USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 507 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 35 CYS SG : rot -174:sc= -17.7! USER MOD Set 1.2: A 59 CYS SG : rot 149:sc= -25.7! USER MOD Set 2.1: A 43 THR OG1 : rot 140:sc= -1.05 USER MOD Set 2.2: A 71 ASN : amide:sc= -1.41 K(o=-2.5,f=-3.5) USER MOD Single : A 21 MET CE :methyl -167:sc= 0 (180deg=-0.175) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 91:sc= 1.22 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0307) USER MOD Single : A 34 GLN : amide:sc= -0.802 X(o=-0.8,f=-0.36) USER MOD Single : A 37 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.57) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.159 K(o=-0.16,f=-1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -51:sc= 0.0325 USER MOD Single : A 69 LYS NZ :NH3+ -129:sc= -0.697 (180deg=-3.08!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 150:sc= -3.39! USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 3.106 10.500 -8.590 1.00 44.21 N ATOM 2 CA GLY A 19 1.800 10.990 -8.191 1.00 51.32 C ATOM 3 C GLY A 19 0.814 9.868 -7.933 1.00 51.41 C ATOM 4 O GLY A 19 0.474 9.562 -6.790 1.00 5.11 O ATOM 0 HA2 GLY A 19 1.902 11.594 -7.290 1.00 51.32 H new ATOM 0 HA3 GLY A 19 1.407 11.643 -8.970 1.00 51.32 H new ATOM 8 N PRO A 20 0.335 9.235 -9.015 1.00 5.35 N ATOM 9 CA PRO A 20 -0.625 8.132 -8.925 1.00 75.13 C ATOM 10 C PRO A 20 -0.005 6.868 -8.339 1.00 44.43 C ATOM 11 O PRO A 20 0.931 6.305 -8.906 1.00 42.22 O ATOM 12 CB PRO A 20 -1.036 7.900 -10.382 1.00 3.13 C ATOM 13 CG PRO A 20 0.117 8.397 -11.184 1.00 3.13 C ATOM 14 CD PRO A 20 0.696 9.548 -10.408 1.00 22.44 C ATOM 0 HA PRO A 20 -1.459 8.371 -8.265 1.00 75.13 H new ATOM 0 HB2 PRO A 20 -1.228 6.845 -10.576 1.00 3.13 H new ATOM 0 HB3 PRO A 20 -1.951 8.440 -10.626 1.00 3.13 H new ATOM 0 HG2 PRO A 20 0.859 7.612 -11.329 1.00 3.13 H new ATOM 0 HG3 PRO A 20 -0.206 8.717 -12.175 1.00 3.13 H new ATOM 0 HD2 PRO A 20 1.776 9.617 -10.538 1.00 22.44 H new ATOM 0 HD3 PRO A 20 0.275 10.501 -10.728 1.00 22.44 H new ATOM 22 N MET A 21 -0.532 6.428 -7.202 1.00 1.45 N ATOM 23 CA MET A 21 -0.030 5.230 -6.540 1.00 64.31 C ATOM 24 C MET A 21 -0.935 4.034 -6.820 1.00 41.40 C ATOM 25 O MET A 21 -0.596 2.898 -6.491 1.00 51.14 O ATOM 26 CB MET A 21 0.078 5.461 -5.032 1.00 32.35 C ATOM 27 CG MET A 21 1.158 4.626 -4.364 1.00 64.52 C ATOM 28 SD MET A 21 1.403 5.062 -2.632 1.00 44.31 S ATOM 29 CE MET A 21 2.276 6.618 -2.795 1.00 54.14 C ATOM 0 H MET A 21 -1.307 6.883 -6.719 1.00 1.45 H new ATOM 0 HA MET A 21 0.961 5.014 -6.938 1.00 64.31 H new ATOM 0 HB2 MET A 21 0.281 6.516 -4.848 1.00 32.35 H new ATOM 0 HB3 MET A 21 -0.882 5.235 -4.569 1.00 32.35 H new ATOM 0 HG2 MET A 21 0.892 3.571 -4.435 1.00 64.52 H new ATOM 0 HG3 MET A 21 2.097 4.755 -4.903 1.00 64.52 H new ATOM 0 HE1 MET A 21 2.700 6.900 -1.831 1.00 54.14 H new ATOM 0 HE2 MET A 21 3.077 6.511 -3.526 1.00 54.14 H new ATOM 0 HE3 MET A 21 1.583 7.391 -3.127 1.00 54.14 H new ATOM 39 N GLU A 22 -2.087 4.300 -7.428 1.00 62.44 N ATOM 40 CA GLU A 22 -3.040 3.245 -7.751 1.00 33.43 C ATOM 41 C GLU A 22 -2.512 2.359 -8.875 1.00 61.42 C ATOM 42 O GLU A 22 -1.831 2.832 -9.784 1.00 3.42 O ATOM 43 CB GLU A 22 -4.387 3.849 -8.153 1.00 11.20 C ATOM 44 CG GLU A 22 -5.511 2.830 -8.236 1.00 13.31 C ATOM 45 CD GLU A 22 -6.884 3.473 -8.210 1.00 54.11 C ATOM 46 OE1 GLU A 22 -7.887 2.735 -8.302 1.00 14.23 O ATOM 47 OE2 GLU A 22 -6.955 4.715 -8.098 1.00 13.01 O ATOM 0 H GLU A 22 -2.382 5.236 -7.706 1.00 62.44 H new ATOM 0 HA GLU A 22 -3.177 2.630 -6.861 1.00 33.43 H new ATOM 0 HB2 GLU A 22 -4.659 4.620 -7.432 1.00 11.20 H new ATOM 0 HB3 GLU A 22 -4.281 4.340 -9.120 1.00 11.20 H new ATOM 0 HG2 GLU A 22 -5.403 2.249 -9.152 1.00 13.31 H new ATOM 0 HG3 GLU A 22 -5.425 2.131 -7.404 1.00 13.31 H new ATOM 54 N GLU A 23 -2.831 1.070 -8.805 1.00 53.03 N ATOM 55 CA GLU A 23 -2.388 0.118 -9.816 1.00 65.25 C ATOM 56 C GLU A 23 -3.259 0.206 -11.066 1.00 62.32 C ATOM 57 O GLU A 23 -2.773 0.049 -12.186 1.00 55.52 O ATOM 58 CB GLU A 23 -2.421 -1.306 -9.257 1.00 63.24 C ATOM 59 CG GLU A 23 -1.210 -1.655 -8.408 1.00 13.13 C ATOM 60 CD GLU A 23 -1.318 -1.123 -6.992 1.00 55.50 C ATOM 61 OE1 GLU A 23 -0.842 0.005 -6.745 1.00 3.11 O ATOM 62 OE2 GLU A 23 -1.879 -1.833 -6.132 1.00 10.24 O ATOM 0 H GLU A 23 -3.394 0.662 -8.059 1.00 53.03 H new ATOM 0 HA GLU A 23 -1.363 0.369 -10.090 1.00 65.25 H new ATOM 0 HB2 GLU A 23 -3.323 -1.431 -8.657 1.00 63.24 H new ATOM 0 HB3 GLU A 23 -2.489 -2.011 -10.086 1.00 63.24 H new ATOM 0 HG2 GLU A 23 -1.092 -2.738 -8.377 1.00 13.13 H new ATOM 0 HG3 GLU A 23 -0.313 -1.250 -8.877 1.00 13.13 H new ATOM 69 N ALA A 24 -4.548 0.456 -10.865 1.00 13.31 N ATOM 70 CA ALA A 24 -5.487 0.567 -11.974 1.00 74.42 C ATOM 71 C ALA A 24 -5.277 1.866 -12.745 1.00 20.35 C ATOM 72 O ALA A 24 -5.438 1.908 -13.963 1.00 44.34 O ATOM 73 CB ALA A 24 -6.918 0.478 -11.465 1.00 54.40 C ATOM 0 H ALA A 24 -4.966 0.586 -9.944 1.00 13.31 H new ATOM 0 HA ALA A 24 -5.304 -0.263 -12.657 1.00 74.42 H new ATOM 0 HB1 ALA A 24 -7.609 0.562 -12.304 1.00 54.40 H new ATOM 0 HB2 ALA A 24 -7.068 -0.480 -10.967 1.00 54.40 H new ATOM 0 HB3 ALA A 24 -7.104 1.287 -10.759 1.00 54.40 H new ATOM 79 N ASN A 25 -4.917 2.924 -12.025 1.00 34.54 N ATOM 80 CA ASN A 25 -4.686 4.225 -12.641 1.00 74.12 C ATOM 81 C ASN A 25 -3.459 4.188 -13.547 1.00 33.50 C ATOM 82 O ASN A 25 -3.374 4.927 -14.528 1.00 13.53 O ATOM 83 CB ASN A 25 -4.507 5.298 -11.565 1.00 74.31 C ATOM 84 CG ASN A 25 -4.589 6.703 -12.130 1.00 64.42 C ATOM 85 OD1 ASN A 25 -3.568 7.328 -12.418 1.00 61.22 O ATOM 86 ND2 ASN A 25 -5.807 7.206 -12.291 1.00 61.12 N ATOM 0 H ASN A 25 -4.779 2.905 -11.015 1.00 34.54 H new ATOM 0 HA ASN A 25 -5.557 4.471 -13.248 1.00 74.12 H new ATOM 0 HB2 ASN A 25 -5.272 5.172 -10.799 1.00 74.31 H new ATOM 0 HB3 ASN A 25 -3.542 5.161 -11.077 1.00 74.31 H new ATOM 0 HD21 ASN A 25 -5.925 8.147 -12.667 1.00 61.12 H new ATOM 0 HD22 ASN A 25 -6.625 6.652 -12.039 1.00 61.12 H new ATOM 93 N THR A 26 -2.509 3.320 -13.212 1.00 74.31 N ATOM 94 CA THR A 26 -1.287 3.186 -13.994 1.00 23.52 C ATOM 95 C THR A 26 -1.388 2.026 -14.978 1.00 50.02 C ATOM 96 O THR A 26 -0.678 1.987 -15.984 1.00 11.22 O ATOM 97 CB THR A 26 -0.061 2.968 -13.087 1.00 1.33 C ATOM 98 OG1 THR A 26 1.136 2.969 -13.872 1.00 43.23 O ATOM 99 CG2 THR A 26 -0.175 1.654 -12.328 1.00 41.44 C ATOM 0 H THR A 26 -2.563 2.700 -12.404 1.00 74.31 H new ATOM 0 HA THR A 26 -1.162 4.118 -14.546 1.00 23.52 H new ATOM 0 HB THR A 26 -0.022 3.784 -12.365 1.00 1.33 H new ATOM 0 HG1 THR A 26 1.911 2.831 -13.288 1.00 43.23 H new ATOM 0 HG21 THR A 26 0.702 1.522 -11.695 1.00 41.44 H new ATOM 0 HG22 THR A 26 -1.071 1.668 -11.708 1.00 41.44 H new ATOM 0 HG23 THR A 26 -0.238 0.829 -13.037 1.00 41.44 H new ATOM 107 N THR A 27 -2.276 1.081 -14.684 1.00 1.34 N ATOM 108 CA THR A 27 -2.470 -0.080 -15.543 1.00 1.13 C ATOM 109 C THR A 27 -3.660 0.118 -16.475 1.00 4.42 C ATOM 110 O THR A 27 -4.738 0.545 -16.062 1.00 12.01 O ATOM 111 CB THR A 27 -2.688 -1.361 -14.715 1.00 54.42 C ATOM 112 OG1 THR A 27 -1.567 -1.584 -13.853 1.00 15.35 O ATOM 113 CG2 THR A 27 -2.883 -2.565 -15.624 1.00 33.13 C ATOM 0 H THR A 27 -2.872 1.097 -13.857 1.00 1.34 H new ATOM 0 HA THR A 27 -1.562 -0.190 -16.136 1.00 1.13 H new ATOM 0 HB THR A 27 -3.587 -1.230 -14.113 1.00 54.42 H new ATOM 0 HG1 THR A 27 -1.725 -1.146 -12.991 1.00 15.35 H new ATOM 0 HG21 THR A 27 -3.035 -3.458 -15.018 1.00 33.13 H new ATOM 0 HG22 THR A 27 -3.755 -2.404 -16.259 1.00 33.13 H new ATOM 0 HG23 THR A 27 -1.999 -2.697 -16.248 1.00 33.13 H new ATOM 121 N PRO A 28 -3.462 -0.198 -17.763 1.00 72.42 N ATOM 122 CA PRO A 28 -4.509 -0.064 -18.781 1.00 22.23 C ATOM 123 C PRO A 28 -5.628 -1.084 -18.600 1.00 24.43 C ATOM 124 O PRO A 28 -5.981 -1.805 -19.534 1.00 45.40 O ATOM 125 CB PRO A 28 -3.762 -0.317 -20.093 1.00 12.50 C ATOM 126 CG PRO A 28 -2.593 -1.156 -19.708 1.00 51.12 C ATOM 127 CD PRO A 28 -2.202 -0.713 -18.326 1.00 11.54 C ATOM 0 HA PRO A 28 -5.001 0.908 -18.735 1.00 22.23 H new ATOM 0 HB2 PRO A 28 -4.396 -0.829 -20.817 1.00 12.50 H new ATOM 0 HB3 PRO A 28 -3.444 0.618 -20.554 1.00 12.50 H new ATOM 0 HG2 PRO A 28 -2.852 -2.215 -19.720 1.00 51.12 H new ATOM 0 HG3 PRO A 28 -1.769 -1.022 -20.409 1.00 51.12 H new ATOM 0 HD2 PRO A 28 -1.807 -1.540 -17.736 1.00 11.54 H new ATOM 0 HD3 PRO A 28 -1.430 0.056 -18.354 1.00 11.54 H new ATOM 135 N ILE A 29 -6.182 -1.140 -17.393 1.00 65.22 N ATOM 136 CA ILE A 29 -7.261 -2.071 -17.091 1.00 74.54 C ATOM 137 C ILE A 29 -8.539 -1.329 -16.715 1.00 41.43 C ATOM 138 O ILE A 29 -8.513 -0.394 -15.915 1.00 21.04 O ATOM 139 CB ILE A 29 -6.879 -3.025 -15.944 1.00 5.20 C ATOM 140 CG1 ILE A 29 -6.487 -2.227 -14.698 1.00 73.22 C ATOM 141 CG2 ILE A 29 -5.741 -3.940 -16.373 1.00 10.43 C ATOM 142 CD1 ILE A 29 -7.323 -2.558 -13.482 1.00 21.54 C ATOM 0 H ILE A 29 -5.901 -0.551 -16.609 1.00 65.22 H new ATOM 0 HA ILE A 29 -7.435 -2.655 -17.995 1.00 74.54 H new ATOM 0 HB ILE A 29 -7.744 -3.642 -15.701 1.00 5.20 H new ATOM 0 HG12 ILE A 29 -5.438 -2.416 -14.470 1.00 73.22 H new ATOM 0 HG13 ILE A 29 -6.579 -1.163 -14.914 1.00 73.22 H new ATOM 0 HG21 ILE A 29 -5.482 -4.608 -15.552 1.00 10.43 H new ATOM 0 HG22 ILE A 29 -6.053 -4.529 -17.236 1.00 10.43 H new ATOM 0 HG23 ILE A 29 -4.872 -3.339 -16.639 1.00 10.43 H new ATOM 0 HD11 ILE A 29 -6.990 -1.956 -12.637 1.00 21.54 H new ATOM 0 HD12 ILE A 29 -8.371 -2.342 -13.691 1.00 21.54 H new ATOM 0 HD13 ILE A 29 -7.211 -3.615 -13.241 1.00 21.54 H new ATOM 154 N SER A 30 -9.656 -1.752 -17.297 1.00 74.03 N ATOM 155 CA SER A 30 -10.945 -1.126 -17.025 1.00 2.30 C ATOM 156 C SER A 30 -11.924 -2.134 -16.431 1.00 0.31 C ATOM 157 O SER A 30 -11.940 -3.303 -16.816 1.00 42.24 O ATOM 158 CB SER A 30 -11.526 -0.528 -18.307 1.00 53.34 C ATOM 159 OG SER A 30 -10.816 0.635 -18.696 1.00 3.34 O ATOM 0 H SER A 30 -9.695 -2.526 -17.960 1.00 74.03 H new ATOM 0 HA SER A 30 -10.788 -0.328 -16.299 1.00 2.30 H new ATOM 0 HB2 SER A 30 -11.486 -1.267 -19.107 1.00 53.34 H new ATOM 0 HB3 SER A 30 -12.577 -0.282 -18.153 1.00 53.34 H new ATOM 0 HG SER A 30 -11.206 0.997 -19.519 1.00 3.34 H new ATOM 165 N VAL A 31 -12.740 -1.672 -15.489 1.00 55.31 N ATOM 166 CA VAL A 31 -13.724 -2.531 -14.841 1.00 72.13 C ATOM 167 C VAL A 31 -14.806 -2.965 -15.824 1.00 32.34 C ATOM 168 O VAL A 31 -15.251 -2.181 -16.662 1.00 45.11 O ATOM 169 CB VAL A 31 -14.387 -1.823 -13.645 1.00 2.22 C ATOM 170 CG1 VAL A 31 -13.356 -1.511 -12.571 1.00 22.33 C ATOM 171 CG2 VAL A 31 -15.093 -0.555 -14.101 1.00 32.20 C ATOM 0 H VAL A 31 -12.739 -0.707 -15.158 1.00 55.31 H new ATOM 0 HA VAL A 31 -13.189 -3.410 -14.482 1.00 72.13 H new ATOM 0 HB VAL A 31 -15.132 -2.493 -13.216 1.00 2.22 H new ATOM 0 HG11 VAL A 31 -13.843 -1.011 -11.734 1.00 22.33 H new ATOM 0 HG12 VAL A 31 -12.900 -2.438 -12.224 1.00 22.33 H new ATOM 0 HG13 VAL A 31 -12.586 -0.860 -12.984 1.00 22.33 H new ATOM 0 HG21 VAL A 31 -15.556 -0.068 -13.243 1.00 32.20 H new ATOM 0 HG22 VAL A 31 -14.369 0.121 -14.555 1.00 32.20 H new ATOM 0 HG23 VAL A 31 -15.861 -0.809 -14.832 1.00 32.20 H new ATOM 181 N LYS A 32 -15.227 -4.221 -15.714 1.00 54.32 N ATOM 182 CA LYS A 32 -16.259 -4.761 -16.591 1.00 74.11 C ATOM 183 C LYS A 32 -17.507 -3.884 -16.568 1.00 31.01 C ATOM 184 O LYS A 32 -18.302 -3.943 -15.629 1.00 65.12 O ATOM 185 CB LYS A 32 -16.618 -6.188 -16.171 1.00 75.31 C ATOM 186 CG LYS A 32 -16.970 -6.319 -14.699 1.00 54.23 C ATOM 187 CD LYS A 32 -16.910 -7.765 -14.238 1.00 34.32 C ATOM 188 CE LYS A 32 -16.734 -7.862 -12.730 1.00 61.52 C ATOM 189 NZ LYS A 32 -17.870 -7.238 -11.997 1.00 41.13 N1+ ATOM 0 H LYS A 32 -14.869 -4.884 -15.026 1.00 54.32 H new ATOM 0 HA LYS A 32 -15.866 -4.776 -17.607 1.00 74.11 H new ATOM 0 HB2 LYS A 32 -17.461 -6.533 -16.770 1.00 75.31 H new ATOM 0 HB3 LYS A 32 -15.778 -6.846 -16.395 1.00 75.31 H new ATOM 0 HG2 LYS A 32 -16.282 -5.718 -14.105 1.00 54.23 H new ATOM 0 HG3 LYS A 32 -17.971 -5.922 -14.527 1.00 54.23 H new ATOM 0 HD2 LYS A 32 -17.824 -8.280 -14.533 1.00 34.32 H new ATOM 0 HD3 LYS A 32 -16.084 -8.273 -14.735 1.00 34.32 H new ATOM 0 HE2 LYS A 32 -16.647 -8.909 -12.441 1.00 61.52 H new ATOM 0 HE3 LYS A 32 -15.803 -7.374 -12.441 1.00 61.52 H new ATOM 0 HZ1 LYS A 32 -17.773 -7.428 -10.979 1.00 41.13 H new ATOM 0 HZ2 LYS A 32 -17.866 -6.211 -12.159 1.00 41.13 H new ATOM 0 HZ3 LYS A 32 -18.766 -7.639 -12.340 1.00 41.13 H new ATOM 203 N ASP A 33 -17.674 -3.073 -17.607 1.00 4.35 N ATOM 204 CA ASP A 33 -18.826 -2.185 -17.706 1.00 75.23 C ATOM 205 C ASP A 33 -19.426 -2.229 -19.108 1.00 74.23 C ATOM 206 O ASP A 33 -18.815 -2.755 -20.038 1.00 52.42 O ATOM 207 CB ASP A 33 -18.425 -0.752 -17.355 1.00 14.25 C ATOM 208 CG ASP A 33 -19.554 0.021 -16.701 1.00 51.43 C ATOM 209 OD1 ASP A 33 -20.361 0.628 -17.437 1.00 24.24 O ATOM 210 OD2 ASP A 33 -19.630 0.021 -15.455 1.00 33.25 O ATOM 0 H ASP A 33 -17.026 -3.012 -18.392 1.00 4.35 H new ATOM 0 HA ASP A 33 -19.579 -2.527 -16.996 1.00 75.23 H new ATOM 0 HB2 ASP A 33 -17.566 -0.772 -16.684 1.00 14.25 H new ATOM 0 HB3 ASP A 33 -18.110 -0.234 -18.261 1.00 14.25 H new ATOM 215 N GLN A 34 -20.626 -1.675 -19.251 1.00 20.13 N ATOM 216 CA GLN A 34 -21.309 -1.653 -20.539 1.00 23.20 C ATOM 217 C GLN A 34 -20.630 -0.681 -21.498 1.00 53.41 C ATOM 218 O GLN A 34 -20.092 0.345 -21.081 1.00 10.40 O ATOM 219 CB GLN A 34 -22.777 -1.266 -20.355 1.00 71.13 C ATOM 220 CG GLN A 34 -23.707 -1.906 -21.374 1.00 2.41 C ATOM 221 CD GLN A 34 -23.721 -3.419 -21.282 1.00 41.31 C ATOM 222 OE1 GLN A 34 -24.454 -3.997 -20.479 1.00 52.33 O ATOM 223 NE2 GLN A 34 -22.908 -4.070 -22.106 1.00 53.32 N ATOM 0 H GLN A 34 -21.145 -1.236 -18.491 1.00 20.13 H new ATOM 0 HA GLN A 34 -21.256 -2.654 -20.968 1.00 23.20 H new ATOM 0 HB2 GLN A 34 -23.097 -1.552 -19.353 1.00 71.13 H new ATOM 0 HB3 GLN A 34 -22.870 -0.182 -20.421 1.00 71.13 H new ATOM 0 HG2 GLN A 34 -24.718 -1.527 -21.225 1.00 2.41 H new ATOM 0 HG3 GLN A 34 -23.400 -1.610 -22.377 1.00 2.41 H new ATOM 0 HE21 GLN A 34 -22.318 -3.551 -22.756 1.00 53.32 H new ATOM 0 HE22 GLN A 34 -22.874 -5.089 -22.089 1.00 53.32 H new ATOM 232 N CYS A 35 -20.659 -1.010 -22.785 1.00 53.42 N ATOM 233 CA CYS A 35 -20.047 -0.166 -23.805 1.00 22.35 C ATOM 234 C CYS A 35 -21.093 0.712 -24.485 1.00 11.04 C ATOM 235 O CYS A 35 -22.281 0.635 -24.172 1.00 2.41 O ATOM 236 CB CYS A 35 -19.333 -1.028 -24.848 1.00 24.24 C ATOM 237 SG CYS A 35 -20.454 -1.863 -26.016 1.00 4.10 S ATOM 0 H CYS A 35 -21.100 -1.856 -23.147 1.00 53.42 H new ATOM 0 HA CYS A 35 -19.318 0.481 -23.316 1.00 22.35 H new ATOM 0 HB2 CYS A 35 -18.641 -0.401 -25.410 1.00 24.24 H new ATOM 0 HB3 CYS A 35 -18.735 -1.780 -24.334 1.00 24.24 H new ATOM 0 HG CYS A 35 -19.770 -2.666 -26.775 1.00 4.10 H new ATOM 242 N ALA A 36 -20.642 1.546 -25.416 1.00 75.33 N ATOM 243 CA ALA A 36 -21.539 2.437 -26.142 1.00 70.33 C ATOM 244 C ALA A 36 -22.592 1.648 -26.912 1.00 74.53 C ATOM 245 O ALA A 36 -22.330 0.544 -27.388 1.00 44.02 O ATOM 246 CB ALA A 36 -20.747 3.326 -27.089 1.00 3.22 C ATOM 0 H ALA A 36 -19.661 1.623 -25.685 1.00 75.33 H new ATOM 0 HA ALA A 36 -22.053 3.066 -25.415 1.00 70.33 H new ATOM 0 HB1 ALA A 36 -21.429 3.986 -27.625 1.00 3.22 H new ATOM 0 HB2 ALA A 36 -20.037 3.924 -26.518 1.00 3.22 H new ATOM 0 HB3 ALA A 36 -20.207 2.706 -27.804 1.00 3.22 H new ATOM 252 N ASN A 37 -23.786 2.221 -27.030 1.00 22.30 N ATOM 253 CA ASN A 37 -24.880 1.569 -27.741 1.00 44.45 C ATOM 254 C ASN A 37 -24.920 2.013 -29.201 1.00 22.13 C ATOM 255 O ASN A 37 -25.891 1.757 -29.912 1.00 73.22 O ATOM 256 CB ASN A 37 -26.215 1.884 -27.064 1.00 70.02 C ATOM 257 CG ASN A 37 -27.368 1.108 -27.671 1.00 70.01 C ATOM 258 OD1 ASN A 37 -28.436 1.662 -27.929 1.00 54.52 O ATOM 259 ND2 ASN A 37 -27.156 -0.183 -27.902 1.00 11.54 N ATOM 0 H ASN A 37 -24.020 3.135 -26.643 1.00 22.30 H new ATOM 0 HA ASN A 37 -24.710 0.493 -27.711 1.00 44.45 H new ATOM 0 HB2 ASN A 37 -26.144 1.652 -26.001 1.00 70.02 H new ATOM 0 HB3 ASN A 37 -26.417 2.952 -27.144 1.00 70.02 H new ATOM 0 HD21 ASN A 37 -27.895 -0.756 -28.309 1.00 11.54 H new ATOM 0 HD22 ASN A 37 -26.254 -0.601 -27.672 1.00 11.54 H new ATOM 266 N VAL A 38 -23.857 2.679 -29.641 1.00 0.35 N ATOM 267 CA VAL A 38 -23.769 3.157 -31.015 1.00 53.22 C ATOM 268 C VAL A 38 -24.117 2.051 -32.005 1.00 31.02 C ATOM 269 O VAL A 38 -23.667 0.913 -31.865 1.00 52.14 O ATOM 270 CB VAL A 38 -22.361 3.692 -31.335 1.00 2.55 C ATOM 271 CG1 VAL A 38 -21.942 4.737 -30.311 1.00 44.03 C ATOM 272 CG2 VAL A 38 -21.356 2.551 -31.385 1.00 55.15 C ATOM 0 H VAL A 38 -23.045 2.900 -29.065 1.00 0.35 H new ATOM 0 HA VAL A 38 -24.489 3.969 -31.113 1.00 53.22 H new ATOM 0 HB VAL A 38 -22.386 4.167 -32.316 1.00 2.55 H new ATOM 0 HG11 VAL A 38 -20.945 5.104 -30.553 1.00 44.03 H new ATOM 0 HG12 VAL A 38 -22.648 5.567 -30.328 1.00 44.03 H new ATOM 0 HG13 VAL A 38 -21.933 4.289 -29.317 1.00 44.03 H new ATOM 0 HG21 VAL A 38 -20.366 2.947 -31.612 1.00 55.15 H new ATOM 0 HG22 VAL A 38 -21.331 2.045 -30.420 1.00 55.15 H new ATOM 0 HG23 VAL A 38 -21.649 1.842 -32.159 1.00 55.15 H new ATOM 282 N THR A 39 -24.921 2.392 -33.007 1.00 15.21 N ATOM 283 CA THR A 39 -25.331 1.428 -34.020 1.00 41.45 C ATOM 284 C THR A 39 -24.571 1.645 -35.324 1.00 51.21 C ATOM 285 O THR A 39 -24.126 2.755 -35.618 1.00 23.01 O ATOM 286 CB THR A 39 -26.843 1.515 -34.300 1.00 51.43 C ATOM 287 OG1 THR A 39 -27.215 2.873 -34.565 1.00 30.32 O ATOM 288 CG2 THR A 39 -27.643 0.986 -33.120 1.00 32.12 C ATOM 0 H THR A 39 -25.301 3.329 -33.139 1.00 15.21 H new ATOM 0 HA THR A 39 -25.099 0.438 -33.627 1.00 41.45 H new ATOM 0 HB THR A 39 -27.064 0.901 -35.173 1.00 51.43 H new ATOM 0 HG1 THR A 39 -28.177 2.920 -34.744 1.00 30.32 H new ATOM 0 HG21 THR A 39 -28.708 1.058 -33.341 1.00 32.12 H new ATOM 0 HG22 THR A 39 -27.379 -0.056 -32.939 1.00 32.12 H new ATOM 0 HG23 THR A 39 -27.416 1.577 -32.232 1.00 32.12 H new ATOM 296 N CYS A 40 -24.427 0.579 -36.104 1.00 22.12 N ATOM 297 CA CYS A 40 -23.721 0.652 -37.377 1.00 41.13 C ATOM 298 C CYS A 40 -24.661 0.341 -38.539 1.00 25.13 C ATOM 299 O CYS A 40 -25.667 -0.348 -38.369 1.00 43.11 O ATOM 300 CB CYS A 40 -22.541 -0.322 -37.387 1.00 2.42 C ATOM 301 SG CYS A 40 -21.818 -0.630 -35.743 1.00 42.33 S ATOM 0 H CYS A 40 -24.790 -0.346 -35.876 1.00 22.12 H new ATOM 0 HA CYS A 40 -23.346 1.668 -37.498 1.00 41.13 H new ATOM 0 HB2 CYS A 40 -22.870 -1.271 -37.811 1.00 2.42 H new ATOM 0 HB3 CYS A 40 -21.766 0.070 -38.046 1.00 2.42 H new ATOM 306 N ARG A 41 -24.324 0.853 -39.718 1.00 14.30 N ATOM 307 CA ARG A 41 -25.138 0.631 -40.907 1.00 41.33 C ATOM 308 C ARG A 41 -24.287 0.100 -42.057 1.00 22.43 C ATOM 309 O ARG A 41 -23.263 0.686 -42.407 1.00 42.50 O ATOM 310 CB ARG A 41 -25.829 1.930 -41.328 1.00 62.43 C ATOM 311 CG ARG A 41 -26.526 2.647 -40.184 1.00 4.50 C ATOM 312 CD ARG A 41 -27.802 3.331 -40.650 1.00 21.43 C ATOM 313 NE ARG A 41 -27.548 4.675 -41.161 1.00 61.22 N ATOM 314 CZ ARG A 41 -28.490 5.454 -41.681 1.00 33.35 C ATOM 315 NH1 ARG A 41 -29.742 5.024 -41.756 1.00 54.53 N1+ ATOM 316 NH2 ARG A 41 -28.181 6.665 -42.125 1.00 1.11 N ATOM 0 H ARG A 41 -23.494 1.424 -39.875 1.00 14.30 H new ATOM 0 HA ARG A 41 -25.896 -0.114 -40.664 1.00 41.33 H new ATOM 0 HB2 ARG A 41 -25.089 2.599 -41.768 1.00 62.43 H new ATOM 0 HB3 ARG A 41 -26.560 1.707 -42.105 1.00 62.43 H new ATOM 0 HG2 ARG A 41 -26.762 1.933 -39.395 1.00 4.50 H new ATOM 0 HG3 ARG A 41 -25.852 3.387 -39.752 1.00 4.50 H new ATOM 0 HD2 ARG A 41 -28.272 2.730 -41.429 1.00 21.43 H new ATOM 0 HD3 ARG A 41 -28.507 3.386 -39.821 1.00 21.43 H new ATOM 0 HE ARG A 41 -26.595 5.036 -41.116 1.00 61.22 H new ATOM 0 HH11 ARG A 41 -29.983 4.094 -41.414 1.00 54.53 H new ATOM 0 HH12 ARG A 41 -30.464 5.623 -42.156 1.00 54.53 H new ATOM 0 HH21 ARG A 41 -27.219 6.999 -42.067 1.00 1.11 H new ATOM 0 HH22 ARG A 41 -28.905 7.262 -42.524 1.00 1.11 H new ATOM 330 N ARG A 42 -24.717 -1.015 -42.639 1.00 15.21 N ATOM 331 CA ARG A 42 -23.994 -1.626 -43.747 1.00 73.52 C ATOM 332 C ARG A 42 -24.960 -2.114 -44.824 1.00 1.44 C ATOM 333 O ARG A 42 -26.005 -2.691 -44.521 1.00 50.31 O ATOM 334 CB ARG A 42 -23.142 -2.794 -43.246 1.00 2.53 C ATOM 335 CG ARG A 42 -23.941 -4.056 -42.967 1.00 71.14 C ATOM 336 CD ARG A 42 -23.736 -5.097 -44.057 1.00 53.53 C ATOM 337 NE ARG A 42 -24.802 -5.061 -45.055 1.00 72.11 N ATOM 338 CZ ARG A 42 -25.993 -5.622 -44.878 1.00 54.22 C ATOM 339 NH1 ARG A 42 -26.269 -6.257 -43.748 1.00 33.42 N1+ ATOM 340 NH2 ARG A 42 -26.912 -5.547 -45.833 1.00 43.11 N ATOM 0 H ARG A 42 -25.563 -1.513 -42.361 1.00 15.21 H new ATOM 0 HA ARG A 42 -23.342 -0.869 -44.183 1.00 73.52 H new ATOM 0 HB2 ARG A 42 -22.374 -3.017 -43.987 1.00 2.53 H new ATOM 0 HB3 ARG A 42 -22.627 -2.492 -42.334 1.00 2.53 H new ATOM 0 HG2 ARG A 42 -23.643 -4.472 -42.005 1.00 71.14 H new ATOM 0 HG3 ARG A 42 -25.000 -3.809 -42.893 1.00 71.14 H new ATOM 0 HD2 ARG A 42 -22.776 -4.927 -44.545 1.00 53.53 H new ATOM 0 HD3 ARG A 42 -23.693 -6.089 -43.608 1.00 53.53 H new ATOM 0 HE ARG A 42 -24.622 -4.579 -45.936 1.00 72.11 H new ATOM 0 HH11 ARG A 42 -25.566 -6.316 -43.011 1.00 33.42 H new ATOM 0 HH12 ARG A 42 -27.184 -6.687 -43.615 1.00 33.42 H new ATOM 0 HH21 ARG A 42 -26.704 -5.058 -46.704 1.00 43.11 H new ATOM 0 HH22 ARG A 42 -27.826 -5.978 -45.696 1.00 43.11 H new ATOM 354 N THR A 43 -24.603 -1.877 -46.082 1.00 55.13 N ATOM 355 CA THR A 43 -25.438 -2.289 -47.204 1.00 31.45 C ATOM 356 C THR A 43 -24.617 -3.016 -48.262 1.00 62.04 C ATOM 357 O THR A 43 -23.471 -2.655 -48.529 1.00 44.34 O ATOM 358 CB THR A 43 -26.141 -1.083 -47.854 1.00 74.20 C ATOM 359 OG1 THR A 43 -26.118 0.037 -46.962 1.00 62.04 O ATOM 360 CG2 THR A 43 -27.581 -1.424 -48.211 1.00 5.43 C ATOM 0 H THR A 43 -23.741 -1.402 -46.350 1.00 55.13 H new ATOM 0 HA THR A 43 -26.192 -2.967 -46.804 1.00 31.45 H new ATOM 0 HB THR A 43 -25.606 -0.829 -48.769 1.00 74.20 H new ATOM 0 HG1 THR A 43 -25.942 0.856 -47.470 1.00 62.04 H new ATOM 0 HG21 THR A 43 -28.057 -0.557 -48.669 1.00 5.43 H new ATOM 0 HG22 THR A 43 -27.594 -2.258 -48.913 1.00 5.43 H new ATOM 0 HG23 THR A 43 -28.124 -1.702 -47.307 1.00 5.43 H new ATOM 368 N VAL A 44 -25.210 -4.042 -48.864 1.00 31.31 N ATOM 369 CA VAL A 44 -24.533 -4.819 -49.896 1.00 15.13 C ATOM 370 C VAL A 44 -25.538 -5.536 -50.791 1.00 23.21 C ATOM 371 O VAL A 44 -26.308 -6.377 -50.327 1.00 60.44 O ATOM 372 CB VAL A 44 -23.578 -5.858 -49.280 1.00 4.10 C ATOM 373 CG1 VAL A 44 -24.304 -6.707 -48.248 1.00 12.42 C ATOM 374 CG2 VAL A 44 -22.969 -6.731 -50.367 1.00 5.13 C ATOM 0 H VAL A 44 -26.158 -4.355 -48.655 1.00 31.31 H new ATOM 0 HA VAL A 44 -23.955 -4.115 -50.495 1.00 15.13 H new ATOM 0 HB VAL A 44 -22.770 -5.328 -48.775 1.00 4.10 H new ATOM 0 HG11 VAL A 44 -23.612 -7.435 -47.824 1.00 12.42 H new ATOM 0 HG12 VAL A 44 -24.687 -6.066 -47.454 1.00 12.42 H new ATOM 0 HG13 VAL A 44 -25.133 -7.229 -48.725 1.00 12.42 H new ATOM 0 HG21 VAL A 44 -22.297 -7.460 -49.914 1.00 5.13 H new ATOM 0 HG22 VAL A 44 -23.763 -7.253 -50.902 1.00 5.13 H new ATOM 0 HG23 VAL A 44 -22.411 -6.107 -51.065 1.00 5.13 H new ATOM 384 N ASP A 45 -25.523 -5.198 -52.076 1.00 35.35 N ATOM 385 CA ASP A 45 -26.432 -5.811 -53.037 1.00 71.25 C ATOM 386 C ASP A 45 -25.670 -6.317 -54.258 1.00 74.24 C ATOM 387 O ASP A 45 -24.668 -5.730 -54.664 1.00 73.21 O ATOM 388 CB ASP A 45 -27.504 -4.809 -53.469 1.00 30.12 C ATOM 389 CG ASP A 45 -26.969 -3.768 -54.432 1.00 1.42 C ATOM 390 OD1 ASP A 45 -26.432 -2.743 -53.960 1.00 54.02 O ATOM 391 OD2 ASP A 45 -27.086 -3.978 -55.657 1.00 43.51 O ATOM 0 H ASP A 45 -24.892 -4.503 -52.476 1.00 35.35 H new ATOM 0 HA ASP A 45 -26.914 -6.661 -52.553 1.00 71.25 H new ATOM 0 HB2 ASP A 45 -28.329 -5.344 -53.939 1.00 30.12 H new ATOM 0 HB3 ASP A 45 -27.908 -4.311 -52.588 1.00 30.12 H new ATOM 396 N ASN A 46 -26.153 -7.411 -54.839 1.00 23.20 N ATOM 397 CA ASN A 46 -25.516 -7.998 -56.013 1.00 11.51 C ATOM 398 C ASN A 46 -24.004 -8.076 -55.829 1.00 45.34 C ATOM 399 O ASN A 46 -23.247 -8.028 -56.799 1.00 50.34 O ATOM 400 CB ASN A 46 -25.848 -7.178 -57.262 1.00 1.15 C ATOM 401 CG ASN A 46 -26.353 -8.041 -58.402 1.00 45.41 C ATOM 402 OD1 ASN A 46 -27.061 -9.024 -58.185 1.00 51.41 O ATOM 403 ND2 ASN A 46 -25.988 -7.675 -59.626 1.00 34.42 N ATOM 0 H ASN A 46 -26.983 -7.909 -54.516 1.00 23.20 H new ATOM 0 HA ASN A 46 -25.901 -9.010 -56.138 1.00 11.51 H new ATOM 0 HB2 ASN A 46 -26.602 -6.431 -57.013 1.00 1.15 H new ATOM 0 HB3 ASN A 46 -24.959 -6.637 -57.585 1.00 1.15 H new ATOM 0 HD21 ASN A 46 -26.296 -8.217 -60.433 1.00 34.42 H new ATOM 0 HD22 ASN A 46 -25.400 -6.852 -59.758 1.00 34.42 H new ATOM 410 N ARG A 47 -23.570 -8.197 -54.579 1.00 32.11 N ATOM 411 CA ARG A 47 -22.148 -8.281 -54.268 1.00 33.52 C ATOM 412 C ARG A 47 -21.780 -9.681 -53.783 1.00 41.32 C ATOM 413 O ARG A 47 -20.684 -10.173 -54.050 1.00 14.30 O ATOM 414 CB ARG A 47 -21.775 -7.247 -53.204 1.00 61.14 C ATOM 415 CG ARG A 47 -20.499 -6.483 -53.519 1.00 72.23 C ATOM 416 CD ARG A 47 -19.400 -6.797 -52.517 1.00 21.15 C ATOM 417 NE ARG A 47 -19.543 -6.022 -51.287 1.00 31.31 N ATOM 418 CZ ARG A 47 -18.589 -5.917 -50.369 1.00 64.31 C ATOM 419 NH1 ARG A 47 -17.428 -6.534 -50.542 1.00 23.24 N1+ ATOM 420 NH2 ARG A 47 -18.794 -5.194 -49.276 1.00 52.41 N ATOM 0 H ARG A 47 -24.183 -8.239 -53.765 1.00 32.11 H new ATOM 0 HA ARG A 47 -21.589 -8.072 -55.180 1.00 33.52 H new ATOM 0 HB2 ARG A 47 -22.596 -6.538 -53.095 1.00 61.14 H new ATOM 0 HB3 ARG A 47 -21.659 -7.751 -52.244 1.00 61.14 H new ATOM 0 HG2 ARG A 47 -20.160 -6.737 -54.523 1.00 72.23 H new ATOM 0 HG3 ARG A 47 -20.704 -5.412 -53.513 1.00 72.23 H new ATOM 0 HD2 ARG A 47 -19.419 -7.861 -52.280 1.00 21.15 H new ATOM 0 HD3 ARG A 47 -18.429 -6.588 -52.966 1.00 21.15 H new ATOM 0 HE ARG A 47 -20.424 -5.535 -51.124 1.00 31.31 H new ATOM 0 HH11 ARG A 47 -17.266 -7.091 -51.381 1.00 23.24 H new ATOM 0 HH12 ARG A 47 -16.697 -6.452 -49.836 1.00 23.24 H new ATOM 0 HH21 ARG A 47 -19.685 -4.718 -49.139 1.00 52.41 H new ATOM 0 HH22 ARG A 47 -18.060 -5.115 -48.572 1.00 52.41 H new ATOM 434 N GLY A 48 -22.704 -10.316 -53.069 1.00 23.44 N ATOM 435 CA GLY A 48 -22.457 -11.652 -52.558 1.00 21.14 C ATOM 436 C GLY A 48 -21.485 -11.657 -51.395 1.00 22.54 C ATOM 437 O GLY A 48 -21.189 -12.709 -50.827 1.00 63.55 O ATOM 0 H GLY A 48 -23.619 -9.930 -52.835 1.00 23.44 H new ATOM 0 HA2 GLY A 48 -23.400 -12.097 -52.241 1.00 21.14 H new ATOM 0 HA3 GLY A 48 -22.063 -12.277 -53.359 1.00 21.14 H new ATOM 441 N LYS A 49 -20.985 -10.479 -51.038 1.00 64.21 N ATOM 442 CA LYS A 49 -20.039 -10.351 -49.935 1.00 54.34 C ATOM 443 C LYS A 49 -20.671 -9.610 -48.761 1.00 42.52 C ATOM 444 O LYS A 49 -21.294 -8.563 -48.939 1.00 12.23 O ATOM 445 CB LYS A 49 -18.780 -9.615 -50.399 1.00 52.10 C ATOM 446 CG LYS A 49 -17.504 -10.126 -49.753 1.00 33.04 C ATOM 447 CD LYS A 49 -16.315 -9.998 -50.689 1.00 62.44 C ATOM 448 CE LYS A 49 -15.601 -11.330 -50.869 1.00 13.42 C ATOM 449 NZ LYS A 49 -16.039 -12.031 -52.107 1.00 41.05 N1+ ATOM 0 H LYS A 49 -21.219 -9.598 -51.497 1.00 64.21 H new ATOM 0 HA LYS A 49 -19.765 -11.353 -49.605 1.00 54.34 H new ATOM 0 HB2 LYS A 49 -18.692 -9.709 -51.481 1.00 52.10 H new ATOM 0 HB3 LYS A 49 -18.888 -8.553 -50.179 1.00 52.10 H new ATOM 0 HG2 LYS A 49 -17.309 -9.567 -48.838 1.00 33.04 H new ATOM 0 HG3 LYS A 49 -17.633 -11.170 -49.467 1.00 33.04 H new ATOM 0 HD2 LYS A 49 -16.652 -9.631 -51.658 1.00 62.44 H new ATOM 0 HD3 LYS A 49 -15.617 -9.260 -50.293 1.00 62.44 H new ATOM 0 HE2 LYS A 49 -14.525 -11.163 -50.908 1.00 13.42 H new ATOM 0 HE3 LYS A 49 -15.794 -11.965 -50.004 1.00 13.42 H new ATOM 0 HZ1 LYS A 49 -15.530 -12.934 -52.193 1.00 41.05 H new ATOM 0 HZ2 LYS A 49 -17.062 -12.214 -52.059 1.00 41.05 H new ATOM 0 HZ3 LYS A 49 -15.832 -11.436 -52.935 1.00 41.05 H new ATOM 463 N ARG A 50 -20.504 -10.158 -47.562 1.00 60.23 N ATOM 464 CA ARG A 50 -21.058 -9.548 -46.359 1.00 65.43 C ATOM 465 C ARG A 50 -20.033 -8.636 -45.692 1.00 10.43 C ATOM 466 O ARG A 50 -18.925 -9.062 -45.366 1.00 21.44 O ATOM 467 CB ARG A 50 -21.511 -10.629 -45.376 1.00 64.31 C ATOM 468 CG ARG A 50 -22.303 -11.751 -46.027 1.00 31.10 C ATOM 469 CD ARG A 50 -23.632 -11.251 -46.571 1.00 34.33 C ATOM 470 NE ARG A 50 -24.383 -10.495 -45.572 1.00 30.54 N ATOM 471 CZ ARG A 50 -25.369 -9.658 -45.872 1.00 12.30 C ATOM 472 NH1 ARG A 50 -25.722 -9.470 -47.136 1.00 50.01 N1+ ATOM 473 NH2 ARG A 50 -26.005 -9.006 -44.907 1.00 20.14 N ATOM 0 H ARG A 50 -19.990 -11.023 -47.398 1.00 60.23 H new ATOM 0 HA ARG A 50 -21.920 -8.947 -46.650 1.00 65.43 H new ATOM 0 HB2 ARG A 50 -20.635 -11.052 -44.885 1.00 64.31 H new ATOM 0 HB3 ARG A 50 -22.121 -10.169 -44.599 1.00 64.31 H new ATOM 0 HG2 ARG A 50 -21.719 -12.188 -46.836 1.00 31.10 H new ATOM 0 HG3 ARG A 50 -22.481 -12.542 -45.299 1.00 31.10 H new ATOM 0 HD2 ARG A 50 -23.453 -10.622 -47.443 1.00 34.33 H new ATOM 0 HD3 ARG A 50 -24.228 -12.099 -46.907 1.00 34.33 H new ATOM 0 HE ARG A 50 -24.136 -10.617 -44.590 1.00 30.54 H new ATOM 0 HH11 ARG A 50 -25.236 -9.969 -47.881 1.00 50.01 H new ATOM 0 HH12 ARG A 50 -26.480 -8.826 -47.364 1.00 50.01 H new ATOM 0 HH21 ARG A 50 -25.737 -9.148 -43.933 1.00 20.14 H new ATOM 0 HH22 ARG A 50 -26.762 -8.363 -45.139 1.00 20.14 H new ATOM 487 N HIS A 51 -20.411 -7.377 -45.492 1.00 1.11 N ATOM 488 CA HIS A 51 -19.525 -6.403 -44.863 1.00 71.51 C ATOM 489 C HIS A 51 -19.990 -6.082 -43.446 1.00 1.11 C ATOM 490 O HIS A 51 -21.144 -5.710 -43.230 1.00 61.34 O ATOM 491 CB HIS A 51 -19.467 -5.123 -45.696 1.00 41.31 C ATOM 492 CG HIS A 51 -18.249 -4.292 -45.433 1.00 11.44 C ATOM 493 ND1 HIS A 51 -17.053 -4.479 -46.092 1.00 62.13 N ATOM 494 CD2 HIS A 51 -18.048 -3.263 -44.576 1.00 64.01 C ATOM 495 CE1 HIS A 51 -16.168 -3.603 -45.652 1.00 4.02 C ATOM 496 NE2 HIS A 51 -16.746 -2.853 -44.731 1.00 53.24 N ATOM 0 H HIS A 51 -21.324 -7.007 -45.756 1.00 1.11 H new ATOM 0 HA HIS A 51 -18.527 -6.838 -44.809 1.00 71.51 H new ATOM 0 HB2 HIS A 51 -19.496 -5.386 -46.753 1.00 41.31 H new ATOM 0 HB3 HIS A 51 -20.355 -4.526 -45.491 1.00 41.31 H new ATOM 0 HD2 HIS A 51 -18.776 -2.843 -43.897 1.00 64.01 H new ATOM 0 HE1 HIS A 51 -15.145 -3.515 -45.988 1.00 4.02 H new ATOM 0 HE2 HIS A 51 -16.298 -2.093 -44.218 1.00 53.24 H new ATOM 504 N ILE A 52 -19.085 -6.228 -42.484 1.00 62.12 N ATOM 505 CA ILE A 52 -19.403 -5.953 -41.089 1.00 5.14 C ATOM 506 C ILE A 52 -18.626 -4.745 -40.576 1.00 24.13 C ATOM 507 O ILE A 52 -17.444 -4.579 -40.880 1.00 54.13 O ATOM 508 CB ILE A 52 -19.094 -7.166 -40.191 1.00 75.12 C ATOM 509 CG1 ILE A 52 -19.226 -8.465 -40.989 1.00 55.12 C ATOM 510 CG2 ILE A 52 -20.022 -7.182 -38.986 1.00 32.25 C ATOM 511 CD1 ILE A 52 -20.616 -8.697 -41.541 1.00 1.34 C ATOM 0 H ILE A 52 -18.126 -6.535 -42.646 1.00 62.12 H new ATOM 0 HA ILE A 52 -20.471 -5.741 -41.045 1.00 5.14 H new ATOM 0 HB ILE A 52 -18.068 -7.084 -39.834 1.00 75.12 H new ATOM 0 HG12 ILE A 52 -18.514 -8.449 -41.814 1.00 55.12 H new ATOM 0 HG13 ILE A 52 -18.953 -9.304 -40.349 1.00 55.12 H new ATOM 0 HG21 ILE A 52 -19.792 -8.045 -38.361 1.00 32.25 H new ATOM 0 HG22 ILE A 52 -19.884 -6.268 -38.408 1.00 32.25 H new ATOM 0 HG23 ILE A 52 -21.056 -7.245 -39.324 1.00 32.25 H new ATOM 0 HD11 ILE A 52 -20.636 -9.636 -42.095 1.00 1.34 H new ATOM 0 HD12 ILE A 52 -21.330 -8.746 -40.719 1.00 1.34 H new ATOM 0 HD13 ILE A 52 -20.885 -7.877 -42.207 1.00 1.34 H new ATOM 523 N ASP A 53 -19.296 -3.906 -39.794 1.00 52.34 N ATOM 524 CA ASP A 53 -18.668 -2.714 -39.236 1.00 12.11 C ATOM 525 C ASP A 53 -18.454 -2.866 -37.733 1.00 54.11 C ATOM 526 O ASP A 53 -19.233 -3.529 -37.049 1.00 42.10 O ATOM 527 CB ASP A 53 -19.525 -1.479 -39.519 1.00 74.34 C ATOM 528 CG ASP A 53 -18.745 -0.188 -39.378 1.00 3.53 C ATOM 529 OD1 ASP A 53 -17.499 -0.250 -39.330 1.00 64.01 O ATOM 530 OD2 ASP A 53 -19.380 0.886 -39.314 1.00 1.15 O ATOM 0 H ASP A 53 -20.274 -4.029 -39.532 1.00 52.34 H new ATOM 0 HA ASP A 53 -17.696 -2.589 -39.713 1.00 12.11 H new ATOM 0 HB2 ASP A 53 -19.931 -1.546 -40.528 1.00 74.34 H new ATOM 0 HB3 ASP A 53 -20.373 -1.464 -38.834 1.00 74.34 H new ATOM 535 N GLY A 54 -17.392 -2.247 -37.226 1.00 34.12 N ATOM 536 CA GLY A 54 -17.095 -2.327 -35.808 1.00 25.03 C ATOM 537 C GLY A 54 -17.271 -0.997 -35.102 1.00 43.15 C ATOM 538 O GLY A 54 -17.346 0.050 -35.746 1.00 3.42 O ATOM 0 H GLY A 54 -16.733 -1.692 -37.772 1.00 34.12 H new ATOM 0 HA2 GLY A 54 -17.745 -3.069 -35.345 1.00 25.03 H new ATOM 0 HA3 GLY A 54 -16.070 -2.673 -35.674 1.00 25.03 H new ATOM 542 N CYS A 55 -17.339 -1.037 -33.776 1.00 42.20 N ATOM 543 CA CYS A 55 -17.510 0.174 -32.982 1.00 23.22 C ATOM 544 C CYS A 55 -16.227 0.517 -32.231 1.00 4.14 C ATOM 545 O CYS A 55 -15.516 -0.357 -31.733 1.00 50.24 O ATOM 546 CB CYS A 55 -18.663 0.000 -31.991 1.00 42.43 C ATOM 547 SG CYS A 55 -20.044 -1.004 -32.626 1.00 42.22 S ATOM 0 H CYS A 55 -17.278 -1.895 -33.228 1.00 42.20 H new ATOM 0 HA CYS A 55 -17.743 0.994 -33.661 1.00 23.22 H new ATOM 0 HB2 CYS A 55 -18.280 -0.463 -31.082 1.00 42.43 H new ATOM 0 HB3 CYS A 55 -19.041 0.984 -31.713 1.00 42.43 H new ATOM 552 N PRO A 56 -15.922 1.821 -32.145 1.00 60.40 N ATOM 553 CA PRO A 56 -14.724 2.310 -31.456 1.00 34.03 C ATOM 554 C PRO A 56 -14.812 2.131 -29.944 1.00 22.21 C ATOM 555 O PRO A 56 -13.802 2.018 -29.249 1.00 30.34 O ATOM 556 CB PRO A 56 -14.690 3.797 -31.817 1.00 12.12 C ATOM 557 CG PRO A 56 -16.108 4.149 -32.110 1.00 21.43 C ATOM 558 CD PRO A 56 -16.723 2.917 -32.714 1.00 74.12 C ATOM 0 HA PRO A 56 -13.830 1.764 -31.756 1.00 34.03 H new ATOM 0 HB2 PRO A 56 -14.296 4.395 -30.995 1.00 12.12 H new ATOM 0 HB3 PRO A 56 -14.050 3.980 -32.680 1.00 12.12 H new ATOM 0 HG2 PRO A 56 -16.633 4.442 -31.201 1.00 21.43 H new ATOM 0 HG3 PRO A 56 -16.167 4.992 -32.798 1.00 21.43 H new ATOM 0 HD2 PRO A 56 -17.776 2.823 -32.450 1.00 74.12 H new ATOM 0 HD3 PRO A 56 -16.667 2.932 -33.802 1.00 74.12 H new ATOM 566 N PRO A 57 -16.047 2.103 -29.421 1.00 4.42 N ATOM 567 CA PRO A 57 -16.295 1.937 -27.986 1.00 22.03 C ATOM 568 C PRO A 57 -15.951 0.534 -27.497 1.00 5.33 C ATOM 569 O PRO A 57 -16.184 0.196 -26.337 1.00 65.01 O ATOM 570 CB PRO A 57 -17.798 2.196 -27.853 1.00 63.43 C ATOM 571 CG PRO A 57 -18.359 1.863 -29.193 1.00 3.22 C ATOM 572 CD PRO A 57 -17.296 2.232 -30.190 1.00 45.32 C ATOM 0 HA PRO A 57 -15.679 2.606 -27.386 1.00 22.03 H new ATOM 0 HB2 PRO A 57 -18.239 1.575 -27.073 1.00 63.43 H new ATOM 0 HB3 PRO A 57 -17.999 3.234 -27.586 1.00 63.43 H new ATOM 0 HG2 PRO A 57 -18.606 0.804 -29.260 1.00 3.22 H new ATOM 0 HG3 PRO A 57 -19.279 2.417 -29.380 1.00 3.22 H new ATOM 0 HD2 PRO A 57 -17.307 1.567 -31.053 1.00 45.32 H new ATOM 0 HD3 PRO A 57 -17.433 3.246 -30.567 1.00 45.32 H new ATOM 580 N GLY A 58 -15.394 -0.279 -28.389 1.00 43.13 N ATOM 581 CA GLY A 58 -15.026 -1.636 -28.029 1.00 51.30 C ATOM 582 C GLY A 58 -16.119 -2.636 -28.347 1.00 71.53 C ATOM 583 O GLY A 58 -15.909 -3.846 -28.256 1.00 73.42 O ATOM 0 H GLY A 58 -15.191 -0.022 -29.355 1.00 43.13 H new ATOM 0 HA2 GLY A 58 -14.116 -1.916 -28.560 1.00 51.30 H new ATOM 0 HA3 GLY A 58 -14.799 -1.677 -26.964 1.00 51.30 H new ATOM 587 N CYS A 59 -17.291 -2.132 -28.720 1.00 65.13 N ATOM 588 CA CYS A 59 -18.422 -2.989 -29.051 1.00 73.52 C ATOM 589 C CYS A 59 -18.421 -3.343 -30.536 1.00 13.13 C ATOM 590 O CYS A 59 -17.777 -2.673 -31.344 1.00 71.33 O ATOM 591 CB CYS A 59 -19.737 -2.300 -28.681 1.00 2.22 C ATOM 592 SG CYS A 59 -20.089 -2.282 -26.894 1.00 34.34 S ATOM 0 H CYS A 59 -17.482 -1.133 -28.800 1.00 65.13 H new ATOM 0 HA CYS A 59 -18.328 -3.910 -28.476 1.00 73.52 H new ATOM 0 HB2 CYS A 59 -19.712 -1.273 -29.046 1.00 2.22 H new ATOM 0 HB3 CYS A 59 -20.556 -2.802 -29.197 1.00 2.22 H new ATOM 0 HG CYS A 59 -20.764 -1.212 -26.596 1.00 34.34 H new ATOM 597 N LEU A 60 -19.147 -4.399 -30.887 1.00 51.51 N ATOM 598 CA LEU A 60 -19.231 -4.842 -32.274 1.00 51.34 C ATOM 599 C LEU A 60 -20.685 -4.996 -32.710 1.00 2.51 C ATOM 600 O LEU A 60 -21.540 -5.401 -31.923 1.00 15.14 O ATOM 601 CB LEU A 60 -18.490 -6.168 -32.452 1.00 74.34 C ATOM 602 CG LEU A 60 -18.898 -7.007 -33.664 1.00 31.41 C ATOM 603 CD1 LEU A 60 -18.567 -6.276 -34.956 1.00 20.14 C ATOM 604 CD2 LEU A 60 -18.213 -8.366 -33.627 1.00 43.50 C ATOM 0 H LEU A 60 -19.686 -4.964 -30.230 1.00 51.51 H new ATOM 0 HA LEU A 60 -18.762 -4.084 -32.901 1.00 51.34 H new ATOM 0 HB2 LEU A 60 -17.423 -5.958 -32.523 1.00 74.34 H new ATOM 0 HB3 LEU A 60 -18.638 -6.767 -31.554 1.00 74.34 H new ATOM 0 HG LEU A 60 -19.976 -7.164 -33.626 1.00 31.41 H new ATOM 0 HD11 LEU A 60 -18.864 -6.889 -35.807 1.00 20.14 H new ATOM 0 HD12 LEU A 60 -19.104 -5.328 -34.986 1.00 20.14 H new ATOM 0 HD13 LEU A 60 -17.495 -6.087 -35.002 1.00 20.14 H new ATOM 0 HD21 LEU A 60 -18.515 -8.949 -34.497 1.00 43.50 H new ATOM 0 HD22 LEU A 60 -17.132 -8.229 -33.640 1.00 43.50 H new ATOM 0 HD23 LEU A 60 -18.501 -8.894 -32.718 1.00 43.50 H new ATOM 616 N CYS A 61 -20.957 -4.671 -33.969 1.00 72.34 N ATOM 617 CA CYS A 61 -22.307 -4.775 -34.512 1.00 4.45 C ATOM 618 C CYS A 61 -22.382 -5.861 -35.580 1.00 63.23 C ATOM 619 O CYS A 61 -21.728 -5.771 -36.620 1.00 35.11 O ATOM 620 CB CYS A 61 -22.746 -3.433 -35.101 1.00 10.10 C ATOM 621 SG CYS A 61 -22.166 -1.983 -34.163 1.00 13.02 S ATOM 0 H CYS A 61 -20.260 -4.333 -34.633 1.00 72.34 H new ATOM 0 HA CYS A 61 -22.980 -5.045 -33.698 1.00 4.45 H new ATOM 0 HB2 CYS A 61 -22.379 -3.360 -36.125 1.00 10.10 H new ATOM 0 HB3 CYS A 61 -23.835 -3.409 -35.150 1.00 10.10 H new ATOM 626 N VAL A 62 -23.183 -6.888 -35.317 1.00 34.32 N ATOM 627 CA VAL A 62 -23.346 -7.992 -36.256 1.00 3.04 C ATOM 628 C VAL A 62 -24.762 -8.032 -36.817 1.00 54.11 C ATOM 629 O VAL A 62 -25.721 -8.304 -36.094 1.00 35.14 O ATOM 630 CB VAL A 62 -23.030 -9.345 -35.591 1.00 72.20 C ATOM 631 CG1 VAL A 62 -23.824 -9.506 -34.304 1.00 34.03 C ATOM 632 CG2 VAL A 62 -23.318 -10.490 -36.551 1.00 43.41 C ATOM 0 H VAL A 62 -23.730 -6.979 -34.461 1.00 34.32 H new ATOM 0 HA VAL A 62 -22.641 -7.822 -37.070 1.00 3.04 H new ATOM 0 HB VAL A 62 -21.969 -9.368 -35.341 1.00 72.20 H new ATOM 0 HG11 VAL A 62 -23.588 -10.468 -33.849 1.00 34.03 H new ATOM 0 HG12 VAL A 62 -23.564 -8.704 -33.613 1.00 34.03 H new ATOM 0 HG13 VAL A 62 -24.890 -9.462 -34.526 1.00 34.03 H new ATOM 0 HG21 VAL A 62 -23.089 -11.438 -36.065 1.00 43.41 H new ATOM 0 HG22 VAL A 62 -24.371 -10.472 -36.834 1.00 43.41 H new ATOM 0 HG23 VAL A 62 -22.701 -10.381 -37.443 1.00 43.41 H new ATOM 642 N LEU A 63 -24.888 -7.760 -38.111 1.00 43.52 N ATOM 643 CA LEU A 63 -26.188 -7.765 -38.772 1.00 15.22 C ATOM 644 C LEU A 63 -26.184 -8.701 -39.976 1.00 20.22 C ATOM 645 O LEU A 63 -25.396 -8.531 -40.906 1.00 43.41 O ATOM 646 CB LEU A 63 -26.564 -6.349 -39.214 1.00 22.24 C ATOM 647 CG LEU A 63 -25.679 -5.727 -40.294 1.00 51.34 C ATOM 648 CD1 LEU A 63 -26.346 -4.494 -40.886 1.00 20.44 C ATOM 649 CD2 LEU A 63 -24.312 -5.375 -39.727 1.00 3.11 C ATOM 0 H LEU A 63 -24.105 -7.533 -38.724 1.00 43.52 H new ATOM 0 HA LEU A 63 -26.929 -8.125 -38.058 1.00 15.22 H new ATOM 0 HB2 LEU A 63 -27.591 -6.364 -39.578 1.00 22.24 H new ATOM 0 HB3 LEU A 63 -26.546 -5.700 -38.339 1.00 22.24 H new ATOM 0 HG LEU A 63 -25.542 -6.459 -41.090 1.00 51.34 H new ATOM 0 HD11 LEU A 63 -25.701 -4.065 -41.653 1.00 20.44 H new ATOM 0 HD12 LEU A 63 -27.301 -4.775 -41.330 1.00 20.44 H new ATOM 0 HD13 LEU A 63 -26.514 -3.758 -40.100 1.00 20.44 H new ATOM 0 HD21 LEU A 63 -23.696 -4.933 -40.510 1.00 3.11 H new ATOM 0 HD22 LEU A 63 -24.429 -4.661 -38.912 1.00 3.11 H new ATOM 0 HD23 LEU A 63 -23.830 -6.278 -39.352 1.00 3.11 H new ATOM 661 N LYS A 64 -27.071 -9.690 -39.953 1.00 20.22 N ATOM 662 CA LYS A 64 -27.173 -10.653 -41.043 1.00 40.44 C ATOM 663 C LYS A 64 -28.365 -10.334 -41.941 1.00 23.14 C ATOM 664 O LYS A 64 -29.494 -10.210 -41.468 1.00 41.13 O ATOM 665 CB LYS A 64 -27.305 -12.072 -40.487 1.00 63.44 C ATOM 666 CG LYS A 64 -27.053 -13.156 -41.521 1.00 63.23 C ATOM 667 CD LYS A 64 -25.567 -13.418 -41.704 1.00 52.22 C ATOM 668 CE LYS A 64 -25.100 -14.594 -40.861 1.00 34.32 C ATOM 669 NZ LYS A 64 -23.638 -14.535 -40.587 1.00 42.01 N1+ ATOM 0 H LYS A 64 -27.730 -9.846 -39.190 1.00 20.22 H new ATOM 0 HA LYS A 64 -26.263 -10.587 -41.639 1.00 40.44 H new ATOM 0 HB2 LYS A 64 -26.603 -12.197 -39.663 1.00 63.44 H new ATOM 0 HB3 LYS A 64 -28.306 -12.200 -40.075 1.00 63.44 H new ATOM 0 HG2 LYS A 64 -27.550 -14.076 -41.214 1.00 63.23 H new ATOM 0 HG3 LYS A 64 -27.491 -12.860 -42.474 1.00 63.23 H new ATOM 0 HD2 LYS A 64 -25.358 -13.617 -42.755 1.00 52.22 H new ATOM 0 HD3 LYS A 64 -25.003 -12.526 -41.430 1.00 52.22 H new ATOM 0 HE2 LYS A 64 -25.646 -14.604 -39.918 1.00 34.32 H new ATOM 0 HE3 LYS A 64 -25.336 -15.526 -41.375 1.00 34.32 H new ATOM 0 HZ1 LYS A 64 -23.360 -15.354 -40.010 1.00 42.01 H new ATOM 0 HZ2 LYS A 64 -23.115 -14.551 -41.486 1.00 42.01 H new ATOM 0 HZ3 LYS A 64 -23.416 -13.658 -40.073 1.00 42.01 H new ATOM 683 N GLY A 65 -28.105 -10.204 -43.238 1.00 71.32 N ATOM 684 CA GLY A 65 -29.167 -9.903 -44.181 1.00 2.24 C ATOM 685 C GLY A 65 -29.063 -10.721 -45.452 1.00 62.13 C ATOM 686 O GLY A 65 -28.092 -10.621 -46.203 1.00 11.22 O ATOM 0 H GLY A 65 -27.178 -10.302 -43.653 1.00 71.32 H new ATOM 0 HA2 GLY A 65 -30.131 -10.091 -43.709 1.00 2.24 H new ATOM 0 HA3 GLY A 65 -29.136 -8.843 -44.432 1.00 2.24 H new ATOM 690 N PRO A 66 -30.081 -11.555 -45.709 1.00 34.23 N ATOM 691 CA PRO A 66 -30.123 -12.411 -46.898 1.00 32.51 C ATOM 692 C PRO A 66 -30.326 -11.612 -48.181 1.00 30.53 C ATOM 693 O PRO A 66 -30.029 -10.419 -48.233 1.00 53.22 O ATOM 694 CB PRO A 66 -31.327 -13.321 -46.638 1.00 50.42 C ATOM 695 CG PRO A 66 -32.199 -12.540 -45.716 1.00 73.24 C ATOM 696 CD PRO A 66 -31.271 -11.726 -44.858 1.00 30.31 C ATOM 0 HA PRO A 66 -29.187 -12.951 -47.045 1.00 32.51 H new ATOM 0 HB2 PRO A 66 -31.847 -13.564 -47.565 1.00 50.42 H new ATOM 0 HB3 PRO A 66 -31.020 -14.265 -46.188 1.00 50.42 H new ATOM 0 HG2 PRO A 66 -32.879 -11.897 -46.274 1.00 73.24 H new ATOM 0 HG3 PRO A 66 -32.814 -13.202 -45.106 1.00 73.24 H new ATOM 0 HD2 PRO A 66 -31.712 -10.767 -44.587 1.00 30.31 H new ATOM 0 HD3 PRO A 66 -31.029 -12.240 -43.928 1.00 30.31 H new ATOM 704 N ASP A 67 -30.833 -12.278 -49.212 1.00 53.25 N ATOM 705 CA ASP A 67 -31.077 -11.629 -50.495 1.00 54.24 C ATOM 706 C ASP A 67 -31.894 -10.353 -50.313 1.00 33.55 C ATOM 707 O ASP A 67 -31.849 -9.450 -51.148 1.00 30.42 O ATOM 708 CB ASP A 67 -31.804 -12.583 -51.444 1.00 34.31 C ATOM 709 CG ASP A 67 -30.912 -13.709 -51.928 1.00 71.24 C ATOM 710 OD1 ASP A 67 -31.451 -14.758 -52.338 1.00 70.23 O ATOM 711 OD2 ASP A 67 -29.675 -13.542 -51.897 1.00 3.52 O ATOM 0 H ASP A 67 -31.083 -13.267 -49.185 1.00 53.25 H new ATOM 0 HA ASP A 67 -30.113 -11.363 -50.928 1.00 54.24 H new ATOM 0 HB2 ASP A 67 -32.672 -13.004 -50.937 1.00 34.31 H new ATOM 0 HB3 ASP A 67 -32.176 -12.024 -52.302 1.00 34.31 H new ATOM 716 N SER A 68 -32.641 -10.288 -49.215 1.00 53.51 N ATOM 717 CA SER A 68 -33.472 -9.125 -48.925 1.00 35.11 C ATOM 718 C SER A 68 -32.699 -8.095 -48.107 1.00 53.13 C ATOM 719 O SER A 68 -33.289 -7.241 -47.445 1.00 2.21 O ATOM 720 CB SER A 68 -34.734 -9.549 -48.170 1.00 61.23 C ATOM 721 OG SER A 68 -35.774 -8.602 -48.342 1.00 5.43 O ATOM 0 H SER A 68 -32.688 -11.026 -48.513 1.00 53.51 H new ATOM 0 HA SER A 68 -33.759 -8.669 -49.873 1.00 35.11 H new ATOM 0 HB2 SER A 68 -35.064 -10.525 -48.526 1.00 61.23 H new ATOM 0 HB3 SER A 68 -34.508 -9.657 -47.109 1.00 61.23 H new ATOM 0 HG SER A 68 -35.436 -7.705 -48.140 1.00 5.43 H new ATOM 727 N LYS A 69 -31.374 -8.182 -48.159 1.00 14.33 N ATOM 728 CA LYS A 69 -30.518 -7.258 -47.425 1.00 44.10 C ATOM 729 C LYS A 69 -30.907 -5.811 -47.711 1.00 21.01 C ATOM 730 O LYS A 69 -31.512 -5.513 -48.741 1.00 22.01 O ATOM 731 CB LYS A 69 -29.051 -7.485 -47.797 1.00 63.52 C ATOM 732 CG LYS A 69 -28.810 -7.574 -49.294 1.00 43.32 C ATOM 733 CD LYS A 69 -27.811 -8.667 -49.635 1.00 21.02 C ATOM 734 CE LYS A 69 -27.663 -8.838 -51.139 1.00 31.21 C ATOM 735 NZ LYS A 69 -28.005 -10.220 -51.576 1.00 52.01 N1+ ATOM 0 H LYS A 69 -30.870 -8.883 -48.702 1.00 14.33 H new ATOM 0 HA LYS A 69 -30.651 -7.448 -46.360 1.00 44.10 H new ATOM 0 HB2 LYS A 69 -28.451 -6.672 -47.389 1.00 63.52 H new ATOM 0 HB3 LYS A 69 -28.704 -8.405 -47.326 1.00 63.52 H new ATOM 0 HG2 LYS A 69 -29.753 -7.770 -49.804 1.00 43.32 H new ATOM 0 HG3 LYS A 69 -28.442 -6.616 -49.662 1.00 43.32 H new ATOM 0 HD2 LYS A 69 -26.842 -8.425 -49.198 1.00 21.02 H new ATOM 0 HD3 LYS A 69 -28.134 -9.608 -49.191 1.00 21.02 H new ATOM 0 HE2 LYS A 69 -28.309 -8.125 -51.651 1.00 31.21 H new ATOM 0 HE3 LYS A 69 -26.639 -8.607 -51.432 1.00 31.21 H new ATOM 0 HZ1 LYS A 69 -27.237 -10.597 -52.167 1.00 52.01 H new ATOM 0 HZ2 LYS A 69 -28.129 -10.827 -50.741 1.00 52.01 H new ATOM 0 HZ3 LYS A 69 -28.888 -10.202 -52.125 1.00 52.01 H new ATOM 749 N ASP A 70 -30.555 -4.916 -46.794 1.00 32.40 N ATOM 750 CA ASP A 70 -30.866 -3.500 -46.949 1.00 63.01 C ATOM 751 C ASP A 70 -29.854 -2.637 -46.202 1.00 45.13 C ATOM 752 O ASP A 70 -28.884 -3.145 -45.641 1.00 71.30 O ATOM 753 CB ASP A 70 -32.278 -3.207 -46.441 1.00 31.05 C ATOM 754 CG ASP A 70 -33.347 -3.872 -47.285 1.00 31.52 C ATOM 755 OD1 ASP A 70 -33.397 -3.600 -48.503 1.00 24.22 O ATOM 756 OD2 ASP A 70 -34.134 -4.666 -46.728 1.00 24.23 O ATOM 0 H ASP A 70 -30.054 -5.146 -45.936 1.00 32.40 H new ATOM 0 HA ASP A 70 -30.813 -3.256 -48.010 1.00 63.01 H new ATOM 0 HB2 ASP A 70 -32.368 -3.549 -45.410 1.00 31.05 H new ATOM 0 HB3 ASP A 70 -32.442 -2.129 -46.435 1.00 31.05 H new ATOM 761 N ASN A 71 -30.086 -1.328 -46.201 1.00 61.34 N ATOM 762 CA ASN A 71 -29.193 -0.394 -45.525 1.00 53.02 C ATOM 763 C ASN A 71 -29.548 -0.277 -44.046 1.00 2.11 C ATOM 764 O ASN A 71 -29.086 0.633 -43.355 1.00 62.44 O ATOM 765 CB ASN A 71 -29.265 0.983 -46.189 1.00 24.23 C ATOM 766 CG ASN A 71 -28.019 1.811 -45.938 1.00 20.31 C ATOM 767 OD1 ASN A 71 -27.271 1.557 -44.994 1.00 20.44 O ATOM 768 ND2 ASN A 71 -27.791 2.808 -46.785 1.00 20.22 N ATOM 0 H ASN A 71 -30.885 -0.890 -46.661 1.00 61.34 H new ATOM 0 HA ASN A 71 -28.176 -0.777 -45.607 1.00 53.02 H new ATOM 0 HB2 ASN A 71 -29.405 0.859 -47.263 1.00 24.23 H new ATOM 0 HB3 ASN A 71 -30.136 1.519 -45.814 1.00 24.23 H new ATOM 0 HD21 ASN A 71 -26.969 3.400 -46.667 1.00 20.22 H new ATOM 0 HD22 ASN A 71 -28.438 2.982 -47.554 1.00 20.22 H new ATOM 775 N LEU A 72 -30.370 -1.203 -43.565 1.00 60.02 N ATOM 776 CA LEU A 72 -30.787 -1.205 -42.167 1.00 64.02 C ATOM 777 C LEU A 72 -29.582 -1.076 -41.240 1.00 34.31 C ATOM 778 O LEU A 72 -28.445 -1.314 -41.647 1.00 1.23 O ATOM 779 CB LEU A 72 -31.557 -2.487 -41.846 1.00 52.20 C ATOM 780 CG LEU A 72 -33.068 -2.335 -41.669 1.00 14.14 C ATOM 781 CD1 LEU A 72 -33.380 -1.487 -40.445 1.00 24.20 C ATOM 782 CD2 LEU A 72 -33.693 -1.725 -42.915 1.00 71.01 C ATOM 0 H LEU A 72 -30.761 -1.962 -44.123 1.00 60.02 H new ATOM 0 HA LEU A 72 -31.440 -0.347 -42.006 1.00 64.02 H new ATOM 0 HB2 LEU A 72 -31.375 -3.206 -42.645 1.00 52.20 H new ATOM 0 HB3 LEU A 72 -31.145 -2.915 -40.932 1.00 52.20 H new ATOM 0 HG LEU A 72 -33.498 -3.325 -41.519 1.00 14.14 H new ATOM 0 HD11 LEU A 72 -34.460 -1.390 -40.335 1.00 24.20 H new ATOM 0 HD12 LEU A 72 -32.967 -1.964 -39.557 1.00 24.20 H new ATOM 0 HD13 LEU A 72 -32.937 -0.498 -40.565 1.00 24.20 H new ATOM 0 HD21 LEU A 72 -34.769 -1.624 -42.771 1.00 71.01 H new ATOM 0 HD22 LEU A 72 -33.258 -0.742 -43.096 1.00 71.01 H new ATOM 0 HD23 LEU A 72 -33.501 -2.371 -43.772 1.00 71.01 H new ATOM 794 N ASP A 73 -29.841 -0.701 -39.992 1.00 63.11 N ATOM 795 CA ASP A 73 -28.778 -0.544 -39.005 1.00 74.14 C ATOM 796 C ASP A 73 -28.720 -1.750 -38.073 1.00 13.11 C ATOM 797 O ASP A 73 -29.650 -2.554 -38.023 1.00 20.11 O ATOM 798 CB ASP A 73 -28.992 0.734 -38.193 1.00 52.45 C ATOM 799 CG ASP A 73 -30.087 0.585 -37.155 1.00 61.34 C ATOM 800 OD1 ASP A 73 -31.065 -0.145 -37.425 1.00 5.35 O ATOM 801 OD2 ASP A 73 -29.966 1.196 -36.074 1.00 3.24 O ATOM 0 H ASP A 73 -30.777 -0.500 -39.640 1.00 63.11 H new ATOM 0 HA ASP A 73 -27.829 -0.473 -39.537 1.00 74.14 H new ATOM 0 HB2 ASP A 73 -28.060 1.006 -37.697 1.00 52.45 H new ATOM 0 HB3 ASP A 73 -29.244 1.552 -38.868 1.00 52.45 H new ATOM 806 N GLY A 74 -27.620 -1.869 -37.336 1.00 32.43 N ATOM 807 CA GLY A 74 -27.461 -2.980 -36.416 1.00 24.42 C ATOM 808 C GLY A 74 -27.186 -2.523 -34.997 1.00 24.51 C ATOM 809 O GLY A 74 -26.937 -1.342 -34.753 1.00 75.05 O ATOM 0 H GLY A 74 -26.837 -1.216 -37.360 1.00 32.43 H new ATOM 0 HA2 GLY A 74 -28.364 -3.591 -36.429 1.00 24.42 H new ATOM 0 HA3 GLY A 74 -26.642 -3.614 -36.755 1.00 24.42 H new ATOM 813 N THR A 75 -27.231 -3.461 -34.055 1.00 61.14 N ATOM 814 CA THR A 75 -26.988 -3.148 -32.653 1.00 24.40 C ATOM 815 C THR A 75 -25.521 -3.350 -32.291 1.00 45.12 C ATOM 816 O THR A 75 -24.737 -3.861 -33.092 1.00 75.52 O ATOM 817 CB THR A 75 -27.857 -4.017 -31.725 1.00 14.24 C ATOM 818 OG1 THR A 75 -28.988 -4.523 -32.444 1.00 3.51 O ATOM 819 CG2 THR A 75 -28.332 -3.215 -30.522 1.00 74.31 C ATOM 0 H THR A 75 -27.434 -4.444 -34.239 1.00 61.14 H new ATOM 0 HA THR A 75 -27.254 -2.100 -32.513 1.00 24.40 H new ATOM 0 HB THR A 75 -27.250 -4.850 -31.370 1.00 14.24 H new ATOM 0 HG1 THR A 75 -29.534 -5.076 -31.847 1.00 3.51 H new ATOM 0 HG21 THR A 75 -28.944 -3.849 -29.881 1.00 74.31 H new ATOM 0 HG22 THR A 75 -27.469 -2.856 -29.961 1.00 74.31 H new ATOM 0 HG23 THR A 75 -28.923 -2.365 -30.862 1.00 74.31 H new ATOM 827 N CYS A 76 -25.154 -2.946 -31.080 1.00 3.53 N ATOM 828 CA CYS A 76 -23.780 -3.082 -30.611 1.00 11.22 C ATOM 829 C CYS A 76 -23.725 -3.885 -29.314 1.00 40.15 C ATOM 830 O CYS A 76 -24.578 -3.732 -28.440 1.00 75.13 O ATOM 831 CB CYS A 76 -23.153 -1.703 -30.396 1.00 52.33 C ATOM 832 SG CYS A 76 -21.678 -1.390 -31.418 1.00 2.41 S ATOM 0 H CYS A 76 -25.790 -2.521 -30.405 1.00 3.53 H new ATOM 0 HA CYS A 76 -23.214 -3.616 -31.374 1.00 11.22 H new ATOM 0 HB2 CYS A 76 -23.900 -0.939 -30.611 1.00 52.33 H new ATOM 0 HB3 CYS A 76 -22.883 -1.598 -29.345 1.00 52.33 H new ATOM 837 N TYR A 77 -22.715 -4.740 -29.198 1.00 34.23 N ATOM 838 CA TYR A 77 -22.549 -5.569 -28.010 1.00 35.23 C ATOM 839 C TYR A 77 -21.096 -5.572 -27.546 1.00 61.54 C ATOM 840 O TYR A 77 -20.174 -5.694 -28.354 1.00 73.45 O ATOM 841 CB TYR A 77 -23.009 -7.000 -28.293 1.00 35.35 C ATOM 842 CG TYR A 77 -22.028 -7.799 -29.120 1.00 32.41 C ATOM 843 CD1 TYR A 77 -20.994 -8.505 -28.517 1.00 34.43 C ATOM 844 CD2 TYR A 77 -22.134 -7.848 -30.504 1.00 41.13 C ATOM 845 CE1 TYR A 77 -20.095 -9.236 -29.268 1.00 61.45 C ATOM 846 CE2 TYR A 77 -21.240 -8.577 -31.264 1.00 20.42 C ATOM 847 CZ TYR A 77 -20.222 -9.270 -30.641 1.00 52.35 C ATOM 848 OH TYR A 77 -19.329 -9.996 -31.395 1.00 22.43 O ATOM 0 H TYR A 77 -21.999 -4.877 -29.912 1.00 34.23 H new ATOM 0 HA TYR A 77 -23.164 -5.147 -27.215 1.00 35.23 H new ATOM 0 HB2 TYR A 77 -23.175 -7.513 -27.346 1.00 35.35 H new ATOM 0 HB3 TYR A 77 -23.967 -6.969 -28.811 1.00 35.35 H new ATOM 0 HD1 TYR A 77 -20.892 -8.481 -27.442 1.00 34.43 H new ATOM 0 HD2 TYR A 77 -22.929 -7.307 -30.995 1.00 41.13 H new ATOM 0 HE1 TYR A 77 -19.297 -9.778 -28.783 1.00 61.45 H new ATOM 0 HE2 TYR A 77 -21.337 -8.604 -32.339 1.00 20.42 H new ATOM 0 HH TYR A 77 -19.773 -10.319 -32.207 1.00 22.43 H new ATOM 858 N LEU A 78 -20.898 -5.438 -26.240 1.00 33.34 N ATOM 859 CA LEU A 78 -19.557 -5.426 -25.666 1.00 31.31 C ATOM 860 C LEU A 78 -18.923 -6.812 -25.735 1.00 43.23 C ATOM 861 O LEU A 78 -19.593 -7.824 -25.527 1.00 63.32 O ATOM 862 CB LEU A 78 -19.606 -4.948 -24.214 1.00 14.41 C ATOM 863 CG LEU A 78 -18.368 -5.244 -23.367 1.00 35.52 C ATOM 864 CD1 LEU A 78 -18.017 -4.048 -22.497 1.00 15.43 C ATOM 865 CD2 LEU A 78 -18.593 -6.482 -22.510 1.00 2.22 C ATOM 0 H LEU A 78 -21.649 -5.336 -25.558 1.00 33.34 H new ATOM 0 HA LEU A 78 -18.946 -4.737 -26.249 1.00 31.31 H new ATOM 0 HB2 LEU A 78 -19.773 -3.871 -24.213 1.00 14.41 H new ATOM 0 HB3 LEU A 78 -20.470 -5.405 -23.731 1.00 14.41 H new ATOM 0 HG LEU A 78 -17.530 -5.437 -24.037 1.00 35.52 H new ATOM 0 HD11 LEU A 78 -17.133 -4.278 -21.902 1.00 15.43 H new ATOM 0 HD12 LEU A 78 -17.813 -3.185 -23.130 1.00 15.43 H new ATOM 0 HD13 LEU A 78 -18.852 -3.823 -21.834 1.00 15.43 H new ATOM 0 HD21 LEU A 78 -17.702 -6.678 -21.913 1.00 2.22 H new ATOM 0 HD22 LEU A 78 -19.443 -6.317 -21.849 1.00 2.22 H new ATOM 0 HD23 LEU A 78 -18.795 -7.338 -23.154 1.00 2.22 H new ATOM 877 N LEU A 79 -17.627 -6.850 -26.027 1.00 13.53 N ATOM 878 CA LEU A 79 -16.901 -8.111 -26.121 1.00 62.12 C ATOM 879 C LEU A 79 -16.597 -8.670 -24.735 1.00 1.43 C ATOM 880 O LEU A 79 -15.908 -8.035 -23.937 1.00 23.24 O ATOM 881 CB LEU A 79 -15.600 -7.916 -26.901 1.00 45.33 C ATOM 882 CG LEU A 79 -15.667 -8.204 -28.401 1.00 64.04 C ATOM 883 CD1 LEU A 79 -16.059 -9.652 -28.650 1.00 31.13 C ATOM 884 CD2 LEU A 79 -16.646 -7.260 -29.083 1.00 12.43 C ATOM 0 H LEU A 79 -17.058 -6.022 -26.203 1.00 13.53 H new ATOM 0 HA LEU A 79 -17.531 -8.826 -26.650 1.00 62.12 H new ATOM 0 HB2 LEU A 79 -15.268 -6.887 -26.763 1.00 45.33 H new ATOM 0 HB3 LEU A 79 -14.837 -8.558 -26.462 1.00 45.33 H new ATOM 0 HG LEU A 79 -14.677 -8.039 -28.827 1.00 64.04 H new ATOM 0 HD11 LEU A 79 -16.102 -9.838 -29.723 1.00 31.13 H new ATOM 0 HD12 LEU A 79 -15.320 -10.312 -28.196 1.00 31.13 H new ATOM 0 HD13 LEU A 79 -17.037 -9.845 -28.209 1.00 31.13 H new ATOM 0 HD21 LEU A 79 -16.680 -7.480 -30.150 1.00 12.43 H new ATOM 0 HD22 LEU A 79 -17.639 -7.393 -28.653 1.00 12.43 H new ATOM 0 HD23 LEU A 79 -16.321 -6.230 -28.935 1.00 12.43 H new ATOM 896 N ALA A 80 -17.114 -9.862 -24.456 1.00 53.42 N ATOM 897 CA ALA A 80 -16.895 -10.508 -23.168 1.00 43.41 C ATOM 898 C ALA A 80 -15.646 -11.382 -23.198 1.00 42.12 C ATOM 899 O ALA A 80 -14.938 -11.507 -22.198 1.00 70.22 O ATOM 900 CB ALA A 80 -18.111 -11.335 -22.778 1.00 40.53 C ATOM 0 H ALA A 80 -17.688 -10.400 -25.105 1.00 53.42 H new ATOM 0 HA ALA A 80 -16.744 -9.729 -22.420 1.00 43.41 H new ATOM 0 HB1 ALA A 80 -17.933 -11.812 -21.814 1.00 40.53 H new ATOM 0 HB2 ALA A 80 -18.984 -10.687 -22.706 1.00 40.53 H new ATOM 0 HB3 ALA A 80 -18.288 -12.100 -23.534 1.00 40.53 H new ATOM 906 N THR A 81 -15.380 -11.987 -24.352 1.00 2.40 N ATOM 907 CA THR A 81 -14.217 -12.851 -24.512 1.00 13.03 C ATOM 908 C THR A 81 -12.923 -12.078 -24.288 1.00 24.12 C ATOM 909 O THR A 81 -12.761 -10.960 -24.779 1.00 31.30 O ATOM 910 CB THR A 81 -14.183 -13.493 -25.911 1.00 61.33 C ATOM 911 OG1 THR A 81 -12.978 -14.250 -26.074 1.00 10.32 O ATOM 912 CG2 THR A 81 -14.271 -12.431 -26.997 1.00 0.14 C ATOM 0 H THR A 81 -15.955 -11.894 -25.190 1.00 2.40 H new ATOM 0 HA THR A 81 -14.301 -13.637 -23.762 1.00 13.03 H new ATOM 0 HB THR A 81 -15.043 -14.156 -26.003 1.00 61.33 H new ATOM 0 HG1 THR A 81 -12.965 -14.656 -26.966 1.00 10.32 H new ATOM 0 HG21 THR A 81 -14.245 -12.909 -27.976 1.00 0.14 H new ATOM 0 HG22 THR A 81 -15.203 -11.876 -26.889 1.00 0.14 H new ATOM 0 HG23 THR A 81 -13.428 -11.746 -26.905 1.00 0.14 H new ATOM 920 N THR A 82 -12.000 -12.680 -23.543 1.00 74.33 N ATOM 921 CA THR A 82 -10.719 -12.048 -23.254 1.00 34.21 C ATOM 922 C THR A 82 -9.698 -12.353 -24.343 1.00 44.33 C ATOM 923 O THR A 82 -9.539 -13.494 -24.778 1.00 52.42 O ATOM 924 CB THR A 82 -10.159 -12.511 -21.896 1.00 64.10 C ATOM 925 OG1 THR A 82 -11.089 -12.205 -20.852 1.00 33.23 O ATOM 926 CG2 THR A 82 -8.824 -11.841 -21.605 1.00 70.51 C ATOM 0 H THR A 82 -12.117 -13.605 -23.129 1.00 74.33 H new ATOM 0 HA THR A 82 -10.897 -10.973 -23.218 1.00 34.21 H new ATOM 0 HB THR A 82 -10.005 -13.589 -21.940 1.00 64.10 H new ATOM 0 HG1 THR A 82 -10.726 -12.504 -19.992 1.00 33.23 H new ATOM 0 HG21 THR A 82 -8.448 -12.183 -20.641 1.00 70.51 H new ATOM 0 HG22 THR A 82 -8.109 -12.100 -22.386 1.00 70.51 H new ATOM 0 HG23 THR A 82 -8.958 -10.760 -21.579 1.00 70.51 H new ATOM 934 N PRO A 83 -8.986 -11.310 -24.796 1.00 44.01 N ATOM 935 CA PRO A 83 -7.965 -11.442 -25.840 1.00 51.21 C ATOM 936 C PRO A 83 -6.733 -12.198 -25.354 1.00 51.44 C ATOM 937 O PRO A 83 -6.208 -11.922 -24.275 1.00 72.32 O ATOM 938 CB PRO A 83 -7.606 -9.991 -26.171 1.00 14.23 C ATOM 939 CG PRO A 83 -7.936 -9.228 -24.934 1.00 40.02 C ATOM 940 CD PRO A 83 -9.122 -9.922 -24.323 1.00 63.11 C ATOM 0 HA PRO A 83 -8.328 -12.011 -26.696 1.00 51.21 H new ATOM 0 HB2 PRO A 83 -6.551 -9.893 -26.427 1.00 14.23 H new ATOM 0 HB3 PRO A 83 -8.177 -9.627 -27.025 1.00 14.23 H new ATOM 0 HG2 PRO A 83 -7.092 -9.218 -24.245 1.00 40.02 H new ATOM 0 HG3 PRO A 83 -8.169 -8.189 -25.167 1.00 40.02 H new ATOM 0 HD2 PRO A 83 -9.104 -9.865 -23.235 1.00 63.11 H new ATOM 0 HD3 PRO A 83 -10.061 -9.476 -24.650 1.00 63.11 H new ATOM 948 N LYS A 84 -6.275 -13.152 -26.158 1.00 11.33 N ATOM 949 CA LYS A 84 -5.103 -13.947 -25.811 1.00 72.14 C ATOM 950 C LYS A 84 -3.844 -13.367 -26.448 1.00 54.01 C ATOM 951 O LYS A 84 -2.815 -14.037 -26.533 1.00 0.44 O ATOM 952 CB LYS A 84 -5.294 -15.397 -26.262 1.00 61.04 C ATOM 953 CG LYS A 84 -6.100 -16.237 -25.286 1.00 42.44 C ATOM 954 CD LYS A 84 -6.932 -17.284 -26.007 1.00 15.31 C ATOM 955 CE LYS A 84 -6.056 -18.255 -26.783 1.00 34.44 C ATOM 956 NZ LYS A 84 -6.788 -19.504 -27.132 1.00 31.51 N1+ ATOM 0 H LYS A 84 -6.698 -13.393 -27.054 1.00 11.33 H new ATOM 0 HA LYS A 84 -4.985 -13.922 -24.728 1.00 72.14 H new ATOM 0 HB2 LYS A 84 -5.792 -15.404 -27.232 1.00 61.04 H new ATOM 0 HB3 LYS A 84 -4.316 -15.857 -26.402 1.00 61.04 H new ATOM 0 HG2 LYS A 84 -5.426 -16.727 -24.583 1.00 42.44 H new ATOM 0 HG3 LYS A 84 -6.754 -15.590 -24.702 1.00 42.44 H new ATOM 0 HD2 LYS A 84 -7.534 -17.834 -25.283 1.00 15.31 H new ATOM 0 HD3 LYS A 84 -7.625 -16.792 -26.690 1.00 15.31 H new ATOM 0 HE2 LYS A 84 -5.701 -17.775 -27.695 1.00 34.44 H new ATOM 0 HE3 LYS A 84 -5.176 -18.503 -26.190 1.00 34.44 H new ATOM 0 HZ1 LYS A 84 -6.157 -20.140 -27.660 1.00 31.51 H new ATOM 0 HZ2 LYS A 84 -7.105 -19.976 -26.261 1.00 31.51 H new ATOM 0 HZ3 LYS A 84 -7.614 -19.270 -27.719 1.00 31.51 H new ATOM 970 N SER A 85 -3.934 -12.118 -26.893 1.00 44.32 N ATOM 971 CA SER A 85 -2.802 -11.448 -27.524 1.00 71.43 C ATOM 972 C SER A 85 -2.446 -10.165 -26.780 1.00 21.21 C ATOM 973 O SER A 85 -3.312 -9.338 -26.494 1.00 11.14 O ATOM 974 CB SER A 85 -3.121 -11.131 -28.987 1.00 22.53 C ATOM 975 OG SER A 85 -2.728 -12.195 -29.836 1.00 63.24 O ATOM 0 H SER A 85 -4.778 -11.549 -26.829 1.00 44.32 H new ATOM 0 HA SER A 85 -1.945 -12.120 -27.483 1.00 71.43 H new ATOM 0 HB2 SER A 85 -4.190 -10.948 -29.098 1.00 22.53 H new ATOM 0 HB3 SER A 85 -2.609 -10.216 -29.284 1.00 22.53 H new ATOM 0 HG SER A 85 -2.944 -11.969 -30.765 1.00 63.24 H new ATOM 981 N THR A 86 -1.163 -10.006 -26.469 1.00 13.35 N ATOM 982 CA THR A 86 -0.691 -8.825 -25.757 1.00 22.04 C ATOM 983 C THR A 86 -0.106 -7.799 -26.721 1.00 15.13 C ATOM 984 O THR A 86 -0.126 -6.597 -26.452 1.00 61.12 O ATOM 985 CB THR A 86 0.375 -9.191 -24.707 1.00 21.34 C ATOM 986 OG1 THR A 86 1.407 -9.979 -25.311 1.00 4.35 O ATOM 987 CG2 THR A 86 -0.246 -9.961 -23.551 1.00 10.34 C ATOM 0 H THR A 86 -0.433 -10.680 -26.699 1.00 13.35 H new ATOM 0 HA THR A 86 -1.556 -8.394 -25.252 1.00 22.04 H new ATOM 0 HB THR A 86 0.803 -8.267 -24.319 1.00 21.34 H new ATOM 0 HG1 THR A 86 2.082 -10.206 -24.637 1.00 4.35 H new ATOM 0 HG21 THR A 86 0.526 -10.208 -22.822 1.00 10.34 H new ATOM 0 HG22 THR A 86 -1.011 -9.348 -23.075 1.00 10.34 H new ATOM 0 HG23 THR A 86 -0.698 -10.879 -23.926 1.00 10.34 H new ATOM 995 N THR A 87 0.413 -8.280 -27.846 1.00 41.50 N ATOM 996 CA THR A 87 1.004 -7.404 -28.850 1.00 54.13 C ATOM 997 C THR A 87 -0.057 -6.872 -29.808 1.00 24.11 C ATOM 998 O THR A 87 -0.770 -7.642 -30.451 1.00 73.43 O ATOM 999 CB THR A 87 2.092 -8.132 -29.661 1.00 21.51 C ATOM 1000 OG1 THR A 87 2.600 -7.270 -30.685 1.00 71.11 O ATOM 1001 CG2 THR A 87 1.540 -9.403 -30.289 1.00 33.33 C ATOM 0 H THR A 87 0.436 -9.271 -28.085 1.00 41.50 H new ATOM 0 HA THR A 87 1.458 -6.570 -28.314 1.00 54.13 H new ATOM 0 HB THR A 87 2.900 -8.403 -28.981 1.00 21.51 H new ATOM 0 HG1 THR A 87 3.292 -7.740 -31.195 1.00 71.11 H new ATOM 0 HG21 THR A 87 2.327 -9.900 -30.857 1.00 33.33 H new ATOM 0 HG22 THR A 87 1.182 -10.070 -29.505 1.00 33.33 H new ATOM 0 HG23 THR A 87 0.715 -9.151 -30.956 1.00 33.33 H new ATOM 1009 N THR A 88 -0.155 -5.549 -29.899 1.00 72.42 N ATOM 1010 CA THR A 88 -1.129 -4.914 -30.778 1.00 61.42 C ATOM 1011 C THR A 88 -0.584 -3.612 -31.353 1.00 65.22 C ATOM 1012 O THR A 88 0.115 -2.864 -30.669 1.00 64.11 O ATOM 1013 CB THR A 88 -2.448 -4.623 -30.038 1.00 1.20 C ATOM 1014 OG1 THR A 88 -3.316 -3.847 -30.872 1.00 34.44 O ATOM 1015 CG2 THR A 88 -2.186 -3.877 -28.738 1.00 64.41 C ATOM 0 H THR A 88 0.428 -4.897 -29.375 1.00 72.42 H new ATOM 0 HA THR A 88 -1.324 -5.613 -31.591 1.00 61.42 H new ATOM 0 HB THR A 88 -2.925 -5.575 -29.803 1.00 1.20 H new ATOM 0 HG1 THR A 88 -4.153 -3.667 -30.395 1.00 34.44 H new ATOM 0 HG21 THR A 88 -3.132 -3.683 -28.233 1.00 64.41 H new ATOM 0 HG22 THR A 88 -1.548 -4.482 -28.093 1.00 64.41 H new ATOM 0 HG23 THR A 88 -1.690 -2.931 -28.955 1.00 64.41 H new TER 1023 THR A 88