USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 440 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 11 GLN : amide:sc= 0.68 K(o=0.92,f=-4.5!) USER MOD Set 1.2: A 49 THR OG1 : rot 160:sc= 0.24 USER MOD Set 2.1: A 22 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.545 K(o=0.54,f=-3.4!) USER MOD Single : A 12 MET CE :methyl -137:sc= 0 (180deg=-0.000983) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl -144:sc= 0 (180deg=-0.279) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.00536 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 27:sc= 1.22 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 167:sc= 0.85 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 58 SER OG : rot 129:sc= 1.3 USER MOD Single : A 61 THR OG1 : rot 178:sc= 0.885 USER MOD Single : A 63 GLN : amide:sc= 0.56 K(o=0.56,f=0) USER MOD Single : A 72 THR OG1 : rot 47:sc= 0.00213 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 7 -5.952 -5.141 -14.716 1.00 0.00 N ATOM 14 CA LEU A 7 -5.166 -5.051 -13.488 1.00 0.00 C ATOM 15 C LEU A 7 -3.691 -5.394 -13.720 1.00 0.00 C ATOM 16 O LEU A 7 -3.353 -6.178 -14.609 1.00 0.00 O ATOM 17 CB LEU A 7 -5.813 -5.898 -12.374 1.00 0.00 C ATOM 18 CG LEU A 7 -5.578 -7.425 -12.406 1.00 0.00 C ATOM 19 CD1 LEU A 7 -6.319 -8.028 -11.207 1.00 0.00 C ATOM 20 CD2 LEU A 7 -6.049 -8.126 -13.686 1.00 0.00 C ATOM 0 HA LEU A 7 -5.172 -4.014 -13.153 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.453 -5.523 -11.416 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.889 -5.723 -12.401 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.500 -7.582 -12.370 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.176 -9.108 -11.197 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.926 -7.601 -10.284 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.383 -7.804 -11.287 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.841 -9.194 -13.614 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.121 -7.972 -13.812 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.520 -7.711 -14.544 1.00 0.00 H new ATOM 31 N LYS A 8 -2.812 -4.827 -12.893 1.00 0.00 N ATOM 32 CA LYS A 8 -1.357 -4.974 -13.019 1.00 0.00 C ATOM 33 C LYS A 8 -0.615 -4.649 -11.714 1.00 0.00 C ATOM 34 O LYS A 8 -1.090 -3.823 -10.920 1.00 0.00 O ATOM 35 CB LYS A 8 -0.843 -4.109 -14.187 1.00 0.00 C ATOM 36 CG LYS A 8 -1.008 -2.598 -13.956 1.00 0.00 C ATOM 37 CD LYS A 8 -0.409 -1.810 -15.121 1.00 0.00 C ATOM 38 CE LYS A 8 -0.463 -0.309 -14.821 1.00 0.00 C ATOM 39 NZ LYS A 8 0.308 0.450 -15.833 1.00 0.00 N ATOM 0 H LYS A 8 -3.092 -4.244 -12.105 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.147 -6.022 -13.233 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.211 -4.329 -14.354 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.375 -4.389 -15.096 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.065 -2.354 -13.849 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.519 -2.311 -13.025 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.623 -2.119 -15.287 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.958 -2.026 -16.037 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.499 0.030 -14.815 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.059 -0.116 -13.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.261 1.466 -15.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.300 0.138 -15.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.095 0.279 -16.776 1.00 0.00 H new ATOM 49 N THR A 9 0.551 -5.277 -11.509 1.00 0.00 N ATOM 50 CA THR A 9 1.428 -5.022 -10.359 1.00 0.00 C ATOM 51 C THR A 9 2.086 -3.647 -10.453 1.00 0.00 C ATOM 52 O THR A 9 2.295 -3.116 -11.546 1.00 0.00 O ATOM 53 CB THR A 9 2.431 -6.165 -10.153 1.00 0.00 C ATOM 54 OG1 THR A 9 2.867 -6.112 -8.817 1.00 0.00 O ATOM 55 CG2 THR A 9 3.660 -6.109 -11.062 1.00 0.00 C ATOM 0 H THR A 9 0.916 -5.985 -12.146 1.00 0.00 H new ATOM 0 HA THR A 9 0.812 -4.999 -9.460 1.00 0.00 H new ATOM 0 HB THR A 9 1.912 -7.090 -10.403 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.510 -6.834 -8.654 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.312 -6.955 -10.845 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.344 -6.152 -12.104 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.201 -5.180 -10.885 1.00 0.00 H new ATOM 63 N GLN A 10 2.396 -3.083 -9.292 1.00 0.00 N ATOM 64 CA GLN A 10 2.987 -1.768 -9.080 1.00 0.00 C ATOM 65 C GLN A 10 3.699 -1.810 -7.728 1.00 0.00 C ATOM 66 O GLN A 10 3.152 -2.341 -6.757 1.00 0.00 O ATOM 67 CB GLN A 10 1.871 -0.698 -9.103 1.00 0.00 C ATOM 68 CG GLN A 10 2.240 0.733 -8.642 1.00 0.00 C ATOM 69 CD GLN A 10 3.233 1.478 -9.540 1.00 0.00 C ATOM 70 OE1 GLN A 10 3.968 0.895 -10.329 1.00 0.00 O ATOM 71 NE2 GLN A 10 3.300 2.790 -9.486 1.00 0.00 N ATOM 0 H GLN A 10 2.229 -3.568 -8.410 1.00 0.00 H new ATOM 0 HA GLN A 10 3.701 -1.511 -9.862 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.488 -0.634 -10.121 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.053 -1.052 -8.476 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.325 1.322 -8.574 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.657 0.676 -7.637 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.702 3.305 -8.840 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.950 3.293 -10.090 1.00 0.00 H new ATOM 78 N GLN A 11 4.901 -1.236 -7.651 1.00 0.00 N ATOM 79 CA GLN A 11 5.617 -1.018 -6.398 1.00 0.00 C ATOM 80 C GLN A 11 5.606 0.474 -6.039 1.00 0.00 C ATOM 81 O GLN A 11 5.678 1.338 -6.912 1.00 0.00 O ATOM 82 CB GLN A 11 7.042 -1.592 -6.502 1.00 0.00 C ATOM 83 CG GLN A 11 7.785 -1.527 -5.155 1.00 0.00 C ATOM 84 CD GLN A 11 9.128 -2.243 -5.177 1.00 0.00 C ATOM 85 OE1 GLN A 11 10.176 -1.620 -5.304 1.00 0.00 O ATOM 86 NE2 GLN A 11 9.154 -3.549 -5.022 1.00 0.00 N ATOM 0 H GLN A 11 5.410 -0.906 -8.471 1.00 0.00 H new ATOM 0 HA GLN A 11 5.116 -1.546 -5.587 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.993 -2.627 -6.840 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.603 -1.037 -7.254 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.941 -0.483 -4.883 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.158 -1.968 -4.380 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.282 -4.067 -4.916 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.046 -4.043 -5.007 1.00 0.00 H new ATOM 93 N MET A 12 5.558 0.767 -4.740 1.00 0.00 N ATOM 94 CA MET A 12 5.625 2.098 -4.136 1.00 0.00 C ATOM 95 C MET A 12 6.640 2.109 -2.985 1.00 0.00 C ATOM 96 O MET A 12 7.014 1.055 -2.462 1.00 0.00 O ATOM 97 CB MET A 12 4.222 2.495 -3.640 1.00 0.00 C ATOM 98 CG MET A 12 3.756 1.656 -2.443 1.00 0.00 C ATOM 99 SD MET A 12 2.052 1.942 -1.921 1.00 0.00 S ATOM 100 CE MET A 12 1.185 0.986 -3.187 1.00 0.00 C ATOM 0 H MET A 12 5.465 0.035 -4.036 1.00 0.00 H new ATOM 0 HA MET A 12 5.957 2.824 -4.878 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.225 3.549 -3.360 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.508 2.384 -4.456 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.870 0.601 -2.693 1.00 0.00 H new ATOM 0 HG3 MET A 12 4.416 1.857 -1.599 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.322 1.550 -3.541 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.859 0.792 -4.021 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.850 0.039 -2.763 1.00 0.00 H new ATOM 108 N GLN A 13 7.040 3.301 -2.554 1.00 0.00 N ATOM 109 CA GLN A 13 7.734 3.521 -1.283 1.00 0.00 C ATOM 110 C GLN A 13 6.712 3.980 -0.213 1.00 0.00 C ATOM 111 O GLN A 13 5.523 4.111 -0.516 1.00 0.00 O ATOM 112 CB GLN A 13 8.904 4.498 -1.513 1.00 0.00 C ATOM 113 CG GLN A 13 9.970 3.942 -2.478 1.00 0.00 C ATOM 114 CD GLN A 13 11.115 4.920 -2.728 1.00 0.00 C ATOM 115 OE1 GLN A 13 11.282 5.453 -3.821 1.00 0.00 O ATOM 116 NE2 GLN A 13 11.954 5.180 -1.752 1.00 0.00 N ATOM 0 H GLN A 13 6.890 4.159 -3.085 1.00 0.00 H new ATOM 0 HA GLN A 13 8.176 2.602 -0.898 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.515 5.435 -1.911 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.372 4.728 -0.556 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.373 3.015 -2.070 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.498 3.693 -3.428 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.826 4.743 -0.839 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.734 5.819 -1.907 1.00 0.00 H new ATOM 123 N VAL A 14 7.135 4.213 1.034 1.00 0.00 N ATOM 124 CA VAL A 14 6.256 4.578 2.164 1.00 0.00 C ATOM 125 C VAL A 14 7.069 5.135 3.330 1.00 0.00 C ATOM 126 O VAL A 14 8.028 4.518 3.797 1.00 0.00 O ATOM 127 CB VAL A 14 5.320 3.431 2.645 1.00 0.00 C ATOM 128 CG1 VAL A 14 6.026 2.075 2.819 1.00 0.00 C ATOM 129 CG2 VAL A 14 4.553 3.780 3.933 1.00 0.00 C ATOM 0 H VAL A 14 8.119 4.153 1.298 1.00 0.00 H new ATOM 0 HA VAL A 14 5.596 5.355 1.778 1.00 0.00 H new ATOM 0 HB VAL A 14 4.605 3.326 1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.305 1.330 3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.453 1.762 1.866 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.821 2.171 3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.918 2.941 4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.262 3.986 4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.935 4.661 3.761 1.00 0.00 H new ATOM 139 N GLY A 15 6.628 6.293 3.823 1.00 0.00 N ATOM 140 CA GLY A 15 7.211 7.007 4.953 1.00 0.00 C ATOM 141 C GLY A 15 6.621 6.492 6.256 1.00 0.00 C ATOM 142 O GLY A 15 5.415 6.264 6.350 1.00 0.00 O ATOM 0 H GLY A 15 5.822 6.777 3.428 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.293 6.875 4.957 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.020 8.076 4.856 1.00 0.00 H new ATOM 146 N GLY A 16 7.469 6.288 7.261 1.00 0.00 N ATOM 147 CA GLY A 16 7.086 5.810 8.590 1.00 0.00 C ATOM 148 C GLY A 16 7.056 4.286 8.716 1.00 0.00 C ATOM 149 O GLY A 16 7.630 3.771 9.677 1.00 0.00 O ATOM 0 H GLY A 16 8.471 6.455 7.172 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.784 6.212 9.325 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.100 6.205 8.837 1.00 0.00 H new ATOM 153 N MET A 17 6.438 3.547 7.778 1.00 0.00 N ATOM 154 CA MET A 17 6.348 2.075 7.870 1.00 0.00 C ATOM 155 C MET A 17 7.742 1.445 7.702 1.00 0.00 C ATOM 156 O MET A 17 8.308 1.518 6.607 1.00 0.00 O ATOM 157 CB MET A 17 5.367 1.531 6.819 1.00 0.00 C ATOM 158 CG MET A 17 5.061 0.040 7.019 1.00 0.00 C ATOM 159 SD MET A 17 4.471 -0.777 5.515 1.00 0.00 S ATOM 160 CE MET A 17 6.067 -1.019 4.685 1.00 0.00 C ATOM 0 H MET A 17 5.994 3.942 6.949 1.00 0.00 H new ATOM 0 HA MET A 17 5.969 1.806 8.856 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.438 2.099 6.865 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.784 1.683 5.824 1.00 0.00 H new ATOM 0 HG2 MET A 17 5.961 -0.465 7.369 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.310 -0.068 7.802 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.941 -0.892 3.610 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.784 -0.286 5.055 1.00 0.00 H new ATOM 0 HE3 MET A 17 6.436 -2.024 4.891 1.00 0.00 H new ATOM 219 N CYS A 22 5.041 -4.307 11.601 1.00 0.00 N ATOM 220 CA CYS A 22 4.184 -3.209 11.140 1.00 0.00 C ATOM 221 C CYS A 22 3.446 -3.479 9.820 1.00 0.00 C ATOM 222 O CYS A 22 2.427 -2.834 9.569 1.00 0.00 O ATOM 223 CB CYS A 22 5.027 -1.927 11.072 1.00 0.00 C ATOM 224 SG CYS A 22 5.419 -1.393 12.763 1.00 0.00 S ATOM 0 HA CYS A 22 3.379 -3.099 11.867 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.944 -2.108 10.511 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.481 -1.144 10.546 1.00 0.00 H new ATOM 0 HG CYS A 22 6.135 -0.309 12.721 1.00 0.00 H new ATOM 229 N ALA A 23 3.880 -4.449 9.003 1.00 0.00 N ATOM 230 CA ALA A 23 3.125 -4.852 7.810 1.00 0.00 C ATOM 231 C ALA A 23 1.727 -5.388 8.171 1.00 0.00 C ATOM 232 O ALA A 23 0.796 -5.238 7.386 1.00 0.00 O ATOM 233 CB ALA A 23 3.907 -5.923 7.042 1.00 0.00 C ATOM 0 H ALA A 23 4.747 -4.967 9.146 1.00 0.00 H new ATOM 0 HA ALA A 23 2.991 -3.969 7.186 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.344 -6.220 6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.874 -5.521 6.739 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.060 -6.791 7.683 1.00 0.00 H new ATOM 239 N SER A 24 1.557 -5.970 9.360 1.00 0.00 N ATOM 240 CA SER A 24 0.303 -6.597 9.806 1.00 0.00 C ATOM 241 C SER A 24 -0.889 -5.631 9.768 1.00 0.00 C ATOM 242 O SER A 24 -1.992 -6.012 9.390 1.00 0.00 O ATOM 243 CB SER A 24 0.464 -7.099 11.244 1.00 0.00 C ATOM 244 OG SER A 24 1.582 -7.953 11.399 1.00 0.00 O ATOM 0 H SER A 24 2.300 -6.022 10.057 1.00 0.00 H new ATOM 0 HA SER A 24 0.099 -7.417 9.118 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.568 -6.245 11.914 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.439 -7.631 11.543 1.00 0.00 H new ATOM 0 HG SER A 24 1.643 -8.245 12.332 1.00 0.00 H new ATOM 249 N SER A 25 -0.666 -4.357 10.093 1.00 0.00 N ATOM 250 CA SER A 25 -1.694 -3.305 10.111 1.00 0.00 C ATOM 251 C SER A 25 -2.117 -2.876 8.690 1.00 0.00 C ATOM 252 O SER A 25 -3.135 -2.209 8.513 1.00 0.00 O ATOM 253 CB SER A 25 -1.196 -2.099 10.937 1.00 0.00 C ATOM 254 OG SER A 25 -0.391 -2.496 12.044 1.00 0.00 O ATOM 0 H SER A 25 0.258 -4.015 10.359 1.00 0.00 H new ATOM 0 HA SER A 25 -2.585 -3.715 10.586 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.621 -1.433 10.293 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.053 -1.531 11.299 1.00 0.00 H new ATOM 0 HG SER A 25 -0.097 -1.701 12.536 1.00 0.00 H new ATOM 259 N ILE A 26 -1.360 -3.283 7.661 1.00 0.00 N ATOM 260 CA ILE A 26 -1.759 -3.243 6.246 1.00 0.00 C ATOM 261 C ILE A 26 -2.352 -4.598 5.830 1.00 0.00 C ATOM 262 O ILE A 26 -3.429 -4.633 5.240 1.00 0.00 O ATOM 263 CB ILE A 26 -0.553 -2.814 5.361 1.00 0.00 C ATOM 264 CG1 ILE A 26 -0.283 -1.288 5.414 1.00 0.00 C ATOM 265 CG2 ILE A 26 -0.750 -3.205 3.883 1.00 0.00 C ATOM 266 CD1 ILE A 26 0.582 -0.836 6.596 1.00 0.00 C ATOM 0 H ILE A 26 -0.422 -3.662 7.795 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.539 -2.495 6.101 1.00 0.00 H new ATOM 0 HB ILE A 26 0.301 -3.347 5.778 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.204 -0.986 4.487 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.238 -0.764 5.458 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.116 -2.886 3.304 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.861 -4.287 3.804 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.645 -2.720 3.494 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.720 0.244 6.554 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.089 -1.103 7.531 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.553 -1.328 6.545 1.00 0.00 H new ATOM 277 N GLU A 27 -1.696 -5.721 6.132 1.00 0.00 N ATOM 278 CA GLU A 27 -2.100 -7.044 5.637 1.00 0.00 C ATOM 279 C GLU A 27 -3.422 -7.554 6.249 1.00 0.00 C ATOM 280 O GLU A 27 -4.149 -8.294 5.579 1.00 0.00 O ATOM 281 CB GLU A 27 -0.968 -8.069 5.836 1.00 0.00 C ATOM 282 CG GLU A 27 0.265 -7.748 4.976 1.00 0.00 C ATOM 283 CD GLU A 27 1.245 -8.918 4.915 1.00 0.00 C ATOM 284 OE1 GLU A 27 2.079 -9.091 5.834 1.00 0.00 O ATOM 285 OE2 GLU A 27 1.221 -9.665 3.907 1.00 0.00 O ATOM 0 H GLU A 27 -0.868 -5.741 6.727 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.290 -6.926 4.570 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.680 -8.090 6.887 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.334 -9.065 5.586 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.055 -7.491 3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.772 -6.873 5.382 1.00 0.00 H new ATOM 290 N ARG A 28 -3.791 -7.119 7.467 1.00 0.00 N ATOM 291 CA ARG A 28 -5.130 -7.364 8.040 1.00 0.00 C ATOM 292 C ARG A 28 -6.214 -6.422 7.462 1.00 0.00 C ATOM 293 O ARG A 28 -7.402 -6.590 7.737 1.00 0.00 O ATOM 294 CB ARG A 28 -5.065 -7.341 9.584 1.00 0.00 C ATOM 295 CG ARG A 28 -6.239 -8.121 10.206 1.00 0.00 C ATOM 296 CD ARG A 28 -6.187 -8.244 11.733 1.00 0.00 C ATOM 297 NE ARG A 28 -7.350 -9.019 12.198 1.00 0.00 N ATOM 298 CZ ARG A 28 -7.911 -9.015 13.400 1.00 0.00 C ATOM 299 NH1 ARG A 28 -7.464 -8.291 14.400 1.00 0.00 N ATOM 300 NH2 ARG A 28 -8.970 -9.756 13.633 1.00 0.00 N ATOM 0 H ARG A 28 -3.173 -6.589 8.081 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.445 -8.363 7.739 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.121 -7.774 9.917 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.084 -6.309 9.935 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.172 -7.632 9.926 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.262 -9.122 9.775 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.263 -8.734 12.039 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.189 -7.254 12.189 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.778 -9.637 11.509 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.647 -7.694 14.272 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.934 -8.326 15.305 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.361 -10.335 12.890 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.401 -9.753 14.557 1.00 0.00 H new ATOM 311 N ALA A 29 -5.840 -5.445 6.628 1.00 0.00 N ATOM 312 CA ALA A 29 -6.773 -4.601 5.874 1.00 0.00 C ATOM 313 C ALA A 29 -6.865 -4.998 4.393 1.00 0.00 C ATOM 314 O ALA A 29 -7.952 -4.964 3.830 1.00 0.00 O ATOM 315 CB ALA A 29 -6.335 -3.143 6.027 1.00 0.00 C ATOM 0 H ALA A 29 -4.861 -5.215 6.455 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.775 -4.739 6.281 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.017 -2.498 5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.351 -2.867 7.081 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.325 -3.024 5.636 1.00 0.00 H new ATOM 321 N LEU A 30 -5.760 -5.394 3.748 1.00 0.00 N ATOM 322 CA LEU A 30 -5.665 -5.539 2.286 1.00 0.00 C ATOM 323 C LEU A 30 -6.656 -6.545 1.670 1.00 0.00 C ATOM 324 O LEU A 30 -7.164 -6.302 0.575 1.00 0.00 O ATOM 325 CB LEU A 30 -4.193 -5.836 1.936 1.00 0.00 C ATOM 326 CG LEU A 30 -3.893 -5.772 0.419 1.00 0.00 C ATOM 327 CD1 LEU A 30 -2.530 -5.106 0.174 1.00 0.00 C ATOM 328 CD2 LEU A 30 -3.900 -7.167 -0.224 1.00 0.00 C ATOM 0 H LEU A 30 -4.893 -5.627 4.233 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.975 -4.601 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.553 -5.122 2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.932 -6.827 2.308 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.683 -5.180 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.331 -5.067 -0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.542 -4.094 0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.749 -5.684 0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.685 -7.078 -1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.140 -7.789 0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.880 -7.625 -0.089 1.00 0.00 H new ATOM 339 N GLU A 31 -7.002 -7.622 2.379 1.00 0.00 N ATOM 340 CA GLU A 31 -8.032 -8.574 1.936 1.00 0.00 C ATOM 341 C GLU A 31 -9.470 -8.064 2.143 1.00 0.00 C ATOM 342 O GLU A 31 -10.418 -8.665 1.629 1.00 0.00 O ATOM 343 CB GLU A 31 -7.822 -9.949 2.584 1.00 0.00 C ATOM 344 CG GLU A 31 -7.844 -9.968 4.116 1.00 0.00 C ATOM 345 CD GLU A 31 -7.629 -11.397 4.604 1.00 0.00 C ATOM 346 OE1 GLU A 31 -8.616 -12.167 4.653 1.00 0.00 O ATOM 347 OE2 GLU A 31 -6.464 -11.773 4.891 1.00 0.00 O ATOM 0 H GLU A 31 -6.579 -7.861 3.276 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.910 -8.678 0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.595 -10.625 2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.865 -10.347 2.247 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.065 -9.315 4.511 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.797 -9.585 4.483 1.00 0.00 H new ATOM 352 N ARG A 32 -9.638 -6.955 2.873 1.00 0.00 N ATOM 353 CA ARG A 32 -10.910 -6.263 3.088 1.00 0.00 C ATOM 354 C ARG A 32 -11.090 -5.038 2.163 1.00 0.00 C ATOM 355 O ARG A 32 -12.232 -4.662 1.881 1.00 0.00 O ATOM 356 CB ARG A 32 -11.040 -5.811 4.557 1.00 0.00 C ATOM 357 CG ARG A 32 -10.755 -6.885 5.626 1.00 0.00 C ATOM 358 CD ARG A 32 -11.020 -6.288 7.016 1.00 0.00 C ATOM 359 NE ARG A 32 -10.711 -7.216 8.119 1.00 0.00 N ATOM 360 CZ ARG A 32 -10.602 -6.866 9.397 1.00 0.00 C ATOM 361 NH1 ARG A 32 -10.876 -5.649 9.819 1.00 0.00 N ATOM 362 NH2 ARG A 32 -10.208 -7.736 10.296 1.00 0.00 N ATOM 0 H ARG A 32 -8.859 -6.499 3.348 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.693 -6.981 2.845 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.359 -4.976 4.720 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.051 -5.433 4.711 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.389 -7.756 5.463 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.722 -7.225 5.553 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.424 -5.383 7.134 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.067 -5.991 7.083 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.571 -8.199 7.884 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.184 -4.937 9.157 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.780 -5.419 10.808 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.982 -8.691 10.017 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.128 -7.458 11.274 1.00 0.00 H new ATOM 373 N LEU A 33 -10.000 -4.415 1.685 1.00 0.00 N ATOM 374 CA LEU A 33 -10.014 -3.279 0.740 1.00 0.00 C ATOM 375 C LEU A 33 -10.660 -3.656 -0.604 1.00 0.00 C ATOM 376 O LEU A 33 -10.709 -4.832 -0.971 1.00 0.00 O ATOM 377 CB LEU A 33 -8.580 -2.759 0.486 1.00 0.00 C ATOM 378 CG LEU A 33 -7.790 -2.241 1.705 1.00 0.00 C ATOM 379 CD1 LEU A 33 -6.411 -1.743 1.249 1.00 0.00 C ATOM 380 CD2 LEU A 33 -8.511 -1.139 2.491 1.00 0.00 C ATOM 0 H LEU A 33 -9.056 -4.694 1.951 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.613 -2.494 1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.005 -3.564 0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.638 -1.953 -0.246 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.690 -3.083 2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.853 -1.377 2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.864 -2.563 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.536 -0.935 0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.892 -0.828 3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.692 -0.285 1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.462 -1.520 2.862 1.00 0.00 H new ATOM 391 N LYS A 34 -11.126 -2.666 -1.368 1.00 0.00 N ATOM 392 CA LYS A 34 -11.694 -2.856 -2.715 1.00 0.00 C ATOM 393 C LYS A 34 -10.631 -2.781 -3.838 1.00 0.00 C ATOM 394 O LYS A 34 -9.647 -2.045 -3.731 1.00 0.00 O ATOM 395 CB LYS A 34 -12.841 -1.842 -2.926 1.00 0.00 C ATOM 396 CG LYS A 34 -12.341 -0.400 -3.107 1.00 0.00 C ATOM 397 CD LYS A 34 -13.455 0.648 -3.124 1.00 0.00 C ATOM 398 CE LYS A 34 -12.801 2.026 -3.299 1.00 0.00 C ATOM 399 NZ LYS A 34 -13.802 3.104 -3.448 1.00 0.00 N ATOM 0 H LYS A 34 -11.122 -1.691 -1.068 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.094 -3.868 -2.778 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.419 -2.133 -3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.516 -1.882 -2.071 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.646 -0.164 -2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.781 -0.335 -4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.153 0.450 -3.938 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.028 0.612 -2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.167 2.238 -2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.153 2.010 -4.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.316 4.016 -3.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.391 2.918 -4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.404 3.138 -2.601 1.00 0.00 H new ATOM 409 N GLY A 35 -10.850 -3.511 -4.942 1.00 0.00 N ATOM 410 CA GLY A 35 -10.143 -3.353 -6.226 1.00 0.00 C ATOM 411 C GLY A 35 -8.759 -4.007 -6.345 1.00 0.00 C ATOM 412 O GLY A 35 -8.165 -3.917 -7.421 1.00 0.00 O ATOM 0 H GLY A 35 -11.548 -4.254 -4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.778 -3.758 -7.014 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.032 -2.287 -6.422 1.00 0.00 H new ATOM 416 N VAL A 36 -8.255 -4.661 -5.293 1.00 0.00 N ATOM 417 CA VAL A 36 -6.893 -5.227 -5.202 1.00 0.00 C ATOM 418 C VAL A 36 -6.936 -6.763 -5.258 1.00 0.00 C ATOM 419 O VAL A 36 -7.798 -7.397 -4.649 1.00 0.00 O ATOM 420 CB VAL A 36 -6.125 -4.680 -3.963 1.00 0.00 C ATOM 421 CG1 VAL A 36 -6.920 -4.707 -2.647 1.00 0.00 C ATOM 422 CG2 VAL A 36 -4.782 -5.389 -3.720 1.00 0.00 C ATOM 0 H VAL A 36 -8.801 -4.820 -4.446 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.324 -4.897 -6.071 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.953 -3.639 -4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.304 -4.307 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -7.819 -4.099 -2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.202 -5.734 -2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.298 -4.961 -2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.956 -6.452 -3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.138 -5.257 -4.590 1.00 0.00 H new ATOM 432 N ALA A 37 -6.020 -7.362 -6.027 1.00 0.00 N ATOM 433 CA ALA A 37 -6.031 -8.789 -6.364 1.00 0.00 C ATOM 434 C ALA A 37 -4.884 -9.611 -5.756 1.00 0.00 C ATOM 435 O ALA A 37 -5.074 -10.809 -5.541 1.00 0.00 O ATOM 436 CB ALA A 37 -6.010 -8.898 -7.889 1.00 0.00 C ATOM 0 H ALA A 37 -5.235 -6.858 -6.440 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.932 -9.220 -5.928 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.017 -9.949 -8.179 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.888 -8.402 -8.301 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.109 -8.421 -8.275 1.00 0.00 H new ATOM 442 N GLU A 38 -3.726 -9.009 -5.471 1.00 0.00 N ATOM 443 CA GLU A 38 -2.553 -9.670 -4.872 1.00 0.00 C ATOM 444 C GLU A 38 -1.446 -8.670 -4.527 1.00 0.00 C ATOM 445 O GLU A 38 -1.321 -7.645 -5.191 1.00 0.00 O ATOM 446 CB GLU A 38 -2.017 -10.851 -5.711 1.00 0.00 C ATOM 447 CG GLU A 38 -1.753 -10.516 -7.183 1.00 0.00 C ATOM 448 CD GLU A 38 -1.340 -11.763 -7.951 1.00 0.00 C ATOM 449 OE1 GLU A 38 -2.226 -12.553 -8.353 1.00 0.00 O ATOM 450 OE2 GLU A 38 -0.119 -11.972 -8.151 1.00 0.00 O ATOM 0 H GLU A 38 -3.570 -8.018 -5.655 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.907 -10.105 -3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.091 -11.209 -5.261 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.734 -11.671 -5.661 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.650 -10.087 -7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.969 -9.762 -7.255 1.00 0.00 H new ATOM 455 N ALA A 39 -0.630 -8.938 -3.502 1.00 0.00 N ATOM 456 CA ALA A 39 0.305 -7.945 -2.951 1.00 0.00 C ATOM 457 C ALA A 39 1.517 -8.572 -2.237 1.00 0.00 C ATOM 458 O ALA A 39 1.668 -9.795 -2.209 1.00 0.00 O ATOM 459 CB ALA A 39 -0.501 -7.028 -2.014 1.00 0.00 C ATOM 0 H ALA A 39 -0.597 -9.843 -3.032 1.00 0.00 H new ATOM 0 HA ALA A 39 0.742 -7.374 -3.770 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.160 -6.275 -1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.292 -6.536 -2.579 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.942 -7.623 -1.214 1.00 0.00 H new ATOM 465 N SER A 40 2.379 -7.728 -1.663 1.00 0.00 N ATOM 466 CA SER A 40 3.444 -8.049 -0.694 1.00 0.00 C ATOM 467 C SER A 40 4.094 -6.770 -0.127 1.00 0.00 C ATOM 468 O SER A 40 4.520 -5.887 -0.874 1.00 0.00 O ATOM 469 CB SER A 40 4.531 -8.942 -1.311 1.00 0.00 C ATOM 470 OG SER A 40 4.092 -10.288 -1.386 1.00 0.00 O ATOM 0 H SER A 40 2.354 -6.731 -1.875 1.00 0.00 H new ATOM 0 HA SER A 40 2.965 -8.596 0.118 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.783 -8.580 -2.308 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.440 -8.884 -0.712 1.00 0.00 H new ATOM 0 HG SER A 40 3.115 -10.310 -1.453 1.00 0.00 H new ATOM 475 N VAL A 41 4.207 -6.666 1.197 1.00 0.00 N ATOM 476 CA VAL A 41 4.786 -5.522 1.929 1.00 0.00 C ATOM 477 C VAL A 41 6.279 -5.775 2.189 1.00 0.00 C ATOM 478 O VAL A 41 6.653 -6.908 2.495 1.00 0.00 O ATOM 479 CB VAL A 41 4.054 -5.313 3.281 1.00 0.00 C ATOM 480 CG1 VAL A 41 4.545 -4.042 3.990 1.00 0.00 C ATOM 481 CG2 VAL A 41 2.524 -5.212 3.121 1.00 0.00 C ATOM 0 H VAL A 41 3.886 -7.405 1.823 1.00 0.00 H new ATOM 0 HA VAL A 41 4.666 -4.625 1.322 1.00 0.00 H new ATOM 0 HB VAL A 41 4.288 -6.195 3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.013 -3.923 4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.615 -4.124 4.184 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.356 -3.176 3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.065 -5.066 4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.281 -4.367 2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.143 -6.131 2.675 1.00 0.00 H new ATOM 491 N THR A 42 7.123 -4.732 2.110 1.00 0.00 N ATOM 492 CA THR A 42 8.554 -4.787 2.457 1.00 0.00 C ATOM 493 C THR A 42 8.878 -3.753 3.539 1.00 0.00 C ATOM 494 O THR A 42 9.295 -2.630 3.251 1.00 0.00 O ATOM 495 CB THR A 42 9.456 -4.583 1.230 1.00 0.00 C ATOM 496 OG1 THR A 42 9.045 -5.380 0.137 1.00 0.00 O ATOM 497 CG2 THR A 42 10.896 -4.974 1.566 1.00 0.00 C ATOM 0 H THR A 42 6.824 -3.809 1.797 1.00 0.00 H new ATOM 0 HA THR A 42 8.758 -5.785 2.844 1.00 0.00 H new ATOM 0 HB THR A 42 9.386 -3.530 0.959 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.641 -5.222 -0.625 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.527 -4.826 0.690 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.260 -4.353 2.385 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.928 -6.022 1.863 1.00 0.00 H new ATOM 505 N VAL A 43 8.722 -4.148 4.800 1.00 0.00 N ATOM 506 CA VAL A 43 9.138 -3.371 5.984 1.00 0.00 C ATOM 507 C VAL A 43 10.663 -3.169 6.042 1.00 0.00 C ATOM 508 O VAL A 43 11.116 -2.149 6.553 1.00 0.00 O ATOM 509 CB VAL A 43 8.596 -4.050 7.267 1.00 0.00 C ATOM 510 CG1 VAL A 43 9.281 -3.641 8.578 1.00 0.00 C ATOM 511 CG2 VAL A 43 7.100 -3.717 7.394 1.00 0.00 C ATOM 0 H VAL A 43 8.292 -5.041 5.042 1.00 0.00 H new ATOM 0 HA VAL A 43 8.708 -2.372 5.908 1.00 0.00 H new ATOM 0 HB VAL A 43 8.800 -5.113 7.141 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.823 -4.176 9.410 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.341 -3.888 8.527 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.166 -2.568 8.729 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.698 -4.186 8.292 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.972 -2.637 7.460 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.568 -4.092 6.520 1.00 0.00 H new ATOM 521 N ALA A 44 11.462 -4.084 5.470 1.00 0.00 N ATOM 522 CA ALA A 44 12.931 -4.018 5.477 1.00 0.00 C ATOM 523 C ALA A 44 13.535 -2.745 4.844 1.00 0.00 C ATOM 524 O ALA A 44 14.676 -2.390 5.162 1.00 0.00 O ATOM 525 CB ALA A 44 13.456 -5.274 4.770 1.00 0.00 C ATOM 0 H ALA A 44 11.099 -4.903 4.982 1.00 0.00 H new ATOM 0 HA ALA A 44 13.247 -3.971 6.519 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.546 -5.256 4.758 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.114 -6.161 5.303 1.00 0.00 H new ATOM 0 HB3 ALA A 44 13.082 -5.298 3.746 1.00 0.00 H new ATOM 531 N THR A 45 12.783 -2.067 3.965 1.00 0.00 N ATOM 532 CA THR A 45 13.184 -0.837 3.256 1.00 0.00 C ATOM 533 C THR A 45 12.140 0.273 3.338 1.00 0.00 C ATOM 534 O THR A 45 12.495 1.441 3.180 1.00 0.00 O ATOM 535 CB THR A 45 13.482 -1.154 1.782 1.00 0.00 C ATOM 536 OG1 THR A 45 12.377 -1.820 1.210 1.00 0.00 O ATOM 537 CG2 THR A 45 14.714 -2.052 1.651 1.00 0.00 C ATOM 0 H THR A 45 11.841 -2.370 3.717 1.00 0.00 H new ATOM 0 HA THR A 45 14.080 -0.469 3.756 1.00 0.00 H new ATOM 0 HB THR A 45 13.672 -0.213 1.265 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.567 -2.020 0.270 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.902 -2.261 0.598 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.579 -1.548 2.081 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.540 -2.989 2.181 1.00 0.00 H new ATOM 545 N GLY A 46 10.872 -0.053 3.604 1.00 0.00 N ATOM 546 CA GLY A 46 9.758 0.893 3.528 1.00 0.00 C ATOM 547 C GLY A 46 9.241 0.972 2.093 1.00 0.00 C ATOM 548 O GLY A 46 9.309 2.031 1.462 1.00 0.00 O ATOM 0 H GLY A 46 10.588 -0.993 3.881 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.956 0.579 4.196 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.083 1.879 3.862 1.00 0.00 H new ATOM 552 N ARG A 47 8.747 -0.165 1.584 1.00 0.00 N ATOM 553 CA ARG A 47 8.139 -0.313 0.256 1.00 0.00 C ATOM 554 C ARG A 47 6.918 -1.240 0.311 1.00 0.00 C ATOM 555 O ARG A 47 6.754 -2.032 1.239 1.00 0.00 O ATOM 556 CB ARG A 47 9.151 -0.869 -0.770 1.00 0.00 C ATOM 557 CG ARG A 47 10.341 0.052 -1.061 1.00 0.00 C ATOM 558 CD ARG A 47 11.275 -0.567 -2.113 1.00 0.00 C ATOM 559 NE ARG A 47 12.223 0.432 -2.638 1.00 0.00 N ATOM 560 CZ ARG A 47 12.074 1.187 -3.720 1.00 0.00 C ATOM 561 NH1 ARG A 47 11.142 0.977 -4.622 1.00 0.00 N ATOM 562 NH2 ARG A 47 12.890 2.198 -3.885 1.00 0.00 N ATOM 0 H ARG A 47 8.761 -1.041 2.107 1.00 0.00 H new ATOM 0 HA ARG A 47 7.824 0.681 -0.062 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.529 -1.824 -0.406 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.627 -1.069 -1.705 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.980 1.018 -1.414 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.896 0.236 -0.141 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.826 -1.397 -1.671 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.684 -0.977 -2.932 1.00 0.00 H new ATOM 0 HE ARG A 47 13.088 0.557 -2.113 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.488 0.202 -4.509 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.072 1.589 -5.435 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.615 2.387 -3.192 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.801 2.797 -4.706 1.00 0.00 H new ATOM 573 N LEU A 48 6.075 -1.179 -0.719 1.00 0.00 N ATOM 574 CA LEU A 48 4.884 -2.022 -0.881 1.00 0.00 C ATOM 575 C LEU A 48 4.720 -2.376 -2.363 1.00 0.00 C ATOM 576 O LEU A 48 4.997 -1.535 -3.215 1.00 0.00 O ATOM 577 CB LEU A 48 3.659 -1.249 -0.347 1.00 0.00 C ATOM 578 CG LEU A 48 2.673 -2.070 0.500 1.00 0.00 C ATOM 579 CD1 LEU A 48 1.549 -1.132 0.950 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.054 -3.253 -0.258 1.00 0.00 C ATOM 0 H LEU A 48 6.203 -0.522 -1.489 1.00 0.00 H new ATOM 0 HA LEU A 48 4.982 -2.951 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.014 -0.410 0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.119 -0.829 -1.195 1.00 0.00 H new ATOM 0 HG LEU A 48 3.227 -2.490 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.832 -1.687 1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.969 -0.318 1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.045 -0.722 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.369 -3.788 0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.509 -2.883 -1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.844 -3.929 -0.586 1.00 0.00 H new ATOM 591 N THR A 49 4.256 -3.588 -2.676 1.00 0.00 N ATOM 592 CA THR A 49 4.001 -4.065 -4.045 1.00 0.00 C ATOM 593 C THR A 49 2.576 -4.593 -4.094 1.00 0.00 C ATOM 594 O THR A 49 2.165 -5.300 -3.176 1.00 0.00 O ATOM 595 CB THR A 49 5.022 -5.133 -4.462 1.00 0.00 C ATOM 596 OG1 THR A 49 6.327 -4.617 -4.289 1.00 0.00 O ATOM 597 CG2 THR A 49 4.883 -5.509 -5.937 1.00 0.00 C ATOM 0 H THR A 49 4.040 -4.288 -1.966 1.00 0.00 H new ATOM 0 HA THR A 49 4.114 -3.247 -4.757 1.00 0.00 H new ATOM 0 HB THR A 49 4.842 -6.013 -3.845 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.967 -5.357 -4.238 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.624 -6.267 -6.191 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.883 -5.903 -6.119 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.043 -4.625 -6.554 1.00 0.00 H new ATOM 605 N VAL A 50 1.818 -4.215 -5.122 1.00 0.00 N ATOM 606 CA VAL A 50 0.354 -4.377 -5.163 1.00 0.00 C ATOM 607 C VAL A 50 -0.175 -4.476 -6.601 1.00 0.00 C ATOM 608 O VAL A 50 0.212 -3.690 -7.462 1.00 0.00 O ATOM 609 CB VAL A 50 -0.329 -3.231 -4.368 1.00 0.00 C ATOM 610 CG1 VAL A 50 -0.091 -1.827 -4.956 1.00 0.00 C ATOM 611 CG2 VAL A 50 -1.837 -3.454 -4.193 1.00 0.00 C ATOM 0 H VAL A 50 2.201 -3.782 -5.962 1.00 0.00 H new ATOM 0 HA VAL A 50 0.101 -5.323 -4.684 1.00 0.00 H new ATOM 0 HB VAL A 50 0.157 -3.266 -3.393 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.601 -1.084 -4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.978 -1.614 -4.969 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.481 -1.788 -5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.265 -2.624 -3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.312 -3.512 -5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.007 -4.385 -3.652 1.00 0.00 H new ATOM 621 N THR A 51 -1.073 -5.440 -6.843 1.00 0.00 N ATOM 622 CA THR A 51 -1.828 -5.641 -8.086 1.00 0.00 C ATOM 623 C THR A 51 -3.233 -5.110 -7.878 1.00 0.00 C ATOM 624 O THR A 51 -3.996 -5.692 -7.112 1.00 0.00 O ATOM 625 CB THR A 51 -1.877 -7.128 -8.477 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.587 -7.535 -8.872 1.00 0.00 O ATOM 627 CG2 THR A 51 -2.765 -7.372 -9.708 1.00 0.00 C ATOM 0 H THR A 51 -1.305 -6.139 -6.137 1.00 0.00 H new ATOM 0 HA THR A 51 -1.334 -5.107 -8.898 1.00 0.00 H new ATOM 0 HB THR A 51 -2.263 -7.670 -7.614 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.605 -8.482 -9.122 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.770 -8.435 -9.948 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.782 -7.043 -9.494 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.373 -6.811 -10.556 1.00 0.00 H new ATOM 635 N TYR A 52 -3.590 -4.055 -8.606 1.00 0.00 N ATOM 636 CA TYR A 52 -4.940 -3.474 -8.614 1.00 0.00 C ATOM 637 C TYR A 52 -5.419 -3.138 -10.034 1.00 0.00 C ATOM 638 O TYR A 52 -4.613 -3.054 -10.965 1.00 0.00 O ATOM 639 CB TYR A 52 -4.998 -2.250 -7.682 1.00 0.00 C ATOM 640 CG TYR A 52 -4.142 -1.037 -8.037 1.00 0.00 C ATOM 641 CD1 TYR A 52 -4.395 -0.279 -9.202 1.00 0.00 C ATOM 642 CD2 TYR A 52 -3.139 -0.603 -7.145 1.00 0.00 C ATOM 643 CE1 TYR A 52 -3.684 0.904 -9.455 1.00 0.00 C ATOM 644 CE2 TYR A 52 -2.422 0.586 -7.391 1.00 0.00 C ATOM 645 CZ TYR A 52 -2.711 1.352 -8.542 1.00 0.00 C ATOM 646 OH TYR A 52 -2.087 2.528 -8.794 1.00 0.00 O ATOM 0 H TYR A 52 -2.939 -3.566 -9.221 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.631 -4.226 -8.233 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.036 -1.921 -7.627 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.714 -2.578 -6.682 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.143 -0.613 -9.905 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.918 -1.188 -6.264 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.884 1.472 -10.352 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.655 0.909 -6.702 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.605 2.821 -7.993 1.00 0.00 H new ATOM 655 N ASP A 53 -6.724 -2.906 -10.199 1.00 0.00 N ATOM 656 CA ASP A 53 -7.327 -2.438 -11.445 1.00 0.00 C ATOM 657 C ASP A 53 -7.366 -0.891 -11.443 1.00 0.00 C ATOM 658 O ASP A 53 -8.028 -0.300 -10.577 1.00 0.00 O ATOM 659 CB ASP A 53 -8.719 -3.065 -11.584 1.00 0.00 C ATOM 660 CG ASP A 53 -9.430 -2.581 -12.845 1.00 0.00 C ATOM 661 OD1 ASP A 53 -9.823 -1.402 -12.863 1.00 0.00 O ATOM 662 OD2 ASP A 53 -9.569 -3.354 -13.822 1.00 0.00 O ATOM 0 H ASP A 53 -7.404 -3.042 -9.451 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.738 -2.744 -12.309 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.628 -4.151 -11.611 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.320 -2.817 -10.709 1.00 0.00 H new ATOM 666 N PRO A 54 -6.678 -0.221 -12.390 1.00 0.00 N ATOM 667 CA PRO A 54 -6.505 1.233 -12.396 1.00 0.00 C ATOM 668 C PRO A 54 -7.769 1.995 -12.828 1.00 0.00 C ATOM 669 O PRO A 54 -7.703 3.205 -13.039 1.00 0.00 O ATOM 670 CB PRO A 54 -5.323 1.479 -13.345 1.00 0.00 C ATOM 671 CG PRO A 54 -5.468 0.356 -14.369 1.00 0.00 C ATOM 672 CD PRO A 54 -5.947 -0.810 -13.508 1.00 0.00 C ATOM 0 HA PRO A 54 -6.314 1.612 -11.392 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.378 2.462 -13.813 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.368 1.428 -12.822 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.187 0.607 -15.149 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.523 0.134 -14.865 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.588 -1.479 -14.082 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.104 -1.403 -13.152 1.00 0.00 H new ATOM 677 N LYS A 55 -8.908 1.310 -12.981 1.00 0.00 N ATOM 678 CA LYS A 55 -10.192 1.866 -13.440 1.00 0.00 C ATOM 679 C LYS A 55 -11.290 1.681 -12.374 1.00 0.00 C ATOM 680 O LYS A 55 -12.143 2.552 -12.198 1.00 0.00 O ATOM 681 CB LYS A 55 -10.536 1.206 -14.793 1.00 0.00 C ATOM 682 CG LYS A 55 -11.768 1.815 -15.485 1.00 0.00 C ATOM 683 CD LYS A 55 -12.151 1.080 -16.782 1.00 0.00 C ATOM 684 CE LYS A 55 -11.082 1.231 -17.873 1.00 0.00 C ATOM 685 NZ LYS A 55 -11.470 0.557 -19.135 1.00 0.00 N ATOM 0 H LYS A 55 -8.966 0.311 -12.781 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.118 2.943 -13.588 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.677 1.293 -15.458 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.709 0.142 -14.634 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.613 1.792 -14.797 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.570 2.863 -15.712 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.301 0.022 -16.567 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.101 1.468 -17.150 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.910 2.290 -18.067 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.140 0.815 -17.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.719 0.685 -19.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.609 -0.458 -18.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.355 0.970 -19.491 1.00 0.00 H new ATOM 695 N GLN A 56 -11.224 0.599 -11.594 1.00 0.00 N ATOM 696 CA GLN A 56 -11.929 0.447 -10.321 1.00 0.00 C ATOM 697 C GLN A 56 -11.350 1.388 -9.256 1.00 0.00 C ATOM 698 O GLN A 56 -12.121 1.996 -8.510 1.00 0.00 O ATOM 699 CB GLN A 56 -11.814 -1.002 -9.814 1.00 0.00 C ATOM 700 CG GLN A 56 -12.553 -2.027 -10.685 1.00 0.00 C ATOM 701 CD GLN A 56 -12.521 -3.425 -10.067 1.00 0.00 C ATOM 702 OE1 GLN A 56 -11.480 -4.057 -9.943 1.00 0.00 O ATOM 703 NE2 GLN A 56 -13.641 -3.953 -9.631 1.00 0.00 N ATOM 0 H GLN A 56 -10.663 -0.217 -11.838 1.00 0.00 H new ATOM 0 HA GLN A 56 -12.976 0.698 -10.493 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.760 -1.276 -9.763 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.206 -1.053 -8.798 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.588 -1.712 -10.818 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.099 -2.057 -11.676 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -14.518 -3.440 -9.726 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -13.635 -4.876 -9.197 1.00 0.00 H new ATOM 710 N VAL A 57 -10.016 1.499 -9.167 1.00 0.00 N ATOM 711 CA VAL A 57 -9.333 2.180 -8.048 1.00 0.00 C ATOM 712 C VAL A 57 -8.047 2.899 -8.483 1.00 0.00 C ATOM 713 O VAL A 57 -7.694 2.920 -9.660 1.00 0.00 O ATOM 714 CB VAL A 57 -9.034 1.203 -6.875 1.00 0.00 C ATOM 715 CG1 VAL A 57 -10.304 0.667 -6.204 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.143 0.016 -7.281 1.00 0.00 C ATOM 0 H VAL A 57 -9.377 1.121 -9.867 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.029 2.942 -7.696 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.487 1.814 -6.156 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.030 -0.009 -5.394 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.882 1.499 -5.802 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.904 0.129 -6.938 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.974 -0.625 -6.416 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.636 -0.557 -8.066 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.187 0.388 -7.649 1.00 0.00 H new ATOM 726 N SER A 58 -7.351 3.495 -7.516 1.00 0.00 N ATOM 727 CA SER A 58 -5.987 4.020 -7.605 1.00 0.00 C ATOM 728 C SER A 58 -5.303 3.809 -6.238 1.00 0.00 C ATOM 729 O SER A 58 -5.817 3.066 -5.394 1.00 0.00 O ATOM 730 CB SER A 58 -6.018 5.508 -8.018 1.00 0.00 C ATOM 731 OG SER A 58 -6.566 6.354 -7.010 1.00 0.00 O ATOM 0 H SER A 58 -7.750 3.634 -6.588 1.00 0.00 H new ATOM 0 HA SER A 58 -5.415 3.493 -8.369 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.005 5.837 -8.249 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.603 5.614 -8.931 1.00 0.00 H new ATOM 0 HG SER A 58 -5.954 7.101 -6.842 1.00 0.00 H new ATOM 736 N GLU A 59 -4.203 4.512 -5.955 1.00 0.00 N ATOM 737 CA GLU A 59 -3.638 4.580 -4.601 1.00 0.00 C ATOM 738 C GLU A 59 -4.658 4.983 -3.512 1.00 0.00 C ATOM 739 O GLU A 59 -4.487 4.596 -2.359 1.00 0.00 O ATOM 740 CB GLU A 59 -2.382 5.476 -4.557 1.00 0.00 C ATOM 741 CG GLU A 59 -2.361 6.735 -5.436 1.00 0.00 C ATOM 742 CD GLU A 59 -3.539 7.664 -5.176 1.00 0.00 C ATOM 743 OE1 GLU A 59 -3.446 8.504 -4.251 1.00 0.00 O ATOM 744 OE2 GLU A 59 -4.542 7.564 -5.925 1.00 0.00 O ATOM 0 H GLU A 59 -3.681 5.046 -6.650 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.342 3.559 -4.359 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.231 5.788 -3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.525 4.862 -4.833 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.432 7.278 -5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.364 6.439 -6.485 1.00 0.00 H new ATOM 749 N ILE A 60 -5.757 5.673 -3.839 1.00 0.00 N ATOM 750 CA ILE A 60 -6.829 6.045 -2.893 1.00 0.00 C ATOM 751 C ILE A 60 -7.392 4.854 -2.102 1.00 0.00 C ATOM 752 O ILE A 60 -7.746 5.044 -0.934 1.00 0.00 O ATOM 753 CB ILE A 60 -7.925 6.850 -3.641 1.00 0.00 C ATOM 754 CG1 ILE A 60 -7.502 8.329 -3.797 1.00 0.00 C ATOM 755 CG2 ILE A 60 -9.326 6.757 -3.007 1.00 0.00 C ATOM 756 CD1 ILE A 60 -7.627 9.184 -2.525 1.00 0.00 C ATOM 0 H ILE A 60 -5.935 5.998 -4.789 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.392 6.686 -2.127 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.012 6.383 -4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.467 8.360 -4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.108 8.783 -4.581 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.030 7.348 -3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.650 5.716 -2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -9.290 7.140 -1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.306 10.204 -2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.665 9.192 -2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.998 8.763 -1.740 1.00 0.00 H new ATOM 767 N THR A 61 -7.411 3.633 -2.666 1.00 0.00 N ATOM 768 CA THR A 61 -7.866 2.420 -1.952 1.00 0.00 C ATOM 769 C THR A 61 -7.018 2.094 -0.730 1.00 0.00 C ATOM 770 O THR A 61 -7.515 1.505 0.225 1.00 0.00 O ATOM 771 CB THR A 61 -7.944 1.219 -2.906 1.00 0.00 C ATOM 772 OG1 THR A 61 -8.935 0.349 -2.407 1.00 0.00 O ATOM 773 CG2 THR A 61 -6.654 0.420 -3.101 1.00 0.00 C ATOM 0 H THR A 61 -7.113 3.457 -3.625 1.00 0.00 H new ATOM 0 HA THR A 61 -8.868 2.637 -1.581 1.00 0.00 H new ATOM 0 HB THR A 61 -8.166 1.634 -3.889 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.031 -0.417 -3.010 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.836 -0.401 -3.795 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.880 1.072 -3.505 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.326 0.018 -2.142 1.00 0.00 H new ATOM 781 N ILE A 62 -5.745 2.496 -0.738 1.00 0.00 N ATOM 782 CA ILE A 62 -4.739 2.112 0.272 1.00 0.00 C ATOM 783 C ILE A 62 -4.095 3.321 0.986 1.00 0.00 C ATOM 784 O ILE A 62 -3.582 3.189 2.098 1.00 0.00 O ATOM 785 CB ILE A 62 -3.778 1.110 -0.417 1.00 0.00 C ATOM 786 CG1 ILE A 62 -3.084 0.209 0.629 1.00 0.00 C ATOM 787 CG2 ILE A 62 -2.773 1.777 -1.373 1.00 0.00 C ATOM 788 CD1 ILE A 62 -2.184 -0.881 0.028 1.00 0.00 C ATOM 0 H ILE A 62 -5.370 3.111 -1.460 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.193 1.606 1.124 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.393 0.476 -1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.484 0.835 1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.847 -0.266 1.246 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.134 1.015 -1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.313 2.303 -2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.159 2.487 -0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.737 -1.467 0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.780 -1.534 -0.609 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.396 -0.416 -0.565 1.00 0.00 H new ATOM 799 N GLN A 63 -4.214 4.516 0.400 1.00 0.00 N ATOM 800 CA GLN A 63 -3.742 5.802 0.915 1.00 0.00 C ATOM 801 C GLN A 63 -4.308 6.141 2.300 1.00 0.00 C ATOM 802 O GLN A 63 -3.532 6.509 3.179 1.00 0.00 O ATOM 803 CB GLN A 63 -4.144 6.893 -0.100 1.00 0.00 C ATOM 804 CG GLN A 63 -3.624 8.300 0.232 1.00 0.00 C ATOM 805 CD GLN A 63 -4.423 9.385 -0.482 1.00 0.00 C ATOM 806 OE1 GLN A 63 -5.126 10.167 0.142 1.00 0.00 O ATOM 807 NE2 GLN A 63 -4.393 9.493 -1.789 1.00 0.00 N ATOM 0 H GLN A 63 -4.673 4.616 -0.506 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.660 5.746 1.036 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.776 6.607 -1.085 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.232 6.928 -0.164 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.675 8.461 1.309 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.574 8.376 -0.052 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.817 8.857 -2.340 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.946 10.213 -2.254 1.00 0.00 H new ATOM 814 N GLU A 64 -5.630 6.037 2.494 1.00 0.00 N ATOM 815 CA GLU A 64 -6.313 6.441 3.736 1.00 0.00 C ATOM 816 C GLU A 64 -5.982 5.474 4.880 1.00 0.00 C ATOM 817 O GLU A 64 -5.800 5.903 6.019 1.00 0.00 O ATOM 818 CB GLU A 64 -7.841 6.544 3.521 1.00 0.00 C ATOM 819 CG GLU A 64 -8.259 7.482 2.370 1.00 0.00 C ATOM 820 CD GLU A 64 -9.782 7.602 2.236 1.00 0.00 C ATOM 821 OE1 GLU A 64 -10.436 6.591 1.888 1.00 0.00 O ATOM 822 OE2 GLU A 64 -10.343 8.704 2.455 1.00 0.00 O ATOM 0 H GLU A 64 -6.264 5.666 1.787 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.948 7.430 4.014 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.236 5.548 3.324 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.303 6.893 4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.833 8.471 2.538 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.843 7.111 1.433 1.00 0.00 H new ATOM 827 N ARG A 65 -5.837 4.175 4.591 1.00 0.00 N ATOM 828 CA ARG A 65 -5.320 3.178 5.532 1.00 0.00 C ATOM 829 C ARG A 65 -3.877 3.504 5.933 1.00 0.00 C ATOM 830 O ARG A 65 -3.587 3.567 7.126 1.00 0.00 O ATOM 831 CB ARG A 65 -5.499 1.777 4.912 1.00 0.00 C ATOM 832 CG ARG A 65 -4.734 0.620 5.579 1.00 0.00 C ATOM 833 CD ARG A 65 -4.904 0.454 7.095 1.00 0.00 C ATOM 834 NE ARG A 65 -6.281 0.128 7.508 1.00 0.00 N ATOM 835 CZ ARG A 65 -6.618 -0.657 8.528 1.00 0.00 C ATOM 836 NH1 ARG A 65 -5.733 -1.348 9.217 1.00 0.00 N ATOM 837 NH2 ARG A 65 -7.878 -0.779 8.867 1.00 0.00 N ATOM 0 H ARG A 65 -6.080 3.782 3.681 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.883 3.196 6.465 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.561 1.533 4.924 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.195 1.827 3.866 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -5.041 -0.310 5.100 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.672 0.751 5.370 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.235 -0.333 7.442 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.595 1.375 7.589 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.040 0.539 6.965 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.743 -1.294 8.976 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.037 -1.937 9.992 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.597 -0.273 8.349 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.140 -1.380 9.648 1.00 0.00 H new ATOM 848 N ILE A 66 -2.963 3.739 4.986 1.00 0.00 N ATOM 849 CA ILE A 66 -1.552 4.042 5.318 1.00 0.00 C ATOM 850 C ILE A 66 -1.438 5.384 6.070 1.00 0.00 C ATOM 851 O ILE A 66 -0.715 5.458 7.059 1.00 0.00 O ATOM 852 CB ILE A 66 -0.658 3.920 4.054 1.00 0.00 C ATOM 853 CG1 ILE A 66 -0.675 2.453 3.544 1.00 0.00 C ATOM 854 CG2 ILE A 66 0.807 4.322 4.341 1.00 0.00 C ATOM 855 CD1 ILE A 66 -0.244 2.295 2.083 1.00 0.00 C ATOM 0 H ILE A 66 -3.165 3.727 3.986 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.168 3.298 6.016 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.062 4.598 3.303 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.017 1.853 4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.681 2.051 3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.397 4.222 3.430 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.840 5.356 4.683 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.218 3.671 5.113 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.283 1.242 1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.916 2.865 1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.774 2.665 1.962 1.00 0.00 H new ATOM 866 N ALA A 67 -2.220 6.402 5.698 1.00 0.00 N ATOM 867 CA ALA A 67 -2.230 7.705 6.369 1.00 0.00 C ATOM 868 C ALA A 67 -2.732 7.624 7.821 1.00 0.00 C ATOM 869 O ALA A 67 -2.127 8.213 8.726 1.00 0.00 O ATOM 870 CB ALA A 67 -3.079 8.676 5.537 1.00 0.00 C ATOM 0 H ALA A 67 -2.870 6.344 4.914 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.204 8.068 6.435 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.097 9.652 6.023 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.648 8.775 4.541 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.096 8.292 5.456 1.00 0.00 H new ATOM 876 N ALA A 68 -3.820 6.884 8.057 1.00 0.00 N ATOM 877 CA ALA A 68 -4.449 6.740 9.371 1.00 0.00 C ATOM 878 C ALA A 68 -3.594 5.942 10.377 1.00 0.00 C ATOM 879 O ALA A 68 -3.663 6.216 11.577 1.00 0.00 O ATOM 880 CB ALA A 68 -5.823 6.104 9.144 1.00 0.00 C ATOM 0 H ALA A 68 -4.297 6.358 7.324 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.551 7.721 9.834 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.328 5.978 10.102 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.421 6.749 8.500 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.699 5.131 8.668 1.00 0.00 H new ATOM 886 N LEU A 69 -2.746 5.018 9.903 1.00 0.00 N ATOM 887 CA LEU A 69 -1.744 4.292 10.708 1.00 0.00 C ATOM 888 C LEU A 69 -0.583 5.171 11.225 1.00 0.00 C ATOM 889 O LEU A 69 0.223 4.689 12.027 1.00 0.00 O ATOM 890 CB LEU A 69 -1.190 3.130 9.865 1.00 0.00 C ATOM 891 CG LEU A 69 -2.189 1.980 9.637 1.00 0.00 C ATOM 892 CD1 LEU A 69 -1.573 1.018 8.615 1.00 0.00 C ATOM 893 CD2 LEU A 69 -2.530 1.221 10.926 1.00 0.00 C ATOM 0 H LEU A 69 -2.735 4.745 8.920 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.254 3.932 11.602 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.873 3.518 8.897 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.302 2.732 10.355 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.125 2.405 9.274 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.260 0.191 8.433 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.389 1.549 7.681 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.632 0.629 9.003 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.238 0.423 10.702 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.621 0.792 11.347 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.974 1.908 11.646 1.00 0.00 H new ATOM 904 N GLY A 70 -0.487 6.429 10.778 1.00 0.00 N ATOM 905 CA GLY A 70 0.590 7.378 11.112 1.00 0.00 C ATOM 906 C GLY A 70 1.697 7.455 10.056 1.00 0.00 C ATOM 907 O GLY A 70 2.617 8.261 10.188 1.00 0.00 O ATOM 0 H GLY A 70 -1.182 6.832 10.150 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.159 8.370 11.245 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.031 7.091 12.067 1.00 0.00 H new ATOM 911 N TYR A 71 1.603 6.645 9.003 1.00 0.00 N ATOM 912 CA TYR A 71 2.543 6.581 7.878 1.00 0.00 C ATOM 913 C TYR A 71 2.103 7.526 6.732 1.00 0.00 C ATOM 914 O TYR A 71 1.115 8.252 6.879 1.00 0.00 O ATOM 915 CB TYR A 71 2.613 5.101 7.440 1.00 0.00 C ATOM 916 CG TYR A 71 2.869 4.072 8.538 1.00 0.00 C ATOM 917 CD1 TYR A 71 3.714 4.363 9.627 1.00 0.00 C ATOM 918 CD2 TYR A 71 2.246 2.809 8.466 1.00 0.00 C ATOM 919 CE1 TYR A 71 3.929 3.410 10.638 1.00 0.00 C ATOM 920 CE2 TYR A 71 2.462 1.846 9.472 1.00 0.00 C ATOM 921 CZ TYR A 71 3.302 2.147 10.567 1.00 0.00 C ATOM 922 OH TYR A 71 3.505 1.223 11.547 1.00 0.00 O ATOM 0 H TYR A 71 0.834 5.983 8.903 1.00 0.00 H new ATOM 0 HA TYR A 71 3.536 6.925 8.168 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.674 4.847 6.948 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.401 5.004 6.693 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.200 5.326 9.686 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.598 2.578 7.633 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.575 3.645 11.471 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.986 0.879 9.406 1.00 0.00 H new ATOM 0 HH TYR A 71 2.998 0.410 11.341 1.00 0.00 H new ATOM 931 N THR A 72 2.799 7.517 5.582 1.00 0.00 N ATOM 932 CA THR A 72 2.358 8.163 4.321 1.00 0.00 C ATOM 933 C THR A 72 2.982 7.487 3.100 1.00 0.00 C ATOM 934 O THR A 72 4.203 7.463 2.969 1.00 0.00 O ATOM 935 CB THR A 72 2.660 9.672 4.258 1.00 0.00 C ATOM 936 OG1 THR A 72 3.945 9.963 4.762 1.00 0.00 O ATOM 937 CG2 THR A 72 1.634 10.546 4.977 1.00 0.00 C ATOM 0 H THR A 72 3.703 7.053 5.495 1.00 0.00 H new ATOM 0 HA THR A 72 1.275 8.040 4.309 1.00 0.00 H new ATOM 0 HB THR A 72 2.607 9.918 3.197 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.595 9.335 4.384 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.920 11.594 4.885 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.652 10.398 4.529 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.597 10.271 6.031 1.00 0.00 H new ATOM 945 N LEU A 73 2.161 6.953 2.189 1.00 0.00 N ATOM 946 CA LEU A 73 2.648 6.219 1.007 1.00 0.00 C ATOM 947 C LEU A 73 3.281 7.125 -0.068 1.00 0.00 C ATOM 948 O LEU A 73 3.037 8.333 -0.100 1.00 0.00 O ATOM 949 CB LEU A 73 1.538 5.289 0.461 1.00 0.00 C ATOM 950 CG LEU A 73 0.645 5.811 -0.688 1.00 0.00 C ATOM 951 CD1 LEU A 73 -0.391 4.735 -1.038 1.00 0.00 C ATOM 952 CD2 LEU A 73 -0.122 7.094 -0.356 1.00 0.00 C ATOM 0 H LEU A 73 1.144 7.015 2.246 1.00 0.00 H new ATOM 0 HA LEU A 73 3.477 5.589 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.013 4.368 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.887 5.024 1.294 1.00 0.00 H new ATOM 0 HG LEU A 73 1.320 6.038 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.027 5.092 -1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.121 3.826 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.004 4.522 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.723 7.391 -1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.774 6.917 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.585 7.888 -0.115 1.00 0.00 H new ATOM 963 N ALA A 74 4.043 6.532 -0.989 1.00 0.00 N ATOM 964 CA ALA A 74 4.612 7.213 -2.156 1.00 0.00 C ATOM 965 C ALA A 74 4.420 6.373 -3.436 1.00 0.00 C ATOM 966 O ALA A 74 5.354 5.734 -3.929 1.00 0.00 O ATOM 967 CB ALA A 74 6.080 7.544 -1.848 1.00 0.00 C ATOM 0 H ALA A 74 4.288 5.543 -0.944 1.00 0.00 H new ATOM 0 HA ALA A 74 4.089 8.149 -2.353 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.526 8.052 -2.703 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.131 8.193 -0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.627 6.622 -1.648 1.00 0.00 H new ATOM 973 N GLU A 75 3.189 6.370 -3.958 1.00 0.00 N ATOM 974 CA GLU A 75 2.806 5.805 -5.260 1.00 0.00 C ATOM 975 C GLU A 75 2.520 6.996 -6.207 1.00 0.00 C ATOM 976 O GLU A 75 1.484 7.655 -6.050 1.00 0.00 O ATOM 977 CB GLU A 75 1.594 4.872 -5.060 1.00 0.00 C ATOM 978 CG GLU A 75 1.394 3.810 -6.152 1.00 0.00 C ATOM 979 CD GLU A 75 0.726 4.341 -7.419 1.00 0.00 C ATOM 980 OE1 GLU A 75 -0.518 4.292 -7.506 1.00 0.00 O ATOM 981 OE2 GLU A 75 1.429 4.722 -8.387 1.00 0.00 O ATOM 0 H GLU A 75 2.396 6.779 -3.464 1.00 0.00 H new ATOM 0 HA GLU A 75 3.592 5.197 -5.707 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.700 4.366 -4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.693 5.482 -5.001 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.363 3.387 -6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.790 2.997 -5.748 1.00 0.00 H new ATOM 986 N PRO A 76 3.464 7.377 -7.092 1.00 0.00 N ATOM 987 CA PRO A 76 3.586 8.758 -7.578 1.00 0.00 C ATOM 988 C PRO A 76 2.559 9.170 -8.638 1.00 0.00 C ATOM 989 O PRO A 76 2.075 10.320 -8.563 1.00 0.00 O ATOM 990 CB PRO A 76 5.035 8.892 -8.065 1.00 0.00 C ATOM 991 CG PRO A 76 5.415 7.469 -8.464 1.00 0.00 C ATOM 992 CD PRO A 76 4.665 6.625 -7.436 1.00 0.00 C ATOM 0 HA PRO A 76 3.358 9.453 -6.770 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.112 9.579 -8.908 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.687 9.276 -7.281 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.105 7.237 -9.483 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.492 7.307 -8.414 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.409 5.648 -7.846 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.280 6.449 -6.554 1.00 0.00 H new