USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 737 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 1 MET CE :methyl 153:sc= 0 (180deg=-0.354) USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0.00194 USER MOD Set 2.1: A 73 ASN : amide:sc= -0.869 K(o=0.35,f=-4.6!) USER MOD Set 2.2: A 75 TYR OH : rot -151:sc= 1.22 USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.0374 (180deg=-0.0561) USER MOD Single : A 3 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.87) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.94! USER MOD Single : A 18 GLN : amide:sc= -5.25! C(o=-5.3!,f=-6.6!) USER MOD Single : A 22 THR OG1 : rot 170:sc= -0.105 USER MOD Single : A 30 SER OG : rot 70:sc= 0.813 USER MOD Single : A 31 TYR OH : rot -140:sc= -0.334 USER MOD Single : A 32 LYS NZ :NH3+ -167:sc=-0.00574 (180deg=-0.122) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00342 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 169:sc=-0.00267 (180deg=-0.259) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0931 USER MOD Single : A 58 GLN : amide:sc= -1.15! C(o=-1.2!,f=-1!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.931 USER MOD Single : A 64 ASN : amide:sc= 0.0757 K(o=0.076,f=-5.2!) USER MOD Single : A 69 TYR OH : rot 180:sc= -1.36 USER MOD Single : A 70 SER OG : rot 19:sc= 0.418 USER MOD Single : A 71 SER OG : rot 180:sc= 0.00518 USER MOD Single : A 82 SER OG : rot -107:sc= 0.536 USER MOD Single : A 87 THR OG1 : rot -22:sc= 0.917 USER MOD Single : A 89 GLN : amide:sc= -1.42 K(o=-1.4,f=-0.71) USER MOD Single : A 91 ASN : amide:sc= -0.0774 X(o=-0.077,f=-0.27) USER MOD Single : A 96 THR OG1 : rot -64:sc= 0.657 USER MOD Single : A 98 LYS NZ :NH3+ -124:sc= -0.0757 (180deg=-0.17) USER MOD Single : A 101 HIS : no HD1:sc= -1.2 X(o=-1.2,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.258 -0.092 3.557 1.00 1.09 N ATOM 2 CA MET A 1 17.096 -0.949 3.892 1.00 0.39 C ATOM 3 C MET A 1 15.800 -0.220 3.581 1.00 0.30 C ATOM 4 O MET A 1 15.740 1.011 3.633 1.00 0.45 O ATOM 5 CB MET A 1 17.134 -1.355 5.368 1.00 1.38 C ATOM 6 CG MET A 1 18.296 -2.271 5.715 1.00 2.13 C ATOM 7 SD MET A 1 18.288 -2.782 7.443 1.00 3.23 S ATOM 8 CE MET A 1 19.729 -3.844 7.489 1.00 3.75 C ATOM 0 H1 MET A 1 18.834 -0.558 2.827 1.00 1.09 H new ATOM 0 H2 MET A 1 17.922 0.825 3.199 1.00 1.09 H new ATOM 0 H3 MET A 1 18.835 0.059 4.409 1.00 1.09 H new ATOM 0 HA MET A 1 17.147 -1.853 3.284 1.00 0.39 H new ATOM 0 HB2 MET A 1 17.194 -0.457 5.982 1.00 1.38 H new ATOM 0 HB3 MET A 1 16.199 -1.854 5.624 1.00 1.38 H new ATOM 0 HG2 MET A 1 18.258 -3.155 5.079 1.00 2.13 H new ATOM 0 HG3 MET A 1 19.234 -1.760 5.496 1.00 2.13 H new ATOM 0 HE1 MET A 1 20.142 -3.853 8.498 1.00 3.75 H new ATOM 0 HE2 MET A 1 19.444 -4.857 7.205 1.00 3.75 H new ATOM 0 HE3 MET A 1 20.479 -3.470 6.793 1.00 3.75 H new ATOM 20 N VAL A 2 14.769 -0.983 3.252 1.00 0.15 N ATOM 21 CA VAL A 2 13.494 -0.412 2.853 1.00 0.10 C ATOM 22 C VAL A 2 12.517 -0.368 4.037 1.00 0.09 C ATOM 23 O VAL A 2 12.651 -1.126 4.995 1.00 0.12 O ATOM 24 CB VAL A 2 12.864 -1.210 1.684 1.00 0.08 C ATOM 25 CG1 VAL A 2 11.641 -0.504 1.163 1.00 0.08 C ATOM 26 CG2 VAL A 2 13.855 -1.414 0.555 1.00 0.09 C ATOM 0 H VAL A 2 14.792 -2.003 3.254 1.00 0.15 H new ATOM 0 HA VAL A 2 13.685 0.607 2.516 1.00 0.10 H new ATOM 0 HB VAL A 2 12.579 -2.188 2.071 1.00 0.08 H new ATOM 0 HG11 VAL A 2 11.211 -1.078 0.342 1.00 0.08 H new ATOM 0 HG12 VAL A 2 10.907 -0.409 1.963 1.00 0.08 H new ATOM 0 HG13 VAL A 2 11.918 0.488 0.806 1.00 0.08 H new ATOM 0 HG21 VAL A 2 13.380 -1.977 -0.248 1.00 0.09 H new ATOM 0 HG22 VAL A 2 14.180 -0.445 0.176 1.00 0.09 H new ATOM 0 HG23 VAL A 2 14.719 -1.967 0.924 1.00 0.09 H new ATOM 36 N GLN A 3 11.560 0.540 3.959 1.00 0.09 N ATOM 37 CA GLN A 3 10.514 0.703 4.947 1.00 0.10 C ATOM 38 C GLN A 3 9.182 0.580 4.229 1.00 0.11 C ATOM 39 O GLN A 3 9.148 0.613 3.000 1.00 0.17 O ATOM 40 CB GLN A 3 10.612 2.080 5.597 1.00 0.16 C ATOM 41 CG GLN A 3 11.896 2.333 6.336 1.00 0.79 C ATOM 42 CD GLN A 3 12.211 1.279 7.378 1.00 1.14 C ATOM 43 OE1 GLN A 3 11.313 0.675 7.969 1.00 1.37 O ATOM 44 NE2 GLN A 3 13.491 1.049 7.611 1.00 2.03 N ATOM 0 H GLN A 3 11.489 1.201 3.185 1.00 0.09 H new ATOM 0 HA GLN A 3 10.611 -0.054 5.725 1.00 0.10 H new ATOM 0 HB2 GLN A 3 10.496 2.841 4.825 1.00 0.16 H new ATOM 0 HB3 GLN A 3 9.779 2.200 6.290 1.00 0.16 H new ATOM 0 HG2 GLN A 3 12.716 2.380 5.619 1.00 0.79 H new ATOM 0 HG3 GLN A 3 11.841 3.307 6.821 1.00 0.79 H new ATOM 0 HE21 GLN A 3 14.204 1.570 7.101 1.00 2.03 H new ATOM 0 HE22 GLN A 3 13.766 0.350 8.301 1.00 2.03 H new ATOM 53 N CYS A 4 8.088 0.435 4.952 1.00 0.12 N ATOM 54 CA CYS A 4 6.815 0.286 4.278 1.00 0.13 C ATOM 55 C CYS A 4 5.664 0.860 5.086 1.00 0.17 C ATOM 56 O CYS A 4 5.702 0.918 6.318 1.00 0.29 O ATOM 57 CB CYS A 4 6.566 -1.180 3.941 1.00 0.17 C ATOM 58 SG CYS A 4 5.721 -2.129 5.239 1.00 0.30 S ATOM 0 H CYS A 4 8.053 0.417 5.971 1.00 0.12 H new ATOM 0 HA CYS A 4 6.865 0.859 3.352 1.00 0.13 H new ATOM 0 HB2 CYS A 4 5.973 -1.232 3.028 1.00 0.17 H new ATOM 0 HB3 CYS A 4 7.523 -1.656 3.727 1.00 0.17 H new ATOM 63 N GLU A 5 4.655 1.293 4.353 1.00 0.14 N ATOM 64 CA GLU A 5 3.456 1.899 4.895 1.00 0.16 C ATOM 65 C GLU A 5 2.277 1.482 4.037 1.00 0.15 C ATOM 66 O GLU A 5 2.453 0.801 3.024 1.00 0.17 O ATOM 67 CB GLU A 5 3.575 3.427 4.897 1.00 0.24 C ATOM 68 CG GLU A 5 4.670 3.960 5.803 1.00 0.33 C ATOM 69 CD GLU A 5 4.792 5.467 5.745 1.00 1.14 C ATOM 70 OE1 GLU A 5 3.795 6.161 6.031 1.00 1.39 O ATOM 71 OE2 GLU A 5 5.888 5.966 5.409 1.00 1.87 O ATOM 0 H GLU A 5 4.648 1.230 3.335 1.00 0.14 H new ATOM 0 HA GLU A 5 3.316 1.566 5.923 1.00 0.16 H new ATOM 0 HB2 GLU A 5 3.762 3.768 3.879 1.00 0.24 H new ATOM 0 HB3 GLU A 5 2.621 3.855 5.206 1.00 0.24 H new ATOM 0 HG2 GLU A 5 4.467 3.655 6.830 1.00 0.33 H new ATOM 0 HG3 GLU A 5 5.622 3.511 5.519 1.00 0.33 H new ATOM 78 N VAL A 6 1.083 1.873 4.441 1.00 0.17 N ATOM 79 CA VAL A 6 -0.123 1.487 3.735 1.00 0.18 C ATOM 80 C VAL A 6 -1.125 2.630 3.650 1.00 0.21 C ATOM 81 O VAL A 6 -1.633 3.127 4.657 1.00 0.33 O ATOM 82 CB VAL A 6 -0.764 0.277 4.394 1.00 0.19 C ATOM 83 CG1 VAL A 6 -0.150 -0.993 3.836 1.00 0.17 C ATOM 84 CG2 VAL A 6 -0.578 0.356 5.902 1.00 0.20 C ATOM 0 H VAL A 6 0.923 2.461 5.259 1.00 0.17 H new ATOM 0 HA VAL A 6 0.169 1.227 2.717 1.00 0.18 H new ATOM 0 HB VAL A 6 -1.833 0.265 4.180 1.00 0.19 H new ATOM 0 HG11 VAL A 6 -0.611 -1.859 4.310 1.00 0.17 H new ATOM 0 HG12 VAL A 6 -0.318 -1.036 2.760 1.00 0.17 H new ATOM 0 HG13 VAL A 6 0.921 -0.998 4.036 1.00 0.17 H new ATOM 0 HG21 VAL A 6 -1.039 -0.513 6.371 1.00 0.20 H new ATOM 0 HG22 VAL A 6 0.486 0.374 6.137 1.00 0.20 H new ATOM 0 HG23 VAL A 6 -1.048 1.264 6.279 1.00 0.20 H new ATOM 94 N GLU A 7 -1.391 3.028 2.423 1.00 0.16 N ATOM 95 CA GLU A 7 -2.170 4.210 2.116 1.00 0.16 C ATOM 96 C GLU A 7 -3.472 3.862 1.428 1.00 0.16 C ATOM 97 O GLU A 7 -3.657 2.767 0.907 1.00 0.28 O ATOM 98 CB GLU A 7 -1.388 5.123 1.176 1.00 0.26 C ATOM 99 CG GLU A 7 -0.203 5.868 1.777 1.00 0.24 C ATOM 100 CD GLU A 7 0.573 5.098 2.823 1.00 1.05 C ATOM 101 OE1 GLU A 7 1.275 4.131 2.448 1.00 2.01 O ATOM 102 OE2 GLU A 7 0.481 5.441 4.011 1.00 1.11 O ATOM 0 H GLU A 7 -1.065 2.529 1.595 1.00 0.16 H new ATOM 0 HA GLU A 7 -2.380 4.704 3.064 1.00 0.16 H new ATOM 0 HB2 GLU A 7 -1.025 4.523 0.342 1.00 0.26 H new ATOM 0 HB3 GLU A 7 -2.079 5.858 0.763 1.00 0.26 H new ATOM 0 HG2 GLU A 7 0.478 6.146 0.973 1.00 0.24 H new ATOM 0 HG3 GLU A 7 -0.564 6.795 2.223 1.00 0.24 H new ATOM 109 N ALA A 8 -4.368 4.816 1.458 1.00 0.14 N ATOM 110 CA ALA A 8 -5.575 4.775 0.672 1.00 0.12 C ATOM 111 C ALA A 8 -5.860 6.190 0.173 1.00 0.15 C ATOM 112 O ALA A 8 -5.930 7.125 0.972 1.00 0.17 O ATOM 113 CB ALA A 8 -6.712 4.257 1.519 1.00 0.13 C ATOM 0 H ALA A 8 -4.279 5.652 2.035 1.00 0.14 H new ATOM 0 HA ALA A 8 -5.463 4.106 -0.181 1.00 0.12 H new ATOM 0 HB1 ALA A 8 -7.625 4.226 0.924 1.00 0.13 H new ATOM 0 HB2 ALA A 8 -6.475 3.253 1.872 1.00 0.13 H new ATOM 0 HB3 ALA A 8 -6.859 4.917 2.374 1.00 0.13 H new ATOM 119 N ALA A 9 -6.004 6.359 -1.128 1.00 0.16 N ATOM 120 CA ALA A 9 -6.162 7.686 -1.709 1.00 0.19 C ATOM 121 C ALA A 9 -7.524 7.843 -2.374 1.00 0.19 C ATOM 122 O ALA A 9 -7.757 7.337 -3.467 1.00 0.20 O ATOM 123 CB ALA A 9 -5.048 7.945 -2.712 1.00 0.22 C ATOM 0 H ALA A 9 -6.015 5.596 -1.805 1.00 0.16 H new ATOM 0 HA ALA A 9 -6.101 8.420 -0.906 1.00 0.19 H new ATOM 0 HB1 ALA A 9 -5.171 8.938 -3.144 1.00 0.22 H new ATOM 0 HB2 ALA A 9 -4.083 7.885 -2.208 1.00 0.22 H new ATOM 0 HB3 ALA A 9 -5.091 7.198 -3.504 1.00 0.22 H new ATOM 129 N VAL A 10 -8.414 8.567 -1.722 1.00 0.22 N ATOM 130 CA VAL A 10 -9.762 8.753 -2.231 1.00 0.23 C ATOM 131 C VAL A 10 -9.814 9.895 -3.243 1.00 0.27 C ATOM 132 O VAL A 10 -9.620 11.061 -2.890 1.00 0.33 O ATOM 133 CB VAL A 10 -10.749 9.023 -1.084 1.00 0.25 C ATOM 134 CG1 VAL A 10 -12.144 9.288 -1.626 1.00 0.29 C ATOM 135 CG2 VAL A 10 -10.760 7.850 -0.112 1.00 0.27 C ATOM 0 H VAL A 10 -8.228 9.038 -0.836 1.00 0.22 H new ATOM 0 HA VAL A 10 -10.054 7.831 -2.734 1.00 0.23 H new ATOM 0 HB VAL A 10 -10.422 9.914 -0.547 1.00 0.25 H new ATOM 0 HG11 VAL A 10 -12.827 9.477 -0.797 1.00 0.29 H new ATOM 0 HG12 VAL A 10 -12.120 10.158 -2.282 1.00 0.29 H new ATOM 0 HG13 VAL A 10 -12.487 8.419 -2.188 1.00 0.29 H new ATOM 0 HG21 VAL A 10 -11.463 8.053 0.696 1.00 0.27 H new ATOM 0 HG22 VAL A 10 -11.063 6.945 -0.638 1.00 0.27 H new ATOM 0 HG23 VAL A 10 -9.761 7.711 0.302 1.00 0.27 H new ATOM 145 N SER A 11 -10.049 9.550 -4.501 1.00 0.29 N ATOM 146 CA SER A 11 -10.095 10.533 -5.568 1.00 0.36 C ATOM 147 C SER A 11 -11.399 10.435 -6.365 1.00 0.45 C ATOM 148 O SER A 11 -11.688 9.397 -6.966 1.00 0.63 O ATOM 149 CB SER A 11 -8.891 10.349 -6.489 1.00 0.45 C ATOM 150 OG SER A 11 -8.943 11.225 -7.603 1.00 1.22 O ATOM 0 H SER A 11 -10.211 8.590 -4.806 1.00 0.29 H new ATOM 0 HA SER A 11 -10.059 11.526 -5.120 1.00 0.36 H new ATOM 0 HB2 SER A 11 -7.973 10.528 -5.928 1.00 0.45 H new ATOM 0 HB3 SER A 11 -8.855 9.317 -6.839 1.00 0.45 H new ATOM 0 HG SER A 11 -8.157 11.081 -8.170 1.00 1.22 H new ATOM 156 N GLY A 12 -12.173 11.519 -6.361 1.00 0.45 N ATOM 157 CA GLY A 12 -13.349 11.639 -7.217 1.00 0.54 C ATOM 158 C GLY A 12 -14.318 10.471 -7.126 1.00 0.49 C ATOM 159 O GLY A 12 -14.677 9.880 -8.145 1.00 0.61 O ATOM 0 H GLY A 12 -12.004 12.332 -5.769 1.00 0.45 H new ATOM 0 HA2 GLY A 12 -13.879 12.555 -6.958 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -13.021 11.742 -8.251 1.00 0.54 H new ATOM 163 N GLY A 13 -14.737 10.128 -5.916 1.00 0.45 N ATOM 164 CA GLY A 13 -15.724 9.072 -5.747 1.00 0.48 C ATOM 165 C GLY A 13 -15.127 7.678 -5.846 1.00 0.41 C ATOM 166 O GLY A 13 -15.806 6.680 -5.599 1.00 0.45 O ATOM 0 H GLY A 13 -14.415 10.558 -5.049 1.00 0.45 H new ATOM 0 HA2 GLY A 13 -16.207 9.186 -4.777 1.00 0.48 H new ATOM 0 HA3 GLY A 13 -16.500 9.183 -6.504 1.00 0.48 H new ATOM 170 N HIS A 14 -13.860 7.605 -6.208 1.00 0.34 N ATOM 171 CA HIS A 14 -13.143 6.345 -6.268 1.00 0.31 C ATOM 172 C HIS A 14 -12.028 6.386 -5.244 1.00 0.30 C ATOM 173 O HIS A 14 -11.695 7.450 -4.736 1.00 0.43 O ATOM 174 CB HIS A 14 -12.554 6.102 -7.663 1.00 0.34 C ATOM 175 CG HIS A 14 -13.567 6.071 -8.766 1.00 0.79 C ATOM 176 ND1 HIS A 14 -13.536 6.934 -9.841 1.00 1.56 N ATOM 177 CD2 HIS A 14 -14.632 5.262 -8.967 1.00 1.57 C ATOM 178 CE1 HIS A 14 -14.539 6.656 -10.652 1.00 1.85 C ATOM 179 NE2 HIS A 14 -15.218 5.646 -10.145 1.00 1.82 N ATOM 0 H HIS A 14 -13.299 8.416 -6.468 1.00 0.34 H new ATOM 0 HA HIS A 14 -13.835 5.530 -6.056 1.00 0.31 H new ATOM 0 HB2 HIS A 14 -11.825 6.884 -7.877 1.00 0.34 H new ATOM 0 HB3 HIS A 14 -12.013 5.155 -7.656 1.00 0.34 H new ATOM 0 HD2 HIS A 14 -14.960 4.462 -8.320 1.00 1.57 H new ATOM 0 HE1 HIS A 14 -14.765 7.169 -11.575 1.00 1.85 H new ATOM 0 HE2 HIS A 14 -16.045 5.219 -10.562 1.00 1.82 H new ATOM 188 N VAL A 15 -11.459 5.249 -4.925 1.00 0.23 N ATOM 189 CA VAL A 15 -10.377 5.215 -3.970 1.00 0.20 C ATOM 190 C VAL A 15 -9.209 4.412 -4.519 1.00 0.18 C ATOM 191 O VAL A 15 -9.335 3.236 -4.817 1.00 0.17 O ATOM 192 CB VAL A 15 -10.850 4.684 -2.583 1.00 0.18 C ATOM 193 CG1 VAL A 15 -11.544 3.325 -2.679 1.00 0.18 C ATOM 194 CG2 VAL A 15 -9.695 4.622 -1.598 1.00 0.17 C ATOM 0 H VAL A 15 -11.724 4.342 -5.309 1.00 0.23 H new ATOM 0 HA VAL A 15 -10.033 6.237 -3.809 1.00 0.20 H new ATOM 0 HB VAL A 15 -11.588 5.397 -2.215 1.00 0.18 H new ATOM 0 HG11 VAL A 15 -11.853 3.003 -1.684 1.00 0.18 H new ATOM 0 HG12 VAL A 15 -12.420 3.409 -3.322 1.00 0.18 H new ATOM 0 HG13 VAL A 15 -10.854 2.593 -3.100 1.00 0.18 H new ATOM 0 HG21 VAL A 15 -10.054 4.248 -0.639 1.00 0.17 H new ATOM 0 HG22 VAL A 15 -8.924 3.954 -1.982 1.00 0.17 H new ATOM 0 HG23 VAL A 15 -9.277 5.620 -1.465 1.00 0.17 H new ATOM 204 N THR A 16 -8.081 5.073 -4.676 1.00 0.17 N ATOM 205 CA THR A 16 -6.875 4.440 -5.162 1.00 0.16 C ATOM 206 C THR A 16 -6.041 4.016 -3.970 1.00 0.14 C ATOM 207 O THR A 16 -5.593 4.849 -3.197 1.00 0.15 O ATOM 208 CB THR A 16 -6.055 5.414 -6.033 1.00 0.20 C ATOM 209 OG1 THR A 16 -6.791 5.773 -7.208 1.00 0.24 O ATOM 210 CG2 THR A 16 -4.716 4.808 -6.420 1.00 0.19 C ATOM 0 H THR A 16 -7.976 6.066 -4.469 1.00 0.17 H new ATOM 0 HA THR A 16 -7.146 3.578 -5.772 1.00 0.16 H new ATOM 0 HB THR A 16 -5.866 6.312 -5.445 1.00 0.20 H new ATOM 0 HG1 THR A 16 -6.260 6.393 -7.750 1.00 0.24 H new ATOM 0 HG21 THR A 16 -4.160 5.517 -7.034 1.00 0.19 H new ATOM 0 HG22 THR A 16 -4.145 4.581 -5.519 1.00 0.19 H new ATOM 0 HG23 THR A 16 -4.881 3.891 -6.985 1.00 0.19 H new ATOM 218 N LEU A 17 -5.834 2.731 -3.820 1.00 0.12 N ATOM 219 CA LEU A 17 -5.202 2.223 -2.629 1.00 0.10 C ATOM 220 C LEU A 17 -3.841 1.636 -2.952 1.00 0.13 C ATOM 221 O LEU A 17 -3.679 0.922 -3.941 1.00 0.17 O ATOM 222 CB LEU A 17 -6.105 1.203 -1.976 1.00 0.11 C ATOM 223 CG LEU A 17 -6.028 1.186 -0.463 1.00 0.10 C ATOM 224 CD1 LEU A 17 -7.410 1.004 0.120 1.00 0.10 C ATOM 225 CD2 LEU A 17 -5.081 0.104 0.008 1.00 0.11 C ATOM 0 H LEU A 17 -6.093 2.021 -4.505 1.00 0.12 H new ATOM 0 HA LEU A 17 -5.041 3.042 -1.928 1.00 0.10 H new ATOM 0 HB2 LEU A 17 -7.134 1.401 -2.274 1.00 0.11 H new ATOM 0 HB3 LEU A 17 -5.849 0.213 -2.353 1.00 0.11 H new ATOM 0 HG LEU A 17 -5.635 2.141 -0.114 1.00 0.10 H new ATOM 0 HD11 LEU A 17 -7.347 0.993 1.208 1.00 0.10 H new ATOM 0 HD12 LEU A 17 -8.050 1.827 -0.198 1.00 0.10 H new ATOM 0 HD13 LEU A 17 -7.831 0.061 -0.229 1.00 0.10 H new ATOM 0 HD21 LEU A 17 -5.038 0.107 1.097 1.00 0.11 H new ATOM 0 HD22 LEU A 17 -5.436 -0.866 -0.339 1.00 0.11 H new ATOM 0 HD23 LEU A 17 -4.086 0.291 -0.395 1.00 0.11 H new ATOM 237 N GLN A 18 -2.869 1.964 -2.115 1.00 0.15 N ATOM 238 CA GLN A 18 -1.475 1.636 -2.358 1.00 0.19 C ATOM 239 C GLN A 18 -0.699 1.591 -1.045 1.00 0.24 C ATOM 240 O GLN A 18 -1.188 2.045 -0.022 1.00 0.51 O ATOM 241 CB GLN A 18 -0.833 2.660 -3.301 1.00 0.32 C ATOM 242 CG GLN A 18 -1.636 3.946 -3.560 1.00 0.78 C ATOM 243 CD GLN A 18 -1.894 4.804 -2.324 1.00 1.03 C ATOM 244 OE1 GLN A 18 -2.887 4.625 -1.623 1.00 1.58 O ATOM 245 NE2 GLN A 18 -1.026 5.770 -2.070 1.00 1.77 N ATOM 0 H GLN A 18 -3.027 2.468 -1.243 1.00 0.15 H new ATOM 0 HA GLN A 18 -1.438 0.653 -2.827 1.00 0.19 H new ATOM 0 HB2 GLN A 18 0.138 2.940 -2.892 1.00 0.32 H new ATOM 0 HB3 GLN A 18 -0.648 2.174 -4.259 1.00 0.32 H new ATOM 0 HG2 GLN A 18 -1.103 4.547 -4.297 1.00 0.78 H new ATOM 0 HG3 GLN A 18 -2.595 3.675 -4.003 1.00 0.78 H new ATOM 0 HE21 GLN A 18 -0.211 5.894 -2.670 1.00 1.77 H new ATOM 0 HE22 GLN A 18 -1.172 6.391 -1.274 1.00 1.77 H new ATOM 254 N GLY A 19 0.503 1.033 -1.068 1.00 0.17 N ATOM 255 CA GLY A 19 1.336 1.028 0.124 1.00 0.18 C ATOM 256 C GLY A 19 2.617 1.821 -0.085 1.00 0.18 C ATOM 257 O GLY A 19 3.366 1.553 -1.024 1.00 0.19 O ATOM 0 H GLY A 19 0.918 0.585 -1.885 1.00 0.17 H new ATOM 0 HA2 GLY A 19 0.778 1.450 0.960 1.00 0.18 H new ATOM 0 HA3 GLY A 19 1.583 0.001 0.392 1.00 0.18 H new ATOM 261 N VAL A 20 2.866 2.803 0.772 1.00 0.17 N ATOM 262 CA VAL A 20 4.026 3.674 0.631 1.00 0.18 C ATOM 263 C VAL A 20 5.266 3.095 1.286 1.00 0.21 C ATOM 264 O VAL A 20 5.345 2.912 2.487 1.00 0.45 O ATOM 265 CB VAL A 20 3.749 5.084 1.186 1.00 0.19 C ATOM 266 CG1 VAL A 20 5.030 5.803 1.564 1.00 0.24 C ATOM 267 CG2 VAL A 20 2.974 5.908 0.176 1.00 0.20 C ATOM 0 H VAL A 20 2.276 3.017 1.576 1.00 0.17 H new ATOM 0 HA VAL A 20 4.217 3.751 -0.439 1.00 0.18 H new ATOM 0 HB VAL A 20 3.152 4.965 2.090 1.00 0.19 H new ATOM 0 HG11 VAL A 20 4.791 6.794 1.951 1.00 0.24 H new ATOM 0 HG12 VAL A 20 5.556 5.232 2.329 1.00 0.24 H new ATOM 0 HG13 VAL A 20 5.666 5.901 0.684 1.00 0.24 H new ATOM 0 HG21 VAL A 20 2.787 6.901 0.584 1.00 0.20 H new ATOM 0 HG22 VAL A 20 3.554 5.996 -0.743 1.00 0.20 H new ATOM 0 HG23 VAL A 20 2.024 5.419 -0.040 1.00 0.20 H new ATOM 277 N ILE A 21 6.234 2.833 0.458 1.00 0.13 N ATOM 278 CA ILE A 21 7.511 2.320 0.875 1.00 0.11 C ATOM 279 C ILE A 21 8.524 3.441 0.994 1.00 0.13 C ATOM 280 O ILE A 21 8.970 3.993 -0.003 1.00 0.14 O ATOM 281 CB ILE A 21 7.997 1.284 -0.150 1.00 0.10 C ATOM 282 CG1 ILE A 21 7.423 -0.070 0.189 1.00 0.10 C ATOM 283 CG2 ILE A 21 9.512 1.209 -0.240 1.00 0.10 C ATOM 284 CD1 ILE A 21 7.576 -1.032 -0.941 1.00 0.10 C ATOM 0 H ILE A 21 6.158 2.972 -0.550 1.00 0.13 H new ATOM 0 HA ILE A 21 7.403 1.850 1.853 1.00 0.11 H new ATOM 0 HB ILE A 21 7.643 1.604 -1.130 1.00 0.10 H new ATOM 0 HG12 ILE A 21 7.922 -0.466 1.074 1.00 0.10 H new ATOM 0 HG13 ILE A 21 6.367 0.034 0.438 1.00 0.10 H new ATOM 0 HG21 ILE A 21 9.796 0.461 -0.980 1.00 0.10 H new ATOM 0 HG22 ILE A 21 9.907 2.181 -0.537 1.00 0.10 H new ATOM 0 HG23 ILE A 21 9.921 0.932 0.732 1.00 0.10 H new ATOM 0 HD11 ILE A 21 7.151 -1.995 -0.659 1.00 0.10 H new ATOM 0 HD12 ILE A 21 7.055 -0.648 -1.818 1.00 0.10 H new ATOM 0 HD13 ILE A 21 8.634 -1.156 -1.172 1.00 0.10 H new ATOM 296 N THR A 22 8.868 3.819 2.198 1.00 0.13 N ATOM 297 CA THR A 22 9.997 4.698 2.358 1.00 0.14 C ATOM 298 C THR A 22 11.235 3.858 2.247 1.00 0.14 C ATOM 299 O THR A 22 11.321 2.808 2.848 1.00 0.18 O ATOM 300 CB THR A 22 10.011 5.428 3.700 1.00 0.16 C ATOM 301 OG1 THR A 22 8.687 5.855 4.043 1.00 0.20 O ATOM 302 CG2 THR A 22 10.937 6.630 3.619 1.00 0.17 C ATOM 0 H THR A 22 8.398 3.542 3.060 1.00 0.13 H new ATOM 0 HA THR A 22 9.941 5.467 1.588 1.00 0.14 H new ATOM 0 HB THR A 22 10.372 4.747 4.471 1.00 0.16 H new ATOM 0 HG1 THR A 22 8.676 6.175 4.969 1.00 0.20 H new ATOM 0 HG21 THR A 22 10.945 7.149 4.578 1.00 0.17 H new ATOM 0 HG22 THR A 22 11.946 6.296 3.379 1.00 0.17 H new ATOM 0 HG23 THR A 22 10.585 7.309 2.842 1.00 0.17 H new ATOM 310 N ALA A 23 12.179 4.277 1.471 1.00 0.12 N ATOM 311 CA ALA A 23 13.368 3.489 1.326 1.00 0.12 C ATOM 312 C ALA A 23 14.560 4.313 1.706 1.00 0.14 C ATOM 313 O ALA A 23 14.795 5.347 1.124 1.00 0.16 O ATOM 314 CB ALA A 23 13.471 2.999 -0.093 1.00 0.11 C ATOM 0 H ALA A 23 12.157 5.144 0.934 1.00 0.12 H new ATOM 0 HA ALA A 23 13.329 2.622 1.985 1.00 0.12 H new ATOM 0 HB1 ALA A 23 14.374 2.399 -0.206 1.00 0.11 H new ATOM 0 HB2 ALA A 23 12.599 2.390 -0.332 1.00 0.11 H new ATOM 0 HB3 ALA A 23 13.514 3.852 -0.770 1.00 0.11 H new ATOM 320 N VAL A 24 15.306 3.859 2.688 1.00 0.16 N ATOM 321 CA VAL A 24 16.416 4.641 3.208 1.00 0.18 C ATOM 322 C VAL A 24 17.597 4.694 2.229 1.00 0.20 C ATOM 323 O VAL A 24 18.561 5.432 2.437 1.00 0.25 O ATOM 324 CB VAL A 24 16.882 4.099 4.573 1.00 0.22 C ATOM 325 CG1 VAL A 24 18.002 4.952 5.142 1.00 0.25 C ATOM 326 CG2 VAL A 24 15.708 4.048 5.530 1.00 0.23 C ATOM 0 H VAL A 24 15.169 2.957 3.144 1.00 0.16 H new ATOM 0 HA VAL A 24 16.049 5.659 3.338 1.00 0.18 H new ATOM 0 HB VAL A 24 17.271 3.090 4.435 1.00 0.22 H new ATOM 0 HG11 VAL A 24 18.313 4.549 6.106 1.00 0.25 H new ATOM 0 HG12 VAL A 24 18.849 4.946 4.456 1.00 0.25 H new ATOM 0 HG13 VAL A 24 17.649 5.975 5.274 1.00 0.25 H new ATOM 0 HG21 VAL A 24 16.041 3.664 6.494 1.00 0.23 H new ATOM 0 HG22 VAL A 24 15.300 5.051 5.660 1.00 0.23 H new ATOM 0 HG23 VAL A 24 14.937 3.392 5.125 1.00 0.23 H new ATOM 336 N ARG A 25 17.530 3.932 1.147 1.00 0.21 N ATOM 337 CA ARG A 25 18.610 3.943 0.176 1.00 0.24 C ATOM 338 C ARG A 25 18.083 4.047 -1.254 1.00 0.23 C ATOM 339 O ARG A 25 17.145 3.343 -1.632 1.00 0.26 O ATOM 340 CB ARG A 25 19.473 2.708 0.347 1.00 0.33 C ATOM 341 CG ARG A 25 20.224 2.703 1.657 1.00 0.40 C ATOM 342 CD ARG A 25 21.360 3.696 1.634 1.00 0.73 C ATOM 343 NE ARG A 25 22.127 3.682 2.877 1.00 0.80 N ATOM 344 CZ ARG A 25 21.994 4.584 3.851 1.00 1.41 C ATOM 345 NH1 ARG A 25 21.091 5.550 3.754 1.00 2.18 N ATOM 346 NH2 ARG A 25 22.759 4.506 4.931 1.00 1.42 N ATOM 0 H ARG A 25 16.754 3.310 0.923 1.00 0.21 H new ATOM 0 HA ARG A 25 19.220 4.828 0.358 1.00 0.24 H new ATOM 0 HB2 ARG A 25 18.845 1.819 0.289 1.00 0.33 H new ATOM 0 HB3 ARG A 25 20.185 2.650 -0.476 1.00 0.33 H new ATOM 0 HG2 ARG A 25 19.542 2.945 2.472 1.00 0.40 H new ATOM 0 HG3 ARG A 25 20.614 1.704 1.853 1.00 0.40 H new ATOM 0 HD2 ARG A 25 22.022 3.470 0.798 1.00 0.73 H new ATOM 0 HD3 ARG A 25 20.963 4.697 1.465 1.00 0.73 H new ATOM 0 HE ARG A 25 22.808 2.934 3.009 1.00 0.80 H new ATOM 0 HH11 ARG A 25 20.492 5.607 2.930 1.00 2.18 H new ATOM 0 HH12 ARG A 25 20.995 6.236 4.503 1.00 2.18 H new ATOM 0 HH21 ARG A 25 23.447 3.758 5.016 1.00 1.42 H new ATOM 0 HH22 ARG A 25 22.660 5.194 5.677 1.00 1.42 H new ATOM 360 N ASP A 26 18.694 4.938 -2.034 1.00 0.23 N ATOM 361 CA ASP A 26 18.289 5.183 -3.413 1.00 0.25 C ATOM 362 C ASP A 26 18.722 4.037 -4.315 1.00 0.24 C ATOM 363 O ASP A 26 19.720 3.363 -4.050 1.00 0.32 O ATOM 364 CB ASP A 26 18.876 6.503 -3.932 1.00 0.31 C ATOM 365 CG ASP A 26 20.388 6.470 -4.071 1.00 0.78 C ATOM 366 OD1 ASP A 26 20.886 6.046 -5.134 1.00 1.54 O ATOM 367 OD2 ASP A 26 21.084 6.875 -3.119 1.00 0.73 O ATOM 0 H ASP A 26 19.482 5.508 -1.726 1.00 0.23 H new ATOM 0 HA ASP A 26 17.201 5.254 -3.430 1.00 0.25 H new ATOM 0 HB2 ASP A 26 18.433 6.734 -4.901 1.00 0.31 H new ATOM 0 HB3 ASP A 26 18.597 7.309 -3.253 1.00 0.31 H new ATOM 372 N GLY A 27 17.963 3.819 -5.371 1.00 0.24 N ATOM 373 CA GLY A 27 18.236 2.739 -6.281 1.00 0.26 C ATOM 374 C GLY A 27 16.974 1.972 -6.567 1.00 0.21 C ATOM 375 O GLY A 27 15.966 2.560 -6.950 1.00 0.23 O ATOM 0 H GLY A 27 17.149 4.383 -5.616 1.00 0.24 H new ATOM 0 HA2 GLY A 27 18.650 3.132 -7.210 1.00 0.26 H new ATOM 0 HA3 GLY A 27 18.986 2.074 -5.853 1.00 0.26 H new ATOM 379 N ALA A 28 17.003 0.677 -6.347 1.00 0.19 N ATOM 380 CA ALA A 28 15.823 -0.143 -6.533 1.00 0.18 C ATOM 381 C ALA A 28 15.711 -1.168 -5.419 1.00 0.24 C ATOM 382 O ALA A 28 16.674 -1.419 -4.695 1.00 0.45 O ATOM 383 CB ALA A 28 15.850 -0.824 -7.893 1.00 0.21 C ATOM 0 H ALA A 28 17.831 0.167 -6.039 1.00 0.19 H new ATOM 0 HA ALA A 28 14.945 0.502 -6.496 1.00 0.18 H new ATOM 0 HB1 ALA A 28 14.955 -1.435 -8.012 1.00 0.21 H new ATOM 0 HB2 ALA A 28 15.881 -0.068 -8.678 1.00 0.21 H new ATOM 0 HB3 ALA A 28 16.734 -1.458 -7.965 1.00 0.21 H new ATOM 389 N GLY A 29 14.531 -1.742 -5.277 1.00 0.15 N ATOM 390 CA GLY A 29 14.296 -2.739 -4.268 1.00 0.19 C ATOM 391 C GLY A 29 13.115 -3.591 -4.642 1.00 0.17 C ATOM 392 O GLY A 29 12.374 -3.249 -5.563 1.00 0.21 O ATOM 0 H GLY A 29 13.719 -1.528 -5.856 1.00 0.15 H new ATOM 0 HA2 GLY A 29 15.181 -3.364 -4.151 1.00 0.19 H new ATOM 0 HA3 GLY A 29 14.116 -2.258 -3.307 1.00 0.19 H new ATOM 396 N SER A 30 12.913 -4.679 -3.937 1.00 0.15 N ATOM 397 CA SER A 30 11.832 -5.585 -4.276 1.00 0.15 C ATOM 398 C SER A 30 10.849 -5.709 -3.122 1.00 0.13 C ATOM 399 O SER A 30 11.243 -5.811 -1.959 1.00 0.14 O ATOM 400 CB SER A 30 12.383 -6.952 -4.684 1.00 0.20 C ATOM 401 OG SER A 30 13.275 -7.475 -3.708 1.00 0.23 O ATOM 0 H SER A 30 13.474 -4.960 -3.133 1.00 0.15 H new ATOM 0 HA SER A 30 11.292 -5.173 -5.129 1.00 0.15 H new ATOM 0 HB2 SER A 30 11.557 -7.648 -4.831 1.00 0.20 H new ATOM 0 HB3 SER A 30 12.900 -6.865 -5.639 1.00 0.20 H new ATOM 0 HG SER A 30 12.771 -7.727 -2.906 1.00 0.23 H new ATOM 407 N TYR A 31 9.568 -5.686 -3.461 1.00 0.13 N ATOM 408 CA TYR A 31 8.499 -5.670 -2.475 1.00 0.11 C ATOM 409 C TYR A 31 7.190 -6.180 -3.080 1.00 0.13 C ATOM 410 O TYR A 31 7.039 -6.235 -4.300 1.00 0.18 O ATOM 411 CB TYR A 31 8.329 -4.261 -1.912 1.00 0.10 C ATOM 412 CG TYR A 31 8.951 -3.161 -2.749 1.00 0.09 C ATOM 413 CD1 TYR A 31 8.345 -2.751 -3.925 1.00 0.11 C ATOM 414 CD2 TYR A 31 10.125 -2.507 -2.347 1.00 0.08 C ATOM 415 CE1 TYR A 31 8.877 -1.734 -4.681 1.00 0.12 C ATOM 416 CE2 TYR A 31 10.657 -1.477 -3.103 1.00 0.09 C ATOM 417 CZ TYR A 31 10.029 -1.098 -4.268 1.00 0.11 C ATOM 418 OH TYR A 31 10.544 -0.069 -5.016 1.00 0.13 O ATOM 0 H TYR A 31 9.241 -5.678 -4.427 1.00 0.13 H new ATOM 0 HA TYR A 31 8.768 -6.340 -1.658 1.00 0.11 H new ATOM 0 HB2 TYR A 31 7.264 -4.056 -1.801 1.00 0.10 H new ATOM 0 HB3 TYR A 31 8.765 -4.229 -0.914 1.00 0.10 H new ATOM 0 HD1 TYR A 31 7.439 -3.239 -4.253 1.00 0.11 H new ATOM 0 HD2 TYR A 31 10.620 -2.811 -1.436 1.00 0.08 H new ATOM 0 HE1 TYR A 31 8.393 -1.433 -5.598 1.00 0.12 H new ATOM 0 HE2 TYR A 31 11.557 -0.975 -2.782 1.00 0.09 H new ATOM 0 HH TYR A 31 11.521 -0.139 -5.039 1.00 0.13 H new ATOM 428 N LYS A 32 6.253 -6.553 -2.219 1.00 0.13 N ATOM 429 CA LYS A 32 4.985 -7.142 -2.645 1.00 0.14 C ATOM 430 C LYS A 32 3.804 -6.489 -1.937 1.00 0.14 C ATOM 431 O LYS A 32 3.609 -6.685 -0.736 1.00 0.13 O ATOM 432 CB LYS A 32 4.981 -8.644 -2.340 1.00 0.16 C ATOM 433 CG LYS A 32 5.842 -9.025 -1.154 1.00 0.17 C ATOM 434 CD LYS A 32 7.248 -9.412 -1.587 1.00 0.25 C ATOM 435 CE LYS A 32 7.258 -10.758 -2.290 1.00 0.40 C ATOM 436 NZ LYS A 32 7.019 -11.879 -1.345 1.00 1.26 N ATOM 0 H LYS A 32 6.347 -6.457 -1.208 1.00 0.13 H new ATOM 0 HA LYS A 32 4.884 -6.975 -3.717 1.00 0.14 H new ATOM 0 HB2 LYS A 32 3.956 -8.965 -2.152 1.00 0.16 H new ATOM 0 HB3 LYS A 32 5.329 -9.186 -3.220 1.00 0.16 H new ATOM 0 HG2 LYS A 32 5.892 -8.189 -0.456 1.00 0.17 H new ATOM 0 HG3 LYS A 32 5.382 -9.858 -0.622 1.00 0.17 H new ATOM 0 HD2 LYS A 32 7.649 -8.648 -2.253 1.00 0.25 H new ATOM 0 HD3 LYS A 32 7.902 -9.450 -0.716 1.00 0.25 H new ATOM 0 HE2 LYS A 32 6.492 -10.768 -3.066 1.00 0.40 H new ATOM 0 HE3 LYS A 32 8.217 -10.901 -2.787 1.00 0.40 H new ATOM 0 HZ1 LYS A 32 7.249 -12.780 -1.810 1.00 1.26 H new ATOM 0 HZ2 LYS A 32 7.621 -11.759 -0.505 1.00 1.26 H new ATOM 0 HZ3 LYS A 32 6.020 -11.883 -1.057 1.00 1.26 H new ATOM 450 N LEU A 33 3.001 -5.739 -2.676 1.00 0.17 N ATOM 451 CA LEU A 33 1.816 -5.120 -2.104 1.00 0.17 C ATOM 452 C LEU A 33 0.571 -5.911 -2.482 1.00 0.19 C ATOM 453 O LEU A 33 0.318 -6.190 -3.654 1.00 0.27 O ATOM 454 CB LEU A 33 1.698 -3.643 -2.537 1.00 0.22 C ATOM 455 CG LEU A 33 0.479 -2.855 -2.007 1.00 0.25 C ATOM 456 CD1 LEU A 33 -0.752 -3.141 -2.840 1.00 0.55 C ATOM 457 CD2 LEU A 33 0.198 -3.171 -0.539 1.00 0.49 C ATOM 0 H LEU A 33 3.147 -5.545 -3.667 1.00 0.17 H new ATOM 0 HA LEU A 33 1.909 -5.134 -1.018 1.00 0.17 H new ATOM 0 HB2 LEU A 33 2.602 -3.123 -2.220 1.00 0.22 H new ATOM 0 HB3 LEU A 33 1.676 -3.609 -3.626 1.00 0.22 H new ATOM 0 HG LEU A 33 0.723 -1.796 -2.086 1.00 0.25 H new ATOM 0 HD11 LEU A 33 -1.597 -2.575 -2.447 1.00 0.55 H new ATOM 0 HD12 LEU A 33 -0.568 -2.848 -3.874 1.00 0.55 H new ATOM 0 HD13 LEU A 33 -0.979 -4.206 -2.800 1.00 0.55 H new ATOM 0 HD21 LEU A 33 -0.666 -2.598 -0.202 1.00 0.49 H new ATOM 0 HD22 LEU A 33 -0.007 -4.236 -0.429 1.00 0.49 H new ATOM 0 HD23 LEU A 33 1.067 -2.905 0.063 1.00 0.49 H new ATOM 469 N ALA A 34 -0.193 -6.272 -1.471 1.00 0.16 N ATOM 470 CA ALA A 34 -1.465 -6.943 -1.662 1.00 0.19 C ATOM 471 C ALA A 34 -2.570 -6.166 -0.955 1.00 0.18 C ATOM 472 O ALA A 34 -2.417 -5.776 0.200 1.00 0.25 O ATOM 473 CB ALA A 34 -1.387 -8.371 -1.144 1.00 0.25 C ATOM 0 H ALA A 34 0.049 -6.109 -0.494 1.00 0.16 H new ATOM 0 HA ALA A 34 -1.696 -6.981 -2.727 1.00 0.19 H new ATOM 0 HB1 ALA A 34 -2.347 -8.865 -1.293 1.00 0.25 H new ATOM 0 HB2 ALA A 34 -0.612 -8.913 -1.687 1.00 0.25 H new ATOM 0 HB3 ALA A 34 -1.145 -8.360 -0.081 1.00 0.25 H new ATOM 479 N VAL A 35 -3.670 -5.929 -1.647 1.00 0.16 N ATOM 480 CA VAL A 35 -4.774 -5.162 -1.086 1.00 0.14 C ATOM 481 C VAL A 35 -5.946 -6.085 -0.757 1.00 0.16 C ATOM 482 O VAL A 35 -6.194 -7.060 -1.458 1.00 0.23 O ATOM 483 CB VAL A 35 -5.234 -4.038 -2.048 1.00 0.16 C ATOM 484 CG1 VAL A 35 -6.343 -3.213 -1.431 1.00 0.13 C ATOM 485 CG2 VAL A 35 -4.068 -3.145 -2.425 1.00 0.21 C ATOM 0 H VAL A 35 -3.825 -6.256 -2.601 1.00 0.16 H new ATOM 0 HA VAL A 35 -4.419 -4.692 -0.169 1.00 0.14 H new ATOM 0 HB VAL A 35 -5.620 -4.511 -2.951 1.00 0.16 H new ATOM 0 HG11 VAL A 35 -6.646 -2.432 -2.128 1.00 0.13 H new ATOM 0 HG12 VAL A 35 -7.196 -3.855 -1.213 1.00 0.13 H new ATOM 0 HG13 VAL A 35 -5.986 -2.757 -0.507 1.00 0.13 H new ATOM 0 HG21 VAL A 35 -4.413 -2.362 -3.101 1.00 0.21 H new ATOM 0 HG22 VAL A 35 -3.652 -2.691 -1.526 1.00 0.21 H new ATOM 0 HG23 VAL A 35 -3.300 -3.739 -2.920 1.00 0.21 H new ATOM 495 N ASP A 36 -6.650 -5.777 0.314 1.00 0.19 N ATOM 496 CA ASP A 36 -7.758 -6.598 0.781 1.00 0.24 C ATOM 497 C ASP A 36 -9.024 -5.761 0.881 1.00 0.25 C ATOM 498 O ASP A 36 -9.089 -4.819 1.663 1.00 0.31 O ATOM 499 CB ASP A 36 -7.417 -7.190 2.153 1.00 0.33 C ATOM 500 CG ASP A 36 -8.556 -7.989 2.759 1.00 1.05 C ATOM 501 OD1 ASP A 36 -9.455 -7.376 3.373 1.00 1.67 O ATOM 502 OD2 ASP A 36 -8.580 -9.227 2.596 1.00 1.52 O ATOM 0 H ASP A 36 -6.473 -4.952 0.887 1.00 0.19 H new ATOM 0 HA ASP A 36 -7.926 -7.407 0.070 1.00 0.24 H new ATOM 0 HB2 ASP A 36 -6.542 -7.833 2.057 1.00 0.33 H new ATOM 0 HB3 ASP A 36 -7.146 -6.382 2.833 1.00 0.33 H new ATOM 507 N LYS A 37 -10.026 -6.085 0.084 1.00 0.28 N ATOM 508 CA LYS A 37 -11.279 -5.354 0.150 1.00 0.33 C ATOM 509 C LYS A 37 -12.354 -6.207 0.777 1.00 0.46 C ATOM 510 O LYS A 37 -12.340 -7.433 0.668 1.00 0.63 O ATOM 511 CB LYS A 37 -11.756 -4.900 -1.214 1.00 0.42 C ATOM 512 CG LYS A 37 -10.682 -4.272 -2.066 1.00 0.95 C ATOM 513 CD LYS A 37 -11.193 -3.865 -3.444 1.00 0.77 C ATOM 514 CE LYS A 37 -11.869 -5.005 -4.189 1.00 1.13 C ATOM 515 NZ LYS A 37 -12.417 -4.558 -5.499 1.00 1.34 N ATOM 0 H LYS A 37 -9.999 -6.836 -0.606 1.00 0.28 H new ATOM 0 HA LYS A 37 -11.090 -4.470 0.759 1.00 0.33 H new ATOM 0 HB2 LYS A 37 -12.171 -5.757 -1.745 1.00 0.42 H new ATOM 0 HB3 LYS A 37 -12.566 -4.183 -1.083 1.00 0.42 H new ATOM 0 HG2 LYS A 37 -10.285 -3.395 -1.556 1.00 0.95 H new ATOM 0 HG3 LYS A 37 -9.857 -4.975 -2.181 1.00 0.95 H new ATOM 0 HD2 LYS A 37 -11.898 -3.041 -3.335 1.00 0.77 H new ATOM 0 HD3 LYS A 37 -10.359 -3.494 -4.039 1.00 0.77 H new ATOM 0 HE2 LYS A 37 -11.152 -5.810 -4.350 1.00 1.13 H new ATOM 0 HE3 LYS A 37 -12.674 -5.413 -3.578 1.00 1.13 H new ATOM 0 HZ1 LYS A 37 -12.870 -5.362 -5.978 1.00 1.34 H new ATOM 0 HZ2 LYS A 37 -13.119 -3.807 -5.343 1.00 1.34 H new ATOM 0 HZ3 LYS A 37 -11.645 -4.192 -6.092 1.00 1.34 H new ATOM 529 N ALA A 38 -13.283 -5.548 1.424 1.00 0.41 N ATOM 530 CA ALA A 38 -14.402 -6.222 2.045 1.00 0.52 C ATOM 531 C ALA A 38 -15.625 -5.321 2.065 1.00 0.47 C ATOM 532 O ALA A 38 -15.710 -4.389 2.862 1.00 0.43 O ATOM 533 CB ALA A 38 -14.033 -6.661 3.451 1.00 0.60 C ATOM 0 H ALA A 38 -13.288 -4.534 1.536 1.00 0.41 H new ATOM 0 HA ALA A 38 -14.645 -7.108 1.458 1.00 0.52 H new ATOM 0 HB1 ALA A 38 -14.883 -7.167 3.909 1.00 0.60 H new ATOM 0 HB2 ALA A 38 -13.184 -7.343 3.408 1.00 0.60 H new ATOM 0 HB3 ALA A 38 -13.767 -5.788 4.047 1.00 0.60 H new ATOM 539 N GLY A 39 -16.568 -5.610 1.188 1.00 0.57 N ATOM 540 CA GLY A 39 -17.789 -4.837 1.130 1.00 0.60 C ATOM 541 C GLY A 39 -18.991 -5.695 1.445 1.00 0.81 C ATOM 542 O GLY A 39 -18.844 -6.807 1.955 1.00 0.96 O ATOM 0 H GLY A 39 -16.511 -6.370 0.511 1.00 0.57 H new ATOM 0 HA2 GLY A 39 -17.733 -4.010 1.838 1.00 0.60 H new ATOM 0 HA3 GLY A 39 -17.900 -4.400 0.137 1.00 0.60 H new ATOM 546 N ALA A 40 -20.177 -5.204 1.122 1.00 0.90 N ATOM 547 CA ALA A 40 -21.405 -5.940 1.394 1.00 1.14 C ATOM 548 C ALA A 40 -21.563 -7.121 0.444 1.00 1.33 C ATOM 549 O ALA A 40 -22.324 -8.051 0.714 1.00 1.57 O ATOM 550 CB ALA A 40 -22.606 -5.023 1.297 1.00 1.24 C ATOM 0 H ALA A 40 -20.317 -4.300 0.671 1.00 0.90 H new ATOM 0 HA ALA A 40 -21.342 -6.330 2.410 1.00 1.14 H new ATOM 0 HB1 ALA A 40 -23.514 -5.590 1.503 1.00 1.24 H new ATOM 0 HB2 ALA A 40 -22.508 -4.217 2.024 1.00 1.24 H new ATOM 0 HB3 ALA A 40 -22.662 -4.601 0.293 1.00 1.24 H new ATOM 556 N ALA A 41 -20.841 -7.081 -0.667 1.00 1.28 N ATOM 557 CA ALA A 41 -20.891 -8.154 -1.648 1.00 1.49 C ATOM 558 C ALA A 41 -19.862 -9.236 -1.336 1.00 1.45 C ATOM 559 O ALA A 41 -19.850 -10.295 -1.966 1.00 1.72 O ATOM 560 CB ALA A 41 -20.679 -7.604 -3.050 1.00 1.58 C ATOM 0 H ALA A 41 -20.213 -6.315 -0.911 1.00 1.28 H new ATOM 0 HA ALA A 41 -21.880 -8.609 -1.598 1.00 1.49 H new ATOM 0 HB1 ALA A 41 -20.719 -8.420 -3.771 1.00 1.58 H new ATOM 0 HB2 ALA A 41 -21.460 -6.879 -3.278 1.00 1.58 H new ATOM 0 HB3 ALA A 41 -19.705 -7.118 -3.107 1.00 1.58 H new ATOM 566 N GLY A 42 -18.993 -8.971 -0.368 1.00 1.19 N ATOM 567 CA GLY A 42 -18.013 -9.960 0.029 1.00 1.21 C ATOM 568 C GLY A 42 -16.601 -9.418 0.077 1.00 1.01 C ATOM 569 O GLY A 42 -16.376 -8.221 -0.116 1.00 0.86 O ATOM 0 H GLY A 42 -18.950 -8.091 0.147 1.00 1.19 H new ATOM 0 HA2 GLY A 42 -18.278 -10.350 1.011 1.00 1.21 H new ATOM 0 HA3 GLY A 42 -18.050 -10.798 -0.667 1.00 1.21 H new ATOM 573 N THR A 43 -15.656 -10.304 0.338 1.00 1.03 N ATOM 574 CA THR A 43 -14.258 -9.939 0.439 1.00 0.88 C ATOM 575 C THR A 43 -13.522 -10.223 -0.867 1.00 0.82 C ATOM 576 O THR A 43 -13.725 -11.267 -1.488 1.00 0.92 O ATOM 577 CB THR A 43 -13.582 -10.713 1.581 1.00 0.97 C ATOM 578 OG1 THR A 43 -13.835 -12.117 1.437 1.00 1.14 O ATOM 579 CG2 THR A 43 -14.095 -10.241 2.932 1.00 1.00 C ATOM 0 H THR A 43 -15.839 -11.297 0.486 1.00 1.03 H new ATOM 0 HA THR A 43 -14.209 -8.870 0.646 1.00 0.88 H new ATOM 0 HB THR A 43 -12.509 -10.528 1.531 1.00 0.97 H new ATOM 0 HG1 THR A 43 -13.400 -12.604 2.167 1.00 1.14 H new ATOM 0 HG21 THR A 43 -13.602 -10.803 3.725 1.00 1.00 H new ATOM 0 HG22 THR A 43 -13.880 -9.179 3.052 1.00 1.00 H new ATOM 0 HG23 THR A 43 -15.172 -10.402 2.989 1.00 1.00 H new ATOM 587 N SER A 44 -12.666 -9.300 -1.268 1.00 0.73 N ATOM 588 CA SER A 44 -11.926 -9.427 -2.513 1.00 0.69 C ATOM 589 C SER A 44 -10.433 -9.233 -2.260 1.00 0.59 C ATOM 590 O SER A 44 -10.037 -8.343 -1.506 1.00 0.60 O ATOM 591 CB SER A 44 -12.435 -8.397 -3.515 1.00 0.72 C ATOM 592 OG SER A 44 -13.843 -8.488 -3.668 1.00 1.15 O ATOM 0 H SER A 44 -12.465 -8.448 -0.745 1.00 0.73 H new ATOM 0 HA SER A 44 -12.078 -10.426 -2.922 1.00 0.69 H new ATOM 0 HB2 SER A 44 -12.166 -7.395 -3.180 1.00 0.72 H new ATOM 0 HB3 SER A 44 -11.950 -8.552 -4.479 1.00 0.72 H new ATOM 0 HG SER A 44 -14.146 -7.816 -4.314 1.00 1.15 H new ATOM 598 N ARG A 45 -9.610 -10.060 -2.890 1.00 0.63 N ATOM 599 CA ARG A 45 -8.179 -10.059 -2.625 1.00 0.60 C ATOM 600 C ARG A 45 -7.369 -9.587 -3.832 1.00 0.51 C ATOM 601 O ARG A 45 -7.451 -10.154 -4.924 1.00 0.65 O ATOM 602 CB ARG A 45 -7.727 -11.457 -2.205 1.00 0.78 C ATOM 603 CG ARG A 45 -8.333 -11.923 -0.894 1.00 1.48 C ATOM 604 CD ARG A 45 -7.723 -11.187 0.286 1.00 1.56 C ATOM 605 NE ARG A 45 -6.334 -11.585 0.523 1.00 1.96 N ATOM 606 CZ ARG A 45 -5.654 -11.285 1.631 1.00 2.32 C ATOM 607 NH1 ARG A 45 -6.206 -10.524 2.565 1.00 2.28 N ATOM 608 NH2 ARG A 45 -4.414 -11.731 1.793 1.00 3.08 N ATOM 0 H ARG A 45 -9.910 -10.740 -3.588 1.00 0.63 H new ATOM 0 HA ARG A 45 -7.996 -9.354 -1.815 1.00 0.60 H new ATOM 0 HB2 ARG A 45 -7.991 -12.166 -2.990 1.00 0.78 H new ATOM 0 HB3 ARG A 45 -6.641 -11.468 -2.118 1.00 0.78 H new ATOM 0 HG2 ARG A 45 -9.411 -11.760 -0.910 1.00 1.48 H new ATOM 0 HG3 ARG A 45 -8.175 -12.995 -0.778 1.00 1.48 H new ATOM 0 HD2 ARG A 45 -7.766 -10.113 0.105 1.00 1.56 H new ATOM 0 HD3 ARG A 45 -8.314 -11.384 1.181 1.00 1.56 H new ATOM 0 HE ARG A 45 -5.858 -12.123 -0.201 1.00 1.96 H new ATOM 0 HH11 ARG A 45 -7.153 -10.166 2.438 1.00 2.28 H new ATOM 0 HH12 ARG A 45 -5.684 -10.296 3.411 1.00 2.28 H new ATOM 0 HH21 ARG A 45 -3.980 -12.304 1.070 1.00 3.08 H new ATOM 0 HH22 ARG A 45 -3.896 -11.501 2.641 1.00 3.08 H new ATOM 622 N ILE A 46 -6.592 -8.540 -3.614 1.00 0.38 N ATOM 623 CA ILE A 46 -5.679 -8.007 -4.612 1.00 0.33 C ATOM 624 C ILE A 46 -4.257 -8.385 -4.227 1.00 0.30 C ATOM 625 O ILE A 46 -3.906 -8.325 -3.053 1.00 0.34 O ATOM 626 CB ILE A 46 -5.782 -6.476 -4.716 1.00 0.35 C ATOM 627 CG1 ILE A 46 -7.163 -6.065 -5.224 1.00 0.44 C ATOM 628 CG2 ILE A 46 -4.706 -5.930 -5.636 1.00 0.45 C ATOM 629 CD1 ILE A 46 -8.227 -6.002 -4.150 1.00 0.40 C ATOM 0 H ILE A 46 -6.577 -8.031 -2.730 1.00 0.38 H new ATOM 0 HA ILE A 46 -5.946 -8.430 -5.581 1.00 0.33 H new ATOM 0 HB ILE A 46 -5.636 -6.057 -3.720 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -7.086 -5.088 -5.701 1.00 0.44 H new ATOM 0 HG13 ILE A 46 -7.480 -6.771 -5.992 1.00 0.44 H new ATOM 0 HG21 ILE A 46 -4.795 -4.845 -5.697 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -3.724 -6.192 -5.243 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -4.825 -6.360 -6.630 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -9.176 -5.703 -4.595 1.00 0.40 H new ATOM 0 HD12 ILE A 46 -8.336 -6.983 -3.688 1.00 0.40 H new ATOM 0 HD13 ILE A 46 -7.936 -5.274 -3.392 1.00 0.40 H new ATOM 641 N LYS A 47 -3.446 -8.796 -5.185 1.00 0.31 N ATOM 642 CA LYS A 47 -2.077 -9.177 -4.882 1.00 0.38 C ATOM 643 C LYS A 47 -1.137 -8.822 -6.026 1.00 0.41 C ATOM 644 O LYS A 47 -1.335 -9.247 -7.164 1.00 0.51 O ATOM 645 CB LYS A 47 -2.017 -10.668 -4.561 1.00 0.51 C ATOM 646 CG LYS A 47 -0.727 -11.118 -3.887 1.00 0.91 C ATOM 647 CD LYS A 47 0.399 -11.323 -4.884 1.00 1.56 C ATOM 648 CE LYS A 47 1.696 -11.684 -4.185 1.00 2.17 C ATOM 649 NZ LYS A 47 2.777 -12.006 -5.153 1.00 2.74 N ATOM 0 H LYS A 47 -3.706 -8.874 -6.168 1.00 0.31 H new ATOM 0 HA LYS A 47 -1.744 -8.616 -4.009 1.00 0.38 H new ATOM 0 HB2 LYS A 47 -2.857 -10.922 -3.915 1.00 0.51 H new ATOM 0 HB3 LYS A 47 -2.145 -11.231 -5.485 1.00 0.51 H new ATOM 0 HG2 LYS A 47 -0.426 -10.374 -3.149 1.00 0.91 H new ATOM 0 HG3 LYS A 47 -0.906 -12.048 -3.347 1.00 0.91 H new ATOM 0 HD2 LYS A 47 0.128 -12.114 -5.584 1.00 1.56 H new ATOM 0 HD3 LYS A 47 0.540 -10.414 -5.469 1.00 1.56 H new ATOM 0 HE2 LYS A 47 2.011 -10.854 -3.553 1.00 2.17 H new ATOM 0 HE3 LYS A 47 1.529 -12.539 -3.530 1.00 2.17 H new ATOM 0 HZ1 LYS A 47 3.686 -12.064 -4.651 1.00 2.74 H new ATOM 0 HZ2 LYS A 47 2.574 -12.918 -5.609 1.00 2.74 H new ATOM 0 HZ3 LYS A 47 2.828 -11.261 -5.877 1.00 2.74 H new ATOM 663 N GLN A 48 -0.124 -8.026 -5.714 1.00 0.40 N ATOM 664 CA GLN A 48 0.927 -7.696 -6.663 1.00 0.47 C ATOM 665 C GLN A 48 2.292 -7.922 -6.022 1.00 0.50 C ATOM 666 O GLN A 48 2.388 -8.101 -4.805 1.00 0.78 O ATOM 667 CB GLN A 48 0.801 -6.244 -7.135 1.00 0.52 C ATOM 668 CG GLN A 48 -0.384 -5.999 -8.057 1.00 0.55 C ATOM 669 CD GLN A 48 -0.476 -4.559 -8.519 1.00 0.82 C ATOM 670 OE1 GLN A 48 0.529 -3.858 -8.616 1.00 1.63 O ATOM 671 NE2 GLN A 48 -1.683 -4.111 -8.821 1.00 1.37 N ATOM 0 H GLN A 48 -0.009 -7.592 -4.798 1.00 0.40 H new ATOM 0 HA GLN A 48 0.825 -8.346 -7.532 1.00 0.47 H new ATOM 0 HB2 GLN A 48 0.712 -5.595 -6.264 1.00 0.52 H new ATOM 0 HB3 GLN A 48 1.717 -5.959 -7.652 1.00 0.52 H new ATOM 0 HG2 GLN A 48 -0.304 -6.651 -8.927 1.00 0.55 H new ATOM 0 HG3 GLN A 48 -1.304 -6.270 -7.539 1.00 0.55 H new ATOM 0 HE21 GLN A 48 -2.493 -4.724 -8.727 1.00 1.37 H new ATOM 0 HE22 GLN A 48 -1.804 -3.152 -9.148 1.00 1.37 H new ATOM 680 N ALA A 49 3.338 -7.937 -6.840 1.00 0.32 N ATOM 681 CA ALA A 49 4.700 -8.122 -6.353 1.00 0.31 C ATOM 682 C ALA A 49 5.706 -7.829 -7.451 1.00 0.31 C ATOM 683 O ALA A 49 5.384 -7.916 -8.637 1.00 0.39 O ATOM 684 CB ALA A 49 4.902 -9.534 -5.824 1.00 0.33 C ATOM 0 H ALA A 49 3.268 -7.822 -7.851 1.00 0.32 H new ATOM 0 HA ALA A 49 4.860 -7.420 -5.534 1.00 0.31 H new ATOM 0 HB1 ALA A 49 5.926 -9.646 -5.467 1.00 0.33 H new ATOM 0 HB2 ALA A 49 4.209 -9.717 -5.003 1.00 0.33 H new ATOM 0 HB3 ALA A 49 4.716 -10.252 -6.623 1.00 0.33 H new ATOM 690 N GLY A 50 6.915 -7.472 -7.055 1.00 0.25 N ATOM 691 CA GLY A 50 7.965 -7.210 -8.013 1.00 0.26 C ATOM 692 C GLY A 50 9.049 -6.341 -7.429 1.00 0.23 C ATOM 693 O GLY A 50 9.246 -6.316 -6.213 1.00 0.25 O ATOM 0 H GLY A 50 7.190 -7.358 -6.079 1.00 0.25 H new ATOM 0 HA2 GLY A 50 8.396 -8.154 -8.348 1.00 0.26 H new ATOM 0 HA3 GLY A 50 7.542 -6.723 -8.892 1.00 0.26 H new ATOM 697 N ALA A 51 9.745 -5.625 -8.289 1.00 0.23 N ATOM 698 CA ALA A 51 10.800 -4.739 -7.857 1.00 0.21 C ATOM 699 C ALA A 51 10.658 -3.393 -8.549 1.00 0.23 C ATOM 700 O ALA A 51 10.399 -3.330 -9.750 1.00 0.38 O ATOM 701 CB ALA A 51 12.153 -5.353 -8.149 1.00 0.23 C ATOM 0 H ALA A 51 9.595 -5.642 -9.298 1.00 0.23 H new ATOM 0 HA ALA A 51 10.721 -4.587 -6.781 1.00 0.21 H new ATOM 0 HB1 ALA A 51 12.939 -4.675 -7.818 1.00 0.23 H new ATOM 0 HB2 ALA A 51 12.245 -6.301 -7.618 1.00 0.23 H new ATOM 0 HB3 ALA A 51 12.250 -5.526 -9.221 1.00 0.23 H new ATOM 707 N PHE A 52 10.824 -2.326 -7.792 1.00 0.15 N ATOM 708 CA PHE A 52 10.657 -0.984 -8.312 1.00 0.16 C ATOM 709 C PHE A 52 11.773 -0.092 -7.766 1.00 0.14 C ATOM 710 O PHE A 52 12.541 -0.510 -6.893 1.00 0.16 O ATOM 711 CB PHE A 52 9.260 -0.461 -7.937 1.00 0.17 C ATOM 712 CG PHE A 52 8.950 0.931 -8.410 1.00 0.18 C ATOM 713 CD1 PHE A 52 8.885 1.228 -9.761 1.00 0.24 C ATOM 714 CD2 PHE A 52 8.731 1.945 -7.493 1.00 0.16 C ATOM 715 CE1 PHE A 52 8.606 2.512 -10.188 1.00 0.26 C ATOM 716 CE2 PHE A 52 8.454 3.232 -7.912 1.00 0.18 C ATOM 717 CZ PHE A 52 8.389 3.516 -9.261 1.00 0.23 C ATOM 0 H PHE A 52 11.077 -2.365 -6.805 1.00 0.15 H new ATOM 0 HA PHE A 52 10.729 -0.981 -9.400 1.00 0.16 H new ATOM 0 HB2 PHE A 52 8.513 -1.141 -8.346 1.00 0.17 H new ATOM 0 HB3 PHE A 52 9.158 -0.490 -6.852 1.00 0.17 H new ATOM 0 HD1 PHE A 52 9.054 0.448 -10.488 1.00 0.24 H new ATOM 0 HD2 PHE A 52 8.777 1.727 -6.436 1.00 0.16 H new ATOM 0 HE1 PHE A 52 8.557 2.732 -11.244 1.00 0.26 H new ATOM 0 HE2 PHE A 52 8.289 4.014 -7.186 1.00 0.18 H new ATOM 0 HZ PHE A 52 8.169 4.520 -9.592 1.00 0.23 H new ATOM 727 N THR A 53 11.867 1.122 -8.277 1.00 0.15 N ATOM 728 CA THR A 53 12.931 2.030 -7.899 1.00 0.16 C ATOM 729 C THR A 53 12.558 2.824 -6.661 1.00 0.16 C ATOM 730 O THR A 53 11.457 3.368 -6.568 1.00 0.27 O ATOM 731 CB THR A 53 13.263 2.995 -9.042 1.00 0.21 C ATOM 732 OG1 THR A 53 12.210 2.976 -10.021 1.00 0.43 O ATOM 733 CG2 THR A 53 14.589 2.626 -9.685 1.00 0.40 C ATOM 0 H THR A 53 11.213 1.503 -8.960 1.00 0.15 H new ATOM 0 HA THR A 53 13.810 1.424 -7.679 1.00 0.16 H new ATOM 0 HB THR A 53 13.350 4.002 -8.635 1.00 0.21 H new ATOM 0 HG1 THR A 53 12.428 3.596 -10.748 1.00 0.43 H new ATOM 0 HG21 THR A 53 14.807 3.323 -10.494 1.00 0.40 H new ATOM 0 HG22 THR A 53 15.382 2.677 -8.939 1.00 0.40 H new ATOM 0 HG23 THR A 53 14.531 1.613 -10.084 1.00 0.40 H new ATOM 741 N ALA A 54 13.478 2.905 -5.720 1.00 0.13 N ATOM 742 CA ALA A 54 13.208 3.561 -4.458 1.00 0.13 C ATOM 743 C ALA A 54 14.312 4.553 -4.107 1.00 0.14 C ATOM 744 O ALA A 54 15.492 4.223 -4.159 1.00 0.23 O ATOM 745 CB ALA A 54 13.032 2.523 -3.356 1.00 0.15 C ATOM 0 H ALA A 54 14.420 2.524 -5.807 1.00 0.13 H new ATOM 0 HA ALA A 54 12.280 4.126 -4.553 1.00 0.13 H new ATOM 0 HB1 ALA A 54 12.829 3.027 -2.411 1.00 0.15 H new ATOM 0 HB2 ALA A 54 12.197 1.867 -3.604 1.00 0.15 H new ATOM 0 HB3 ALA A 54 13.943 1.932 -3.264 1.00 0.15 H new ATOM 751 N ILE A 55 13.918 5.775 -3.778 1.00 0.17 N ATOM 752 CA ILE A 55 14.862 6.818 -3.390 1.00 0.18 C ATOM 753 C ILE A 55 15.071 6.824 -1.889 1.00 0.16 C ATOM 754 O ILE A 55 14.130 6.627 -1.123 1.00 0.14 O ATOM 755 CB ILE A 55 14.375 8.198 -3.837 1.00 0.21 C ATOM 756 CG1 ILE A 55 14.373 8.267 -5.355 1.00 0.26 C ATOM 757 CG2 ILE A 55 15.238 9.299 -3.247 1.00 0.23 C ATOM 758 CD1 ILE A 55 15.367 9.247 -5.932 1.00 0.33 C ATOM 0 H ILE A 55 12.942 6.072 -3.772 1.00 0.17 H new ATOM 0 HA ILE A 55 15.808 6.599 -3.885 1.00 0.18 H new ATOM 0 HB ILE A 55 13.359 8.349 -3.472 1.00 0.21 H new ATOM 0 HG12 ILE A 55 14.585 7.275 -5.753 1.00 0.26 H new ATOM 0 HG13 ILE A 55 13.373 8.539 -5.694 1.00 0.26 H new ATOM 0 HG21 ILE A 55 14.869 10.269 -3.581 1.00 0.23 H new ATOM 0 HG22 ILE A 55 15.196 9.250 -2.159 1.00 0.23 H new ATOM 0 HG23 ILE A 55 16.269 9.169 -3.577 1.00 0.23 H new ATOM 0 HD11 ILE A 55 15.301 9.234 -7.020 1.00 0.33 H new ATOM 0 HD12 ILE A 55 15.144 10.249 -5.567 1.00 0.33 H new ATOM 0 HD13 ILE A 55 16.375 8.965 -5.627 1.00 0.33 H new ATOM 770 N ALA A 56 16.313 7.059 -1.491 1.00 0.17 N ATOM 771 CA ALA A 56 16.684 7.077 -0.079 1.00 0.18 C ATOM 772 C ALA A 56 15.962 8.173 0.686 1.00 0.17 C ATOM 773 O ALA A 56 16.020 9.348 0.315 1.00 0.20 O ATOM 774 CB ALA A 56 18.179 7.234 0.106 1.00 0.22 C ATOM 0 H ALA A 56 17.087 7.241 -2.129 1.00 0.17 H new ATOM 0 HA ALA A 56 16.378 6.112 0.326 1.00 0.18 H new ATOM 0 HB1 ALA A 56 18.415 7.243 1.170 1.00 0.22 H new ATOM 0 HB2 ALA A 56 18.694 6.401 -0.373 1.00 0.22 H new ATOM 0 HB3 ALA A 56 18.505 8.171 -0.346 1.00 0.22 H new ATOM 780 N GLU A 57 15.287 7.762 1.755 1.00 0.16 N ATOM 781 CA GLU A 57 14.536 8.660 2.614 1.00 0.18 C ATOM 782 C GLU A 57 13.439 9.344 1.813 1.00 0.19 C ATOM 783 O GLU A 57 13.081 10.493 2.055 1.00 0.28 O ATOM 784 CB GLU A 57 15.477 9.662 3.272 1.00 0.23 C ATOM 785 CG GLU A 57 16.583 8.987 4.070 1.00 0.27 C ATOM 786 CD GLU A 57 17.627 9.963 4.558 1.00 0.74 C ATOM 787 OE1 GLU A 57 18.567 10.268 3.793 1.00 1.33 O ATOM 788 OE2 GLU A 57 17.520 10.426 5.713 1.00 0.75 O ATOM 0 H GLU A 57 15.248 6.786 2.049 1.00 0.16 H new ATOM 0 HA GLU A 57 14.056 8.092 3.411 1.00 0.18 H new ATOM 0 HB2 GLU A 57 15.922 10.295 2.505 1.00 0.23 H new ATOM 0 HB3 GLU A 57 14.904 10.314 3.931 1.00 0.23 H new ATOM 0 HG2 GLU A 57 16.146 8.471 4.925 1.00 0.27 H new ATOM 0 HG3 GLU A 57 17.062 8.229 3.451 1.00 0.27 H new ATOM 795 N GLN A 58 12.918 8.596 0.854 1.00 0.16 N ATOM 796 CA GLN A 58 11.833 9.027 0.014 1.00 0.18 C ATOM 797 C GLN A 58 10.734 7.999 0.061 1.00 0.17 C ATOM 798 O GLN A 58 10.986 6.800 0.186 1.00 0.19 O ATOM 799 CB GLN A 58 12.290 9.211 -1.413 1.00 0.20 C ATOM 800 CG GLN A 58 12.277 10.657 -1.869 1.00 0.28 C ATOM 801 CD GLN A 58 11.404 11.558 -1.013 1.00 0.70 C ATOM 802 OE1 GLN A 58 10.203 11.682 -1.244 1.00 1.38 O ATOM 803 NE2 GLN A 58 12.006 12.213 -0.036 1.00 1.48 N ATOM 0 H GLN A 58 13.250 7.655 0.640 1.00 0.16 H new ATOM 0 HA GLN A 58 11.468 9.986 0.382 1.00 0.18 H new ATOM 0 HB2 GLN A 58 13.300 8.814 -1.517 1.00 0.20 H new ATOM 0 HB3 GLN A 58 11.648 8.625 -2.071 1.00 0.20 H new ATOM 0 HG2 GLN A 58 13.297 11.041 -1.862 1.00 0.28 H new ATOM 0 HG3 GLN A 58 11.928 10.701 -2.901 1.00 0.28 H new ATOM 0 HE21 GLN A 58 13.005 12.084 0.125 1.00 1.48 H new ATOM 0 HE22 GLN A 58 11.472 12.848 0.557 1.00 1.48 H new ATOM 812 N ARG A 59 9.525 8.481 -0.023 1.00 0.16 N ATOM 813 CA ARG A 59 8.356 7.628 -0.006 1.00 0.17 C ATOM 814 C ARG A 59 8.063 7.097 -1.402 1.00 0.17 C ATOM 815 O ARG A 59 7.873 7.870 -2.341 1.00 0.22 O ATOM 816 CB ARG A 59 7.153 8.403 0.509 1.00 0.24 C ATOM 817 CG ARG A 59 6.906 8.271 2.005 1.00 0.30 C ATOM 818 CD ARG A 59 8.078 8.746 2.825 1.00 0.44 C ATOM 819 NE ARG A 59 7.844 8.571 4.257 1.00 1.37 N ATOM 820 CZ ARG A 59 8.243 9.426 5.199 1.00 1.72 C ATOM 821 NH1 ARG A 59 8.863 10.551 4.870 1.00 1.51 N ATOM 822 NH2 ARG A 59 8.023 9.152 6.475 1.00 2.72 N ATOM 0 H ARG A 59 9.316 9.476 -0.105 1.00 0.16 H new ATOM 0 HA ARG A 59 8.553 6.786 0.657 1.00 0.17 H new ATOM 0 HB2 ARG A 59 7.287 9.458 0.268 1.00 0.24 H new ATOM 0 HB3 ARG A 59 6.264 8.064 -0.024 1.00 0.24 H new ATOM 0 HG2 ARG A 59 6.020 8.845 2.276 1.00 0.30 H new ATOM 0 HG3 ARG A 59 6.697 7.229 2.245 1.00 0.30 H new ATOM 0 HD2 ARG A 59 8.973 8.196 2.533 1.00 0.44 H new ATOM 0 HD3 ARG A 59 8.267 9.798 2.613 1.00 0.44 H new ATOM 0 HE ARG A 59 7.340 7.736 4.557 1.00 1.37 H new ATOM 0 HH11 ARG A 59 9.038 10.769 3.889 1.00 1.51 H new ATOM 0 HH12 ARG A 59 9.164 11.199 5.598 1.00 1.51 H new ATOM 0 HH21 ARG A 59 7.549 8.288 6.737 1.00 2.72 H new ATOM 0 HH22 ARG A 59 8.328 9.805 7.197 1.00 2.72 H new ATOM 836 N VAL A 60 8.028 5.786 -1.531 1.00 0.13 N ATOM 837 CA VAL A 60 7.768 5.135 -2.800 1.00 0.14 C ATOM 838 C VAL A 60 6.477 4.355 -2.717 1.00 0.13 C ATOM 839 O VAL A 60 6.407 3.341 -2.037 1.00 0.12 O ATOM 840 CB VAL A 60 8.926 4.182 -3.175 1.00 0.14 C ATOM 841 CG1 VAL A 60 8.548 3.285 -4.348 1.00 0.15 C ATOM 842 CG2 VAL A 60 10.162 4.993 -3.505 1.00 0.15 C ATOM 0 H VAL A 60 8.179 5.140 -0.757 1.00 0.13 H new ATOM 0 HA VAL A 60 7.685 5.901 -3.571 1.00 0.14 H new ATOM 0 HB VAL A 60 9.133 3.536 -2.322 1.00 0.14 H new ATOM 0 HG11 VAL A 60 9.384 2.627 -4.587 1.00 0.15 H new ATOM 0 HG12 VAL A 60 7.678 2.685 -4.081 1.00 0.15 H new ATOM 0 HG13 VAL A 60 8.312 3.901 -5.216 1.00 0.15 H new ATOM 0 HG21 VAL A 60 10.978 4.321 -3.769 1.00 0.15 H new ATOM 0 HG22 VAL A 60 9.950 5.654 -4.345 1.00 0.15 H new ATOM 0 HG23 VAL A 60 10.449 5.588 -2.638 1.00 0.15 H new ATOM 852 N THR A 61 5.454 4.798 -3.413 1.00 0.15 N ATOM 853 CA THR A 61 4.179 4.142 -3.276 1.00 0.15 C ATOM 854 C THR A 61 4.061 2.978 -4.232 1.00 0.16 C ATOM 855 O THR A 61 4.327 3.103 -5.431 1.00 0.19 O ATOM 856 CB THR A 61 2.995 5.093 -3.453 1.00 0.17 C ATOM 857 OG1 THR A 61 3.321 6.391 -2.942 1.00 0.19 O ATOM 858 CG2 THR A 61 1.805 4.532 -2.708 1.00 0.19 C ATOM 0 H THR A 61 5.478 5.586 -4.060 1.00 0.15 H new ATOM 0 HA THR A 61 4.139 3.769 -2.252 1.00 0.15 H new ATOM 0 HB THR A 61 2.759 5.189 -4.513 1.00 0.17 H new ATOM 0 HG1 THR A 61 2.556 6.992 -3.062 1.00 0.19 H new ATOM 0 HG21 THR A 61 0.953 5.202 -2.826 1.00 0.19 H new ATOM 0 HG22 THR A 61 1.554 3.550 -3.110 1.00 0.19 H new ATOM 0 HG23 THR A 61 2.049 4.439 -1.650 1.00 0.19 H new ATOM 866 N VAL A 62 3.664 1.848 -3.682 1.00 0.15 N ATOM 867 CA VAL A 62 3.689 0.604 -4.399 1.00 0.15 C ATOM 868 C VAL A 62 2.312 -0.055 -4.456 1.00 0.15 C ATOM 869 O VAL A 62 1.588 -0.090 -3.459 1.00 0.16 O ATOM 870 CB VAL A 62 4.735 -0.331 -3.748 1.00 0.14 C ATOM 871 CG1 VAL A 62 4.458 -1.805 -4.014 1.00 0.14 C ATOM 872 CG2 VAL A 62 6.128 0.060 -4.222 1.00 0.16 C ATOM 0 H VAL A 62 3.317 1.774 -2.726 1.00 0.15 H new ATOM 0 HA VAL A 62 3.973 0.803 -5.432 1.00 0.15 H new ATOM 0 HB VAL A 62 4.667 -0.204 -2.668 1.00 0.14 H new ATOM 0 HG11 VAL A 62 5.225 -2.412 -3.533 1.00 0.14 H new ATOM 0 HG12 VAL A 62 3.480 -2.070 -3.612 1.00 0.14 H new ATOM 0 HG13 VAL A 62 4.471 -1.990 -5.088 1.00 0.14 H new ATOM 0 HG21 VAL A 62 6.866 -0.598 -3.764 1.00 0.16 H new ATOM 0 HG22 VAL A 62 6.183 -0.033 -5.307 1.00 0.16 H new ATOM 0 HG23 VAL A 62 6.334 1.091 -3.935 1.00 0.16 H new ATOM 882 N GLY A 63 1.961 -0.551 -5.642 1.00 0.18 N ATOM 883 CA GLY A 63 0.707 -1.258 -5.833 1.00 0.21 C ATOM 884 C GLY A 63 -0.499 -0.359 -5.697 1.00 0.20 C ATOM 885 O GLY A 63 -1.305 -0.530 -4.788 1.00 0.28 O ATOM 0 H GLY A 63 2.533 -0.473 -6.483 1.00 0.18 H new ATOM 0 HA2 GLY A 63 0.702 -1.718 -6.821 1.00 0.21 H new ATOM 0 HA3 GLY A 63 0.636 -2.066 -5.105 1.00 0.21 H new ATOM 889 N ASN A 64 -0.631 0.596 -6.603 1.00 0.33 N ATOM 890 CA ASN A 64 -1.769 1.493 -6.582 1.00 0.40 C ATOM 891 C ASN A 64 -2.905 0.899 -7.396 1.00 0.37 C ATOM 892 O ASN A 64 -2.849 0.826 -8.623 1.00 0.52 O ATOM 893 CB ASN A 64 -1.395 2.893 -7.104 1.00 0.67 C ATOM 894 CG ASN A 64 -0.830 2.896 -8.518 1.00 1.31 C ATOM 895 OD1 ASN A 64 -0.134 1.967 -8.934 1.00 2.17 O ATOM 896 ND2 ASN A 64 -1.129 3.944 -9.269 1.00 1.98 N ATOM 0 H ASN A 64 0.033 0.768 -7.358 1.00 0.33 H new ATOM 0 HA ASN A 64 -2.094 1.611 -5.548 1.00 0.40 H new ATOM 0 HB2 ASN A 64 -2.280 3.528 -7.076 1.00 0.67 H new ATOM 0 HB3 ASN A 64 -0.662 3.337 -6.430 1.00 0.67 H new ATOM 0 HD21 ASN A 64 -0.781 4.002 -10.226 1.00 1.98 H new ATOM 0 HD22 ASN A 64 -1.708 4.694 -8.891 1.00 1.98 H new ATOM 903 N VAL A 65 -3.932 0.461 -6.698 1.00 0.25 N ATOM 904 CA VAL A 65 -5.099 -0.121 -7.336 1.00 0.33 C ATOM 905 C VAL A 65 -6.326 0.724 -7.014 1.00 0.27 C ATOM 906 O VAL A 65 -6.469 1.216 -5.899 1.00 0.35 O ATOM 907 CB VAL A 65 -5.311 -1.593 -6.899 1.00 0.43 C ATOM 908 CG1 VAL A 65 -4.032 -2.395 -7.113 1.00 1.29 C ATOM 909 CG2 VAL A 65 -5.762 -1.696 -5.448 1.00 1.10 C ATOM 0 H VAL A 65 -3.984 0.497 -5.680 1.00 0.25 H new ATOM 0 HA VAL A 65 -4.940 -0.128 -8.414 1.00 0.33 H new ATOM 0 HB VAL A 65 -6.105 -2.009 -7.519 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -4.194 -3.427 -6.802 1.00 1.29 H new ATOM 0 HG12 VAL A 65 -3.760 -2.372 -8.168 1.00 1.29 H new ATOM 0 HG13 VAL A 65 -3.226 -1.960 -6.521 1.00 1.29 H new ATOM 0 HG21 VAL A 65 -5.899 -2.744 -5.183 1.00 1.10 H new ATOM 0 HG22 VAL A 65 -5.006 -1.254 -4.800 1.00 1.10 H new ATOM 0 HG23 VAL A 65 -6.705 -1.164 -5.321 1.00 1.10 H new ATOM 919 N VAL A 66 -7.197 0.924 -7.988 1.00 0.25 N ATOM 920 CA VAL A 66 -8.310 1.843 -7.803 1.00 0.23 C ATOM 921 C VAL A 66 -9.619 1.105 -7.564 1.00 0.24 C ATOM 922 O VAL A 66 -10.040 0.263 -8.360 1.00 0.27 O ATOM 923 CB VAL A 66 -8.460 2.807 -8.994 1.00 0.28 C ATOM 924 CG1 VAL A 66 -9.551 3.833 -8.723 1.00 0.30 C ATOM 925 CG2 VAL A 66 -7.137 3.496 -9.283 1.00 0.29 C ATOM 0 H VAL A 66 -7.159 0.471 -8.901 1.00 0.25 H new ATOM 0 HA VAL A 66 -8.079 2.429 -6.914 1.00 0.23 H new ATOM 0 HB VAL A 66 -8.750 2.229 -9.872 1.00 0.28 H new ATOM 0 HG11 VAL A 66 -9.640 4.504 -9.577 1.00 0.30 H new ATOM 0 HG12 VAL A 66 -10.500 3.321 -8.563 1.00 0.30 H new ATOM 0 HG13 VAL A 66 -9.295 4.410 -7.834 1.00 0.30 H new ATOM 0 HG21 VAL A 66 -7.257 4.175 -10.127 1.00 0.29 H new ATOM 0 HG22 VAL A 66 -6.821 4.061 -8.406 1.00 0.29 H new ATOM 0 HG23 VAL A 66 -6.382 2.748 -9.524 1.00 0.29 H new ATOM 935 N LEU A 67 -10.244 1.436 -6.448 1.00 0.22 N ATOM 936 CA LEU A 67 -11.505 0.846 -6.036 1.00 0.23 C ATOM 937 C LEU A 67 -12.597 1.905 -6.097 1.00 0.24 C ATOM 938 O LEU A 67 -12.308 3.090 -6.258 1.00 0.26 O ATOM 939 CB LEU A 67 -11.431 0.335 -4.591 1.00 0.21 C ATOM 940 CG LEU A 67 -10.193 -0.470 -4.176 1.00 0.19 C ATOM 941 CD1 LEU A 67 -9.823 -1.496 -5.237 1.00 0.25 C ATOM 942 CD2 LEU A 67 -9.009 0.431 -3.862 1.00 0.18 C ATOM 0 H LEU A 67 -9.885 2.131 -5.794 1.00 0.22 H new ATOM 0 HA LEU A 67 -11.721 0.013 -6.705 1.00 0.23 H new ATOM 0 HB2 LEU A 67 -11.507 1.196 -3.928 1.00 0.21 H new ATOM 0 HB3 LEU A 67 -12.309 -0.285 -4.410 1.00 0.21 H new ATOM 0 HG LEU A 67 -10.451 -1.003 -3.261 1.00 0.19 H new ATOM 0 HD11 LEU A 67 -8.942 -2.051 -4.915 1.00 0.25 H new ATOM 0 HD12 LEU A 67 -10.654 -2.186 -5.381 1.00 0.25 H new ATOM 0 HD13 LEU A 67 -9.607 -0.987 -6.176 1.00 0.25 H new ATOM 0 HD21 LEU A 67 -8.154 -0.180 -3.573 1.00 0.18 H new ATOM 0 HD22 LEU A 67 -8.754 1.018 -4.745 1.00 0.18 H new ATOM 0 HD23 LEU A 67 -9.269 1.102 -3.043 1.00 0.18 H new ATOM 954 N ASP A 68 -13.846 1.486 -5.977 1.00 0.26 N ATOM 955 CA ASP A 68 -14.930 2.432 -5.764 1.00 0.28 C ATOM 956 C ASP A 68 -14.883 2.916 -4.319 1.00 0.28 C ATOM 957 O ASP A 68 -14.797 2.109 -3.389 1.00 0.30 O ATOM 958 CB ASP A 68 -16.297 1.809 -6.089 1.00 0.32 C ATOM 959 CG ASP A 68 -16.693 0.679 -5.155 1.00 0.79 C ATOM 960 OD1 ASP A 68 -16.121 -0.427 -5.277 1.00 0.92 O ATOM 961 OD2 ASP A 68 -17.557 0.897 -4.279 1.00 1.25 O ATOM 0 H ASP A 68 -14.133 0.508 -6.023 1.00 0.26 H new ATOM 0 HA ASP A 68 -14.800 3.278 -6.440 1.00 0.28 H new ATOM 0 HB2 ASP A 68 -17.060 2.587 -6.047 1.00 0.32 H new ATOM 0 HB3 ASP A 68 -16.281 1.433 -7.112 1.00 0.32 H new ATOM 966 N TYR A 69 -14.904 4.226 -4.128 1.00 0.28 N ATOM 967 CA TYR A 69 -14.789 4.795 -2.793 1.00 0.27 C ATOM 968 C TYR A 69 -16.073 4.631 -1.999 1.00 0.27 C ATOM 969 O TYR A 69 -17.159 4.978 -2.466 1.00 0.30 O ATOM 970 CB TYR A 69 -14.421 6.275 -2.859 1.00 0.29 C ATOM 971 CG TYR A 69 -14.732 7.014 -1.587 1.00 0.28 C ATOM 972 CD1 TYR A 69 -14.104 6.672 -0.402 1.00 0.26 C ATOM 973 CD2 TYR A 69 -15.657 8.049 -1.574 1.00 0.31 C ATOM 974 CE1 TYR A 69 -14.398 7.342 0.776 1.00 0.27 C ATOM 975 CE2 TYR A 69 -15.954 8.721 -0.409 1.00 0.32 C ATOM 976 CZ TYR A 69 -15.326 8.361 0.762 1.00 0.30 C ATOM 977 OH TYR A 69 -15.636 9.014 1.926 1.00 0.33 O ATOM 0 H TYR A 69 -14.999 4.913 -4.876 1.00 0.28 H new ATOM 0 HA TYR A 69 -13.995 4.248 -2.285 1.00 0.27 H new ATOM 0 HB2 TYR A 69 -13.357 6.370 -3.077 1.00 0.29 H new ATOM 0 HB3 TYR A 69 -14.959 6.741 -3.685 1.00 0.29 H new ATOM 0 HD1 TYR A 69 -13.376 5.874 -0.395 1.00 0.26 H new ATOM 0 HD2 TYR A 69 -16.151 8.332 -2.492 1.00 0.31 H new ATOM 0 HE1 TYR A 69 -13.904 7.068 1.696 1.00 0.27 H new ATOM 0 HE2 TYR A 69 -16.675 9.525 -0.414 1.00 0.32 H new ATOM 0 HH TYR A 69 -16.306 9.706 1.745 1.00 0.33 H new ATOM 987 N SER A 70 -15.941 4.073 -0.808 1.00 0.25 N ATOM 988 CA SER A 70 -17.020 4.054 0.146 1.00 0.27 C ATOM 989 C SER A 70 -16.464 4.224 1.555 1.00 0.29 C ATOM 990 O SER A 70 -15.565 3.492 1.964 1.00 0.28 O ATOM 991 CB SER A 70 -17.804 2.769 0.001 1.00 0.30 C ATOM 992 OG SER A 70 -18.679 2.829 -1.113 1.00 0.99 O ATOM 0 H SER A 70 -15.085 3.624 -0.483 1.00 0.25 H new ATOM 0 HA SER A 70 -17.701 4.883 -0.044 1.00 0.27 H new ATOM 0 HB2 SER A 70 -17.117 1.931 -0.117 1.00 0.30 H new ATOM 0 HB3 SER A 70 -18.378 2.585 0.909 1.00 0.30 H new ATOM 0 HG SER A 70 -18.392 3.546 -1.716 1.00 0.99 H new ATOM 998 N SER A 71 -16.986 5.202 2.283 1.00 0.36 N ATOM 999 CA SER A 71 -16.503 5.501 3.626 1.00 0.42 C ATOM 1000 C SER A 71 -16.907 4.413 4.614 1.00 0.43 C ATOM 1001 O SER A 71 -16.249 4.205 5.632 1.00 0.50 O ATOM 1002 CB SER A 71 -17.032 6.852 4.078 1.00 0.50 C ATOM 1003 OG SER A 71 -18.435 6.941 3.898 1.00 0.54 O ATOM 0 H SER A 71 -17.746 5.804 1.966 1.00 0.36 H new ATOM 0 HA SER A 71 -15.414 5.535 3.598 1.00 0.42 H new ATOM 0 HB2 SER A 71 -16.787 7.008 5.129 1.00 0.50 H new ATOM 0 HB3 SER A 71 -16.540 7.645 3.515 1.00 0.50 H new ATOM 0 HG SER A 71 -18.748 7.820 4.199 1.00 0.54 H new ATOM 1009 N ALA A 72 -17.991 3.717 4.302 1.00 0.39 N ATOM 1010 CA ALA A 72 -18.477 2.636 5.143 1.00 0.43 C ATOM 1011 C ALA A 72 -17.920 1.297 4.676 1.00 0.40 C ATOM 1012 O ALA A 72 -18.309 0.237 5.172 1.00 0.50 O ATOM 1013 CB ALA A 72 -19.992 2.615 5.132 1.00 0.47 C ATOM 0 H ALA A 72 -18.553 3.884 3.467 1.00 0.39 H new ATOM 0 HA ALA A 72 -18.134 2.806 6.164 1.00 0.43 H new ATOM 0 HB1 ALA A 72 -20.349 1.802 5.764 1.00 0.47 H new ATOM 0 HB2 ALA A 72 -20.372 3.564 5.511 1.00 0.47 H new ATOM 0 HB3 ALA A 72 -20.346 2.464 4.112 1.00 0.47 H new ATOM 1019 N ASN A 73 -17.000 1.352 3.726 1.00 0.32 N ATOM 1020 CA ASN A 73 -16.415 0.145 3.160 1.00 0.30 C ATOM 1021 C ASN A 73 -15.217 -0.290 3.984 1.00 0.33 C ATOM 1022 O ASN A 73 -14.679 0.484 4.780 1.00 0.47 O ATOM 1023 CB ASN A 73 -15.961 0.390 1.724 1.00 0.32 C ATOM 1024 CG ASN A 73 -16.123 -0.838 0.847 1.00 0.53 C ATOM 1025 OD1 ASN A 73 -16.005 -1.968 1.309 1.00 1.32 O ATOM 1026 ND2 ASN A 73 -16.403 -0.625 -0.428 1.00 0.95 N ATOM 0 H ASN A 73 -16.641 2.221 3.330 1.00 0.32 H new ATOM 0 HA ASN A 73 -17.176 -0.636 3.170 1.00 0.30 H new ATOM 0 HB2 ASN A 73 -16.535 1.214 1.300 1.00 0.32 H new ATOM 0 HB3 ASN A 73 -14.915 0.697 1.724 1.00 0.32 H new ATOM 0 HD21 ASN A 73 -16.528 -1.415 -1.061 1.00 0.95 H new ATOM 0 HD22 ASN A 73 -16.494 0.329 -0.778 1.00 0.95 H new ATOM 1033 N ARG A 74 -14.800 -1.527 3.801 1.00 0.32 N ATOM 1034 CA ARG A 74 -13.576 -1.991 4.400 1.00 0.35 C ATOM 1035 C ARG A 74 -12.549 -2.253 3.317 1.00 0.27 C ATOM 1036 O ARG A 74 -12.663 -3.193 2.535 1.00 0.32 O ATOM 1037 CB ARG A 74 -13.828 -3.238 5.240 1.00 0.48 C ATOM 1038 CG ARG A 74 -14.702 -2.972 6.456 1.00 0.73 C ATOM 1039 CD ARG A 74 -14.066 -1.939 7.372 1.00 1.02 C ATOM 1040 NE ARG A 74 -14.966 -1.496 8.433 1.00 1.49 N ATOM 1041 CZ ARG A 74 -15.255 -0.214 8.671 1.00 1.89 C ATOM 1042 NH1 ARG A 74 -14.815 0.735 7.851 1.00 2.10 N ATOM 1043 NH2 ARG A 74 -16.008 0.122 9.709 1.00 2.50 N ATOM 0 H ARG A 74 -15.293 -2.224 3.243 1.00 0.32 H new ATOM 0 HA ARG A 74 -13.187 -1.222 5.067 1.00 0.35 H new ATOM 0 HB2 ARG A 74 -14.302 -3.998 4.619 1.00 0.48 H new ATOM 0 HB3 ARG A 74 -12.872 -3.646 5.569 1.00 0.48 H new ATOM 0 HG2 ARG A 74 -15.682 -2.622 6.133 1.00 0.73 H new ATOM 0 HG3 ARG A 74 -14.860 -3.901 7.004 1.00 0.73 H new ATOM 0 HD2 ARG A 74 -13.165 -2.361 7.818 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -13.756 -1.077 6.781 1.00 1.02 H new ATOM 0 HE ARG A 74 -15.398 -2.205 9.025 1.00 1.49 H new ATOM 0 HH11 ARG A 74 -14.254 0.485 7.036 1.00 2.10 H new ATOM 0 HH12 ARG A 74 -15.038 1.713 8.036 1.00 2.10 H new ATOM 0 HH21 ARG A 74 -16.370 -0.600 10.331 1.00 2.50 H new ATOM 0 HH22 ARG A 74 -16.225 1.103 9.885 1.00 2.50 H new ATOM 1057 N TYR A 75 -11.559 -1.388 3.272 1.00 0.19 N ATOM 1058 CA TYR A 75 -10.461 -1.513 2.341 1.00 0.14 C ATOM 1059 C TYR A 75 -9.161 -1.547 3.113 1.00 0.13 C ATOM 1060 O TYR A 75 -8.815 -0.581 3.783 1.00 0.15 O ATOM 1061 CB TYR A 75 -10.427 -0.333 1.378 1.00 0.12 C ATOM 1062 CG TYR A 75 -11.505 -0.361 0.340 1.00 0.13 C ATOM 1063 CD1 TYR A 75 -11.704 -1.496 -0.408 1.00 0.19 C ATOM 1064 CD2 TYR A 75 -12.310 0.742 0.097 1.00 0.18 C ATOM 1065 CE1 TYR A 75 -12.674 -1.553 -1.372 1.00 0.25 C ATOM 1066 CE2 TYR A 75 -13.292 0.700 -0.872 1.00 0.24 C ATOM 1067 CZ TYR A 75 -13.469 -0.451 -1.607 1.00 0.27 C ATOM 1068 OH TYR A 75 -14.443 -0.502 -2.576 1.00 0.35 O ATOM 0 H TYR A 75 -11.494 -0.574 3.884 1.00 0.19 H new ATOM 0 HA TYR A 75 -10.595 -2.431 1.769 1.00 0.14 H new ATOM 0 HB2 TYR A 75 -10.512 0.591 1.950 1.00 0.12 H new ATOM 0 HB3 TYR A 75 -9.458 -0.312 0.880 1.00 0.12 H new ATOM 0 HD1 TYR A 75 -11.082 -2.361 -0.232 1.00 0.19 H new ATOM 0 HD2 TYR A 75 -12.167 1.644 0.673 1.00 0.18 H new ATOM 0 HE1 TYR A 75 -12.816 -2.457 -1.946 1.00 0.25 H new ATOM 0 HE2 TYR A 75 -13.916 1.563 -1.052 1.00 0.24 H new ATOM 0 HH TYR A 75 -14.589 0.396 -2.941 1.00 0.35 H new ATOM 1078 N ALA A 76 -8.457 -2.649 3.035 1.00 0.14 N ATOM 1079 CA ALA A 76 -7.199 -2.789 3.737 1.00 0.13 C ATOM 1080 C ALA A 76 -6.098 -3.169 2.778 1.00 0.12 C ATOM 1081 O ALA A 76 -6.353 -3.499 1.627 1.00 0.12 O ATOM 1082 CB ALA A 76 -7.295 -3.802 4.853 1.00 0.16 C ATOM 0 H ALA A 76 -8.732 -3.467 2.491 1.00 0.14 H new ATOM 0 HA ALA A 76 -6.962 -1.823 4.183 1.00 0.13 H new ATOM 0 HB1 ALA A 76 -6.332 -3.880 5.357 1.00 0.16 H new ATOM 0 HB2 ALA A 76 -8.054 -3.485 5.568 1.00 0.16 H new ATOM 0 HB3 ALA A 76 -7.568 -4.773 4.440 1.00 0.16 H new ATOM 1088 N ALA A 77 -4.877 -3.103 3.250 1.00 0.13 N ATOM 1089 CA ALA A 77 -3.732 -3.384 2.422 1.00 0.13 C ATOM 1090 C ALA A 77 -2.671 -4.077 3.237 1.00 0.14 C ATOM 1091 O ALA A 77 -2.701 -4.028 4.454 1.00 0.16 O ATOM 1092 CB ALA A 77 -3.199 -2.099 1.823 1.00 0.12 C ATOM 0 H ALA A 77 -4.651 -2.854 4.213 1.00 0.13 H new ATOM 0 HA ALA A 77 -4.028 -4.044 1.607 1.00 0.13 H new ATOM 0 HB1 ALA A 77 -2.333 -2.320 1.198 1.00 0.12 H new ATOM 0 HB2 ALA A 77 -3.974 -1.631 1.216 1.00 0.12 H new ATOM 0 HB3 ALA A 77 -2.905 -1.419 2.623 1.00 0.12 H new ATOM 1098 N ARG A 78 -1.760 -4.736 2.567 1.00 0.14 N ATOM 1099 CA ARG A 78 -0.663 -5.416 3.219 1.00 0.16 C ATOM 1100 C ARG A 78 0.521 -5.479 2.266 1.00 0.14 C ATOM 1101 O ARG A 78 0.405 -5.970 1.146 1.00 0.16 O ATOM 1102 CB ARG A 78 -1.102 -6.804 3.690 1.00 0.23 C ATOM 1103 CG ARG A 78 -1.274 -7.817 2.586 1.00 0.56 C ATOM 1104 CD ARG A 78 -0.027 -8.666 2.472 1.00 1.56 C ATOM 1105 NE ARG A 78 -0.284 -9.971 1.864 1.00 2.06 N ATOM 1106 CZ ARG A 78 0.503 -11.036 2.017 1.00 2.77 C ATOM 1107 NH1 ARG A 78 1.598 -10.962 2.766 1.00 3.25 N ATOM 1108 NH2 ARG A 78 0.194 -12.178 1.423 1.00 3.35 N ATOM 0 H ARG A 78 -1.756 -4.818 1.550 1.00 0.14 H new ATOM 0 HA ARG A 78 -0.355 -4.864 4.107 1.00 0.16 H new ATOM 0 HB2 ARG A 78 -0.366 -7.182 4.400 1.00 0.23 H new ATOM 0 HB3 ARG A 78 -2.045 -6.709 4.228 1.00 0.23 H new ATOM 0 HG2 ARG A 78 -2.138 -8.449 2.791 1.00 0.56 H new ATOM 0 HG3 ARG A 78 -1.467 -7.310 1.641 1.00 0.56 H new ATOM 0 HD2 ARG A 78 0.716 -8.134 1.879 1.00 1.56 H new ATOM 0 HD3 ARG A 78 0.401 -8.810 3.464 1.00 1.56 H new ATOM 0 HE ARG A 78 -1.118 -10.073 1.286 1.00 2.06 H new ATOM 0 HH11 ARG A 78 1.841 -10.086 3.229 1.00 3.25 H new ATOM 0 HH12 ARG A 78 2.195 -11.781 2.878 1.00 3.25 H new ATOM 0 HH21 ARG A 78 -0.646 -12.243 0.848 1.00 3.35 H new ATOM 0 HH22 ARG A 78 0.796 -12.993 1.540 1.00 3.35 H new ATOM 1122 N LEU A 79 1.645 -4.942 2.683 1.00 0.17 N ATOM 1123 CA LEU A 79 2.814 -4.926 1.827 1.00 0.15 C ATOM 1124 C LEU A 79 3.977 -5.607 2.516 1.00 0.15 C ATOM 1125 O LEU A 79 4.321 -5.271 3.642 1.00 0.22 O ATOM 1126 CB LEU A 79 3.197 -3.491 1.450 1.00 0.16 C ATOM 1127 CG LEU A 79 3.904 -3.331 0.091 1.00 0.15 C ATOM 1128 CD1 LEU A 79 4.132 -1.863 -0.223 1.00 0.18 C ATOM 1129 CD2 LEU A 79 5.217 -4.105 0.054 1.00 0.16 C ATOM 0 H LEU A 79 1.777 -4.514 3.600 1.00 0.17 H new ATOM 0 HA LEU A 79 2.572 -5.469 0.913 1.00 0.15 H new ATOM 0 HB2 LEU A 79 2.293 -2.881 1.444 1.00 0.16 H new ATOM 0 HB3 LEU A 79 3.847 -3.090 2.228 1.00 0.16 H new ATOM 0 HG LEU A 79 3.253 -3.750 -0.677 1.00 0.15 H new ATOM 0 HD11 LEU A 79 4.633 -1.771 -1.187 1.00 0.18 H new ATOM 0 HD12 LEU A 79 3.173 -1.346 -0.261 1.00 0.18 H new ATOM 0 HD13 LEU A 79 4.754 -1.417 0.553 1.00 0.18 H new ATOM 0 HD21 LEU A 79 5.691 -3.971 -0.918 1.00 0.16 H new ATOM 0 HD22 LEU A 79 5.880 -3.734 0.835 1.00 0.16 H new ATOM 0 HD23 LEU A 79 5.020 -5.164 0.219 1.00 0.16 H new ATOM 1141 N ASP A 80 4.563 -6.568 1.830 1.00 0.12 N ATOM 1142 CA ASP A 80 5.766 -7.224 2.300 1.00 0.12 C ATOM 1143 C ASP A 80 6.961 -6.712 1.516 1.00 0.11 C ATOM 1144 O ASP A 80 7.031 -6.875 0.307 1.00 0.15 O ATOM 1145 CB ASP A 80 5.641 -8.740 2.151 1.00 0.15 C ATOM 1146 CG ASP A 80 6.937 -9.478 2.459 1.00 1.16 C ATOM 1147 OD1 ASP A 80 7.191 -9.788 3.645 1.00 1.06 O ATOM 1148 OD2 ASP A 80 7.717 -9.729 1.519 1.00 2.22 O ATOM 0 H ASP A 80 4.220 -6.915 0.934 1.00 0.12 H new ATOM 0 HA ASP A 80 5.907 -6.997 3.357 1.00 0.12 H new ATOM 0 HB2 ASP A 80 4.857 -9.101 2.816 1.00 0.15 H new ATOM 0 HB3 ASP A 80 5.329 -8.975 1.133 1.00 0.15 H new ATOM 1153 N VAL A 81 7.879 -6.050 2.179 1.00 0.09 N ATOM 1154 CA VAL A 81 9.071 -5.600 1.499 1.00 0.10 C ATOM 1155 C VAL A 81 10.223 -6.518 1.850 1.00 0.12 C ATOM 1156 O VAL A 81 10.745 -6.480 2.958 1.00 0.13 O ATOM 1157 CB VAL A 81 9.441 -4.152 1.852 1.00 0.09 C ATOM 1158 CG1 VAL A 81 10.551 -3.664 0.946 1.00 0.09 C ATOM 1159 CG2 VAL A 81 8.230 -3.238 1.769 1.00 0.09 C ATOM 0 H VAL A 81 7.827 -5.814 3.170 1.00 0.09 H new ATOM 0 HA VAL A 81 8.869 -5.629 0.428 1.00 0.10 H new ATOM 0 HB VAL A 81 9.796 -4.130 2.882 1.00 0.09 H new ATOM 0 HG11 VAL A 81 10.806 -2.636 1.204 1.00 0.09 H new ATOM 0 HG12 VAL A 81 11.429 -4.298 1.072 1.00 0.09 H new ATOM 0 HG13 VAL A 81 10.219 -3.706 -0.091 1.00 0.09 H new ATOM 0 HG21 VAL A 81 8.524 -2.220 2.024 1.00 0.09 H new ATOM 0 HG22 VAL A 81 7.829 -3.256 0.756 1.00 0.09 H new ATOM 0 HG23 VAL A 81 7.467 -3.581 2.467 1.00 0.09 H new ATOM 1169 N SER A 82 10.602 -7.340 0.898 1.00 0.14 N ATOM 1170 CA SER A 82 11.682 -8.282 1.075 1.00 0.17 C ATOM 1171 C SER A 82 12.736 -8.068 -0.004 1.00 0.20 C ATOM 1172 O SER A 82 12.551 -8.450 -1.161 1.00 0.25 O ATOM 1173 CB SER A 82 11.130 -9.705 1.033 1.00 0.21 C ATOM 1174 OG SER A 82 10.035 -9.801 0.134 1.00 0.82 O ATOM 0 H SER A 82 10.168 -7.374 -0.024 1.00 0.14 H new ATOM 0 HA SER A 82 12.154 -8.125 2.045 1.00 0.17 H new ATOM 0 HB2 SER A 82 11.917 -10.395 0.728 1.00 0.21 H new ATOM 0 HB3 SER A 82 10.812 -10.005 2.032 1.00 0.21 H new ATOM 0 HG SER A 82 9.201 -9.889 0.642 1.00 0.82 H new ATOM 1180 N PHE A 83 13.832 -7.442 0.381 1.00 0.21 N ATOM 1181 CA PHE A 83 14.883 -7.086 -0.557 1.00 0.24 C ATOM 1182 C PHE A 83 16.247 -7.219 0.107 1.00 0.24 C ATOM 1183 O PHE A 83 16.728 -6.293 0.766 1.00 0.23 O ATOM 1184 CB PHE A 83 14.666 -5.657 -1.072 1.00 0.26 C ATOM 1185 CG PHE A 83 15.770 -5.160 -1.961 1.00 0.27 C ATOM 1186 CD1 PHE A 83 16.132 -5.857 -3.100 1.00 0.31 C ATOM 1187 CD2 PHE A 83 16.453 -4.002 -1.644 1.00 0.29 C ATOM 1188 CE1 PHE A 83 17.156 -5.405 -3.910 1.00 0.34 C ATOM 1189 CE2 PHE A 83 17.480 -3.544 -2.445 1.00 0.32 C ATOM 1190 CZ PHE A 83 17.832 -4.247 -3.581 1.00 0.34 C ATOM 0 H PHE A 83 14.020 -7.167 1.345 1.00 0.21 H new ATOM 0 HA PHE A 83 14.848 -7.768 -1.406 1.00 0.24 H new ATOM 0 HB2 PHE A 83 13.725 -5.617 -1.620 1.00 0.26 H new ATOM 0 HB3 PHE A 83 14.567 -4.984 -0.220 1.00 0.26 H new ATOM 0 HD1 PHE A 83 15.608 -6.765 -3.359 1.00 0.31 H new ATOM 0 HD2 PHE A 83 16.180 -3.448 -0.758 1.00 0.29 H new ATOM 0 HE1 PHE A 83 17.427 -5.956 -4.798 1.00 0.34 H new ATOM 0 HE2 PHE A 83 18.007 -2.638 -2.184 1.00 0.32 H new ATOM 0 HZ PHE A 83 18.634 -3.891 -4.210 1.00 0.34 H new ATOM 1200 N GLY A 84 16.851 -8.386 -0.052 1.00 0.30 N ATOM 1201 CA GLY A 84 18.158 -8.634 0.516 1.00 0.34 C ATOM 1202 C GLY A 84 18.141 -8.603 2.029 1.00 0.34 C ATOM 1203 O GLY A 84 17.637 -9.524 2.670 1.00 0.41 O ATOM 0 H GLY A 84 16.455 -9.171 -0.569 1.00 0.30 H new ATOM 0 HA2 GLY A 84 18.520 -9.605 0.179 1.00 0.34 H new ATOM 0 HA3 GLY A 84 18.860 -7.886 0.147 1.00 0.34 H new ATOM 1207 N SER A 85 18.660 -7.524 2.594 1.00 0.32 N ATOM 1208 CA SER A 85 18.782 -7.398 4.035 1.00 0.36 C ATOM 1209 C SER A 85 17.482 -6.925 4.680 1.00 0.31 C ATOM 1210 O SER A 85 17.320 -7.010 5.898 1.00 0.35 O ATOM 1211 CB SER A 85 19.909 -6.440 4.367 1.00 0.43 C ATOM 1212 OG SER A 85 19.737 -5.191 3.715 1.00 0.42 O ATOM 0 H SER A 85 19.005 -6.719 2.071 1.00 0.32 H new ATOM 0 HA SER A 85 19.004 -8.385 4.440 1.00 0.36 H new ATOM 0 HB2 SER A 85 19.952 -6.286 5.445 1.00 0.43 H new ATOM 0 HB3 SER A 85 20.861 -6.879 4.070 1.00 0.43 H new ATOM 0 HG SER A 85 20.478 -4.594 3.950 1.00 0.42 H new ATOM 1218 N VAL A 86 16.552 -6.436 3.872 1.00 0.24 N ATOM 1219 CA VAL A 86 15.293 -5.943 4.404 1.00 0.20 C ATOM 1220 C VAL A 86 14.165 -6.944 4.178 1.00 0.17 C ATOM 1221 O VAL A 86 14.067 -7.563 3.117 1.00 0.18 O ATOM 1222 CB VAL A 86 14.892 -4.575 3.794 1.00 0.18 C ATOM 1223 CG1 VAL A 86 14.514 -4.705 2.326 1.00 0.17 C ATOM 1224 CG2 VAL A 86 13.752 -3.960 4.588 1.00 0.19 C ATOM 0 H VAL A 86 16.644 -6.371 2.858 1.00 0.24 H new ATOM 0 HA VAL A 86 15.448 -5.809 5.475 1.00 0.20 H new ATOM 0 HB VAL A 86 15.758 -3.916 3.851 1.00 0.18 H new ATOM 0 HG11 VAL A 86 14.239 -3.726 1.933 1.00 0.17 H new ATOM 0 HG12 VAL A 86 15.363 -5.096 1.765 1.00 0.17 H new ATOM 0 HG13 VAL A 86 13.669 -5.386 2.227 1.00 0.17 H new ATOM 0 HG21 VAL A 86 13.480 -3.000 4.150 1.00 0.19 H new ATOM 0 HG22 VAL A 86 12.890 -4.627 4.564 1.00 0.19 H new ATOM 0 HG23 VAL A 86 14.067 -3.811 5.621 1.00 0.19 H new ATOM 1234 N THR A 87 13.343 -7.132 5.198 1.00 0.17 N ATOM 1235 CA THR A 87 12.096 -7.867 5.061 1.00 0.17 C ATOM 1236 C THR A 87 11.106 -7.373 6.108 1.00 0.15 C ATOM 1237 O THR A 87 11.340 -7.495 7.309 1.00 0.18 O ATOM 1238 CB THR A 87 12.294 -9.387 5.208 1.00 0.21 C ATOM 1239 OG1 THR A 87 13.335 -9.841 4.331 1.00 0.25 O ATOM 1240 CG2 THR A 87 11.005 -10.111 4.871 1.00 0.23 C ATOM 0 H THR A 87 13.520 -6.781 6.139 1.00 0.17 H new ATOM 0 HA THR A 87 11.711 -7.687 4.057 1.00 0.17 H new ATOM 0 HB THR A 87 12.575 -9.601 6.239 1.00 0.21 H new ATOM 0 HG1 THR A 87 13.445 -9.202 3.596 1.00 0.25 H new ATOM 0 HG21 THR A 87 11.153 -11.186 4.977 1.00 0.23 H new ATOM 0 HG22 THR A 87 10.216 -9.784 5.549 1.00 0.23 H new ATOM 0 HG23 THR A 87 10.718 -9.884 3.844 1.00 0.23 H new ATOM 1248 N ILE A 88 9.999 -6.817 5.637 1.00 0.12 N ATOM 1249 CA ILE A 88 9.035 -6.131 6.493 1.00 0.11 C ATOM 1250 C ILE A 88 7.638 -6.256 5.912 1.00 0.10 C ATOM 1251 O ILE A 88 7.480 -6.660 4.766 1.00 0.11 O ATOM 1252 CB ILE A 88 9.357 -4.642 6.626 1.00 0.10 C ATOM 1253 CG1 ILE A 88 9.231 -3.981 5.269 1.00 0.09 C ATOM 1254 CG2 ILE A 88 10.749 -4.433 7.196 1.00 0.14 C ATOM 1255 CD1 ILE A 88 9.540 -2.509 5.287 1.00 0.09 C ATOM 0 H ILE A 88 9.741 -6.827 4.650 1.00 0.12 H new ATOM 0 HA ILE A 88 9.090 -6.601 7.475 1.00 0.11 H new ATOM 0 HB ILE A 88 8.648 -4.187 7.318 1.00 0.10 H new ATOM 0 HG12 ILE A 88 9.903 -4.477 4.569 1.00 0.09 H new ATOM 0 HG13 ILE A 88 8.217 -4.127 4.895 1.00 0.09 H new ATOM 0 HG21 ILE A 88 10.951 -3.365 7.280 1.00 0.14 H new ATOM 0 HG22 ILE A 88 10.811 -4.892 8.182 1.00 0.14 H new ATOM 0 HG23 ILE A 88 11.485 -4.891 6.536 1.00 0.14 H new ATOM 0 HD11 ILE A 88 9.430 -2.102 4.282 1.00 0.09 H new ATOM 0 HD12 ILE A 88 8.851 -2.001 5.962 1.00 0.09 H new ATOM 0 HD13 ILE A 88 10.563 -2.356 5.630 1.00 0.09 H new ATOM 1267 N GLN A 89 6.632 -5.929 6.701 1.00 0.11 N ATOM 1268 CA GLN A 89 5.261 -5.954 6.225 1.00 0.14 C ATOM 1269 C GLN A 89 4.397 -4.938 6.974 1.00 0.14 C ATOM 1270 O GLN A 89 4.573 -4.722 8.174 1.00 0.20 O ATOM 1271 CB GLN A 89 4.685 -7.355 6.366 1.00 0.22 C ATOM 1272 CG GLN A 89 3.175 -7.430 6.200 1.00 0.68 C ATOM 1273 CD GLN A 89 2.649 -8.848 6.268 1.00 1.04 C ATOM 1274 OE1 GLN A 89 3.244 -9.716 6.903 1.00 1.53 O ATOM 1275 NE2 GLN A 89 1.518 -9.087 5.628 1.00 1.88 N ATOM 0 H GLN A 89 6.738 -5.643 7.674 1.00 0.11 H new ATOM 0 HA GLN A 89 5.260 -5.677 5.171 1.00 0.14 H new ATOM 0 HB2 GLN A 89 5.153 -8.004 5.626 1.00 0.22 H new ATOM 0 HB3 GLN A 89 4.951 -7.748 7.347 1.00 0.22 H new ATOM 0 HG2 GLN A 89 2.698 -6.832 6.977 1.00 0.68 H new ATOM 0 HG3 GLN A 89 2.897 -6.989 5.243 1.00 0.68 H new ATOM 0 HE21 GLN A 89 1.056 -8.338 5.112 1.00 1.88 H new ATOM 0 HE22 GLN A 89 1.107 -10.020 5.650 1.00 1.88 H new ATOM 1284 N CYS A 90 3.462 -4.331 6.261 1.00 0.20 N ATOM 1285 CA CYS A 90 2.538 -3.355 6.835 1.00 0.21 C ATOM 1286 C CYS A 90 1.118 -3.655 6.376 1.00 0.23 C ATOM 1287 O CYS A 90 0.927 -4.406 5.421 1.00 0.31 O ATOM 1288 CB CYS A 90 2.948 -1.946 6.415 1.00 0.22 C ATOM 1289 SG CYS A 90 3.755 -1.890 4.789 1.00 0.97 S ATOM 0 H CYS A 90 3.319 -4.499 5.265 1.00 0.20 H new ATOM 0 HA CYS A 90 2.574 -3.420 7.922 1.00 0.21 H new ATOM 0 HB2 CYS A 90 2.065 -1.308 6.397 1.00 0.22 H new ATOM 0 HB3 CYS A 90 3.624 -1.533 7.163 1.00 0.22 H new ATOM 1294 N ASN A 91 0.131 -3.076 7.049 1.00 0.19 N ATOM 1295 CA ASN A 91 -1.272 -3.383 6.763 1.00 0.18 C ATOM 1296 C ASN A 91 -2.156 -2.161 6.981 1.00 0.16 C ATOM 1297 O ASN A 91 -2.091 -1.519 8.030 1.00 0.18 O ATOM 1298 CB ASN A 91 -1.745 -4.538 7.646 1.00 0.20 C ATOM 1299 CG ASN A 91 -3.199 -4.916 7.420 1.00 1.05 C ATOM 1300 OD1 ASN A 91 -3.506 -5.773 6.590 1.00 1.87 O ATOM 1301 ND2 ASN A 91 -4.101 -4.303 8.170 1.00 1.82 N ATOM 0 H ASN A 91 0.271 -2.394 7.794 1.00 0.19 H new ATOM 0 HA ASN A 91 -1.350 -3.676 5.716 1.00 0.18 H new ATOM 0 HB2 ASN A 91 -1.118 -5.409 7.458 1.00 0.20 H new ATOM 0 HB3 ASN A 91 -1.607 -4.265 8.692 1.00 0.20 H new ATOM 0 HD21 ASN A 91 -5.089 -4.535 8.071 1.00 1.82 H new ATOM 0 HD22 ASN A 91 -3.808 -3.598 8.847 1.00 1.82 H new ATOM 1308 N LEU A 92 -2.984 -1.853 5.985 1.00 0.14 N ATOM 1309 CA LEU A 92 -3.822 -0.654 6.019 1.00 0.13 C ATOM 1310 C LEU A 92 -5.002 -0.831 6.963 1.00 0.14 C ATOM 1311 O LEU A 92 -5.632 -1.887 6.990 1.00 0.17 O ATOM 1312 CB LEU A 92 -4.352 -0.274 4.624 1.00 0.12 C ATOM 1313 CG LEU A 92 -5.606 0.615 4.619 1.00 0.11 C ATOM 1314 CD1 LEU A 92 -5.325 2.009 5.183 1.00 0.14 C ATOM 1315 CD2 LEU A 92 -6.161 0.739 3.222 1.00 0.12 C ATOM 0 H LEU A 92 -3.093 -2.418 5.143 1.00 0.14 H new ATOM 0 HA LEU A 92 -3.182 0.152 6.380 1.00 0.13 H new ATOM 0 HB2 LEU A 92 -3.560 0.240 4.080 1.00 0.12 H new ATOM 0 HB3 LEU A 92 -4.573 -1.190 4.075 1.00 0.12 H new ATOM 0 HG LEU A 92 -6.340 0.132 5.264 1.00 0.11 H new ATOM 0 HD11 LEU A 92 -6.239 2.602 5.160 1.00 0.14 H new ATOM 0 HD12 LEU A 92 -4.975 1.922 6.212 1.00 0.14 H new ATOM 0 HD13 LEU A 92 -4.560 2.498 4.580 1.00 0.14 H new ATOM 0 HD21 LEU A 92 -7.048 1.372 3.238 1.00 0.12 H new ATOM 0 HD22 LEU A 92 -5.409 1.184 2.570 1.00 0.12 H new ATOM 0 HD23 LEU A 92 -6.427 -0.249 2.847 1.00 0.12 H new ATOM 1327 N ASP A 93 -5.284 0.204 7.737 1.00 0.17 N ATOM 1328 CA ASP A 93 -6.501 0.259 8.531 1.00 0.19 C ATOM 1329 C ASP A 93 -7.629 0.837 7.691 1.00 0.17 C ATOM 1330 O ASP A 93 -7.609 2.017 7.354 1.00 0.18 O ATOM 1331 CB ASP A 93 -6.292 1.126 9.763 1.00 0.26 C ATOM 1332 CG ASP A 93 -7.407 0.961 10.771 1.00 1.08 C ATOM 1333 OD1 ASP A 93 -7.444 -0.080 11.460 1.00 1.02 O ATOM 1334 OD2 ASP A 93 -8.253 1.867 10.882 1.00 2.13 O ATOM 0 H ASP A 93 -4.683 1.022 7.833 1.00 0.17 H new ATOM 0 HA ASP A 93 -6.758 -0.751 8.850 1.00 0.19 H new ATOM 0 HB2 ASP A 93 -5.341 0.869 10.230 1.00 0.26 H new ATOM 0 HB3 ASP A 93 -6.227 2.172 9.463 1.00 0.26 H new ATOM 1339 N PRO A 94 -8.626 0.021 7.333 1.00 0.18 N ATOM 1340 CA PRO A 94 -9.721 0.454 6.455 1.00 0.19 C ATOM 1341 C PRO A 94 -10.530 1.608 7.043 1.00 0.23 C ATOM 1342 O PRO A 94 -11.255 2.303 6.334 1.00 0.27 O ATOM 1343 CB PRO A 94 -10.597 -0.795 6.320 1.00 0.24 C ATOM 1344 CG PRO A 94 -10.211 -1.674 7.457 1.00 0.40 C ATOM 1345 CD PRO A 94 -8.767 -1.386 7.739 1.00 0.21 C ATOM 0 HA PRO A 94 -9.343 0.831 5.505 1.00 0.19 H new ATOM 0 HB2 PRO A 94 -11.656 -0.539 6.363 1.00 0.24 H new ATOM 0 HB3 PRO A 94 -10.428 -1.292 5.365 1.00 0.24 H new ATOM 0 HG2 PRO A 94 -10.827 -1.470 8.333 1.00 0.40 H new ATOM 0 HG3 PRO A 94 -10.356 -2.724 7.203 1.00 0.40 H new ATOM 0 HD2 PRO A 94 -8.525 -1.529 8.792 1.00 0.21 H new ATOM 0 HD3 PRO A 94 -8.106 -2.039 7.169 1.00 0.21 H new ATOM 1353 N GLU A 95 -10.395 1.806 8.343 1.00 0.26 N ATOM 1354 CA GLU A 95 -11.047 2.904 9.032 1.00 0.34 C ATOM 1355 C GLU A 95 -10.292 4.216 8.830 1.00 0.32 C ATOM 1356 O GLU A 95 -10.568 5.198 9.511 1.00 0.46 O ATOM 1357 CB GLU A 95 -11.204 2.597 10.515 1.00 0.44 C ATOM 1358 CG GLU A 95 -12.096 1.419 10.782 1.00 0.69 C ATOM 1359 CD GLU A 95 -12.294 1.159 12.260 1.00 1.02 C ATOM 1360 OE1 GLU A 95 -13.207 1.766 12.859 1.00 1.21 O ATOM 1361 OE2 GLU A 95 -11.530 0.359 12.836 1.00 1.42 O ATOM 0 H GLU A 95 -9.831 1.210 8.949 1.00 0.26 H new ATOM 0 HA GLU A 95 -12.040 3.021 8.599 1.00 0.34 H new ATOM 0 HB2 GLU A 95 -10.221 2.406 10.946 1.00 0.44 H new ATOM 0 HB3 GLU A 95 -11.609 3.474 11.020 1.00 0.44 H new ATOM 0 HG2 GLU A 95 -13.066 1.589 10.314 1.00 0.69 H new ATOM 0 HG3 GLU A 95 -11.668 0.532 10.315 1.00 0.69 H new ATOM 1368 N THR A 96 -9.280 4.208 7.966 1.00 0.23 N ATOM 1369 CA THR A 96 -8.554 5.425 7.631 1.00 0.24 C ATOM 1370 C THR A 96 -8.915 5.935 6.227 1.00 0.23 C ATOM 1371 O THR A 96 -8.672 7.093 5.890 1.00 0.30 O ATOM 1372 CB THR A 96 -7.044 5.190 7.711 1.00 0.25 C ATOM 1373 OG1 THR A 96 -6.616 4.313 6.668 1.00 0.23 O ATOM 1374 CG2 THR A 96 -6.666 4.603 9.061 1.00 0.31 C ATOM 0 H THR A 96 -8.946 3.372 7.487 1.00 0.23 H new ATOM 0 HA THR A 96 -8.846 6.183 8.358 1.00 0.24 H new ATOM 0 HB THR A 96 -6.546 6.152 7.591 1.00 0.25 H new ATOM 0 HG1 THR A 96 -7.026 3.432 6.793 1.00 0.23 H new ATOM 0 HG21 THR A 96 -5.589 4.443 9.099 1.00 0.31 H new ATOM 0 HG22 THR A 96 -6.959 5.293 9.853 1.00 0.31 H new ATOM 0 HG23 THR A 96 -7.179 3.652 9.201 1.00 0.31 H new ATOM 1382 N VAL A 97 -9.511 5.045 5.435 1.00 0.20 N ATOM 1383 CA VAL A 97 -9.909 5.303 4.031 1.00 0.23 C ATOM 1384 C VAL A 97 -10.669 6.616 3.814 1.00 0.29 C ATOM 1385 O VAL A 97 -10.576 7.194 2.740 1.00 0.64 O ATOM 1386 CB VAL A 97 -10.775 4.135 3.504 1.00 0.28 C ATOM 1387 CG1 VAL A 97 -11.368 4.442 2.131 1.00 0.59 C ATOM 1388 CG2 VAL A 97 -9.955 2.856 3.447 1.00 0.51 C ATOM 0 H VAL A 97 -9.740 4.102 5.748 1.00 0.20 H new ATOM 0 HA VAL A 97 -8.973 5.389 3.478 1.00 0.23 H new ATOM 0 HB VAL A 97 -11.604 4.001 4.199 1.00 0.28 H new ATOM 0 HG11 VAL A 97 -11.969 3.596 1.797 1.00 0.59 H new ATOM 0 HG12 VAL A 97 -11.996 5.330 2.196 1.00 0.59 H new ATOM 0 HG13 VAL A 97 -10.563 4.619 1.418 1.00 0.59 H new ATOM 0 HG21 VAL A 97 -10.576 2.042 3.074 1.00 0.51 H new ATOM 0 HG22 VAL A 97 -9.105 2.998 2.780 1.00 0.51 H new ATOM 0 HG23 VAL A 97 -9.595 2.610 4.446 1.00 0.51 H new ATOM 1398 N LYS A 98 -11.393 7.095 4.818 1.00 0.29 N ATOM 1399 CA LYS A 98 -12.301 8.234 4.631 1.00 0.38 C ATOM 1400 C LYS A 98 -11.555 9.488 4.210 1.00 0.40 C ATOM 1401 O LYS A 98 -11.117 10.271 5.058 1.00 0.47 O ATOM 1402 CB LYS A 98 -13.123 8.553 5.888 1.00 0.55 C ATOM 1403 CG LYS A 98 -13.888 7.381 6.504 1.00 0.71 C ATOM 1404 CD LYS A 98 -12.981 6.409 7.245 1.00 0.53 C ATOM 1405 CE LYS A 98 -11.867 7.136 7.970 1.00 1.34 C ATOM 1406 NZ LYS A 98 -12.371 8.048 9.032 1.00 2.40 N ATOM 0 H LYS A 98 -11.374 6.720 5.766 1.00 0.29 H new ATOM 0 HA LYS A 98 -12.982 7.928 3.837 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -12.451 8.960 6.644 1.00 0.55 H new ATOM 0 HB3 LYS A 98 -13.838 9.338 5.641 1.00 0.55 H new ATOM 0 HG2 LYS A 98 -14.640 7.766 7.193 1.00 0.71 H new ATOM 0 HG3 LYS A 98 -14.420 6.846 5.717 1.00 0.71 H new ATOM 0 HD2 LYS A 98 -13.569 5.834 7.961 1.00 0.53 H new ATOM 0 HD3 LYS A 98 -12.554 5.697 6.539 1.00 0.53 H new ATOM 0 HE2 LYS A 98 -11.192 6.405 8.415 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -11.285 7.711 7.250 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -12.017 9.011 8.860 1.00 2.40 H new ATOM 0 HZ2 LYS A 98 -13.411 8.054 9.020 1.00 2.40 H new ATOM 0 HZ3 LYS A 98 -12.038 7.718 9.960 1.00 2.40 H new ATOM 1420 N LEU A 99 -11.417 9.651 2.894 1.00 0.47 N ATOM 1421 CA LEU A 99 -10.915 10.873 2.281 1.00 0.58 C ATOM 1422 C LEU A 99 -9.421 11.071 2.518 1.00 0.73 C ATOM 1423 O LEU A 99 -8.620 11.024 1.580 1.00 1.33 O ATOM 1424 CB LEU A 99 -11.705 12.080 2.784 1.00 0.53 C ATOM 1425 CG LEU A 99 -13.135 12.219 2.244 1.00 0.62 C ATOM 1426 CD1 LEU A 99 -13.173 12.016 0.738 1.00 0.80 C ATOM 1427 CD2 LEU A 99 -14.073 11.244 2.935 1.00 0.76 C ATOM 0 H LEU A 99 -11.655 8.926 2.218 1.00 0.47 H new ATOM 0 HA LEU A 99 -11.055 10.777 1.204 1.00 0.58 H new ATOM 0 HB2 LEU A 99 -11.752 12.031 3.872 1.00 0.53 H new ATOM 0 HB3 LEU A 99 -11.152 12.984 2.529 1.00 0.53 H new ATOM 0 HG LEU A 99 -13.474 13.232 2.459 1.00 0.62 H new ATOM 0 HD11 LEU A 99 -14.198 12.120 0.383 1.00 0.80 H new ATOM 0 HD12 LEU A 99 -12.544 12.763 0.254 1.00 0.80 H new ATOM 0 HD13 LEU A 99 -12.804 11.019 0.496 1.00 0.80 H new ATOM 0 HD21 LEU A 99 -15.080 11.362 2.535 1.00 0.76 H new ATOM 0 HD22 LEU A 99 -13.731 10.224 2.760 1.00 0.76 H new ATOM 0 HD23 LEU A 99 -14.082 11.445 4.006 1.00 0.76 H new ATOM 1439 N GLU A 100 -9.049 11.283 3.766 1.00 1.05 N ATOM 1440 CA GLU A 100 -7.670 11.562 4.121 1.00 1.25 C ATOM 1441 C GLU A 100 -7.040 10.368 4.818 1.00 2.09 C ATOM 1442 O GLU A 100 -7.603 9.817 5.767 1.00 2.87 O ATOM 1443 CB GLU A 100 -7.597 12.790 5.021 1.00 2.15 C ATOM 1444 CG GLU A 100 -8.145 14.046 4.370 1.00 2.70 C ATOM 1445 CD GLU A 100 -8.088 15.244 5.288 1.00 3.59 C ATOM 1446 OE1 GLU A 100 -7.057 15.952 5.286 1.00 4.13 O ATOM 1447 OE2 GLU A 100 -9.074 15.486 6.013 1.00 4.09 O ATOM 0 H GLU A 100 -9.690 11.267 4.559 1.00 1.05 H new ATOM 0 HA GLU A 100 -7.114 11.759 3.204 1.00 1.25 H new ATOM 0 HB2 GLU A 100 -8.152 12.593 5.938 1.00 2.15 H new ATOM 0 HB3 GLU A 100 -6.559 12.961 5.307 1.00 2.15 H new ATOM 0 HG2 GLU A 100 -7.578 14.259 3.464 1.00 2.70 H new ATOM 0 HG3 GLU A 100 -9.178 13.873 4.066 1.00 2.70 H new ATOM 1454 N HIS A 101 -5.868 9.979 4.348 1.00 2.68 N ATOM 1455 CA HIS A 101 -5.157 8.846 4.910 1.00 3.89 C ATOM 1456 C HIS A 101 -4.032 9.337 5.812 1.00 4.59 C ATOM 1457 O HIS A 101 -3.988 8.930 6.989 1.00 5.06 O ATOM 1458 CB HIS A 101 -4.615 7.923 3.803 1.00 4.61 C ATOM 1459 CG HIS A 101 -3.600 8.558 2.894 1.00 5.26 C ATOM 1460 ND1 HIS A 101 -2.243 8.466 3.104 1.00 5.92 N ATOM 1461 CD2 HIS A 101 -3.752 9.287 1.763 1.00 5.78 C ATOM 1462 CE1 HIS A 101 -1.606 9.108 2.147 1.00 6.69 C ATOM 1463 NE2 HIS A 101 -2.497 9.614 1.319 1.00 6.64 N ATOM 0 H HIS A 101 -5.386 10.435 3.573 1.00 2.68 H new ATOM 0 HA HIS A 101 -5.855 8.260 5.508 1.00 3.89 H new ATOM 0 HB2 HIS A 101 -4.167 7.045 4.268 1.00 4.61 H new ATOM 0 HB3 HIS A 101 -5.452 7.571 3.200 1.00 4.61 H new ATOM 0 HD2 HIS A 101 -4.688 9.560 1.298 1.00 5.78 H new ATOM 0 HE1 HIS A 101 -0.534 9.204 2.056 1.00 6.69 H new ATOM 0 HE2 HIS A 101 -2.287 10.160 0.484 1.00 6.64 H new TER 1472 HIS A 101