USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 690 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 77 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 33 MET CE :methyl -101:sc= -2.41 (180deg=-2.8!) USER MOD Set 2.2: A 39 HIS : no HD1:sc= -10.1! C(o=-34!,f=-44!) USER MOD Set 2.3: A 40 ASN : amide:sc= -1.23! C(o=-34!,f=-44!) USER MOD Set 2.4: A 82 CYS SG : rot 37:sc= -4.21! USER MOD Set 2.5: A 85 HIS :FLIP no HD1:sc= -13.2! C(o=-40!,f=-34!) USER MOD Set 2.6: A 90 MET CE :methyl 134:sc= -3.19 (180deg=-1.06) USER MOD Set 3.1: A 28 THR OG1 : rot -111:sc= 0.904 USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0.265 USER MOD Single : A 2 SER OG : rot 27:sc= 0.061 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -121:sc= -0.0431 (180deg=-0.417) USER MOD Single : A 9 THR OG1 : rot -131:sc= -2.24! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -157:sc= 0.297 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -9.02! C(o=-9!,f=-21!) USER MOD Single : A 35 LYS NZ :NH3+ 169:sc= -0.233 (180deg=-0.289) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 14:sc= 0.481 USER MOD Single : A 56 SER OG : rot -78:sc= 0.712 USER MOD Single : A 57 ASN : amide:sc= -0.342 K(o=-0.34,f=-2.5!) USER MOD Single : A 58 THR OG1 : rot -48:sc= 0.767 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 38:sc= 0.851 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.0149 USER MOD Single : A 69 SER OG : rot 166:sc= -1.66! USER MOD Single : A 74 THR OG1 : rot 180:sc=0.000642 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot -104:sc= 0.161 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.362 USER MOD ----------------------------------------------------------------- ATOM 11 N SER A 2 -11.383 -8.954 -2.550 1.00 0.00 N ATOM 12 CA SER A 2 -11.418 -7.719 -3.315 1.00 0.00 C ATOM 13 C SER A 2 -11.426 -6.516 -2.368 1.00 0.00 C ATOM 14 O SER A 2 -12.484 -5.963 -2.071 1.00 0.00 O ATOM 15 CB SER A 2 -12.638 -7.676 -4.238 1.00 0.00 C ATOM 16 OG SER A 2 -12.682 -8.797 -5.116 1.00 0.00 O ATOM 0 HA SER A 2 -10.524 -7.678 -3.937 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.547 -7.650 -3.637 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.617 -6.757 -4.824 1.00 0.00 H new ATOM 0 HG SER A 2 -12.220 -9.556 -4.701 1.00 0.00 H new ATOM 22 N VAL A 3 -10.235 -6.148 -1.922 1.00 0.00 N ATOM 23 CA VAL A 3 -10.092 -5.021 -1.015 1.00 0.00 C ATOM 24 C VAL A 3 -9.362 -3.883 -1.734 1.00 0.00 C ATOM 25 O VAL A 3 -8.952 -4.032 -2.884 1.00 0.00 O ATOM 26 CB VAL A 3 -9.386 -5.467 0.267 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.372 -6.129 1.232 1.00 0.00 C ATOM 28 CG2 VAL A 3 -8.216 -6.402 -0.048 1.00 0.00 C ATOM 0 H VAL A 3 -9.360 -6.609 -2.171 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.070 -4.644 -0.717 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.983 -4.579 0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.846 -6.437 2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.157 -5.420 1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.817 -7.003 0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.732 -6.704 0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.586 -7.285 -0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.496 -5.883 -0.681 1.00 0.00 H new ATOM 38 N GLN A 4 -9.222 -2.773 -1.024 1.00 0.00 N ATOM 39 CA GLN A 4 -8.550 -1.611 -1.580 1.00 0.00 C ATOM 40 C GLN A 4 -7.760 -0.883 -0.490 1.00 0.00 C ATOM 41 O GLN A 4 -8.025 -1.062 0.698 1.00 0.00 O ATOM 42 CB GLN A 4 -9.549 -0.669 -2.254 1.00 0.00 C ATOM 43 CG GLN A 4 -10.756 -0.411 -1.349 1.00 0.00 C ATOM 44 CD GLN A 4 -11.913 0.203 -2.141 1.00 0.00 C ATOM 45 OE1 GLN A 4 -11.737 0.776 -3.203 1.00 0.00 O ATOM 46 NE2 GLN A 4 -13.103 0.050 -1.565 1.00 0.00 N ATOM 0 H GLN A 4 -9.562 -2.654 -0.070 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.851 -1.951 -2.343 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.060 0.276 -2.492 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.883 -1.102 -3.197 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.079 -1.346 -0.892 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.470 0.258 -0.537 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -13.179 -0.441 -0.674 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.939 0.424 -2.014 1.00 0.00 H new ATOM 55 N ILE A 5 -6.806 -0.077 -0.932 1.00 0.00 N ATOM 56 CA ILE A 5 -5.975 0.678 -0.009 1.00 0.00 C ATOM 57 C ILE A 5 -6.030 2.162 -0.379 1.00 0.00 C ATOM 58 O ILE A 5 -5.645 2.543 -1.484 1.00 0.00 O ATOM 59 CB ILE A 5 -4.559 0.104 0.030 1.00 0.00 C ATOM 60 CG1 ILE A 5 -4.503 -1.164 0.884 1.00 0.00 C ATOM 61 CG2 ILE A 5 -3.553 1.157 0.500 1.00 0.00 C ATOM 62 CD1 ILE A 5 -4.753 -0.842 2.359 1.00 0.00 C ATOM 0 H ILE A 5 -6.590 0.070 -1.918 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.356 0.589 1.008 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.278 -0.180 -0.984 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.248 -1.877 0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.529 -1.640 0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.554 0.723 0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.567 2.005 -0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.821 1.495 1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.708 -1.760 2.945 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.992 -0.147 2.714 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.738 -0.389 2.471 1.00 0.00 H new ATOM 74 N LYS A 6 -6.508 2.958 0.566 1.00 0.00 N ATOM 75 CA LYS A 6 -6.617 4.390 0.352 1.00 0.00 C ATOM 76 C LYS A 6 -5.428 5.091 1.015 1.00 0.00 C ATOM 77 O LYS A 6 -5.144 4.865 2.189 1.00 0.00 O ATOM 78 CB LYS A 6 -7.977 4.902 0.832 1.00 0.00 C ATOM 79 CG LYS A 6 -8.938 5.088 -0.344 1.00 0.00 C ATOM 80 CD LYS A 6 -10.322 5.523 0.143 1.00 0.00 C ATOM 81 CE LYS A 6 -10.912 6.597 -0.772 1.00 0.00 C ATOM 82 NZ LYS A 6 -12.038 6.046 -1.559 1.00 0.00 N ATOM 0 H LYS A 6 -6.824 2.638 1.481 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.573 4.621 -0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.403 4.198 1.547 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.849 5.850 1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.539 5.835 -1.030 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.021 4.155 -0.901 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.988 4.661 0.174 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.249 5.907 1.161 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.256 7.442 -0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.141 6.974 -1.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.427 6.788 -2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.699 5.254 -2.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.780 5.708 -0.914 1.00 0.00 H new ATOM 96 N MET A 7 -4.765 5.929 0.231 1.00 0.00 N ATOM 97 CA MET A 7 -3.614 6.665 0.726 1.00 0.00 C ATOM 98 C MET A 7 -4.000 8.094 1.108 1.00 0.00 C ATOM 99 O MET A 7 -4.169 8.949 0.240 1.00 0.00 O ATOM 100 CB MET A 7 -2.528 6.699 -0.352 1.00 0.00 C ATOM 101 CG MET A 7 -1.657 5.443 -0.294 1.00 0.00 C ATOM 102 SD MET A 7 -0.439 5.484 -1.599 1.00 0.00 S ATOM 103 CE MET A 7 -1.475 5.106 -3.002 1.00 0.00 C ATOM 0 H MET A 7 -5.003 6.114 -0.743 1.00 0.00 H new ATOM 0 HA MET A 7 -3.239 6.161 1.616 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.990 6.780 -1.336 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.906 7.584 -0.218 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.162 5.378 0.675 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.279 4.554 -0.394 1.00 0.00 H new ATOM 0 HE1 MET A 7 -1.111 4.202 -3.490 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.500 4.949 -2.666 1.00 0.00 H new ATOM 0 HE3 MET A 7 -1.448 5.936 -3.708 1.00 0.00 H new ATOM 113 N GLY A 8 -4.128 8.311 2.409 1.00 0.00 N ATOM 114 CA GLY A 8 -4.490 9.623 2.918 1.00 0.00 C ATOM 115 C GLY A 8 -5.938 9.637 3.414 1.00 0.00 C ATOM 116 O GLY A 8 -6.793 8.944 2.866 1.00 0.00 O ATOM 0 H GLY A 8 -3.987 7.600 3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.820 9.899 3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.363 10.369 2.134 1.00 0.00 H new ATOM 120 N THR A 9 -6.168 10.435 4.447 1.00 0.00 N ATOM 121 CA THR A 9 -7.497 10.550 5.023 1.00 0.00 C ATOM 122 C THR A 9 -8.091 11.926 4.723 1.00 0.00 C ATOM 123 O THR A 9 -7.373 12.846 4.335 1.00 0.00 O ATOM 124 CB THR A 9 -7.391 10.246 6.519 1.00 0.00 C ATOM 125 OG1 THR A 9 -6.117 10.764 6.888 1.00 0.00 O ATOM 126 CG2 THR A 9 -7.281 8.747 6.805 1.00 0.00 C ATOM 0 H THR A 9 -5.456 11.008 4.900 1.00 0.00 H new ATOM 0 HA THR A 9 -8.185 9.831 4.578 1.00 0.00 H new ATOM 0 HB THR A 9 -8.262 10.651 7.035 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.625 10.088 7.399 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.208 8.586 7.881 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.165 8.237 6.421 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.391 8.348 6.318 1.00 0.00 H new ATOM 134 N ASP A 10 -9.399 12.026 4.915 1.00 0.00 N ATOM 135 CA ASP A 10 -10.099 13.275 4.671 1.00 0.00 C ATOM 136 C ASP A 10 -9.581 14.343 5.637 1.00 0.00 C ATOM 137 O ASP A 10 -9.856 15.529 5.462 1.00 0.00 O ATOM 138 CB ASP A 10 -11.603 13.118 4.900 1.00 0.00 C ATOM 139 CG ASP A 10 -12.481 14.115 4.140 1.00 0.00 C ATOM 140 OD1 ASP A 10 -12.245 14.265 2.922 1.00 0.00 O ATOM 141 OD2 ASP A 10 -13.368 14.704 4.795 1.00 0.00 O ATOM 0 H ASP A 10 -9.992 11.261 5.237 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.921 13.564 3.635 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.895 12.108 4.614 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.805 13.218 5.966 1.00 0.00 H new ATOM 146 N LYS A 11 -8.841 13.883 6.635 1.00 0.00 N ATOM 147 CA LYS A 11 -8.283 14.783 7.629 1.00 0.00 C ATOM 148 C LYS A 11 -6.895 15.239 7.175 1.00 0.00 C ATOM 149 O LYS A 11 -5.986 15.379 7.991 1.00 0.00 O ATOM 150 CB LYS A 11 -8.294 14.128 9.011 1.00 0.00 C ATOM 151 CG LYS A 11 -9.549 14.518 9.794 1.00 0.00 C ATOM 152 CD LYS A 11 -10.065 13.341 10.623 1.00 0.00 C ATOM 153 CE LYS A 11 -11.549 13.513 10.955 1.00 0.00 C ATOM 154 NZ LYS A 11 -12.331 12.364 10.446 1.00 0.00 N ATOM 0 H LYS A 11 -8.615 12.898 6.776 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.899 15.678 7.722 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.250 13.044 8.904 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.406 14.429 9.567 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.326 15.359 10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.325 14.849 9.103 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.917 12.412 10.073 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.489 13.261 11.545 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.679 13.599 12.034 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.921 14.438 10.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.336 12.497 10.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.221 12.299 9.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.986 11.487 10.886 1.00 0.00 H new ATOM 168 N TYR A 12 -6.774 15.459 5.874 1.00 0.00 N ATOM 169 CA TYR A 12 -5.512 15.896 5.302 1.00 0.00 C ATOM 170 C TYR A 12 -4.332 15.199 5.980 1.00 0.00 C ATOM 171 O TYR A 12 -3.238 15.756 6.058 1.00 0.00 O ATOM 172 CB TYR A 12 -5.425 17.399 5.572 1.00 0.00 C ATOM 173 CG TYR A 12 -5.538 18.265 4.315 1.00 0.00 C ATOM 174 CD1 TYR A 12 -6.628 18.128 3.479 1.00 0.00 C ATOM 175 CD2 TYR A 12 -4.551 19.182 4.017 1.00 0.00 C ATOM 176 CE1 TYR A 12 -6.734 18.942 2.296 1.00 0.00 C ATOM 177 CE2 TYR A 12 -4.658 19.996 2.835 1.00 0.00 C ATOM 178 CZ TYR A 12 -5.744 19.837 2.032 1.00 0.00 C ATOM 179 OH TYR A 12 -5.845 20.606 0.916 1.00 0.00 O ATOM 0 H TYR A 12 -7.530 15.343 5.199 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.470 15.659 4.239 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -6.217 17.679 6.266 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.477 17.615 6.065 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.401 17.411 3.712 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.698 19.289 4.671 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -7.581 18.844 1.633 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.892 20.718 2.591 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.067 21.199 0.856 1.00 0.00 H new ATOM 189 N ALA A 13 -4.593 13.989 6.455 1.00 0.00 N ATOM 190 CA ALA A 13 -3.565 13.210 7.125 1.00 0.00 C ATOM 191 C ALA A 13 -3.037 12.140 6.167 1.00 0.00 C ATOM 192 O ALA A 13 -3.778 11.250 5.756 1.00 0.00 O ATOM 193 CB ALA A 13 -4.137 12.609 8.411 1.00 0.00 C ATOM 0 H ALA A 13 -5.501 13.529 6.389 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.725 13.845 7.407 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.366 12.025 8.914 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.472 13.410 9.069 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.981 11.963 8.167 1.00 0.00 H new ATOM 199 N PRO A 14 -1.725 12.268 5.831 1.00 0.00 N ATOM 200 CA PRO A 14 -1.089 11.323 4.929 1.00 0.00 C ATOM 201 C PRO A 14 -0.815 9.993 5.633 1.00 0.00 C ATOM 202 O PRO A 14 0.277 9.776 6.156 1.00 0.00 O ATOM 203 CB PRO A 14 0.179 12.019 4.461 1.00 0.00 C ATOM 204 CG PRO A 14 0.443 13.127 5.468 1.00 0.00 C ATOM 205 CD PRO A 14 -0.816 13.311 6.299 1.00 0.00 C ATOM 0 HA PRO A 14 -1.721 11.061 4.080 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.015 11.321 4.420 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.054 12.425 3.457 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.288 12.869 6.107 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.702 14.054 4.956 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.607 13.205 7.364 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.244 14.303 6.155 1.00 0.00 H new ATOM 213 N LEU A 15 -1.825 9.135 5.622 1.00 0.00 N ATOM 214 CA LEU A 15 -1.708 7.832 6.254 1.00 0.00 C ATOM 215 C LEU A 15 -2.482 6.800 5.431 1.00 0.00 C ATOM 216 O LEU A 15 -3.444 7.143 4.745 1.00 0.00 O ATOM 217 CB LEU A 15 -2.144 7.904 7.718 1.00 0.00 C ATOM 218 CG LEU A 15 -3.589 8.340 7.967 1.00 0.00 C ATOM 219 CD1 LEU A 15 -4.476 7.137 8.294 1.00 0.00 C ATOM 220 CD2 LEU A 15 -3.658 9.416 9.053 1.00 0.00 C ATOM 0 H LEU A 15 -2.728 9.317 5.185 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.667 7.510 6.273 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.999 6.922 8.168 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.482 8.595 8.240 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.975 8.784 7.049 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.498 7.475 8.467 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.461 6.437 7.459 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.101 6.642 9.190 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.696 9.708 9.210 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.247 9.022 9.982 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.080 10.286 8.741 1.00 0.00 H new ATOM 232 N TYR A 16 -2.034 5.557 5.527 1.00 0.00 N ATOM 233 CA TYR A 16 -2.674 4.473 4.802 1.00 0.00 C ATOM 234 C TYR A 16 -3.991 4.070 5.466 1.00 0.00 C ATOM 235 O TYR A 16 -4.080 4.011 6.692 1.00 0.00 O ATOM 236 CB TYR A 16 -1.702 3.293 4.864 1.00 0.00 C ATOM 237 CG TYR A 16 -0.676 3.271 3.729 1.00 0.00 C ATOM 238 CD1 TYR A 16 -1.093 3.396 2.420 1.00 0.00 C ATOM 239 CD2 TYR A 16 0.666 3.125 4.015 1.00 0.00 C ATOM 240 CE1 TYR A 16 -0.127 3.375 1.352 1.00 0.00 C ATOM 241 CE2 TYR A 16 1.632 3.104 2.947 1.00 0.00 C ATOM 242 CZ TYR A 16 1.187 3.230 1.668 1.00 0.00 C ATOM 243 OH TYR A 16 2.099 3.210 0.659 1.00 0.00 O ATOM 0 H TYR A 16 -1.235 5.276 6.096 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.899 4.776 3.779 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.174 3.321 5.817 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.272 2.364 4.842 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.143 3.510 2.196 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.992 3.026 5.040 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.440 3.472 0.323 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.685 2.991 3.157 1.00 0.00 H new ATOM 0 HH TYR A 16 2.911 2.751 0.961 1.00 0.00 H new ATOM 253 N GLU A 17 -4.982 3.801 4.629 1.00 0.00 N ATOM 254 CA GLU A 17 -6.291 3.405 5.120 1.00 0.00 C ATOM 255 C GLU A 17 -6.917 2.368 4.186 1.00 0.00 C ATOM 256 O GLU A 17 -7.022 2.597 2.981 1.00 0.00 O ATOM 257 CB GLU A 17 -7.206 4.621 5.283 1.00 0.00 C ATOM 258 CG GLU A 17 -8.393 4.295 6.193 1.00 0.00 C ATOM 259 CD GLU A 17 -9.163 5.564 6.564 1.00 0.00 C ATOM 260 OE1 GLU A 17 -8.728 6.229 7.530 1.00 0.00 O ATOM 261 OE2 GLU A 17 -10.168 5.840 5.875 1.00 0.00 O ATOM 0 H GLU A 17 -4.905 3.850 3.613 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.167 2.951 6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.640 5.453 5.701 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.569 4.941 4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.060 3.594 5.690 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.038 3.803 7.098 1.00 0.00 H new ATOM 268 N PRO A 18 -7.326 1.222 4.791 1.00 0.00 N ATOM 269 CA PRO A 18 -7.165 1.032 6.222 1.00 0.00 C ATOM 270 C PRO A 18 -5.705 0.738 6.575 1.00 0.00 C ATOM 271 O PRO A 18 -4.881 0.519 5.688 1.00 0.00 O ATOM 272 CB PRO A 18 -8.103 -0.110 6.576 1.00 0.00 C ATOM 273 CG PRO A 18 -8.405 -0.822 5.268 1.00 0.00 C ATOM 274 CD PRO A 18 -7.952 0.079 4.132 1.00 0.00 C ATOM 0 HA PRO A 18 -7.413 1.925 6.795 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.639 -0.789 7.292 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.017 0.264 7.037 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.886 -1.780 5.226 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.471 -1.033 5.186 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.248 -0.434 3.476 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.794 0.391 3.514 1.00 0.00 H new ATOM 282 N LYS A 19 -5.429 0.742 7.871 1.00 0.00 N ATOM 283 CA LYS A 19 -4.084 0.479 8.351 1.00 0.00 C ATOM 284 C LYS A 19 -3.788 -1.017 8.229 1.00 0.00 C ATOM 285 O LYS A 19 -2.673 -1.407 7.883 1.00 0.00 O ATOM 286 CB LYS A 19 -3.904 1.028 9.767 1.00 0.00 C ATOM 287 CG LYS A 19 -2.641 1.888 9.865 1.00 0.00 C ATOM 288 CD LYS A 19 -2.548 2.570 11.232 1.00 0.00 C ATOM 289 CE LYS A 19 -1.089 2.732 11.665 1.00 0.00 C ATOM 290 NZ LYS A 19 -0.913 3.982 12.437 1.00 0.00 N ATOM 0 H LYS A 19 -6.115 0.923 8.604 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.351 1.001 7.736 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.775 1.622 10.044 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.842 0.202 10.476 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.760 1.267 9.704 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.648 2.642 9.078 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.029 3.547 11.189 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.088 1.982 11.974 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.786 1.878 12.271 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.442 2.745 10.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.082 4.076 12.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.182 4.795 11.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.515 3.954 13.284 1.00 0.00 H new ATOM 304 N ALA A 20 -4.804 -1.815 8.521 1.00 0.00 N ATOM 305 CA ALA A 20 -4.667 -3.260 8.449 1.00 0.00 C ATOM 306 C ALA A 20 -5.660 -3.811 7.423 1.00 0.00 C ATOM 307 O ALA A 20 -6.772 -3.303 7.296 1.00 0.00 O ATOM 308 CB ALA A 20 -4.870 -3.863 9.840 1.00 0.00 C ATOM 0 H ALA A 20 -5.727 -1.488 8.808 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.665 -3.535 8.119 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.767 -4.947 9.785 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.122 -3.462 10.523 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.866 -3.611 10.204 1.00 0.00 H new ATOM 314 N LEU A 21 -5.220 -4.844 6.718 1.00 0.00 N ATOM 315 CA LEU A 21 -6.057 -5.469 5.708 1.00 0.00 C ATOM 316 C LEU A 21 -5.806 -6.979 5.708 1.00 0.00 C ATOM 317 O LEU A 21 -4.675 -7.424 5.896 1.00 0.00 O ATOM 318 CB LEU A 21 -5.835 -4.810 4.345 1.00 0.00 C ATOM 319 CG LEU A 21 -6.257 -5.632 3.126 1.00 0.00 C ATOM 320 CD1 LEU A 21 -7.755 -5.939 3.162 1.00 0.00 C ATOM 321 CD2 LEU A 21 -5.844 -4.937 1.827 1.00 0.00 C ATOM 0 H LEU A 21 -4.296 -5.263 6.826 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.111 -5.319 5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.379 -3.865 4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.776 -4.570 4.248 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.733 -6.587 3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.028 -6.524 2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.989 -6.506 4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.318 -5.006 3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.156 -5.542 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.321 -3.958 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.761 -4.815 1.808 1.00 0.00 H new ATOM 333 N SER A 22 -6.881 -7.725 5.497 1.00 0.00 N ATOM 334 CA SER A 22 -6.791 -9.175 5.471 1.00 0.00 C ATOM 335 C SER A 22 -7.525 -9.722 4.244 1.00 0.00 C ATOM 336 O SER A 22 -8.552 -9.183 3.840 1.00 0.00 O ATOM 337 CB SER A 22 -7.368 -9.785 6.750 1.00 0.00 C ATOM 338 OG SER A 22 -6.972 -11.144 6.918 1.00 0.00 O ATOM 0 H SER A 22 -7.818 -7.353 5.343 1.00 0.00 H new ATOM 0 HA SER A 22 -5.739 -9.452 5.411 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.039 -9.202 7.610 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.456 -9.725 6.722 1.00 0.00 H new ATOM 0 HG SER A 22 -7.359 -11.497 7.746 1.00 0.00 H new ATOM 344 N ILE A 23 -6.966 -10.787 3.688 1.00 0.00 N ATOM 345 CA ILE A 23 -7.554 -11.413 2.515 1.00 0.00 C ATOM 346 C ILE A 23 -7.156 -12.890 2.478 1.00 0.00 C ATOM 347 O ILE A 23 -6.498 -13.383 3.392 1.00 0.00 O ATOM 348 CB ILE A 23 -7.176 -10.643 1.250 1.00 0.00 C ATOM 349 CG1 ILE A 23 -5.686 -10.796 0.939 1.00 0.00 C ATOM 350 CG2 ILE A 23 -7.591 -9.174 1.357 1.00 0.00 C ATOM 351 CD1 ILE A 23 -5.405 -10.542 -0.543 1.00 0.00 C ATOM 0 H ILE A 23 -6.113 -11.232 4.027 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.642 -11.376 2.569 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.725 -11.073 0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.111 -10.097 1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.356 -11.799 1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.310 -8.649 0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.670 -9.110 1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.088 -8.715 2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.338 -10.657 -0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.963 -11.258 -1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.713 -9.530 -0.803 1.00 0.00 H new ATOM 363 N SER A 24 -7.573 -13.556 1.412 1.00 0.00 N ATOM 364 CA SER A 24 -7.269 -14.967 1.243 1.00 0.00 C ATOM 365 C SER A 24 -6.417 -15.172 -0.011 1.00 0.00 C ATOM 366 O SER A 24 -6.266 -14.257 -0.819 1.00 0.00 O ATOM 367 CB SER A 24 -8.549 -15.801 1.158 1.00 0.00 C ATOM 368 OG SER A 24 -9.475 -15.465 2.189 1.00 0.00 O ATOM 0 H SER A 24 -8.120 -13.144 0.656 1.00 0.00 H new ATOM 0 HA SER A 24 -6.707 -15.302 2.115 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.018 -15.648 0.186 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.297 -16.859 1.227 1.00 0.00 H new ATOM 0 HG SER A 24 -10.279 -16.018 2.099 1.00 0.00 H new ATOM 374 N ALA A 25 -5.883 -16.378 -0.134 1.00 0.00 N ATOM 375 CA ALA A 25 -5.051 -16.716 -1.276 1.00 0.00 C ATOM 376 C ALA A 25 -5.907 -16.717 -2.544 1.00 0.00 C ATOM 377 O ALA A 25 -6.669 -17.652 -2.782 1.00 0.00 O ATOM 378 CB ALA A 25 -4.370 -18.064 -1.032 1.00 0.00 C ATOM 0 H ALA A 25 -6.010 -17.134 0.539 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.265 -15.973 -1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.746 -18.317 -1.889 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.750 -18.002 -0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.128 -18.835 -0.895 1.00 0.00 H new ATOM 384 N GLY A 26 -5.754 -15.657 -3.324 1.00 0.00 N ATOM 385 CA GLY A 26 -6.503 -15.524 -4.562 1.00 0.00 C ATOM 386 C GLY A 26 -7.271 -14.201 -4.598 1.00 0.00 C ATOM 387 O GLY A 26 -7.861 -13.849 -5.618 1.00 0.00 O ATOM 0 H GLY A 26 -5.122 -14.882 -3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.822 -15.576 -5.411 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.200 -16.356 -4.661 1.00 0.00 H new ATOM 391 N ASP A 27 -7.240 -13.504 -3.471 1.00 0.00 N ATOM 392 CA ASP A 27 -7.925 -12.228 -3.361 1.00 0.00 C ATOM 393 C ASP A 27 -7.086 -11.143 -4.040 1.00 0.00 C ATOM 394 O ASP A 27 -5.972 -11.406 -4.491 1.00 0.00 O ATOM 395 CB ASP A 27 -8.117 -11.830 -1.896 1.00 0.00 C ATOM 396 CG ASP A 27 -9.326 -12.466 -1.207 1.00 0.00 C ATOM 397 OD1 ASP A 27 -9.893 -13.406 -1.807 1.00 0.00 O ATOM 398 OD2 ASP A 27 -9.658 -11.998 -0.097 1.00 0.00 O ATOM 0 H ASP A 27 -6.751 -13.800 -2.626 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.900 -12.327 -3.838 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.218 -12.099 -1.341 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.214 -10.746 -1.839 1.00 0.00 H new ATOM 403 N THR A 28 -7.652 -9.945 -4.089 1.00 0.00 N ATOM 404 CA THR A 28 -6.969 -8.821 -4.704 1.00 0.00 C ATOM 405 C THR A 28 -6.935 -7.629 -3.744 1.00 0.00 C ATOM 406 O THR A 28 -7.746 -7.544 -2.824 1.00 0.00 O ATOM 407 CB THR A 28 -7.666 -8.512 -6.030 1.00 0.00 C ATOM 408 OG1 THR A 28 -7.671 -9.760 -6.719 1.00 0.00 O ATOM 409 CG2 THR A 28 -6.836 -7.594 -6.929 1.00 0.00 C ATOM 0 H THR A 28 -8.575 -9.730 -3.713 1.00 0.00 H new ATOM 0 HA THR A 28 -5.927 -9.059 -4.916 1.00 0.00 H new ATOM 0 HB THR A 28 -8.632 -8.048 -5.832 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.071 -9.709 -7.492 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.377 -7.407 -7.857 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.656 -6.649 -6.417 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.882 -8.071 -7.155 1.00 0.00 H new ATOM 417 N VAL A 29 -5.986 -6.738 -3.993 1.00 0.00 N ATOM 418 CA VAL A 29 -5.835 -5.555 -3.162 1.00 0.00 C ATOM 419 C VAL A 29 -5.596 -4.336 -4.057 1.00 0.00 C ATOM 420 O VAL A 29 -4.548 -4.224 -4.691 1.00 0.00 O ATOM 421 CB VAL A 29 -4.719 -5.773 -2.139 1.00 0.00 C ATOM 422 CG1 VAL A 29 -4.375 -4.469 -1.417 1.00 0.00 C ATOM 423 CG2 VAL A 29 -5.098 -6.869 -1.140 1.00 0.00 C ATOM 0 H VAL A 29 -5.315 -6.811 -4.757 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.746 -5.368 -2.594 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.830 -6.102 -2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.579 -4.652 -0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.043 -3.727 -2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.258 -4.097 -0.897 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.288 -7.004 -0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.006 -6.581 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.271 -7.804 -1.673 1.00 0.00 H new ATOM 433 N GLU A 30 -6.585 -3.455 -4.078 1.00 0.00 N ATOM 434 CA GLU A 30 -6.495 -2.250 -4.884 1.00 0.00 C ATOM 435 C GLU A 30 -5.818 -1.130 -4.091 1.00 0.00 C ATOM 436 O GLU A 30 -5.658 -1.234 -2.876 1.00 0.00 O ATOM 437 CB GLU A 30 -7.877 -1.814 -5.375 1.00 0.00 C ATOM 438 CG GLU A 30 -7.760 -0.787 -6.503 1.00 0.00 C ATOM 439 CD GLU A 30 -8.968 -0.860 -7.440 1.00 0.00 C ATOM 440 OE1 GLU A 30 -9.451 -1.993 -7.656 1.00 0.00 O ATOM 441 OE2 GLU A 30 -9.381 0.218 -7.918 1.00 0.00 O ATOM 0 H GLU A 30 -7.452 -3.552 -3.550 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.886 -2.468 -5.761 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.433 -2.683 -5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.443 -1.387 -4.547 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.683 0.215 -6.081 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.845 -0.966 -7.069 1.00 0.00 H new ATOM 448 N PHE A 31 -5.439 -0.084 -4.810 1.00 0.00 N ATOM 449 CA PHE A 31 -4.782 1.053 -4.189 1.00 0.00 C ATOM 450 C PHE A 31 -5.190 2.362 -4.870 1.00 0.00 C ATOM 451 O PHE A 31 -5.149 2.467 -6.095 1.00 0.00 O ATOM 452 CB PHE A 31 -3.276 0.851 -4.363 1.00 0.00 C ATOM 453 CG PHE A 31 -2.687 -0.238 -3.463 1.00 0.00 C ATOM 454 CD1 PHE A 31 -2.730 -1.540 -3.853 1.00 0.00 C ATOM 455 CD2 PHE A 31 -2.122 0.097 -2.273 1.00 0.00 C ATOM 456 CE1 PHE A 31 -2.182 -2.550 -3.018 1.00 0.00 C ATOM 457 CE2 PHE A 31 -1.574 -0.913 -1.438 1.00 0.00 C ATOM 458 CZ PHE A 31 -1.617 -2.215 -1.829 1.00 0.00 C ATOM 0 H PHE A 31 -5.575 -0.000 -5.817 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.065 1.117 -3.138 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.071 0.598 -5.403 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.767 1.793 -4.157 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.181 -1.806 -4.798 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.090 1.131 -1.962 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.215 -3.584 -3.328 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.123 -0.647 -0.493 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.202 -2.983 -1.194 1.00 0.00 H new ATOM 468 N VAL A 32 -5.576 3.325 -4.047 1.00 0.00 N ATOM 469 CA VAL A 32 -5.991 4.622 -4.555 1.00 0.00 C ATOM 470 C VAL A 32 -5.388 5.723 -3.682 1.00 0.00 C ATOM 471 O VAL A 32 -5.054 5.488 -2.521 1.00 0.00 O ATOM 472 CB VAL A 32 -7.518 4.689 -4.632 1.00 0.00 C ATOM 473 CG1 VAL A 32 -8.124 4.965 -3.255 1.00 0.00 C ATOM 474 CG2 VAL A 32 -7.970 5.737 -5.651 1.00 0.00 C ATOM 0 H VAL A 32 -5.610 3.234 -3.032 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.621 4.772 -5.569 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.880 3.717 -4.968 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.210 5.008 -3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.843 4.167 -2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.751 5.917 -2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.059 5.764 -5.686 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.592 6.716 -5.358 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.582 5.478 -6.636 1.00 0.00 H new ATOM 484 N MET A 33 -5.265 6.903 -4.273 1.00 0.00 N ATOM 485 CA MET A 33 -4.708 8.042 -3.563 1.00 0.00 C ATOM 486 C MET A 33 -5.816 8.972 -3.064 1.00 0.00 C ATOM 487 O MET A 33 -6.393 9.730 -3.841 1.00 0.00 O ATOM 488 CB MET A 33 -3.773 8.816 -4.495 1.00 0.00 C ATOM 489 CG MET A 33 -2.344 8.831 -3.947 1.00 0.00 C ATOM 490 SD MET A 33 -1.634 10.458 -4.139 1.00 0.00 S ATOM 491 CE MET A 33 -2.880 11.438 -3.321 1.00 0.00 C ATOM 0 H MET A 33 -5.542 7.095 -5.236 1.00 0.00 H new ATOM 0 HA MET A 33 -4.153 7.673 -2.700 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.782 8.361 -5.485 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.133 9.838 -4.611 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.346 8.548 -2.894 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.736 8.095 -4.473 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.519 11.910 -4.067 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.484 10.797 -2.679 1.00 0.00 H new ATOM 0 HE3 MET A 33 -2.399 12.207 -2.716 1.00 0.00 H new ATOM 501 N ASN A 34 -6.079 8.885 -1.768 1.00 0.00 N ATOM 502 CA ASN A 34 -7.106 9.708 -1.155 1.00 0.00 C ATOM 503 C ASN A 34 -6.770 11.185 -1.377 1.00 0.00 C ATOM 504 O ASN A 34 -7.444 11.870 -2.144 1.00 0.00 O ATOM 505 CB ASN A 34 -7.184 9.462 0.353 1.00 0.00 C ATOM 506 CG ASN A 34 -8.461 8.705 0.719 1.00 0.00 C ATOM 507 OD1 ASN A 34 -8.738 7.625 0.224 1.00 0.00 O ATOM 508 ND2 ASN A 34 -9.222 9.331 1.614 1.00 0.00 N ATOM 0 H ASN A 34 -5.597 8.256 -1.126 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.061 9.449 -1.611 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.313 8.892 0.678 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.157 10.414 0.882 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.096 8.908 1.925 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.931 10.234 1.989 1.00 0.00 H new ATOM 515 N LYS A 35 -5.727 11.630 -0.691 1.00 0.00 N ATOM 516 CA LYS A 35 -5.293 13.012 -0.803 1.00 0.00 C ATOM 517 C LYS A 35 -3.985 13.195 -0.032 1.00 0.00 C ATOM 518 O LYS A 35 -3.297 12.220 0.272 1.00 0.00 O ATOM 519 CB LYS A 35 -6.407 13.961 -0.359 1.00 0.00 C ATOM 520 CG LYS A 35 -6.489 14.034 1.167 1.00 0.00 C ATOM 521 CD LYS A 35 -7.931 13.864 1.648 1.00 0.00 C ATOM 522 CE LYS A 35 -8.372 15.062 2.492 1.00 0.00 C ATOM 523 NZ LYS A 35 -9.732 15.497 2.104 1.00 0.00 N ATOM 0 H LYS A 35 -5.170 11.058 -0.056 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.088 13.264 -1.843 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.225 14.956 -0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.361 13.622 -0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.862 13.258 1.606 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.098 14.992 1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.594 13.755 0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.017 12.950 2.235 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.357 14.795 3.549 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.669 15.885 2.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.090 16.181 2.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.699 15.944 1.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.365 14.672 2.073 1.00 0.00 H new ATOM 537 N VAL A 36 -3.679 14.450 0.264 1.00 0.00 N ATOM 538 CA VAL A 36 -2.466 14.774 0.994 1.00 0.00 C ATOM 539 C VAL A 36 -1.286 14.023 0.372 1.00 0.00 C ATOM 540 O VAL A 36 -0.458 13.459 1.086 1.00 0.00 O ATOM 541 CB VAL A 36 -2.652 14.465 2.481 1.00 0.00 C ATOM 542 CG1 VAL A 36 -2.833 12.964 2.712 1.00 0.00 C ATOM 543 CG2 VAL A 36 -1.483 15.010 3.304 1.00 0.00 C ATOM 0 H VAL A 36 -4.252 15.255 0.011 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.250 15.840 0.921 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.560 14.966 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.963 12.773 3.777 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.713 12.616 2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.952 12.432 2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.640 14.777 4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.554 14.551 2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.421 16.091 3.177 1.00 0.00 H new ATOM 553 N GLY A 37 -1.247 14.040 -0.952 1.00 0.00 N ATOM 554 CA GLY A 37 -0.183 13.368 -1.679 1.00 0.00 C ATOM 555 C GLY A 37 0.998 14.311 -1.919 1.00 0.00 C ATOM 556 O GLY A 37 1.121 15.338 -1.253 1.00 0.00 O ATOM 0 H GLY A 37 -1.935 14.509 -1.541 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.152 12.496 -1.117 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.563 13.005 -2.634 1.00 0.00 H new ATOM 560 N PRO A 38 1.858 13.918 -2.895 1.00 0.00 N ATOM 561 CA PRO A 38 1.639 12.686 -3.635 1.00 0.00 C ATOM 562 C PRO A 38 1.992 11.465 -2.784 1.00 0.00 C ATOM 563 O PRO A 38 2.540 11.603 -1.691 1.00 0.00 O ATOM 564 CB PRO A 38 2.504 12.815 -4.878 1.00 0.00 C ATOM 565 CG PRO A 38 3.525 13.896 -4.565 1.00 0.00 C ATOM 566 CD PRO A 38 3.059 14.632 -3.320 1.00 0.00 C ATOM 0 HA PRO A 38 0.594 12.539 -3.907 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.995 11.870 -5.112 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.903 13.085 -5.746 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.509 13.456 -4.402 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.619 14.586 -5.403 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.823 14.619 -2.543 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.842 15.678 -3.536 1.00 0.00 H new ATOM 574 N HIS A 39 1.666 10.298 -3.318 1.00 0.00 N ATOM 575 CA HIS A 39 1.942 9.052 -2.621 1.00 0.00 C ATOM 576 C HIS A 39 2.479 8.018 -3.613 1.00 0.00 C ATOM 577 O HIS A 39 2.551 8.282 -4.812 1.00 0.00 O ATOM 578 CB HIS A 39 0.703 8.565 -1.867 1.00 0.00 C ATOM 579 CG HIS A 39 0.133 9.578 -0.903 1.00 0.00 C ATOM 580 ND1 HIS A 39 0.842 10.061 0.183 1.00 0.00 N ATOM 581 CD2 HIS A 39 -1.084 10.194 -0.873 1.00 0.00 C ATOM 582 CE1 HIS A 39 0.076 10.927 0.831 1.00 0.00 C ATOM 583 NE2 HIS A 39 -1.117 11.008 0.174 1.00 0.00 N ATOM 0 H HIS A 39 1.213 10.188 -4.225 1.00 0.00 H new ATOM 0 HA HIS A 39 2.712 9.215 -1.867 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.066 8.294 -2.590 1.00 0.00 H new ATOM 0 HB3 HIS A 39 0.958 7.659 -1.317 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.885 10.044 -1.582 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.348 11.473 1.722 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -1.905 11.597 0.443 1.00 0.00 H new ATOM 591 N ASN A 40 2.840 6.862 -3.074 1.00 0.00 N ATOM 592 CA ASN A 40 3.369 5.787 -3.897 1.00 0.00 C ATOM 593 C ASN A 40 3.263 4.467 -3.131 1.00 0.00 C ATOM 594 O ASN A 40 2.976 4.460 -1.934 1.00 0.00 O ATOM 595 CB ASN A 40 4.842 6.023 -4.232 1.00 0.00 C ATOM 596 CG ASN A 40 5.596 6.584 -3.024 1.00 0.00 C ATOM 597 OD1 ASN A 40 5.058 6.738 -1.940 1.00 0.00 O ATOM 598 ND2 ASN A 40 6.869 6.881 -3.272 1.00 0.00 N ATOM 0 H ASN A 40 2.777 6.647 -2.079 1.00 0.00 H new ATOM 0 HA ASN A 40 2.791 5.753 -4.821 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.301 5.087 -4.549 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.922 6.717 -5.069 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.457 7.262 -2.531 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.257 6.727 -4.203 1.00 0.00 H new ATOM 605 N VAL A 41 3.501 3.381 -3.851 1.00 0.00 N ATOM 606 CA VAL A 41 3.435 2.057 -3.255 1.00 0.00 C ATOM 607 C VAL A 41 4.834 1.437 -3.247 1.00 0.00 C ATOM 608 O VAL A 41 5.368 1.088 -4.298 1.00 0.00 O ATOM 609 CB VAL A 41 2.405 1.200 -3.993 1.00 0.00 C ATOM 610 CG1 VAL A 41 2.475 -0.258 -3.534 1.00 0.00 C ATOM 611 CG2 VAL A 41 0.994 1.765 -3.817 1.00 0.00 C ATOM 0 H VAL A 41 3.740 3.391 -4.843 1.00 0.00 H new ATOM 0 HA VAL A 41 3.101 2.121 -2.219 1.00 0.00 H new ATOM 0 HB VAL A 41 2.646 1.228 -5.056 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.733 -0.846 -4.074 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.470 -0.656 -3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.273 -0.313 -2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.281 1.137 -4.352 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.739 1.783 -2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.955 2.778 -4.216 1.00 0.00 H new ATOM 621 N ILE A 42 5.387 1.320 -2.049 1.00 0.00 N ATOM 622 CA ILE A 42 6.713 0.747 -1.890 1.00 0.00 C ATOM 623 C ILE A 42 6.702 -0.238 -0.719 1.00 0.00 C ATOM 624 O ILE A 42 6.943 0.149 0.423 1.00 0.00 O ATOM 625 CB ILE A 42 7.762 1.854 -1.753 1.00 0.00 C ATOM 626 CG1 ILE A 42 7.613 2.890 -2.869 1.00 0.00 C ATOM 627 CG2 ILE A 42 9.173 1.267 -1.699 1.00 0.00 C ATOM 628 CD1 ILE A 42 8.158 2.351 -4.194 1.00 0.00 C ATOM 0 H ILE A 42 4.941 1.612 -1.179 1.00 0.00 H new ATOM 0 HA ILE A 42 6.993 0.182 -2.779 1.00 0.00 H new ATOM 0 HB ILE A 42 7.593 2.372 -0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.562 3.156 -2.985 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.145 3.802 -2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.899 2.074 -1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.256 0.598 -0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.371 0.710 -2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.040 3.107 -4.970 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.215 2.109 -4.081 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.608 1.453 -4.475 1.00 0.00 H new ATOM 640 N PHE A 43 6.421 -1.491 -1.045 1.00 0.00 N ATOM 641 CA PHE A 43 6.377 -2.534 -0.035 1.00 0.00 C ATOM 642 C PHE A 43 7.710 -2.637 0.709 1.00 0.00 C ATOM 643 O PHE A 43 8.721 -2.103 0.253 1.00 0.00 O ATOM 644 CB PHE A 43 6.110 -3.852 -0.764 1.00 0.00 C ATOM 645 CG PHE A 43 4.711 -3.954 -1.375 1.00 0.00 C ATOM 646 CD1 PHE A 43 4.477 -3.465 -2.623 1.00 0.00 C ATOM 647 CD2 PHE A 43 3.702 -4.532 -0.671 1.00 0.00 C ATOM 648 CE1 PHE A 43 3.178 -3.559 -3.190 1.00 0.00 C ATOM 649 CE2 PHE A 43 2.403 -4.626 -1.239 1.00 0.00 C ATOM 650 CZ PHE A 43 2.169 -4.136 -2.486 1.00 0.00 C ATOM 0 H PHE A 43 6.222 -1.807 -1.994 1.00 0.00 H new ATOM 0 HA PHE A 43 5.601 -2.309 0.697 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.850 -3.974 -1.555 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.251 -4.677 -0.065 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.279 -3.006 -3.182 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.888 -4.920 0.320 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.992 -3.172 -4.181 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.601 -5.087 -0.681 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.181 -4.205 -2.917 1.00 0.00 H new ATOM 660 N ASP A 44 7.671 -3.327 1.838 1.00 0.00 N ATOM 661 CA ASP A 44 8.864 -3.507 2.648 1.00 0.00 C ATOM 662 C ASP A 44 9.468 -4.882 2.360 1.00 0.00 C ATOM 663 O ASP A 44 10.658 -4.993 2.069 1.00 0.00 O ATOM 664 CB ASP A 44 8.532 -3.440 4.140 1.00 0.00 C ATOM 665 CG ASP A 44 9.662 -2.918 5.031 1.00 0.00 C ATOM 666 OD1 ASP A 44 10.786 -2.782 4.500 1.00 0.00 O ATOM 667 OD2 ASP A 44 9.376 -2.668 6.221 1.00 0.00 O ATOM 0 H ASP A 44 6.831 -3.769 2.212 1.00 0.00 H new ATOM 0 HA ASP A 44 9.564 -2.710 2.398 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.659 -2.801 4.274 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.253 -4.437 4.480 1.00 0.00 H new ATOM 672 N LYS A 45 8.620 -5.897 2.450 1.00 0.00 N ATOM 673 CA LYS A 45 9.056 -7.260 2.203 1.00 0.00 C ATOM 674 C LYS A 45 7.930 -8.227 2.576 1.00 0.00 C ATOM 675 O LYS A 45 7.159 -7.960 3.497 1.00 0.00 O ATOM 676 CB LYS A 45 10.374 -7.542 2.928 1.00 0.00 C ATOM 677 CG LYS A 45 11.530 -7.673 1.934 1.00 0.00 C ATOM 678 CD LYS A 45 12.556 -8.699 2.420 1.00 0.00 C ATOM 679 CE LYS A 45 13.307 -9.323 1.241 1.00 0.00 C ATOM 680 NZ LYS A 45 14.377 -8.416 0.769 1.00 0.00 N ATOM 0 H LYS A 45 7.633 -5.802 2.691 1.00 0.00 H new ATOM 0 HA LYS A 45 9.265 -7.406 1.143 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.585 -6.737 3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.284 -8.459 3.510 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.144 -7.972 0.959 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.013 -6.705 1.802 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.265 -8.219 3.094 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.053 -9.480 2.990 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.738 -10.278 1.541 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.612 -9.529 0.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.876 -8.855 -0.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.958 -7.515 0.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.050 -8.240 1.543 1.00 0.00 H new ATOM 694 N VAL A 46 7.872 -9.328 1.842 1.00 0.00 N ATOM 695 CA VAL A 46 6.853 -10.336 2.086 1.00 0.00 C ATOM 696 C VAL A 46 7.503 -11.721 2.094 1.00 0.00 C ATOM 697 O VAL A 46 8.561 -11.917 1.499 1.00 0.00 O ATOM 698 CB VAL A 46 5.733 -10.207 1.050 1.00 0.00 C ATOM 699 CG1 VAL A 46 5.286 -8.751 0.904 1.00 0.00 C ATOM 700 CG2 VAL A 46 6.164 -10.787 -0.298 1.00 0.00 C ATOM 0 H VAL A 46 8.513 -9.545 1.079 1.00 0.00 H new ATOM 0 HA VAL A 46 6.394 -10.187 3.063 1.00 0.00 H new ATOM 0 HB VAL A 46 4.880 -10.785 1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.490 -8.687 0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.919 -8.385 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.131 -8.142 0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.350 -10.683 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.040 -10.250 -0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.409 -11.842 -0.178 1.00 0.00 H new ATOM 710 N PRO A 47 6.824 -12.670 2.793 1.00 0.00 N ATOM 711 CA PRO A 47 7.324 -14.031 2.887 1.00 0.00 C ATOM 712 C PRO A 47 7.103 -14.788 1.577 1.00 0.00 C ATOM 713 O PRO A 47 6.351 -14.337 0.714 1.00 0.00 O ATOM 714 CB PRO A 47 6.579 -14.644 4.061 1.00 0.00 C ATOM 715 CG PRO A 47 5.361 -13.763 4.287 1.00 0.00 C ATOM 716 CD PRO A 47 5.568 -12.473 3.511 1.00 0.00 C ATOM 0 HA PRO A 47 8.401 -14.073 3.051 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.284 -15.670 3.843 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.209 -14.675 4.950 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.456 -14.269 3.951 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.233 -13.553 5.349 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.743 -12.288 2.823 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.624 -11.614 4.179 1.00 0.00 H new ATOM 756 N SER A 51 7.284 -11.221 -4.901 1.00 0.00 N ATOM 757 CA SER A 51 8.021 -10.092 -5.445 1.00 0.00 C ATOM 758 C SER A 51 7.681 -8.820 -4.666 1.00 0.00 C ATOM 759 O SER A 51 6.958 -7.959 -5.163 1.00 0.00 O ATOM 760 CB SER A 51 7.717 -9.901 -6.932 1.00 0.00 C ATOM 761 OG SER A 51 7.331 -11.121 -7.559 1.00 0.00 O ATOM 0 HA SER A 51 9.086 -10.298 -5.343 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.920 -9.166 -7.048 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.597 -9.498 -7.433 1.00 0.00 H new ATOM 0 HG SER A 51 7.131 -11.792 -6.873 1.00 0.00 H new ATOM 767 N ALA A 52 8.218 -8.744 -3.457 1.00 0.00 N ATOM 768 CA ALA A 52 7.980 -7.592 -2.604 1.00 0.00 C ATOM 769 C ALA A 52 8.803 -6.406 -3.114 1.00 0.00 C ATOM 770 O ALA A 52 8.266 -5.321 -3.329 1.00 0.00 O ATOM 771 CB ALA A 52 8.313 -7.952 -1.155 1.00 0.00 C ATOM 0 H ALA A 52 8.817 -9.461 -3.048 1.00 0.00 H new ATOM 0 HA ALA A 52 6.930 -7.302 -2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.134 -7.088 -0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.682 -8.780 -0.831 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.360 -8.245 -1.084 1.00 0.00 H new ATOM 777 N PRO A 53 10.125 -6.662 -3.298 1.00 0.00 N ATOM 778 CA PRO A 53 11.028 -5.630 -3.778 1.00 0.00 C ATOM 779 C PRO A 53 10.831 -5.383 -5.276 1.00 0.00 C ATOM 780 O PRO A 53 11.516 -4.548 -5.866 1.00 0.00 O ATOM 781 CB PRO A 53 12.421 -6.133 -3.437 1.00 0.00 C ATOM 782 CG PRO A 53 12.277 -7.628 -3.200 1.00 0.00 C ATOM 783 CD PRO A 53 10.796 -7.936 -3.054 1.00 0.00 C ATOM 0 HA PRO A 53 10.845 -4.662 -3.312 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.119 -5.932 -4.250 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.811 -5.633 -2.551 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.703 -8.189 -4.031 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.819 -7.926 -2.303 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.477 -8.694 -3.769 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.568 -8.319 -2.060 1.00 0.00 H new ATOM 791 N ALA A 54 9.894 -6.125 -5.847 1.00 0.00 N ATOM 792 CA ALA A 54 9.599 -5.999 -7.264 1.00 0.00 C ATOM 793 C ALA A 54 8.247 -5.306 -7.439 1.00 0.00 C ATOM 794 O ALA A 54 8.095 -4.443 -8.303 1.00 0.00 O ATOM 795 CB ALA A 54 9.636 -7.380 -7.919 1.00 0.00 C ATOM 0 H ALA A 54 9.329 -6.816 -5.354 1.00 0.00 H new ATOM 0 HA ALA A 54 10.351 -5.384 -7.759 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.415 -7.285 -8.982 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.627 -7.816 -7.792 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.893 -8.025 -7.450 1.00 0.00 H new ATOM 801 N LEU A 55 7.300 -5.709 -6.605 1.00 0.00 N ATOM 802 CA LEU A 55 5.964 -5.137 -6.657 1.00 0.00 C ATOM 803 C LEU A 55 6.047 -3.634 -6.383 1.00 0.00 C ATOM 804 O LEU A 55 5.308 -2.850 -6.976 1.00 0.00 O ATOM 805 CB LEU A 55 5.024 -5.884 -5.710 1.00 0.00 C ATOM 806 CG LEU A 55 4.265 -7.068 -6.313 1.00 0.00 C ATOM 807 CD1 LEU A 55 3.716 -7.983 -5.218 1.00 0.00 C ATOM 808 CD2 LEU A 55 3.165 -6.587 -7.262 1.00 0.00 C ATOM 0 H LEU A 55 7.430 -6.424 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 55 5.536 -5.257 -7.652 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.606 -6.245 -4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.296 -5.174 -5.317 1.00 0.00 H new ATOM 0 HG LEU A 55 4.966 -7.658 -6.904 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.181 -8.816 -5.674 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.541 -8.367 -4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.034 -7.420 -4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.641 -7.448 -7.677 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.460 -5.962 -6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.610 -6.008 -8.071 1.00 0.00 H new ATOM 820 N SER A 56 6.953 -3.278 -5.484 1.00 0.00 N ATOM 821 CA SER A 56 7.142 -1.883 -5.125 1.00 0.00 C ATOM 822 C SER A 56 7.374 -1.044 -6.383 1.00 0.00 C ATOM 823 O SER A 56 8.284 -1.326 -7.162 1.00 0.00 O ATOM 824 CB SER A 56 8.312 -1.718 -4.153 1.00 0.00 C ATOM 825 OG SER A 56 9.248 -2.788 -4.258 1.00 0.00 O ATOM 0 H SER A 56 7.564 -3.931 -4.994 1.00 0.00 H new ATOM 0 HA SER A 56 6.238 -1.534 -4.626 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.818 -0.773 -4.351 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.932 -1.668 -3.133 1.00 0.00 H new ATOM 0 HG SER A 56 8.897 -3.576 -3.793 1.00 0.00 H new ATOM 831 N ASN A 57 6.536 -0.031 -6.543 1.00 0.00 N ATOM 832 CA ASN A 57 6.639 0.851 -7.694 1.00 0.00 C ATOM 833 C ASN A 57 6.774 2.296 -7.212 1.00 0.00 C ATOM 834 O ASN A 57 5.926 2.790 -6.471 1.00 0.00 O ATOM 835 CB ASN A 57 5.389 0.759 -8.571 1.00 0.00 C ATOM 836 CG ASN A 57 5.750 0.335 -9.996 1.00 0.00 C ATOM 837 OD1 ASN A 57 6.901 0.333 -10.398 1.00 0.00 O ATOM 838 ND2 ASN A 57 4.703 -0.021 -10.736 1.00 0.00 N ATOM 0 H ASN A 57 5.782 0.199 -5.895 1.00 0.00 H new ATOM 0 HA ASN A 57 7.510 0.548 -8.275 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.690 0.042 -8.140 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.883 1.724 -8.592 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.839 -0.319 -11.702 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.765 0.004 -10.337 1.00 0.00 H new ATOM 845 N THR A 58 7.848 2.936 -7.653 1.00 0.00 N ATOM 846 CA THR A 58 8.105 4.315 -7.277 1.00 0.00 C ATOM 847 C THR A 58 7.480 5.271 -8.295 1.00 0.00 C ATOM 848 O THR A 58 8.024 6.340 -8.564 1.00 0.00 O ATOM 849 CB THR A 58 9.618 4.491 -7.129 1.00 0.00 C ATOM 850 OG1 THR A 58 9.764 5.799 -6.584 1.00 0.00 O ATOM 851 CG2 THR A 58 10.334 4.567 -8.479 1.00 0.00 C ATOM 0 H THR A 58 8.550 2.524 -8.268 1.00 0.00 H new ATOM 0 HA THR A 58 7.640 4.557 -6.322 1.00 0.00 H new ATOM 0 HB THR A 58 10.024 3.662 -6.549 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.221 6.431 -7.100 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.405 4.692 -8.317 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.156 3.648 -9.037 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.952 5.416 -9.046 1.00 0.00 H new ATOM 859 N LYS A 59 6.344 4.850 -8.832 1.00 0.00 N ATOM 860 CA LYS A 59 5.638 5.657 -9.815 1.00 0.00 C ATOM 861 C LYS A 59 4.591 6.517 -9.105 1.00 0.00 C ATOM 862 O LYS A 59 3.409 6.465 -9.440 1.00 0.00 O ATOM 863 CB LYS A 59 5.060 4.770 -10.919 1.00 0.00 C ATOM 864 CG LYS A 59 4.503 5.615 -12.066 1.00 0.00 C ATOM 865 CD LYS A 59 3.504 4.814 -12.903 1.00 0.00 C ATOM 866 CE LYS A 59 2.987 5.643 -14.082 1.00 0.00 C ATOM 867 NZ LYS A 59 1.930 4.906 -14.809 1.00 0.00 N ATOM 0 H LYS A 59 5.895 3.962 -8.606 1.00 0.00 H new ATOM 0 HA LYS A 59 6.326 6.340 -10.314 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.835 4.103 -11.297 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.270 4.141 -10.509 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.016 6.504 -11.664 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.321 5.958 -12.700 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.980 3.906 -13.273 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.667 4.503 -12.278 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.594 6.593 -13.721 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.809 5.875 -14.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.590 5.482 -15.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.317 4.010 -15.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.139 4.707 -14.164 1.00 0.00 H new ATOM 881 N LEU A 60 5.063 7.289 -8.136 1.00 0.00 N ATOM 882 CA LEU A 60 4.182 8.159 -7.376 1.00 0.00 C ATOM 883 C LEU A 60 3.250 8.899 -8.338 1.00 0.00 C ATOM 884 O LEU A 60 3.682 9.364 -9.392 1.00 0.00 O ATOM 885 CB LEU A 60 4.995 9.086 -6.471 1.00 0.00 C ATOM 886 CG LEU A 60 5.615 10.310 -7.148 1.00 0.00 C ATOM 887 CD1 LEU A 60 4.577 11.419 -7.334 1.00 0.00 C ATOM 888 CD2 LEU A 60 6.844 10.798 -6.379 1.00 0.00 C ATOM 0 H LEU A 60 6.044 7.330 -7.860 1.00 0.00 H new ATOM 0 HA LEU A 60 3.551 7.573 -6.708 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.349 9.430 -5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.795 8.504 -6.013 1.00 0.00 H new ATOM 0 HG LEU A 60 5.953 10.016 -8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.044 12.277 -7.817 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.760 11.052 -7.956 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.186 11.718 -6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.265 11.669 -6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.554 11.070 -5.364 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.590 10.004 -6.343 1.00 0.00 H new ATOM 900 N ALA A 61 1.989 8.987 -7.940 1.00 0.00 N ATOM 901 CA ALA A 61 0.993 9.663 -8.753 1.00 0.00 C ATOM 902 C ALA A 61 0.704 11.041 -8.155 1.00 0.00 C ATOM 903 O ALA A 61 0.268 11.145 -7.010 1.00 0.00 O ATOM 904 CB ALA A 61 -0.262 8.795 -8.851 1.00 0.00 C ATOM 0 H ALA A 61 1.635 8.601 -7.065 1.00 0.00 H new ATOM 0 HA ALA A 61 1.364 9.814 -9.767 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.009 9.303 -9.461 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.008 7.839 -9.309 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.665 8.624 -7.853 1.00 0.00 H new ATOM 910 N ILE A 62 0.957 12.065 -8.957 1.00 0.00 N ATOM 911 CA ILE A 62 0.729 13.431 -8.522 1.00 0.00 C ATOM 912 C ILE A 62 -0.766 13.748 -8.611 1.00 0.00 C ATOM 913 O ILE A 62 -1.345 14.298 -7.675 1.00 0.00 O ATOM 914 CB ILE A 62 1.611 14.400 -9.312 1.00 0.00 C ATOM 915 CG1 ILE A 62 3.068 13.935 -9.318 1.00 0.00 C ATOM 916 CG2 ILE A 62 1.466 15.830 -8.783 1.00 0.00 C ATOM 917 CD1 ILE A 62 3.689 14.063 -7.926 1.00 0.00 C ATOM 0 H ILE A 62 1.318 11.975 -9.907 1.00 0.00 H new ATOM 0 HA ILE A 62 1.019 13.551 -7.478 1.00 0.00 H new ATOM 0 HB ILE A 62 1.271 14.404 -10.348 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.121 12.898 -9.650 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.640 14.528 -10.031 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.103 16.498 -9.362 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.428 16.149 -8.875 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.764 15.862 -7.735 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.725 13.726 -7.957 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.656 15.105 -7.607 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.129 13.450 -7.220 1.00 0.00 H new ATOM 929 N ALA A 63 -1.347 13.386 -9.744 1.00 0.00 N ATOM 930 CA ALA A 63 -2.763 13.625 -9.968 1.00 0.00 C ATOM 931 C ALA A 63 -3.572 12.481 -9.353 1.00 0.00 C ATOM 932 O ALA A 63 -3.116 11.339 -9.324 1.00 0.00 O ATOM 933 CB ALA A 63 -3.024 13.783 -11.467 1.00 0.00 C ATOM 0 H ALA A 63 -0.864 12.929 -10.517 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.077 14.549 -9.484 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.086 13.962 -11.634 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.449 14.626 -11.850 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.723 12.873 -11.987 1.00 0.00 H new ATOM 939 N PRO A 64 -4.791 12.836 -8.865 1.00 0.00 N ATOM 940 CA PRO A 64 -5.667 11.851 -8.253 1.00 0.00 C ATOM 941 C PRO A 64 -6.314 10.958 -9.314 1.00 0.00 C ATOM 942 O PRO A 64 -6.300 11.286 -10.499 1.00 0.00 O ATOM 943 CB PRO A 64 -6.680 12.664 -7.463 1.00 0.00 C ATOM 944 CG PRO A 64 -6.620 14.072 -8.032 1.00 0.00 C ATOM 945 CD PRO A 64 -5.365 14.178 -8.882 1.00 0.00 C ATOM 0 HA PRO A 64 -5.133 11.161 -7.600 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.681 12.245 -7.564 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.439 12.662 -6.400 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.506 14.279 -8.632 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.600 14.808 -7.228 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.601 14.495 -9.898 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.670 14.911 -8.472 1.00 0.00 H new ATOM 953 N GLY A 65 -6.866 9.847 -8.849 1.00 0.00 N ATOM 954 CA GLY A 65 -7.518 8.904 -9.743 1.00 0.00 C ATOM 955 C GLY A 65 -7.609 7.517 -9.105 1.00 0.00 C ATOM 956 O GLY A 65 -8.559 7.226 -8.379 1.00 0.00 O ATOM 0 H GLY A 65 -6.875 9.578 -7.865 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.518 9.262 -9.988 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.963 8.842 -10.679 1.00 0.00 H new ATOM 960 N SER A 66 -6.609 6.699 -9.396 1.00 0.00 N ATOM 961 CA SER A 66 -6.565 5.349 -8.859 1.00 0.00 C ATOM 962 C SER A 66 -5.319 4.624 -9.370 1.00 0.00 C ATOM 963 O SER A 66 -5.310 4.109 -10.487 1.00 0.00 O ATOM 964 CB SER A 66 -7.826 4.567 -9.232 1.00 0.00 C ATOM 965 OG SER A 66 -7.974 4.434 -10.644 1.00 0.00 O ATOM 0 H SER A 66 -5.822 6.945 -9.997 1.00 0.00 H new ATOM 0 HA SER A 66 -6.519 5.414 -7.772 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.787 3.577 -8.777 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.700 5.072 -8.822 1.00 0.00 H new ATOM 0 HG SER A 66 -7.095 4.295 -11.053 1.00 0.00 H new ATOM 971 N PHE A 67 -4.297 4.604 -8.527 1.00 0.00 N ATOM 972 CA PHE A 67 -3.048 3.949 -8.879 1.00 0.00 C ATOM 973 C PHE A 67 -3.306 2.673 -9.682 1.00 0.00 C ATOM 974 O PHE A 67 -3.240 2.685 -10.911 1.00 0.00 O ATOM 975 CB PHE A 67 -2.351 3.581 -7.568 1.00 0.00 C ATOM 976 CG PHE A 67 -1.190 4.505 -7.199 1.00 0.00 C ATOM 977 CD1 PHE A 67 -1.440 5.761 -6.736 1.00 0.00 C ATOM 978 CD2 PHE A 67 0.093 4.074 -7.333 1.00 0.00 C ATOM 979 CE1 PHE A 67 -0.362 6.619 -6.394 1.00 0.00 C ATOM 980 CE2 PHE A 67 1.171 4.933 -6.990 1.00 0.00 C ATOM 981 CZ PHE A 67 0.920 6.187 -6.528 1.00 0.00 C ATOM 0 H PHE A 67 -4.308 5.031 -7.601 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.438 4.614 -9.491 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.084 3.597 -6.762 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.979 2.559 -7.641 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.458 6.104 -6.629 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.292 3.078 -7.700 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.560 7.615 -6.027 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.190 4.590 -7.096 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.740 6.840 -6.267 1.00 0.00 H new ATOM 991 N TYR A 68 -3.594 1.603 -8.957 1.00 0.00 N ATOM 992 CA TYR A 68 -3.863 0.322 -9.586 1.00 0.00 C ATOM 993 C TYR A 68 -4.109 -0.764 -8.537 1.00 0.00 C ATOM 994 O TYR A 68 -4.017 -0.506 -7.338 1.00 0.00 O ATOM 995 CB TYR A 68 -2.603 -0.029 -10.380 1.00 0.00 C ATOM 996 CG TYR A 68 -1.309 0.067 -9.571 1.00 0.00 C ATOM 997 CD1 TYR A 68 -1.022 -0.884 -8.612 1.00 0.00 C ATOM 998 CD2 TYR A 68 -0.429 1.106 -9.797 1.00 0.00 C ATOM 999 CE1 TYR A 68 0.196 -0.793 -7.849 1.00 0.00 C ATOM 1000 CE2 TYR A 68 0.789 1.197 -9.033 1.00 0.00 C ATOM 1001 CZ TYR A 68 1.042 0.243 -8.098 1.00 0.00 C ATOM 1002 OH TYR A 68 2.191 0.329 -7.377 1.00 0.00 O ATOM 0 H TYR A 68 -3.647 1.597 -7.938 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.751 0.382 -10.215 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.702 -1.043 -10.768 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.531 0.636 -11.240 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.711 -1.696 -8.434 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.653 1.851 -10.546 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.432 -1.530 -7.096 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.486 2.005 -9.199 1.00 0.00 H new ATOM 0 HH TYR A 68 2.698 1.118 -7.662 1.00 0.00 H new ATOM 1012 N SER A 69 -4.415 -1.957 -9.026 1.00 0.00 N ATOM 1013 CA SER A 69 -4.675 -3.083 -8.146 1.00 0.00 C ATOM 1014 C SER A 69 -3.715 -4.230 -8.466 1.00 0.00 C ATOM 1015 O SER A 69 -2.876 -4.111 -9.358 1.00 0.00 O ATOM 1016 CB SER A 69 -6.125 -3.554 -8.268 1.00 0.00 C ATOM 1017 OG SER A 69 -6.319 -4.841 -7.686 1.00 0.00 O ATOM 0 H SER A 69 -4.489 -2.168 -10.021 1.00 0.00 H new ATOM 0 HA SER A 69 -4.513 -2.758 -7.118 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.782 -2.833 -7.782 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.409 -3.585 -9.320 1.00 0.00 H new ATOM 0 HG SER A 69 -7.278 -5.011 -7.580 1.00 0.00 H new ATOM 1023 N VAL A 70 -3.870 -5.315 -7.721 1.00 0.00 N ATOM 1024 CA VAL A 70 -3.027 -6.482 -7.915 1.00 0.00 C ATOM 1025 C VAL A 70 -3.587 -7.650 -7.102 1.00 0.00 C ATOM 1026 O VAL A 70 -4.115 -7.454 -6.009 1.00 0.00 O ATOM 1027 CB VAL A 70 -1.578 -6.146 -7.559 1.00 0.00 C ATOM 1028 CG1 VAL A 70 -0.827 -5.599 -8.773 1.00 0.00 C ATOM 1029 CG2 VAL A 70 -1.515 -5.165 -6.387 1.00 0.00 C ATOM 0 H VAL A 70 -4.567 -5.410 -6.982 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.028 -6.784 -8.962 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.087 -7.069 -7.250 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.201 -5.368 -8.492 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.827 -6.345 -9.567 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.318 -4.693 -9.127 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.474 -4.943 -6.154 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.031 -4.243 -6.656 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.995 -5.609 -5.515 1.00 0.00 H new ATOM 1039 N THR A 71 -3.454 -8.842 -7.668 1.00 0.00 N ATOM 1040 CA THR A 71 -3.940 -10.042 -7.008 1.00 0.00 C ATOM 1041 C THR A 71 -2.778 -10.813 -6.379 1.00 0.00 C ATOM 1042 O THR A 71 -1.673 -10.829 -6.920 1.00 0.00 O ATOM 1043 CB THR A 71 -4.726 -10.859 -8.036 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.888 -10.074 -8.287 1.00 0.00 O ATOM 1045 CG2 THR A 71 -5.276 -12.162 -7.449 1.00 0.00 C ATOM 0 H THR A 71 -3.017 -9.002 -8.576 1.00 0.00 H new ATOM 0 HA THR A 71 -4.610 -9.797 -6.183 1.00 0.00 H new ATOM 0 HB THR A 71 -4.085 -11.086 -8.888 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.455 -10.529 -8.944 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.825 -12.704 -8.219 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.450 -12.777 -7.091 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.945 -11.933 -6.619 1.00 0.00 H new ATOM 1053 N LEU A 72 -3.066 -11.433 -5.244 1.00 0.00 N ATOM 1054 CA LEU A 72 -2.059 -12.204 -4.536 1.00 0.00 C ATOM 1055 C LEU A 72 -2.482 -13.675 -4.498 1.00 0.00 C ATOM 1056 O LEU A 72 -3.598 -14.013 -4.888 1.00 0.00 O ATOM 1057 CB LEU A 72 -1.798 -11.603 -3.153 1.00 0.00 C ATOM 1058 CG LEU A 72 -1.099 -10.243 -3.134 1.00 0.00 C ATOM 1059 CD1 LEU A 72 -1.111 -9.640 -1.728 1.00 0.00 C ATOM 1060 CD2 LEU A 72 0.318 -10.347 -3.702 1.00 0.00 C ATOM 0 H LEU A 72 -3.983 -11.417 -4.797 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.106 -12.160 -5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.752 -11.506 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.195 -12.307 -2.581 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.655 -9.564 -3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.608 -8.673 -1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.141 -9.508 -1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.593 -10.309 -1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.793 -9.366 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.900 -11.047 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.272 -10.702 -4.732 1.00 0.00 H new ATOM 1072 N GLY A 73 -1.567 -14.508 -4.024 1.00 0.00 N ATOM 1073 CA GLY A 73 -1.831 -15.933 -3.930 1.00 0.00 C ATOM 1074 C GLY A 73 -1.094 -16.550 -2.739 1.00 0.00 C ATOM 1075 O GLY A 73 -1.684 -17.291 -1.955 1.00 0.00 O ATOM 0 H GLY A 73 -0.642 -14.223 -3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.903 -16.102 -3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.518 -16.426 -4.851 1.00 0.00 H new ATOM 1079 N THR A 74 0.186 -16.221 -2.642 1.00 0.00 N ATOM 1080 CA THR A 74 1.009 -16.733 -1.560 1.00 0.00 C ATOM 1081 C THR A 74 0.510 -16.207 -0.213 1.00 0.00 C ATOM 1082 O THR A 74 0.310 -15.004 -0.049 1.00 0.00 O ATOM 1083 CB THR A 74 2.464 -16.361 -1.856 1.00 0.00 C ATOM 1084 OG1 THR A 74 2.667 -16.796 -3.198 1.00 0.00 O ATOM 1085 CG2 THR A 74 3.458 -17.189 -1.040 1.00 0.00 C ATOM 0 H THR A 74 0.673 -15.607 -3.295 1.00 0.00 H new ATOM 0 HA THR A 74 0.942 -17.819 -1.493 1.00 0.00 H new ATOM 0 HB THR A 74 2.618 -15.302 -1.647 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.585 -16.592 -3.473 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.475 -16.885 -1.288 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.280 -17.027 0.023 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.328 -18.246 -1.273 1.00 0.00 H new ATOM 1093 N PRO A 75 0.317 -17.157 0.740 1.00 0.00 N ATOM 1094 CA PRO A 75 -0.155 -16.800 2.067 1.00 0.00 C ATOM 1095 C PRO A 75 0.959 -16.152 2.890 1.00 0.00 C ATOM 1096 O PRO A 75 2.132 -16.478 2.718 1.00 0.00 O ATOM 1097 CB PRO A 75 -0.657 -18.103 2.669 1.00 0.00 C ATOM 1098 CG PRO A 75 -0.024 -19.214 1.846 1.00 0.00 C ATOM 1099 CD PRO A 75 0.543 -18.590 0.580 1.00 0.00 C ATOM 0 HA PRO A 75 -0.950 -16.054 2.044 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.373 -18.184 3.718 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.745 -18.158 2.629 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.764 -19.709 2.414 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.764 -19.975 1.598 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.604 -18.814 0.469 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.042 -18.973 -0.309 1.00 0.00 H new ATOM 1107 N GLY A 76 0.552 -15.245 3.766 1.00 0.00 N ATOM 1108 CA GLY A 76 1.502 -14.548 4.617 1.00 0.00 C ATOM 1109 C GLY A 76 1.058 -13.105 4.866 1.00 0.00 C ATOM 1110 O GLY A 76 0.015 -12.678 4.373 1.00 0.00 O ATOM 0 H GLY A 76 -0.422 -14.977 3.905 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.597 -15.072 5.568 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.487 -14.554 4.150 1.00 0.00 H new ATOM 1114 N THR A 77 1.872 -12.393 5.632 1.00 0.00 N ATOM 1115 CA THR A 77 1.575 -11.008 5.953 1.00 0.00 C ATOM 1116 C THR A 77 2.498 -10.070 5.171 1.00 0.00 C ATOM 1117 O THR A 77 3.720 -10.170 5.271 1.00 0.00 O ATOM 1118 CB THR A 77 1.683 -10.840 7.470 1.00 0.00 C ATOM 1119 OG1 THR A 77 0.946 -9.651 7.743 1.00 0.00 O ATOM 1120 CG2 THR A 77 3.107 -10.507 7.923 1.00 0.00 C ATOM 0 H THR A 77 2.737 -12.750 6.039 1.00 0.00 H new ATOM 0 HA THR A 77 0.561 -10.741 5.653 1.00 0.00 H new ATOM 0 HB THR A 77 1.350 -11.755 7.960 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.963 -9.469 8.706 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.128 -10.398 9.007 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.781 -11.311 7.626 1.00 0.00 H new ATOM 0 HG23 THR A 77 3.428 -9.574 7.459 1.00 0.00 H new ATOM 1128 N TYR A 78 1.877 -9.180 4.411 1.00 0.00 N ATOM 1129 CA TYR A 78 2.627 -8.225 3.613 1.00 0.00 C ATOM 1130 C TYR A 78 2.718 -6.872 4.319 1.00 0.00 C ATOM 1131 O TYR A 78 1.744 -6.409 4.912 1.00 0.00 O ATOM 1132 CB TYR A 78 1.842 -8.056 2.310 1.00 0.00 C ATOM 1133 CG TYR A 78 1.970 -9.239 1.349 1.00 0.00 C ATOM 1134 CD1 TYR A 78 1.610 -10.506 1.761 1.00 0.00 C ATOM 1135 CD2 TYR A 78 2.445 -9.039 0.068 1.00 0.00 C ATOM 1136 CE1 TYR A 78 1.730 -11.619 0.856 1.00 0.00 C ATOM 1137 CE2 TYR A 78 2.565 -10.152 -0.837 1.00 0.00 C ATOM 1138 CZ TYR A 78 2.202 -11.388 -0.399 1.00 0.00 C ATOM 1139 OH TYR A 78 2.316 -12.439 -1.254 1.00 0.00 O ATOM 0 H TYR A 78 0.863 -9.100 4.331 1.00 0.00 H new ATOM 0 HA TYR A 78 3.644 -8.580 3.446 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.789 -7.907 2.549 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.185 -7.153 1.806 1.00 0.00 H new ATOM 0 HD1 TYR A 78 1.238 -10.663 2.763 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.726 -8.048 -0.255 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.452 -12.615 1.166 1.00 0.00 H new ATOM 0 HE2 TYR A 78 2.935 -10.009 -1.842 1.00 0.00 H new ATOM 0 HH TYR A 78 2.665 -12.125 -2.114 1.00 0.00 H new ATOM 1149 N SER A 79 3.897 -6.273 4.234 1.00 0.00 N ATOM 1150 CA SER A 79 4.127 -4.980 4.856 1.00 0.00 C ATOM 1151 C SER A 79 4.650 -3.984 3.819 1.00 0.00 C ATOM 1152 O SER A 79 5.401 -4.356 2.919 1.00 0.00 O ATOM 1153 CB SER A 79 5.114 -5.099 6.021 1.00 0.00 C ATOM 1154 OG SER A 79 6.133 -6.061 5.762 1.00 0.00 O ATOM 0 H SER A 79 4.703 -6.660 3.744 1.00 0.00 H new ATOM 0 HA SER A 79 3.178 -4.617 5.251 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.572 -4.128 6.209 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.574 -5.377 6.926 1.00 0.00 H new ATOM 0 HG SER A 79 6.743 -6.106 6.528 1.00 0.00 H new ATOM 1160 N PHE A 80 4.229 -2.738 3.979 1.00 0.00 N ATOM 1161 CA PHE A 80 4.644 -1.686 3.068 1.00 0.00 C ATOM 1162 C PHE A 80 4.713 -0.335 3.783 1.00 0.00 C ATOM 1163 O PHE A 80 4.557 -0.266 5.001 1.00 0.00 O ATOM 1164 CB PHE A 80 3.591 -1.610 1.962 1.00 0.00 C ATOM 1165 CG PHE A 80 2.149 -1.590 2.475 1.00 0.00 C ATOM 1166 CD1 PHE A 80 1.568 -2.737 2.914 1.00 0.00 C ATOM 1167 CD2 PHE A 80 1.451 -0.423 2.493 1.00 0.00 C ATOM 1168 CE1 PHE A 80 0.230 -2.718 3.392 1.00 0.00 C ATOM 1169 CE2 PHE A 80 0.113 -0.404 2.969 1.00 0.00 C ATOM 1170 CZ PHE A 80 -0.469 -1.552 3.409 1.00 0.00 C ATOM 0 H PHE A 80 3.605 -2.434 4.726 1.00 0.00 H new ATOM 0 HA PHE A 80 5.635 -1.908 2.672 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.767 -0.713 1.368 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.717 -2.463 1.296 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.123 -3.663 2.900 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.914 0.489 2.146 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.232 -3.630 3.742 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.442 0.522 2.982 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.486 -1.537 3.772 1.00 0.00 H new ATOM 1180 N TYR A 81 4.945 0.705 2.996 1.00 0.00 N ATOM 1181 CA TYR A 81 5.035 2.049 3.540 1.00 0.00 C ATOM 1182 C TYR A 81 4.975 3.096 2.426 1.00 0.00 C ATOM 1183 O TYR A 81 4.957 2.751 1.246 1.00 0.00 O ATOM 1184 CB TYR A 81 6.398 2.134 4.231 1.00 0.00 C ATOM 1185 CG TYR A 81 7.552 1.568 3.401 1.00 0.00 C ATOM 1186 CD1 TYR A 81 7.931 2.191 2.230 1.00 0.00 C ATOM 1187 CD2 TYR A 81 8.214 0.433 3.825 1.00 0.00 C ATOM 1188 CE1 TYR A 81 9.018 1.658 1.450 1.00 0.00 C ATOM 1189 CE2 TYR A 81 9.300 -0.101 3.045 1.00 0.00 C ATOM 1190 CZ TYR A 81 9.648 0.539 1.896 1.00 0.00 C ATOM 1191 OH TYR A 81 10.675 0.034 1.159 1.00 0.00 O ATOM 0 H TYR A 81 5.073 0.644 1.986 1.00 0.00 H new ATOM 0 HA TYR A 81 4.208 2.243 4.222 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.610 3.177 4.466 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.348 1.597 5.178 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.413 3.078 1.898 1.00 0.00 H new ATOM 0 HD2 TYR A 81 7.917 -0.054 4.742 1.00 0.00 H new ATOM 0 HE1 TYR A 81 9.326 2.136 0.532 1.00 0.00 H new ATOM 0 HE2 TYR A 81 9.826 -0.989 3.364 1.00 0.00 H new ATOM 0 HH TYR A 81 10.370 -0.761 0.674 1.00 0.00 H new ATOM 1201 N CYS A 82 4.945 4.355 2.841 1.00 0.00 N ATOM 1202 CA CYS A 82 4.887 5.454 1.893 1.00 0.00 C ATOM 1203 C CYS A 82 6.109 6.347 2.118 1.00 0.00 C ATOM 1204 O CYS A 82 6.122 7.169 3.032 1.00 0.00 O ATOM 1205 CB CYS A 82 3.579 6.237 2.013 1.00 0.00 C ATOM 1206 SG CYS A 82 3.397 7.616 0.824 1.00 0.00 S ATOM 0 H CYS A 82 4.960 4.637 3.821 1.00 0.00 H new ATOM 0 HA CYS A 82 4.906 5.061 0.876 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.746 5.547 1.878 1.00 0.00 H new ATOM 0 HB3 CYS A 82 3.502 6.636 3.025 1.00 0.00 H new ATOM 0 HG CYS A 82 3.919 7.277 -0.317 1.00 0.00 H new ATOM 1211 N THR A 83 7.108 6.155 1.267 1.00 0.00 N ATOM 1212 CA THR A 83 8.331 6.932 1.362 1.00 0.00 C ATOM 1213 C THR A 83 8.050 8.294 2.002 1.00 0.00 C ATOM 1214 O THR A 83 8.625 8.627 3.037 1.00 0.00 O ATOM 1215 CB THR A 83 8.937 7.034 -0.040 1.00 0.00 C ATOM 1216 OG1 THR A 83 10.036 6.127 -0.009 1.00 0.00 O ATOM 1217 CG2 THR A 83 9.583 8.395 -0.301 1.00 0.00 C ATOM 0 H THR A 83 7.094 5.472 0.509 1.00 0.00 H new ATOM 0 HA THR A 83 9.058 6.446 2.012 1.00 0.00 H new ATOM 0 HB THR A 83 8.162 6.852 -0.785 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.486 6.128 -0.880 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.997 8.414 -1.309 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.832 9.179 -0.202 1.00 0.00 H new ATOM 0 HG23 THR A 83 10.381 8.564 0.422 1.00 0.00 H new ATOM 1225 N PRO A 84 7.142 9.062 1.343 1.00 0.00 N ATOM 1226 CA PRO A 84 6.777 10.379 1.837 1.00 0.00 C ATOM 1227 C PRO A 84 5.856 10.273 3.053 1.00 0.00 C ATOM 1228 O PRO A 84 5.012 9.381 3.121 1.00 0.00 O ATOM 1229 CB PRO A 84 6.123 11.076 0.654 1.00 0.00 C ATOM 1230 CG PRO A 84 5.726 9.971 -0.312 1.00 0.00 C ATOM 1231 CD PRO A 84 6.441 8.699 0.115 1.00 0.00 C ATOM 0 HA PRO A 84 7.636 10.948 2.192 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.252 11.649 0.971 1.00 0.00 H new ATOM 0 HB3 PRO A 84 6.812 11.777 0.184 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.646 9.824 -0.301 1.00 0.00 H new ATOM 0 HG3 PRO A 84 6.001 10.239 -1.332 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.735 7.887 0.288 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.137 8.359 -0.652 1.00 0.00 H new ATOM 1239 N HIS A 85 6.049 11.196 3.985 1.00 0.00 N ATOM 1240 CA HIS A 85 5.246 11.217 5.195 1.00 0.00 C ATOM 1241 C HIS A 85 5.860 10.278 6.235 1.00 0.00 C ATOM 1242 O HIS A 85 6.280 10.718 7.304 1.00 0.00 O ATOM 1243 CB HIS A 85 3.786 10.884 4.883 1.00 0.00 C ATOM 1244 CG HIS A 85 3.259 11.540 3.630 1.00 0.00 C ATOM 1245 ND1 HIS A 85 2.791 12.803 3.414 1.00 0.00 N flip ATOM 1246 CD2 HIS A 85 3.175 10.880 2.417 1.00 0.00 C flip ATOM 1247 CE1 HIS A 85 2.441 12.909 2.138 1.00 0.00 C flip ATOM 1248 NE2 HIS A 85 2.677 11.718 1.518 1.00 0.00 N flip ATOM 0 H HIS A 85 6.750 11.934 3.926 1.00 0.00 H new ATOM 0 HA HIS A 85 5.246 12.221 5.619 1.00 0.00 H new ATOM 0 HB2 HIS A 85 3.684 9.803 4.785 1.00 0.00 H new ATOM 0 HB3 HIS A 85 3.167 11.187 5.727 1.00 0.00 H new ATOM 0 HD2 HIS A 85 3.466 9.856 2.233 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.036 13.793 1.668 1.00 0.00 H new ATOM 0 HE2 HIS A 85 2.501 11.508 0.535 1.00 0.00 H new ATOM 1256 N ARG A 86 5.892 9.000 5.886 1.00 0.00 N ATOM 1257 CA ARG A 86 6.448 7.995 6.775 1.00 0.00 C ATOM 1258 C ARG A 86 6.085 8.313 8.228 1.00 0.00 C ATOM 1259 O ARG A 86 5.019 7.923 8.704 1.00 0.00 O ATOM 1260 CB ARG A 86 7.970 7.922 6.642 1.00 0.00 C ATOM 1261 CG ARG A 86 8.380 6.870 5.609 1.00 0.00 C ATOM 1262 CD ARG A 86 8.269 5.459 6.190 1.00 0.00 C ATOM 1263 NE ARG A 86 9.535 4.722 5.974 1.00 0.00 N ATOM 1264 CZ ARG A 86 9.921 3.664 6.700 1.00 0.00 C ATOM 1265 NH1 ARG A 86 9.142 3.212 7.692 1.00 0.00 N ATOM 1266 NH2 ARG A 86 11.086 3.058 6.433 1.00 0.00 N ATOM 0 H ARG A 86 5.542 8.638 4.999 1.00 0.00 H new ATOM 0 HA ARG A 86 6.024 7.032 6.492 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.360 8.897 6.349 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.412 7.680 7.608 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.746 6.955 4.727 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.404 7.054 5.284 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.047 5.512 7.256 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.443 4.926 5.718 1.00 0.00 H new ATOM 0 HE ARG A 86 10.152 5.039 5.226 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.255 3.673 7.895 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.436 2.407 8.245 1.00 0.00 H new ATOM 0 HH21 ARG A 86 11.678 3.402 5.677 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.380 2.253 6.985 1.00 0.00 H new ATOM 1280 N GLY A 87 6.991 9.015 8.890 1.00 0.00 N ATOM 1281 CA GLY A 87 6.780 9.390 10.278 1.00 0.00 C ATOM 1282 C GLY A 87 5.362 9.924 10.493 1.00 0.00 C ATOM 1283 O GLY A 87 4.837 9.875 11.604 1.00 0.00 O ATOM 0 H GLY A 87 7.874 9.335 8.491 1.00 0.00 H new ATOM 0 HA2 GLY A 87 6.948 8.526 10.921 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.506 10.150 10.568 1.00 0.00 H new ATOM 1287 N ALA A 88 4.782 10.422 9.410 1.00 0.00 N ATOM 1288 CA ALA A 88 3.436 10.965 9.466 1.00 0.00 C ATOM 1289 C ALA A 88 2.465 9.868 9.910 1.00 0.00 C ATOM 1290 O ALA A 88 1.335 10.155 10.301 1.00 0.00 O ATOM 1291 CB ALA A 88 3.065 11.553 8.103 1.00 0.00 C ATOM 0 H ALA A 88 5.220 10.461 8.490 1.00 0.00 H new ATOM 0 HA ALA A 88 3.379 11.772 10.197 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.055 11.960 8.145 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.766 12.347 7.846 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.109 10.771 7.345 1.00 0.00 H new ATOM 1297 N GLY A 89 2.944 8.635 9.837 1.00 0.00 N ATOM 1298 CA GLY A 89 2.134 7.493 10.227 1.00 0.00 C ATOM 1299 C GLY A 89 1.359 6.937 9.032 1.00 0.00 C ATOM 1300 O GLY A 89 0.134 6.826 9.078 1.00 0.00 O ATOM 0 H GLY A 89 3.883 8.402 9.514 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.773 6.715 10.644 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.437 7.788 11.012 1.00 0.00 H new ATOM 1304 N MET A 90 2.103 6.603 7.988 1.00 0.00 N ATOM 1305 CA MET A 90 1.500 6.061 6.782 1.00 0.00 C ATOM 1306 C MET A 90 1.993 4.637 6.515 1.00 0.00 C ATOM 1307 O MET A 90 2.676 4.389 5.524 1.00 0.00 O ATOM 1308 CB MET A 90 1.850 6.954 5.591 1.00 0.00 C ATOM 1309 CG MET A 90 0.963 6.634 4.386 1.00 0.00 C ATOM 1310 SD MET A 90 0.356 8.145 3.656 1.00 0.00 S ATOM 1311 CE MET A 90 0.081 7.592 1.980 1.00 0.00 C ATOM 0 H MET A 90 3.118 6.697 7.952 1.00 0.00 H new ATOM 0 HA MET A 90 0.419 6.031 6.920 1.00 0.00 H new ATOM 0 HB2 MET A 90 1.728 8.001 5.869 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.897 6.815 5.323 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.529 6.066 3.648 1.00 0.00 H new ATOM 0 HG3 MET A 90 0.126 6.008 4.696 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.894 7.940 1.637 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.859 7.995 1.332 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.110 6.503 1.947 1.00 0.00 H new ATOM 1321 N VAL A 91 1.625 3.739 7.417 1.00 0.00 N ATOM 1322 CA VAL A 91 2.022 2.347 7.292 1.00 0.00 C ATOM 1323 C VAL A 91 0.771 1.473 7.176 1.00 0.00 C ATOM 1324 O VAL A 91 -0.263 1.781 7.770 1.00 0.00 O ATOM 1325 CB VAL A 91 2.921 1.951 8.464 1.00 0.00 C ATOM 1326 CG1 VAL A 91 4.176 2.824 8.511 1.00 0.00 C ATOM 1327 CG2 VAL A 91 2.157 2.018 9.788 1.00 0.00 C ATOM 0 H VAL A 91 1.056 3.948 8.237 1.00 0.00 H new ATOM 0 HA VAL A 91 2.609 2.198 6.386 1.00 0.00 H new ATOM 0 HB VAL A 91 3.236 0.919 8.311 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.798 2.522 9.353 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.737 2.705 7.584 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.888 3.869 8.629 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.819 1.732 10.605 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.799 3.035 9.950 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.308 1.335 9.753 1.00 0.00 H new ATOM 1337 N GLY A 92 0.904 0.403 6.409 1.00 0.00 N ATOM 1338 CA GLY A 92 -0.203 -0.517 6.208 1.00 0.00 C ATOM 1339 C GLY A 92 0.299 -1.954 6.052 1.00 0.00 C ATOM 1340 O GLY A 92 1.486 -2.179 5.823 1.00 0.00 O ATOM 0 H GLY A 92 1.762 0.151 5.918 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.888 -0.457 7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.766 -0.226 5.321 1.00 0.00 H new ATOM 1344 N THR A 93 -0.630 -2.890 6.185 1.00 0.00 N ATOM 1345 CA THR A 93 -0.296 -4.298 6.063 1.00 0.00 C ATOM 1346 C THR A 93 -1.396 -5.043 5.302 1.00 0.00 C ATOM 1347 O THR A 93 -2.517 -4.552 5.188 1.00 0.00 O ATOM 1348 CB THR A 93 -0.050 -4.850 7.468 1.00 0.00 C ATOM 1349 OG1 THR A 93 0.593 -3.779 8.155 1.00 0.00 O ATOM 1350 CG2 THR A 93 0.985 -5.976 7.483 1.00 0.00 C ATOM 0 H THR A 93 -1.614 -2.700 6.376 1.00 0.00 H new ATOM 0 HA THR A 93 0.614 -4.439 5.479 1.00 0.00 H new ATOM 0 HB THR A 93 -0.989 -5.215 7.883 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.788 -4.051 9.076 1.00 0.00 H new ATOM 0 HG21 THR A 93 1.121 -6.331 8.504 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.638 -6.798 6.856 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.934 -5.603 7.099 1.00 0.00 H new ATOM 1358 N ILE A 94 -1.034 -6.215 4.801 1.00 0.00 N ATOM 1359 CA ILE A 94 -1.976 -7.032 4.054 1.00 0.00 C ATOM 1360 C ILE A 94 -1.734 -8.507 4.379 1.00 0.00 C ATOM 1361 O ILE A 94 -0.596 -8.973 4.353 1.00 0.00 O ATOM 1362 CB ILE A 94 -1.896 -6.710 2.560 1.00 0.00 C ATOM 1363 CG1 ILE A 94 -2.315 -5.263 2.288 1.00 0.00 C ATOM 1364 CG2 ILE A 94 -2.716 -7.708 1.740 1.00 0.00 C ATOM 1365 CD1 ILE A 94 -1.957 -4.849 0.860 1.00 0.00 C ATOM 0 H ILE A 94 -0.102 -6.618 4.897 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.999 -6.803 4.352 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.858 -6.809 2.244 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.389 -5.156 2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.822 -4.598 2.998 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.642 -7.457 0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.331 -8.715 1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.760 -7.664 2.052 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.265 -3.817 0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -0.880 -4.934 0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.470 -5.500 0.153 1.00 0.00 H new ATOM 1377 N THR A 95 -2.822 -9.200 4.677 1.00 0.00 N ATOM 1378 CA THR A 95 -2.743 -10.613 5.006 1.00 0.00 C ATOM 1379 C THR A 95 -3.469 -11.449 3.949 1.00 0.00 C ATOM 1380 O THR A 95 -4.509 -11.040 3.437 1.00 0.00 O ATOM 1381 CB THR A 95 -3.302 -10.802 6.418 1.00 0.00 C ATOM 1382 OG1 THR A 95 -2.542 -9.897 7.215 1.00 0.00 O ATOM 1383 CG2 THR A 95 -2.971 -12.178 6.999 1.00 0.00 C ATOM 0 H THR A 95 -3.764 -8.809 4.698 1.00 0.00 H new ATOM 0 HA THR A 95 -1.711 -10.963 4.999 1.00 0.00 H new ATOM 0 HB THR A 95 -4.383 -10.665 6.402 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.840 -9.952 8.147 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.390 -12.260 8.002 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.397 -12.954 6.363 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.889 -12.302 7.047 1.00 0.00 H new ATOM 1391 N VAL A 96 -2.890 -12.604 3.656 1.00 0.00 N ATOM 1392 CA VAL A 96 -3.469 -13.501 2.669 1.00 0.00 C ATOM 1393 C VAL A 96 -3.637 -14.890 3.286 1.00 0.00 C ATOM 1394 O VAL A 96 -2.880 -15.809 2.972 1.00 0.00 O ATOM 1395 CB VAL A 96 -2.611 -13.508 1.402 1.00 0.00 C ATOM 1396 CG1 VAL A 96 -2.922 -14.731 0.536 1.00 0.00 C ATOM 1397 CG2 VAL A 96 -2.793 -12.213 0.609 1.00 0.00 C ATOM 0 H VAL A 96 -2.027 -12.940 4.084 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.459 -13.156 2.372 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.566 -13.570 1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.299 -14.712 -0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.716 -15.639 1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.973 -14.714 0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.172 -12.244 -0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.839 -12.106 0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.498 -11.364 1.226 1.00 0.00 H new ATOM 1407 N GLU A 97 -4.632 -15.002 4.153 1.00 0.00 N ATOM 1408 CA GLU A 97 -4.908 -16.264 4.817 1.00 0.00 C ATOM 1409 C GLU A 97 -5.661 -17.206 3.874 1.00 0.00 C ATOM 1410 O GLU A 97 -6.540 -17.951 4.306 1.00 0.00 O ATOM 1411 CB GLU A 97 -5.693 -16.043 6.111 1.00 0.00 C ATOM 1412 CG GLU A 97 -5.135 -16.906 7.245 1.00 0.00 C ATOM 1413 CD GLU A 97 -5.872 -16.631 8.557 1.00 0.00 C ATOM 1414 OE1 GLU A 97 -7.016 -17.121 8.679 1.00 0.00 O ATOM 1415 OE2 GLU A 97 -5.275 -15.938 9.409 1.00 0.00 O ATOM 1416 OXT GLU A 97 -5.289 -17.142 2.604 1.00 0.00 O ATOM 0 H GLU A 97 -5.257 -14.239 4.411 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.958 -16.728 5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.647 -14.991 6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.744 -16.284 5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.230 -17.960 6.985 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.072 -16.703 7.372 1.00 0.00 H new