 53.43 C ATOM 1535 NE ARG A 101 -0.840 27.693 9.459 1.00 74.43 N ATOM 1536 CZ ARG A 101 0.024 27.464 10.441 1.00 42.10 C ATOM 1537 NH1 ARG A 101 0.912 26.486 10.333 1.00 62.43 N ATOM 1538 NH2 ARG A 101 0.002 28.216 11.534 1.00 31.33 N ATOM 0 H ARG A 101 -1.092 23.823 5.869 1.00 13.13 H new ATOM 0 HA ARG A 101 -3.221 25.029 7.536 1.00 25.33 H new ATOM 0 HB2 ARG A 101 -1.269 26.262 5.652 1.00 4.54 H new ATOM 0 HB3 ARG A 101 -2.932 26.781 5.462 1.00 4.54 H new ATOM 0 HG2 ARG A 101 -1.911 28.322 6.970 1.00 52.33 H new ATOM 0 HG3 ARG A 101 -2.973 27.318 7.937 1.00 52.33 H new ATOM 0 HD2 ARG A 101 -0.953 25.854 8.467 1.00 53.43 H new ATOM 0 HD3 ARG A 101 0.046 27.055 7.673 1.00 53.43 H new ATOM 0 HE ARG A 101 -1.509 28.454 9.573 1.00 74.43 H new ATOM 0 HH11 ARG A 101 0.933 25.907 9.494 1.00 62.43 H new ATOM 0 HH12 ARG A 101 1.574 26.313 11.089 1.00 62.43 H new ATOM 0 HH21 ARG A 101 -0.679 28.971 11.620 1.00 31.33 H new ATOM 0 HH22 ARG A 101 0.666 28.040 12.288 1.00 31.33 H new ATOM 1552 N LYS A 102 -4.852 23.996 5.999 1.00 52.53 N ATOM 1553 CA LYS A 102 -5.875 23.460 5.109 1.00 53.41 C ATOM 1554 C LYS A 102 -6.691 24.584 4.478 1.00 12.33 C ATOM 1555 O LYS A 102 -7.687 24.335 3.798 1.00 3.32 O ATOM 1556 CB LYS A 102 -6.801 22.512 5.875 1.00 44.11 C ATOM 1557 CG LYS A 102 -7.242 21.306 5.064 1.00 53.32 C ATOM 1558 CD LYS A 102 -8.465 21.621 4.218 1.00 62.40 C ATOM 1559 CE LYS A 102 -9.491 20.500 4.283 1.00 20.24 C ATOM 1560 NZ LYS A 102 -10.506 20.613 3.200 1.00 52.32 N ATOM 0 H LYS A 102 -5.116 24.011 6.984 1.00 52.53 H new ATOM 0 HA LYS A 102 -5.375 22.907 4.314 1.00 53.41 H new ATOM 0 HB2 LYS A 102 -6.291 22.168 6.775 1.00 44.11 H new ATOM 0 HB3 LYS A 102 -7.683 23.063 6.200 1.00 44.11 H new ATOM 0 HG2 LYS A 102 -6.426 20.982 4.419 1.00 53.32 H new ATOM 0 HG3 LYS A 102 -7.466 20.477 5.735 1.00 53.32 H new ATOM 0 HD2 LYS A 102 -8.918 22.551 4.563 1.00 62.40 H new ATOM 0 HD3 LYS A 102 -8.162 21.779 3.183 1.00 62.40 H new ATOM 0 HE2 LYS A 102 -8.983 19.538 4.206 1.00 20.24 H new ATOM 0 HE3 LYS A 102 -9.990 20.520 5.252 1.00 20.24 H new ATOM 0 HZ1 LYS A 102 -11.003 19.705 3.094 1.00 52.32 H new ATOM 0 HZ2 LYS A 102 -11.191 21.357 3.443 1.00 52.32 H new ATOM 0 HZ3 LYS A 102 -10.034 20.856 2.306 1.00 52.32 H new ATOM 1574 N ASP A 103 -6.262 25.821 4.707 1.00 33.42 N ATOM 1575 CA ASP A 103 -6.952 26.983 4.159 1.00 22.10 C ATOM 1576 C ASP A 103 -5.985 27.874 3.386 1.00 65.23 C ATOM 1577 O ASP A 103 -6.397 28.825 2.722 1.00 61.14 O ATOM 1578 CB ASP A 103 -7.617 27.783 5.280 1.00 50.33 C ATOM 1579 CG ASP A 103 -8.189 29.099 4.790 1.00 3.54 C ATOM 1580 OD1 ASP A 103 -9.257 29.079 4.143 1.00 22.22 O ATOM 1581 OD2 ASP A 103 -7.568 30.150 5.055 1.00 15.34 O ATOM 0 H ASP A 103 -5.440 26.044 5.268 1.00 33.42 H new ATOM 0 HA ASP A 103 -7.720 26.628 3.471 1.00 22.10 H new ATOM 0 HB2 ASP A 103 -8.414 27.187 5.725 1.00 50.33 H new ATOM 0 HB3 ASP A 103 -6.887 27.977 6.066 1.00 50.33 H new ATOM 1586 N ASP A 104 -4.697 27.560 3.478 1.00 70.23 N ATOM 1587 CA ASP A 104 -3.671 28.332 2.787 1.00 64.32 C ATOM 1588 C ASP A 104 -3.085 27.538 1.623 1.00 0.11 C ATOM 1589 O ASP A 104 -2.473 28.105 0.717 1.00 63.21 O ATOM 1590 CB ASP A 104 -2.559 28.729 3.760 1.00 75.20 C ATOM 1591 CG ASP A 104 -2.083 30.152 3.545 1.00 31.03 C ATOM 1592 OD1 ASP A 104 -2.839 30.947 2.948 1.00 1.44 O ATOM 1593 OD2 ASP A 104 -0.955 30.471 3.975 1.00 61.31 O ATOM 0 H ASP A 104 -4.339 26.776 4.024 1.00 70.23 H new ATOM 0 HA ASP A 104 -4.136 29.235 2.391 1.00 64.32 H new ATOM 0 HB2 ASP A 104 -2.919 28.620 4.783 1.00 75.20 H new ATOM 0 HB3 ASP A 104 -1.718 28.046 3.644 1.00 75.20 H new ATOM 1598 N LEU A 105 -3.276 26.224 1.655 1.00 62.23 N ATOM 1599 CA LEU A 105 -2.766 25.351 0.603 1.00 44.11 C ATOM 1600 C LEU A 105 -3.662 25.402 -0.630 1.00 14.51 C ATOM 1601 O LEU A 105 -3.319 26.027 -1.633 1.00 2.52 O ATOM 1602 CB LEU A 105 -2.662 23.913 1.112 1.00 24.44 C ATOM 1603 CG LEU A 105 -2.340 22.850 0.061 1.00 31.21 C ATOM 1604 CD1 LEU A 105 -0.921 23.023 -0.457 1.00 3.34 C ATOM 1605 CD2 LEU A 105 -2.533 21.454 0.637 1.00 41.50 C ATOM 0 H LEU A 105 -3.780 25.739 2.398 1.00 62.23 H new ATOM 0 HA LEU A 105 -1.773 25.704 0.323 1.00 44.11 H new ATOM 0 HB2 LEU A 105 -1.893 23.877 1.884 1.00 24.44 H new ATOM 0 HB3 LEU A 105 -3.606 23.649 1.590 1.00 24.44 H new ATOM 0 HG LEU A 105 -3.028 22.975 -0.776 1.00 31.21 H new ATOM 0 HD11 LEU A 105 -0.710 22.257 -1.204 1.00 3.34 H new ATOM 0 HD12 LEU A 105 -0.816 24.009 -0.909 1.00 3.34 H new ATOM 0 HD13 LEU A 105 -0.217 22.926 0.370 1.00 3.34 H new ATOM 0 HD21 LEU A 105 -2.299 20.710 -0.125 1.00 41.50 H new ATOM 0 HD22 LEU A 105 -1.870 21.318 1.492 1.00 41.50 H new ATOM 0 HD23 LEU A 105 -3.568 21.332 0.957 1.00 41.50 H new ATOM 1617 N GLN A 106 -4.813 24.743 -0.546 1.00 73.11 N ATOM 1618 CA GLN A 106 -5.760 24.715 -1.655 1.00 2.22 C ATOM 1619 C GLN A 106 -6.011 26.120 -2.192 1.00 5.42 C ATOM 1620 O GLN A 106 -6.496 26.291 -3.309 1.00 75.30 O ATOM 1621 CB GLN A 106 -7.080 24.083 -1.210 1.00 40.23 C ATOM 1622 CG GLN A 106 -7.793 24.867 -0.121 1.00 14.32 C ATOM 1623 CD GLN A 106 -6.872 25.254 1.019 1.00 64.30 C ATOM 1624 OE1 GLN A 106 -6.645 26.436 1.275 1.00 3.54 O ATOM 1625 NE2 GLN A 106 -6.335 24.256 1.711 1.00 65.43 N ATOM 0 H GLN A 106 -5.112 24.221 0.278 1.00 73.11 H new ATOM 0 HA GLN A 106 -5.328 24.112 -2.454 1.00 2.22 H new ATOM 0 HB2 GLN A 106 -7.740 23.994 -2.073 1.00 40.23 H new ATOM 0 HB3 GLN A 106 -6.886 23.072 -0.851 1.00 40.23 H new ATOM 0 HG2 GLN A 106 -8.228 25.768 -0.553 1.00 14.32 H new ATOM 0 HG3 GLN A 106 -8.618 24.271 0.270 1.00 14.32 H new ATOM 0 HE21 GLN A 106 -6.551 23.290 1.464 1.00 65.43 H new ATOM 0 HE22 GLN A 106 -5.707 24.455 2.489 1.00 65.43 H new ATOM 1634 N ASN A 107 -5.676 27.124 -1.388 1.00 2.33 N ATOM 1635 CA ASN A 107 -5.866 28.515 -1.782 1.00 42.51 C ATOM 1636 C ASN A 107 -4.739 28.979 -2.700 1.00 51.24 C ATOM 1637 O ASN A 107 -4.951 29.792 -3.601 1.00 73.33 O ATOM 1638 CB ASN A 107 -5.933 29.413 -0.545 1.00 41.41 C ATOM 1639 CG ASN A 107 -5.541 30.846 -0.849 1.00 3.50 C ATOM 1640 OD1 ASN A 107 -5.876 31.383 -1.905 1.00 13.01 O ATOM 1641 ND2 ASN A 107 -4.826 31.473 0.078 1.00 1.42 N ATOM 0 H ASN A 107 -5.272 27.000 -0.460 1.00 2.33 H new ATOM 0 HA ASN A 107 -6.808 28.587 -2.326 1.00 42.51 H new ATOM 0 HB2 ASN A 107 -6.945 29.394 -0.140 1.00 41.41 H new ATOM 0 HB3 ASN A 107 -5.274 29.015 0.226 1.00 41.41 H new ATOM 0 HD21 ASN A 107 -4.532 32.438 -0.071 1.00 1.42 H new ATOM 0 HD22 ASN A 107 -4.571 30.989 0.939 1.00 1.42 H new ATOM 1648 N THR A 108 -3.539 28.457 -2.466 1.00 72.24 N ATOM 1649 CA THR A 108 -2.379 28.817 -3.271 1.00 63.21 C ATOM 1650 C THR A 108 -2.346 28.025 -4.573 1.00 43.35 C ATOM 1651 O THR A 108 -2.020 28.566 -5.631 1.00 21.41 O ATOM 1652 CB THR A 108 -1.066 28.575 -2.503 1.00 65.22 C ATOM 1653 OG1 THR A 108 -0.858 29.620 -1.547 1.00 23.14 O ATOM 1654 CG2 THR A 108 0.117 28.513 -3.459 1.00 34.54 C ATOM 0 H THR A 108 -3.345 27.783 -1.725 1.00 72.24 H new ATOM 0 HA THR A 108 -2.469 29.879 -3.497 1.00 63.21 H new ATOM 0 HB THR A 108 -1.145 27.619 -1.985 1.00 65.22 H new ATOM 0 HG1 THR A 108 -1.395 29.443 -0.746 1.00 23.14 H new ATOM 0 HG21 THR A 108 1.033 28.341 -2.894 1.00 34.54 H new ATOM 0 HG22 THR A 108 -0.030 27.698 -4.168 1.00 34.54 H new ATOM 0 HG23 THR A 108 0.196 29.455 -4.001 1.00 34.54 H new ATOM 1662 N ILE A 109 -2.685 26.743 -4.490 1.00 54.50 N ATOM 1663 CA ILE A 109 -2.696 25.879 -5.663 1.00 72.43 C ATOM 1664 C ILE A 109 -3.683 26.385 -6.710 1.00 62.51 C ATOM 1665 O ILE A 109 -3.521 26.132 -7.904 1.00 54.32 O ATOM 1666 CB ILE A 109 -3.059 24.429 -5.291 1.00 23.13 C ATOM 1667 CG1 ILE A 109 -1.847 23.716 -4.687 1.00 43.12 C ATOM 1668 CG2 ILE A 109 -3.567 23.679 -6.513 1.00 45.12 C ATOM 1669 CD1 ILE A 109 -1.675 23.966 -3.205 1.00 43.13 C ATOM 0 H ILE A 109 -2.956 26.280 -3.622 1.00 54.50 H new ATOM 0 HA ILE A 109 -1.688 25.898 -6.078 1.00 72.43 H new ATOM 0 HB ILE A 109 -3.854 24.449 -4.546 1.00 23.13 H new ATOM 0 HG12 ILE A 109 -1.944 22.644 -4.857 1.00 43.12 H new ATOM 0 HG13 ILE A 109 -0.947 24.041 -5.209 1.00 43.12 H new ATOM 0 HG21 ILE A 109 -3.819 22.656 -6.233 1.00 45.12 H new ATOM 0 HG22 ILE A 109 -4.454 24.178 -6.903 1.00 45.12 H new ATOM 0 HG23 ILE A 109 -2.792 23.665 -7.279 1.00 45.12 H new ATOM 0 HD11 ILE A 109 -0.797 23.430 -2.845 1.00 43.13 H new ATOM 0 HD12 ILE A 109 -1.546 25.034 -3.029 1.00 43.13 H new ATOM 0 HD13 ILE A 109 -2.558 23.615 -2.672 1.00 43.13 H new ATOM 1681 N VAL A 110 -4.705 27.102 -6.254 1.00 60.22 N ATOM 1682 CA VAL A 110 -5.717 27.647 -7.151 1.00 70.53 C ATOM 1683 C VAL A 110 -5.209 28.898 -7.858 1.00 65.24 C ATOM 1684 O VAL A 110 -5.613 29.198 -8.982 1.00 34.22 O ATOM 1685 CB VAL A 110 -7.013 27.990 -6.393 1.00 71.40 C ATOM 1686 CG1 VAL A 110 -7.608 26.741 -5.761 1.00 33.15 C ATOM 1687 CG2 VAL A 110 -6.748 29.056 -5.341 1.00 21.43 C ATOM 0 H VAL A 110 -4.854 27.319 -5.269 1.00 60.22 H new ATOM 0 HA VAL A 110 -5.931 26.876 -7.892 1.00 70.53 H new ATOM 0 HB VAL A 110 -7.736 28.387 -7.105 1.00 71.40 H new ATOM 0 HG11 VAL A 110 -8.523 27.003 -5.230 1.00 33.15 H new ATOM 0 HG12 VAL A 110 -7.836 26.013 -6.539 1.00 33.15 H new ATOM 0 HG13 VAL A 110 -6.892 26.311 -5.060 1.00 33.15 H new ATOM 0 HG21 VAL A 110 -7.674 29.286 -4.815 1.00 21.43 H new ATOM 0 HG22 VAL A 110 -6.008 28.689 -4.629 1.00 21.43 H new ATOM 0 HG23 VAL A 110 -6.371 29.958 -5.824 1.00 21.43 H new ATOM 1697 N LYS A 111 -4.318 29.626 -7.193 1.00 63.45 N ATOM 1698 CA LYS A 111 -3.751 30.845 -7.758 1.00 23.34 C ATOM 1699 C LYS A 111 -2.629 30.520 -8.739 1.00 75.33 C ATOM 1700 O LYS A 111 -2.370 31.278 -9.674 1.00 3.41 O ATOM 1701 CB LYS A 111 -3.220 31.749 -6.642 1.00 75.34 C ATOM 1702 CG LYS A 111 -1.714 31.672 -6.462 1.00 13.20 C ATOM 1703 CD LYS A 111 -1.308 31.974 -5.029 1.00 73.41 C ATOM 1704 CE LYS A 111 -0.824 33.407 -4.877 1.00 1.32 C ATOM 1705 NZ LYS A 111 0.384 33.496 -4.010 1.00 61.45 N ATOM 0 H LYS A 111 -3.973 29.393 -6.262 1.00 63.45 H new ATOM 0 HA LYS A 111 -4.541 31.368 -8.297 1.00 23.34 H new ATOM 0 HB2 LYS A 111 -3.500 32.780 -6.857 1.00 75.34 H new ATOM 0 HB3 LYS A 111 -3.704 31.477 -5.704 1.00 75.34 H new ATOM 0 HG2 LYS A 111 -1.364 30.677 -6.739 1.00 13.20 H new ATOM 0 HG3 LYS A 111 -1.229 32.379 -7.135 1.00 13.20 H new ATOM 0 HD2 LYS A 111 -2.156 31.803 -4.366 1.00 73.41 H new ATOM 0 HD3 LYS A 111 -0.519 31.288 -4.721 1.00 73.41 H new ATOM 0 HE2 LYS A 111 -0.597 33.820 -5.860 1.00 1.32 H new ATOM 0 HE3 LYS A 111 -1.622 34.016 -4.452 1.00 1.32 H new ATOM 0 HZ1 LYS A 111 0.683 34.489 -3.931 1.00 61.45 H new ATOM 0 HZ2 LYS A 111 0.160 33.126 -3.064 1.00 61.45 H new ATOM 0 HZ3 LYS A 111 1.154 32.935 -4.428 1.00 61.45 H new ATOM 1719 N HIS A 112 -1.969 29.387 -8.522 1.00 63.12 N ATOM 1720 CA HIS A 112 -0.876 28.961 -9.390 1.00 33.33 C ATOM 1721 C HIS A 112 -1.346 27.888 -10.367 1.00 60.52 C ATOM 1722 O HIS A 112 -1.082 27.968 -11.567 1.00 55.01 O ATOM 1723 CB HIS A 112 0.290 28.431 -8.554 1.00 55.03 C ATOM 1724 CG HIS A 112 0.746 29.383 -7.491 1.00 73.54 C ATOM 1725 ND1 HIS A 112 1.134 29.162 -6.214 1.00 21.13 N flip ATOM 1726 CD2 HIS A 112 0.839 30.744 -7.690 1.00 0.55 C flip ATOM 1727 CE1 HIS A 112 1.453 30.382 -5.669 1.00 72.14 C flip ATOM 1728 NE2 HIS A 112 1.267 31.320 -6.580 1.00 51.21 N flip ATOM 0 H HIS A 112 -2.171 28.748 -7.753 1.00 63.12 H new ATOM 0 HA HIS A 112 -0.540 29.826 -9.962 1.00 33.33 H new ATOM 0 HB2 HIS A 112 -0.006 27.492 -8.087 1.00 55.03 H new ATOM 0 HB3 HIS A 112 1.128 28.208 -9.214 1.00 55.03 H new ATOM 0 HD1 HIS A 112 1.181 28.258 -5.744 1.00 21.13 H new ATOM 0 HD2 HIS A 112 0.600 31.259 -8.609 1.00 0.55 H new ATOM 0 HE1 HIS A 112 1.800 30.547 -4.660 1.00 72.14 H new ATOM 1736 N VAL A 113 -2.042 26.883 -9.846 1.00 34.43 N ATOM 1737 CA VAL A 113 -2.549 25.793 -10.672 1.00 50.51 C ATOM 1738 C VAL A 113 -3.982 26.062 -11.117 1.00 34.13 C ATOM 1739 O VAL A 113 -4.397 25.644 -12.197 1.00 0.10 O ATOM 1740 CB VAL A 113 -2.499 24.449 -9.922 1.00 11.44 C ATOM 1741 CG1 VAL A 113 -2.646 23.289 -10.894 1.00 33.10 C ATOM 1742 CG2 VAL A 113 -1.207 24.330 -9.128 1.00 45.34 C ATOM 0 H VAL A 113 -2.268 26.801 -8.855 1.00 34.43 H new ATOM 0 HA VAL A 113 -1.904 25.734 -11.549 1.00 50.51 H new ATOM 0 HB VAL A 113 -3.334 24.412 -9.222 1.00 11.44 H new ATOM 0 HG11 VAL A 113 -2.608 22.348 -10.346 1.00 33.10 H new ATOM 0 HG12 VAL A 113 -3.601 23.368 -11.413 1.00 33.10 H new ATOM 0 HG13 VAL A 113 -1.834 23.318 -11.621 1.00 33.10 H new ATOM 0 HG21 VAL A 113 -1.189 23.374 -8.604 1.00 45.34 H new ATOM 0 HG22 VAL A 113 -0.356 24.388 -9.807 1.00 45.34 H new ATOM 0 HG23 VAL A 113 -1.149 25.142 -8.403 1.00 45.34 H new ATOM 1752 N GLY A 114 -4.736 26.763 -10.275 1.00 41.31 N ATOM 1753 CA GLY A 114 -6.115 27.076 -10.599 1.00 55.20 C ATOM 1754 C GLY A 114 -6.233 28.185 -11.626 1.00 23.00 C ATOM 1755 O GLY A 114 -7.242 28.291 -12.322 1.00 62.14 O ATOM 0 H GLY A 114 -4.416 27.119 -9.374 1.00 41.31 H new ATOM 0 HA2 GLY A 114 -6.608 26.181 -10.978 1.00 55.20 H new ATOM 0 HA3 GLY A 114 -6.641 27.369 -9.690 1.00 55.20 H new ATOM 1759 N ALA A 115 -5.199 29.015 -11.719 1.00 63.45 N ATOM 1760 CA ALA A 115 -5.190 30.121 -12.669 1.00 31.42 C ATOM 1761 C ALA A 115 -6.414 31.011 -12.485 1.00 52.22 C ATOM 1762 O ALA A 115 -6.735 31.830 -13.348 1.00 30.33 O ATOM 1763 CB ALA A 115 -5.128 29.592 -14.094 1.00 54.13 C ATOM 0 H ALA A 115 -4.357 28.942 -11.148 1.00 63.45 H new ATOM 0 HA ALA A 115 -4.302 30.725 -12.479 1.00 31.42 H new ATOM 0 HB1 ALA A 115 -5.122 30.429 -14.793 1.00 54.13 H new ATOM 0 HB2 ALA A 115 -4.220 29.004 -14.224 1.00 54.13 H new ATOM 0 HB3 ALA A 115 -5.998 28.964 -14.287 1.00 54.13 H new ATOM 1769 N THR A 116 -7.096 30.847 -11.356 1.00 73.50 N ATOM 1770 CA THR A 116 -8.286 31.634 -11.060 1.00 54.02 C ATOM 1771 C THR A 116 -8.251 32.168 -9.633 1.00 15.21 C ATOM 1772 O THR A 116 -8.761 33.253 -9.354 1.00 4.15 O ATOM 1773 CB THR A 116 -9.571 30.806 -11.255 1.00 44.21 C ATOM 1774 OG1 THR A 116 -9.323 29.434 -10.931 1.00 23.32 O ATOM 1775 CG2 THR A 116 -10.070 30.912 -12.688 1.00 72.41 C ATOM 0 H THR A 116 -6.844 30.175 -10.631 1.00 73.50 H new ATOM 0 HA THR A 116 -8.293 32.471 -11.758 1.00 54.02 H new ATOM 0 HB THR A 116 -10.338 31.203 -10.590 1.00 44.21 H new ATOM 0 HG1 THR A 116 -8.673 29.061 -11.563 1.00 23.32 H new ATOM 0 HG21 THR A 116 -10.978 30.320 -12.802 1.00 72.41 H new ATOM 0 HG22 THR A 116 -10.285 31.955 -12.922 1.00 72.41 H new ATOM 0 HG23 THR A 116 -9.305 30.538 -13.368 1.00 72.41 H new ATOM 1783 N ALA A 117 -7.647 31.400 -8.733 1.00 22.50 N ATOM 1784 CA ALA A 117 -7.543 31.797 -7.335 1.00 13.44 C ATOM 1785 C ALA A 117 -8.912 32.145 -6.760 1.00 13.11 C ATOM 1786 O ALA A 117 -9.316 33.308 -6.753 1.00 70.44 O ATOM 1787 CB ALA A 117 -6.593 32.977 -7.190 1.00 71.05 C ATOM 0 H ALA A 117 -7.222 30.498 -8.948 1.00 22.50 H new ATOM 0 HA ALA A 117 -7.145 30.953 -6.772 1.00 13.44 H new ATOM 0 HB1 ALA A 117 -6.525 33.263 -6.140 1.00 71.05 H new ATOM 0 HB2 ALA A 117 -5.605 32.695 -7.554 1.00 71.05 H new ATOM 0 HB3 ALA A 117 -6.968 33.819 -7.772 1.00 71.05 H new ATOM 1793 N ALA A 118 -9.622 31.130 -6.279 1.00 32.12 N ATOM 1794 CA ALA A 118 -10.945 31.329 -5.701 1.00 14.01 C ATOM 1795 C ALA A 118 -10.849 31.941 -4.308 1.00 15.24 C ATOM 1796 O ALA A 118 -11.373 31.390 -3.339 1.00 62.35 O ATOM 1797 CB ALA A 118 -11.703 30.010 -5.649 1.00 44.31 C ATOM 0 H ALA A 118 -9.303 30.161 -6.278 1.00 32.12 H new ATOM 0 HA ALA A 118 -11.491 32.024 -6.338 1.00 14.01 H new ATOM 0 HB1 ALA A 118 -12.689 30.174 -5.215 1.00 44.31 H new ATOM 0 HB2 ALA A 118 -11.812 29.613 -6.658 1.00 44.31 H new ATOM 0 HB3 ALA A 118 -11.151 29.297 -5.036 1.00 44.31 H new ATOM 1803 N SER A 119 -10.177 33.084 -4.213 1.00 60.23 N ATOM 1804 CA SER A 119 -10.009 33.769 -2.937 1.00 24.41 C ATOM 1805 C SER A 119 -9.686 35.244 -3.151 1.00 11.44 C ATOM 1806 O SER A 119 -8.521 35.628 -3.250 1.00 52.32 O ATOM 1807 CB SER A 119 -8.898 33.105 -2.121 1.00 3.13 C ATOM 1808 OG SER A 119 -9.287 32.941 -0.768 1.00 71.01 O ATOM 0 H SER A 119 -9.740 33.555 -5.005 1.00 60.23 H new ATOM 0 HA SER A 119 -10.947 33.697 -2.387 1.00 24.41 H new ATOM 0 HB2 SER A 119 -8.656 32.134 -2.553 1.00 3.13 H new ATOM 0 HB3 SER A 119 -7.993 33.711 -2.172 1.00 3.13 H new ATOM 0 HG SER A 119 -8.561 32.513 -0.268 1.00 71.01 H new ATOM 1814 N ALA A 120 -10.728 36.067 -3.220 1.00 4.10 N ATOM 1815 CA ALA A 120 -10.557 37.501 -3.420 1.00 25.23 C ATOM 1816 C ALA A 120 -9.756 37.787 -4.686 1.00 15.10 C ATOM 1817 O ALA A 120 -9.171 36.882 -5.279 1.00 64.45 O ATOM 1818 CB ALA A 120 -9.876 38.125 -2.211 1.00 24.45 C ATOM 0 H ALA A 120 -11.699 35.765 -3.140 1.00 4.10 H new ATOM 0 HA ALA A 120 -11.545 37.947 -3.537 1.00 25.23 H new ATOM 0 HB1 ALA A 120 -9.755 39.196 -2.374 1.00 24.45 H new ATOM 0 HB2 ALA A 120 -10.487 37.960 -1.324 1.00 24.45 H new ATOM 0 HB3 ALA A 120 -8.897 37.667 -2.068 1.00 24.45 H new ATOM 1824 N SER A 121 -9.737 39.052 -5.095 1.00 22.32 N ATOM 1825 CA SER A 121 -9.012 39.456 -6.294 1.00 11.22 C ATOM 1826 C SER A 121 -8.230 40.743 -6.048 1.00 23.45 C ATOM 1827 O SER A 121 -7.060 40.851 -6.415 1.00 74.13 O ATOM 1828 CB SER A 121 -9.983 39.651 -7.460 1.00 45.53 C ATOM 1829 OG SER A 121 -9.284 39.826 -8.681 1.00 11.41 O ATOM 0 H SER A 121 -10.215 39.814 -4.614 1.00 22.32 H new ATOM 0 HA SER A 121 -8.306 38.665 -6.546 1.00 11.22 H new ATOM 0 HB2 SER A 121 -10.644 38.787 -7.536 1.00 45.53 H new ATOM 0 HB3 SER A 121 -10.614 40.519 -7.271 1.00 45.53 H new ATOM 0 HG SER A 121 -9.926 39.947 -9.411 1.00 11.41 H new ATOM 1835 N ALA A 122 -8.885 41.716 -5.423 1.00 23.45 N ATOM 1836 CA ALA A 122 -8.251 42.994 -5.125 1.00 13.23 C ATOM 1837 C ALA A 122 -8.728 43.544 -3.785 1.00 21.04 C ATOM 1838 O ALA A 122 -8.229 44.564 -3.309 1.00 4.44 O ATOM 1839 CB ALA A 122 -8.531 43.994 -6.237 1.00 73.32 C ATOM 0 H ALA A 122 -9.854 41.643 -5.113 1.00 23.45 H new ATOM 0 HA ALA A 122 -7.175 42.831 -5.060 1.00 13.23 H new ATOM 0 HB1 ALA A 122 -8.051 44.944 -6.001 1.00 73.32 H new ATOM 0 HB2 ALA A 122 -8.136 43.612 -7.178 1.00 73.32 H new ATOM 0 HB3 ALA A 122 -9.607 44.144 -6.329 1.00 73.32 H new TER 1845 ALA A 122