USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 684 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 NoAdj-H: A 64 HIS HD1 : A 64 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 56 CYS SG : rot 164:sc= -1.13! USER MOD Set 1.2: A 59 CYS SG : rot 140:sc= -5.18! USER MOD Set 1.3: A 82 CYS SG : rot -35:sc= -4.92! USER MOD Set 1.4: A 85 CYS SG : rot 149:sc= -5.31! USER MOD Set 2.1: A 44 CYS SG : rot 80:sc= -5.91! USER MOD Set 2.2: A 67 CYS SG : rot -101:sc= -13.2! USER MOD Set 3.1: A 42 HIS : no HD1:sc= 0.968 K(o=2.2,f=-2) USER MOD Set 3.2: A 63 TYR OH : rot -112:sc= 1.19 USER MOD Single : A 1 SER N :NH3+ 150:sc= 0.0352 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0304 USER MOD Single : A 2 HIS : no HD1:sc= -0.391 K(o=-0.39,f=-2.7!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 37:sc= 0.119 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.00194 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 17 THR OG1 : rot 44:sc= 0.105 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0182 X(o=-0.018,f=-0.0059) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -152:sc= 0.404 (180deg=0.121) USER MOD Single : A 37 MET CE :methyl -179:sc= -0.161 (180deg=-0.164) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.1) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -123:sc= -0.473 (180deg=-1.49) USER MOD Single : A 62 SER OG : rot 74:sc= 0.724 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00238 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -172:sc=-0.00898 (180deg=-0.094) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 25.824 69.008 -54.414 1.00 23.32 N ATOM 2 CA SER A 1 24.816 70.076 -54.333 1.00 42.51 C ATOM 3 C SER A 1 23.565 69.664 -55.134 1.00 14.21 C ATOM 4 O SER A 1 23.335 70.141 -56.255 1.00 35.20 O ATOM 5 CB SER A 1 25.420 71.410 -54.835 1.00 63.25 C ATOM 6 OG SER A 1 26.650 71.691 -54.178 1.00 71.15 O ATOM 0 H1 SER A 1 26.775 69.423 -54.350 1.00 23.32 H new ATOM 0 H2 SER A 1 25.685 68.339 -53.630 1.00 23.32 H new ATOM 0 H3 SER A 1 25.725 68.506 -55.319 1.00 23.32 H new ATOM 0 HA SER A 1 24.512 70.228 -53.297 1.00 42.51 H new ATOM 0 HB2 SER A 1 25.582 71.358 -55.912 1.00 63.25 H new ATOM 0 HB3 SER A 1 24.715 72.222 -54.658 1.00 63.25 H new ATOM 0 HG SER A 1 27.014 72.537 -54.512 1.00 71.15 H new ATOM 14 N HIS A 2 22.790 68.728 -54.559 1.00 74.03 N ATOM 15 CA HIS A 2 21.549 68.215 -55.161 1.00 1.23 C ATOM 16 C HIS A 2 20.478 68.073 -54.067 1.00 24.21 C ATOM 17 O HIS A 2 20.770 67.584 -52.966 1.00 55.42 O ATOM 18 CB HIS A 2 21.800 66.852 -55.862 1.00 33.33 C ATOM 19 CG HIS A 2 20.567 66.249 -56.502 1.00 73.41 C ATOM 20 ND1 HIS A 2 19.768 65.359 -55.818 1.00 63.00 N ATOM 21 CD2 HIS A 2 20.030 66.458 -57.731 1.00 61.33 C ATOM 22 CE1 HIS A 2 18.782 65.051 -56.638 1.00 41.30 C ATOM 23 NE2 HIS A 2 18.897 65.693 -57.805 1.00 64.14 N ATOM 0 H HIS A 2 23.009 68.304 -53.658 1.00 74.03 H new ATOM 0 HA HIS A 2 21.200 68.918 -55.918 1.00 1.23 H new ATOM 0 HB2 HIS A 2 22.565 66.985 -56.627 1.00 33.33 H new ATOM 0 HB3 HIS A 2 22.198 66.148 -55.131 1.00 33.33 H new ATOM 0 HD2 HIS A 2 20.422 67.104 -58.503 1.00 61.33 H new ATOM 0 HE1 HIS A 2 17.982 64.366 -56.397 1.00 41.30 H new ATOM 0 HE2 HIS A 2 18.261 65.626 -58.600 1.00 64.14 H new ATOM 31 N MET A 3 19.245 68.502 -54.387 1.00 3.51 N ATOM 32 CA MET A 3 18.105 68.438 -53.461 1.00 54.42 C ATOM 33 C MET A 3 17.555 66.999 -53.408 1.00 42.01 C ATOM 34 O MET A 3 16.666 66.626 -54.186 1.00 20.12 O ATOM 35 CB MET A 3 16.995 69.444 -53.877 1.00 71.23 C ATOM 36 CG MET A 3 17.432 70.919 -53.906 1.00 15.12 C ATOM 37 SD MET A 3 18.608 71.288 -55.229 1.00 33.11 S ATOM 38 CE MET A 3 18.828 73.060 -55.036 1.00 64.42 C ATOM 0 H MET A 3 19.012 68.903 -55.296 1.00 3.51 H new ATOM 0 HA MET A 3 18.446 68.719 -52.464 1.00 54.42 H new ATOM 0 HB2 MET A 3 16.629 69.170 -54.866 1.00 71.23 H new ATOM 0 HB3 MET A 3 16.157 69.342 -53.188 1.00 71.23 H new ATOM 0 HG2 MET A 3 16.551 71.550 -54.025 1.00 15.12 H new ATOM 0 HG3 MET A 3 17.881 71.177 -52.947 1.00 15.12 H new ATOM 0 HE1 MET A 3 19.529 73.424 -55.787 1.00 64.42 H new ATOM 0 HE2 MET A 3 17.869 73.562 -55.162 1.00 64.42 H new ATOM 0 HE3 MET A 3 19.220 73.272 -54.041 1.00 64.42 H new ATOM 48 N SER A 4 18.116 66.187 -52.508 1.00 61.54 N ATOM 49 CA SER A 4 17.728 64.778 -52.337 1.00 22.01 C ATOM 50 C SER A 4 17.257 64.535 -50.890 1.00 34.34 C ATOM 51 O SER A 4 17.788 65.143 -49.952 1.00 64.01 O ATOM 52 CB SER A 4 18.918 63.865 -52.692 1.00 34.53 C ATOM 53 OG SER A 4 18.551 62.502 -52.625 1.00 1.12 O ATOM 0 H SER A 4 18.856 66.487 -51.873 1.00 61.54 H new ATOM 0 HA SER A 4 16.902 64.543 -53.008 1.00 22.01 H new ATOM 0 HB2 SER A 4 19.274 64.100 -53.695 1.00 34.53 H new ATOM 0 HB3 SER A 4 19.744 64.056 -52.007 1.00 34.53 H new ATOM 0 HG SER A 4 19.323 61.944 -52.856 1.00 1.12 H new ATOM 59 N GLY A 5 16.237 63.669 -50.728 1.00 22.45 N ATOM 60 CA GLY A 5 15.722 63.287 -49.409 1.00 54.30 C ATOM 61 C GLY A 5 16.450 62.072 -48.852 1.00 20.34 C ATOM 62 O GLY A 5 17.146 62.169 -47.832 1.00 74.25 O ATOM 0 H GLY A 5 15.753 63.220 -51.506 1.00 22.45 H new ATOM 0 HA2 GLY A 5 15.830 64.124 -48.719 1.00 54.30 H new ATOM 0 HA3 GLY A 5 14.656 63.071 -49.483 1.00 54.30 H new ATOM 66 N GLY A 6 16.295 60.929 -49.554 1.00 71.11 N ATOM 67 CA GLY A 6 16.941 59.669 -49.175 1.00 63.12 C ATOM 68 C GLY A 6 16.411 59.091 -47.866 1.00 71.10 C ATOM 69 O GLY A 6 17.180 58.553 -47.063 1.00 32.32 O ATOM 0 H GLY A 6 15.720 60.861 -50.394 1.00 71.11 H new ATOM 0 HA2 GLY A 6 16.795 58.940 -49.972 1.00 63.12 H new ATOM 0 HA3 GLY A 6 18.015 59.832 -49.084 1.00 63.12 H new ATOM 73 N SER A 7 15.089 59.217 -47.647 1.00 60.10 N ATOM 74 CA SER A 7 14.420 58.762 -46.417 1.00 23.33 C ATOM 75 C SER A 7 13.023 58.186 -46.757 1.00 31.32 C ATOM 76 O SER A 7 12.167 58.925 -47.253 1.00 5.23 O ATOM 77 CB SER A 7 14.325 59.939 -45.413 1.00 4.54 C ATOM 78 OG SER A 7 13.782 61.106 -46.013 1.00 13.45 O ATOM 0 H SER A 7 14.453 59.640 -48.323 1.00 60.10 H new ATOM 0 HA SER A 7 15.001 57.966 -45.952 1.00 23.33 H new ATOM 0 HB2 SER A 7 13.705 59.644 -44.566 1.00 4.54 H new ATOM 0 HB3 SER A 7 15.317 60.161 -45.020 1.00 4.54 H new ATOM 0 HG SER A 7 13.078 60.851 -46.645 1.00 13.45 H new ATOM 84 N PRO A 8 12.782 56.846 -46.539 1.00 64.31 N ATOM 85 CA PRO A 8 11.461 56.215 -46.791 1.00 33.51 C ATOM 86 C PRO A 8 10.403 56.612 -45.726 1.00 53.44 C ATOM 87 O PRO A 8 10.174 55.891 -44.744 1.00 43.24 O ATOM 88 CB PRO A 8 11.783 54.695 -46.788 1.00 33.34 C ATOM 89 CG PRO A 8 13.005 54.556 -45.924 1.00 31.12 C ATOM 90 CD PRO A 8 13.790 55.846 -46.080 1.00 2.32 C ATOM 0 HA PRO A 8 11.008 56.540 -47.727 1.00 33.51 H new ATOM 0 HB2 PRO A 8 10.950 54.116 -46.389 1.00 33.34 H new ATOM 0 HB3 PRO A 8 11.970 54.330 -47.798 1.00 33.34 H new ATOM 0 HG2 PRO A 8 12.728 54.394 -44.882 1.00 31.12 H new ATOM 0 HG3 PRO A 8 13.603 53.698 -46.232 1.00 31.12 H new ATOM 0 HD2 PRO A 8 14.248 56.148 -45.138 1.00 2.32 H new ATOM 0 HD3 PRO A 8 14.596 55.734 -46.805 1.00 2.32 H new ATOM 98 N LEU A 9 9.802 57.795 -45.920 1.00 50.53 N ATOM 99 CA LEU A 9 8.762 58.344 -45.030 1.00 73.33 C ATOM 100 C LEU A 9 7.390 57.753 -45.409 1.00 65.02 C ATOM 101 O LEU A 9 6.789 58.152 -46.412 1.00 75.20 O ATOM 102 CB LEU A 9 8.745 59.896 -45.137 1.00 4.51 C ATOM 103 CG LEU A 9 10.089 60.623 -44.806 1.00 3.34 C ATOM 104 CD1 LEU A 9 9.983 62.144 -45.066 1.00 10.01 C ATOM 105 CD2 LEU A 9 10.548 60.331 -43.359 1.00 1.15 C ATOM 0 H LEU A 9 10.025 58.405 -46.706 1.00 50.53 H new ATOM 0 HA LEU A 9 8.982 58.072 -43.998 1.00 73.33 H new ATOM 0 HB2 LEU A 9 8.449 60.167 -46.150 1.00 4.51 H new ATOM 0 HB3 LEU A 9 7.974 60.278 -44.467 1.00 4.51 H new ATOM 0 HG LEU A 9 10.850 60.226 -45.477 1.00 3.34 H new ATOM 0 HD11 LEU A 9 10.933 62.621 -44.826 1.00 10.01 H new ATOM 0 HD12 LEU A 9 9.744 62.318 -46.115 1.00 10.01 H new ATOM 0 HD13 LEU A 9 9.197 62.566 -44.440 1.00 10.01 H new ATOM 0 HD21 LEU A 9 11.485 60.852 -43.162 1.00 1.15 H new ATOM 0 HD22 LEU A 9 9.787 60.677 -42.659 1.00 1.15 H new ATOM 0 HD23 LEU A 9 10.696 59.258 -43.234 1.00 1.15 H new ATOM 117 N ALA A 10 6.916 56.787 -44.610 1.00 63.31 N ATOM 118 CA ALA A 10 5.679 56.034 -44.901 1.00 31.53 C ATOM 119 C ALA A 10 5.056 55.482 -43.610 1.00 1.01 C ATOM 120 O ALA A 10 5.664 55.555 -42.533 1.00 54.41 O ATOM 121 CB ALA A 10 5.990 54.885 -45.885 1.00 64.31 C ATOM 0 H ALA A 10 7.375 56.503 -43.745 1.00 63.31 H new ATOM 0 HA ALA A 10 4.957 56.711 -45.358 1.00 31.53 H new ATOM 0 HB1 ALA A 10 5.076 54.331 -46.098 1.00 64.31 H new ATOM 0 HB2 ALA A 10 6.389 55.298 -46.812 1.00 64.31 H new ATOM 0 HB3 ALA A 10 6.725 54.214 -45.441 1.00 64.31 H new ATOM 127 N THR A 11 3.841 54.921 -43.732 1.00 10.22 N ATOM 128 CA THR A 11 3.159 54.241 -42.624 1.00 14.11 C ATOM 129 C THR A 11 3.713 52.803 -42.511 1.00 23.55 C ATOM 130 O THR A 11 3.162 51.851 -43.075 1.00 32.41 O ATOM 131 CB THR A 11 1.605 54.238 -42.835 1.00 33.44 C ATOM 132 OG1 THR A 11 1.159 55.576 -43.120 1.00 34.33 O ATOM 133 CG2 THR A 11 0.843 53.701 -41.605 1.00 33.33 C ATOM 0 H THR A 11 3.307 54.927 -44.601 1.00 10.22 H new ATOM 0 HA THR A 11 3.350 54.776 -41.694 1.00 14.11 H new ATOM 0 HB THR A 11 1.392 53.572 -43.671 1.00 33.44 H new ATOM 0 HG1 THR A 11 0.188 55.576 -43.254 1.00 34.33 H new ATOM 0 HG21 THR A 11 -0.229 53.720 -41.804 1.00 33.33 H new ATOM 0 HG22 THR A 11 1.156 52.677 -41.402 1.00 33.33 H new ATOM 0 HG23 THR A 11 1.063 54.326 -40.739 1.00 33.33 H new ATOM 141 N GLY A 12 4.855 52.684 -41.814 1.00 32.44 N ATOM 142 CA GLY A 12 5.597 51.424 -41.695 1.00 60.45 C ATOM 143 C GLY A 12 5.133 50.546 -40.543 1.00 71.21 C ATOM 144 O GLY A 12 5.743 49.506 -40.280 1.00 64.21 O ATOM 0 H GLY A 12 5.288 53.462 -41.317 1.00 32.44 H new ATOM 0 HA2 GLY A 12 5.500 50.866 -42.627 1.00 60.45 H new ATOM 0 HA3 GLY A 12 6.656 51.647 -41.566 1.00 60.45 H new ATOM 148 N THR A 13 4.061 50.968 -39.855 1.00 31.32 N ATOM 149 CA THR A 13 3.469 50.216 -38.736 1.00 73.24 C ATOM 150 C THR A 13 2.425 49.198 -39.260 1.00 63.53 C ATOM 151 O THR A 13 1.718 49.461 -40.249 1.00 3.13 O ATOM 152 CB THR A 13 2.816 51.188 -37.693 1.00 53.22 C ATOM 153 OG1 THR A 13 2.345 50.450 -36.558 1.00 63.14 O ATOM 154 CG2 THR A 13 1.651 52.004 -38.288 1.00 32.11 C ATOM 0 H THR A 13 3.578 51.843 -40.059 1.00 31.32 H new ATOM 0 HA THR A 13 4.266 49.667 -38.234 1.00 73.24 H new ATOM 0 HB THR A 13 3.592 51.892 -37.392 1.00 53.22 H new ATOM 0 HG1 THR A 13 1.941 51.066 -35.912 1.00 63.14 H new ATOM 0 HG21 THR A 13 1.237 52.659 -37.522 1.00 32.11 H new ATOM 0 HG22 THR A 13 2.016 52.605 -39.121 1.00 32.11 H new ATOM 0 HG23 THR A 13 0.875 51.325 -38.643 1.00 32.11 H new ATOM 162 N THR A 14 2.355 48.035 -38.591 1.00 11.45 N ATOM 163 CA THR A 14 1.427 46.947 -38.937 1.00 45.45 C ATOM 164 C THR A 14 1.064 46.160 -37.656 1.00 33.11 C ATOM 165 O THR A 14 1.782 45.234 -37.259 1.00 42.31 O ATOM 166 CB THR A 14 2.046 45.983 -40.019 1.00 4.15 C ATOM 167 OG1 THR A 14 2.548 46.742 -41.134 1.00 13.11 O ATOM 168 CG2 THR A 14 1.021 44.957 -40.536 1.00 75.13 C ATOM 0 H THR A 14 2.947 47.822 -37.788 1.00 11.45 H new ATOM 0 HA THR A 14 0.525 47.383 -39.368 1.00 45.45 H new ATOM 0 HB THR A 14 2.858 45.442 -39.534 1.00 4.15 H new ATOM 0 HG1 THR A 14 2.931 46.132 -41.799 1.00 13.11 H new ATOM 0 HG21 THR A 14 1.493 44.314 -41.279 1.00 75.13 H new ATOM 0 HG22 THR A 14 0.664 44.349 -39.705 1.00 75.13 H new ATOM 0 HG23 THR A 14 0.180 45.480 -40.990 1.00 75.13 H new ATOM 176 N ALA A 15 -0.021 46.580 -36.978 1.00 73.43 N ATOM 177 CA ALA A 15 -0.516 45.920 -35.752 1.00 44.50 C ATOM 178 C ALA A 15 -1.559 44.839 -36.112 1.00 35.34 C ATOM 179 O ALA A 15 -2.657 45.160 -36.577 1.00 54.34 O ATOM 180 CB ALA A 15 -1.110 46.963 -34.792 1.00 53.43 C ATOM 0 H ALA A 15 -0.579 47.385 -37.263 1.00 73.43 H new ATOM 0 HA ALA A 15 0.318 45.432 -35.249 1.00 44.50 H new ATOM 0 HB1 ALA A 15 -1.472 46.465 -33.892 1.00 53.43 H new ATOM 0 HB2 ALA A 15 -0.342 47.688 -34.522 1.00 53.43 H new ATOM 0 HB3 ALA A 15 -1.938 47.477 -35.280 1.00 53.43 H new ATOM 186 N ASN A 16 -1.199 43.565 -35.899 1.00 41.02 N ATOM 187 CA ASN A 16 -2.042 42.409 -36.260 1.00 53.35 C ATOM 188 C ASN A 16 -1.842 41.281 -35.230 1.00 64.44 C ATOM 189 O ASN A 16 -0.979 40.411 -35.399 1.00 23.24 O ATOM 190 CB ASN A 16 -1.687 41.940 -37.702 1.00 64.34 C ATOM 191 CG ASN A 16 -2.464 40.708 -38.194 1.00 60.43 C ATOM 192 OD1 ASN A 16 -3.604 40.467 -37.807 1.00 42.34 O ATOM 193 ND2 ASN A 16 -1.850 39.928 -39.067 1.00 72.13 N ATOM 0 H ASN A 16 -0.312 43.303 -35.470 1.00 41.02 H new ATOM 0 HA ASN A 16 -3.094 42.692 -36.246 1.00 53.35 H new ATOM 0 HB2 ASN A 16 -1.869 42.765 -38.391 1.00 64.34 H new ATOM 0 HB3 ASN A 16 -0.620 41.719 -37.744 1.00 64.34 H new ATOM 0 HD21 ASN A 16 -2.324 39.103 -39.436 1.00 72.13 H new ATOM 0 HD22 ASN A 16 -0.903 40.151 -39.372 1.00 72.13 H new ATOM 200 N THR A 17 -2.610 41.342 -34.127 1.00 32.40 N ATOM 201 CA THR A 17 -2.579 40.336 -33.048 1.00 50.23 C ATOM 202 C THR A 17 -4.021 40.086 -32.547 1.00 70.43 C ATOM 203 O THR A 17 -4.618 40.949 -31.895 1.00 54.54 O ATOM 204 CB THR A 17 -1.652 40.801 -31.866 1.00 23.33 C ATOM 205 OG1 THR A 17 -1.933 42.175 -31.540 1.00 50.52 O ATOM 206 CG2 THR A 17 -0.149 40.646 -32.184 1.00 60.11 C ATOM 0 H THR A 17 -3.275 42.097 -33.958 1.00 32.40 H new ATOM 0 HA THR A 17 -2.165 39.407 -33.440 1.00 50.23 H new ATOM 0 HB THR A 17 -1.871 40.153 -31.017 1.00 23.33 H new ATOM 0 HG1 THR A 17 -2.903 42.317 -31.529 1.00 50.52 H new ATOM 0 HG21 THR A 17 0.440 40.983 -31.331 1.00 60.11 H new ATOM 0 HG22 THR A 17 0.074 39.599 -32.388 1.00 60.11 H new ATOM 0 HG23 THR A 17 0.102 41.247 -33.058 1.00 60.11 H new ATOM 214 N ARG A 18 -4.571 38.907 -32.885 1.00 5.01 N ATOM 215 CA ARG A 18 -5.963 38.522 -32.576 1.00 14.02 C ATOM 216 C ARG A 18 -6.010 37.062 -32.087 1.00 40.10 C ATOM 217 O ARG A 18 -5.364 36.187 -32.674 1.00 74.44 O ATOM 218 CB ARG A 18 -6.831 38.695 -33.852 1.00 63.24 C ATOM 219 CG ARG A 18 -8.278 38.153 -33.750 1.00 52.32 C ATOM 220 CD ARG A 18 -9.048 38.248 -35.079 1.00 60.45 C ATOM 221 NE ARG A 18 -10.334 37.536 -35.021 1.00 21.35 N ATOM 222 CZ ARG A 18 -11.063 37.151 -36.081 1.00 24.22 C ATOM 223 NH1 ARG A 18 -10.664 37.407 -37.321 1.00 14.11 N ATOM 224 NH2 ARG A 18 -12.191 36.501 -35.889 1.00 65.33 N ATOM 0 H ARG A 18 -4.056 38.184 -33.387 1.00 5.01 H new ATOM 0 HA ARG A 18 -6.355 39.161 -31.784 1.00 14.02 H new ATOM 0 HB2 ARG A 18 -6.875 39.756 -34.100 1.00 63.24 H new ATOM 0 HB3 ARG A 18 -6.331 38.194 -34.681 1.00 63.24 H new ATOM 0 HG2 ARG A 18 -8.249 37.113 -33.426 1.00 52.32 H new ATOM 0 HG3 ARG A 18 -8.816 38.710 -32.983 1.00 52.32 H new ATOM 0 HD2 ARG A 18 -9.224 39.296 -35.322 1.00 60.45 H new ATOM 0 HD3 ARG A 18 -8.439 37.832 -35.882 1.00 60.45 H new ATOM 0 HE ARG A 18 -10.704 37.316 -34.096 1.00 21.35 H new ATOM 0 HH11 ARG A 18 -9.789 37.905 -37.483 1.00 14.11 H new ATOM 0 HH12 ARG A 18 -11.233 37.106 -38.112 1.00 14.11 H new ATOM 0 HH21 ARG A 18 -12.505 36.294 -34.941 1.00 65.33 H new ATOM 0 HH22 ARG A 18 -12.751 36.205 -36.688 1.00 65.33 H new ATOM 238 N GLY A 19 -6.782 36.813 -31.015 1.00 63.31 N ATOM 239 CA GLY A 19 -7.006 35.461 -30.495 1.00 42.01 C ATOM 240 C GLY A 19 -7.120 35.447 -28.980 1.00 62.34 C ATOM 241 O GLY A 19 -6.116 35.638 -28.285 1.00 74.41 O ATOM 0 H GLY A 19 -7.264 37.542 -30.490 1.00 63.31 H new ATOM 0 HA2 GLY A 19 -7.917 35.051 -30.931 1.00 42.01 H new ATOM 0 HA3 GLY A 19 -6.185 34.813 -30.803 1.00 42.01 H new ATOM 245 N ALA A 20 -8.343 35.228 -28.465 1.00 4.04 N ATOM 246 CA ALA A 20 -8.609 35.183 -27.020 1.00 61.11 C ATOM 247 C ALA A 20 -9.831 34.294 -26.727 1.00 55.34 C ATOM 248 O ALA A 20 -10.967 34.783 -26.647 1.00 12.12 O ATOM 249 CB ALA A 20 -8.806 36.604 -26.451 1.00 33.44 C ATOM 0 H ALA A 20 -9.172 35.078 -29.040 1.00 4.04 H new ATOM 0 HA ALA A 20 -7.743 34.746 -26.524 1.00 61.11 H new ATOM 0 HB1 ALA A 20 -9.001 36.543 -25.380 1.00 33.44 H new ATOM 0 HB2 ALA A 20 -7.905 37.193 -26.623 1.00 33.44 H new ATOM 0 HB3 ALA A 20 -9.651 37.081 -26.948 1.00 33.44 H new ATOM 255 N SER A 21 -9.586 32.978 -26.607 1.00 34.30 N ATOM 256 CA SER A 21 -10.619 31.975 -26.289 1.00 51.13 C ATOM 257 C SER A 21 -9.978 30.780 -25.551 1.00 22.33 C ATOM 258 O SER A 21 -9.324 29.935 -26.177 1.00 24.01 O ATOM 259 CB SER A 21 -11.326 31.494 -27.590 1.00 64.43 C ATOM 260 OG SER A 21 -11.946 32.570 -28.278 1.00 52.25 O ATOM 0 H SER A 21 -8.657 32.576 -26.729 1.00 34.30 H new ATOM 0 HA SER A 21 -11.367 32.431 -25.641 1.00 51.13 H new ATOM 0 HB2 SER A 21 -10.598 31.015 -28.244 1.00 64.43 H new ATOM 0 HB3 SER A 21 -12.074 30.742 -27.341 1.00 64.43 H new ATOM 0 HG SER A 21 -12.379 32.233 -29.090 1.00 52.25 H new ATOM 266 N GLN A 22 -10.107 30.754 -24.212 1.00 54.22 N ATOM 267 CA GLN A 22 -9.681 29.608 -23.369 1.00 72.31 C ATOM 268 C GLN A 22 -10.892 28.715 -23.033 1.00 62.25 C ATOM 269 O GLN A 22 -12.031 29.027 -23.401 1.00 54.30 O ATOM 270 CB GLN A 22 -8.978 30.079 -22.050 1.00 23.04 C ATOM 271 CG GLN A 22 -7.515 30.569 -22.209 1.00 65.11 C ATOM 272 CD GLN A 22 -7.377 31.909 -22.928 1.00 13.33 C ATOM 273 OE1 GLN A 22 -7.383 32.963 -22.294 1.00 34.32 O ATOM 274 NE2 GLN A 22 -7.244 31.883 -24.248 1.00 41.41 N ATOM 0 H GLN A 22 -10.509 31.524 -23.678 1.00 54.22 H new ATOM 0 HA GLN A 22 -8.954 29.033 -23.943 1.00 72.31 H new ATOM 0 HB2 GLN A 22 -9.567 30.886 -21.614 1.00 23.04 H new ATOM 0 HB3 GLN A 22 -8.991 29.254 -21.338 1.00 23.04 H new ATOM 0 HG2 GLN A 22 -7.062 30.652 -21.221 1.00 65.11 H new ATOM 0 HG3 GLN A 22 -6.949 29.816 -22.757 1.00 65.11 H new ATOM 0 HE21 GLN A 22 -7.243 30.991 -24.743 1.00 41.41 H new ATOM 0 HE22 GLN A 22 -7.143 32.755 -24.768 1.00 41.41 H new ATOM 283 N LYS A 23 -10.606 27.593 -22.350 1.00 30.14 N ATOM 284 CA LYS A 23 -11.609 26.649 -21.822 1.00 31.24 C ATOM 285 C LYS A 23 -10.894 25.677 -20.853 1.00 75.24 C ATOM 286 O LYS A 23 -9.831 26.035 -20.326 1.00 70.01 O ATOM 287 CB LYS A 23 -12.333 25.896 -22.983 1.00 44.44 C ATOM 288 CG LYS A 23 -11.422 25.045 -23.898 1.00 64.04 C ATOM 289 CD LYS A 23 -12.216 24.312 -25.010 1.00 25.23 C ATOM 290 CE LYS A 23 -11.322 23.428 -25.898 1.00 20.40 C ATOM 291 NZ LYS A 23 -12.105 22.682 -26.917 1.00 43.10 N ATOM 0 H LYS A 23 -9.648 27.310 -22.144 1.00 30.14 H new ATOM 0 HA LYS A 23 -12.385 27.187 -21.278 1.00 31.24 H new ATOM 0 HB2 LYS A 23 -13.094 25.245 -22.551 1.00 44.44 H new ATOM 0 HB3 LYS A 23 -12.853 26.629 -23.599 1.00 44.44 H new ATOM 0 HG2 LYS A 23 -10.670 25.688 -24.356 1.00 64.04 H new ATOM 0 HG3 LYS A 23 -10.888 24.312 -23.293 1.00 64.04 H new ATOM 0 HD2 LYS A 23 -12.989 23.695 -24.552 1.00 25.23 H new ATOM 0 HD3 LYS A 23 -12.724 25.048 -25.633 1.00 25.23 H new ATOM 0 HE2 LYS A 23 -10.580 24.051 -26.397 1.00 20.40 H new ATOM 0 HE3 LYS A 23 -10.777 22.721 -25.272 1.00 20.40 H new ATOM 0 HZ1 LYS A 23 -11.462 22.100 -27.492 1.00 43.10 H new ATOM 0 HZ2 LYS A 23 -12.796 22.067 -26.442 1.00 43.10 H new ATOM 0 HZ3 LYS A 23 -12.605 23.355 -27.532 1.00 43.10 H new ATOM 305 N LYS A 24 -11.502 24.481 -20.609 1.00 73.43 N ATOM 306 CA LYS A 24 -10.932 23.394 -19.784 1.00 61.14 C ATOM 307 C LYS A 24 -11.098 23.748 -18.284 1.00 12.51 C ATOM 308 O LYS A 24 -10.304 24.506 -17.714 1.00 51.35 O ATOM 309 CB LYS A 24 -9.435 23.080 -20.186 1.00 73.15 C ATOM 310 CG LYS A 24 -8.874 21.686 -19.799 1.00 11.21 C ATOM 311 CD LYS A 24 -8.685 21.487 -18.275 1.00 70.42 C ATOM 312 CE LYS A 24 -8.001 20.161 -17.927 1.00 41.31 C ATOM 313 NZ LYS A 24 -7.969 19.934 -16.456 1.00 64.22 N ATOM 0 H LYS A 24 -12.419 24.249 -20.991 1.00 73.43 H new ATOM 0 HA LYS A 24 -11.480 22.471 -19.972 1.00 61.14 H new ATOM 0 HB2 LYS A 24 -9.345 23.192 -21.266 1.00 73.15 H new ATOM 0 HB3 LYS A 24 -8.797 23.839 -19.732 1.00 73.15 H new ATOM 0 HG2 LYS A 24 -9.548 20.917 -20.175 1.00 11.21 H new ATOM 0 HG3 LYS A 24 -7.915 21.540 -20.296 1.00 11.21 H new ATOM 0 HD2 LYS A 24 -8.093 22.311 -17.877 1.00 70.42 H new ATOM 0 HD3 LYS A 24 -9.658 21.528 -17.785 1.00 70.42 H new ATOM 0 HE2 LYS A 24 -8.529 19.340 -18.412 1.00 41.31 H new ATOM 0 HE3 LYS A 24 -6.984 20.161 -18.319 1.00 41.31 H new ATOM 0 HZ1 LYS A 24 -7.148 19.344 -16.214 1.00 64.22 H new ATOM 0 HZ2 LYS A 24 -7.895 20.848 -15.965 1.00 64.22 H new ATOM 0 HZ3 LYS A 24 -8.841 19.451 -16.160 1.00 64.22 H new ATOM 327 N GLY A 25 -12.149 23.189 -17.667 1.00 21.10 N ATOM 328 CA GLY A 25 -12.490 23.477 -16.271 1.00 62.42 C ATOM 329 C GLY A 25 -13.910 23.055 -15.921 1.00 21.00 C ATOM 330 O GLY A 25 -14.247 22.918 -14.740 1.00 3.45 O ATOM 0 H GLY A 25 -12.781 22.529 -18.120 1.00 21.10 H new ATOM 0 HA2 GLY A 25 -11.789 22.962 -15.615 1.00 62.42 H new ATOM 0 HA3 GLY A 25 -12.375 24.545 -16.085 1.00 62.42 H new ATOM 334 N GLY A 26 -14.749 22.845 -16.960 1.00 0.21 N ATOM 335 CA GLY A 26 -16.138 22.391 -16.787 1.00 53.14 C ATOM 336 C GLY A 26 -16.279 20.877 -16.576 1.00 52.14 C ATOM 337 O GLY A 26 -17.383 20.331 -16.698 1.00 10.51 O ATOM 0 H GLY A 26 -14.480 22.986 -17.934 1.00 0.21 H new ATOM 0 HA2 GLY A 26 -16.575 22.909 -15.933 1.00 53.14 H new ATOM 0 HA3 GLY A 26 -16.716 22.680 -17.665 1.00 53.14 H new ATOM 341 N GLU A 27 -15.151 20.203 -16.294 1.00 33.35 N ATOM 342 CA GLU A 27 -15.131 18.778 -15.912 1.00 45.43 C ATOM 343 C GLU A 27 -15.606 18.630 -14.440 1.00 64.41 C ATOM 344 O GLU A 27 -15.127 19.368 -13.572 1.00 42.24 O ATOM 345 CB GLU A 27 -13.696 18.203 -16.107 1.00 33.24 C ATOM 346 CG GLU A 27 -12.589 18.991 -15.369 1.00 53.50 C ATOM 347 CD GLU A 27 -11.182 18.436 -15.607 1.00 23.05 C ATOM 348 OE1 GLU A 27 -10.640 18.635 -16.712 1.00 43.40 O ATOM 349 OE2 GLU A 27 -10.615 17.789 -14.708 1.00 52.32 O ATOM 0 H GLU A 27 -14.225 20.630 -16.324 1.00 33.35 H new ATOM 0 HA GLU A 27 -15.811 18.211 -16.548 1.00 45.43 H new ATOM 0 HB2 GLU A 27 -13.681 17.169 -15.762 1.00 33.24 H new ATOM 0 HB3 GLU A 27 -13.465 18.187 -17.172 1.00 33.24 H new ATOM 0 HG2 GLU A 27 -12.619 20.032 -15.690 1.00 53.50 H new ATOM 0 HG3 GLU A 27 -12.799 18.981 -14.299 1.00 53.50 H new ATOM 356 N PRO A 28 -16.613 17.744 -14.146 1.00 21.10 N ATOM 357 CA PRO A 28 -17.057 17.454 -12.769 1.00 74.04 C ATOM 358 C PRO A 28 -16.427 16.147 -12.195 1.00 31.01 C ATOM 359 O PRO A 28 -16.873 15.044 -12.542 1.00 43.00 O ATOM 360 CB PRO A 28 -18.592 17.337 -12.958 1.00 54.11 C ATOM 361 CG PRO A 28 -18.796 16.844 -14.389 1.00 4.02 C ATOM 362 CD PRO A 28 -17.461 17.010 -15.123 1.00 65.44 C ATOM 0 HA PRO A 28 -16.756 18.210 -12.044 1.00 74.04 H new ATOM 0 HB2 PRO A 28 -19.023 16.641 -12.239 1.00 54.11 H new ATOM 0 HB3 PRO A 28 -19.080 18.299 -12.802 1.00 54.11 H new ATOM 0 HG2 PRO A 28 -19.110 15.800 -14.395 1.00 4.02 H new ATOM 0 HG3 PRO A 28 -19.581 17.416 -14.884 1.00 4.02 H new ATOM 0 HD2 PRO A 28 -17.026 16.046 -15.387 1.00 65.44 H new ATOM 0 HD3 PRO A 28 -17.580 17.570 -16.050 1.00 65.44 H new ATOM 370 N PRO A 29 -15.346 16.240 -11.353 1.00 75.41 N ATOM 371 CA PRO A 29 -14.804 15.072 -10.625 1.00 44.15 C ATOM 372 C PRO A 29 -15.666 14.743 -9.390 1.00 23.34 C ATOM 373 O PRO A 29 -16.096 15.652 -8.672 1.00 13.10 O ATOM 374 CB PRO A 29 -13.358 15.508 -10.231 1.00 44.15 C ATOM 375 CG PRO A 29 -13.160 16.886 -10.829 1.00 3.23 C ATOM 376 CD PRO A 29 -14.548 17.452 -11.045 1.00 60.13 C ATOM 0 HA PRO A 29 -14.805 14.161 -11.223 1.00 44.15 H new ATOM 0 HB2 PRO A 29 -13.239 15.532 -9.148 1.00 44.15 H new ATOM 0 HB3 PRO A 29 -12.620 14.805 -10.617 1.00 44.15 H new ATOM 0 HG2 PRO A 29 -12.579 17.522 -10.160 1.00 3.23 H new ATOM 0 HG3 PRO A 29 -12.612 16.828 -11.769 1.00 3.23 H new ATOM 0 HD2 PRO A 29 -14.918 17.967 -10.159 1.00 60.13 H new ATOM 0 HD3 PRO A 29 -14.570 18.171 -11.864 1.00 60.13 H new ATOM 384 N ALA A 30 -15.900 13.446 -9.139 1.00 50.40 N ATOM 385 CA ALA A 30 -16.769 12.982 -8.030 1.00 30.25 C ATOM 386 C ALA A 30 -16.124 13.227 -6.646 1.00 14.33 C ATOM 387 O ALA A 30 -16.826 13.311 -5.630 1.00 13.20 O ATOM 388 CB ALA A 30 -17.126 11.496 -8.223 1.00 33.35 C ATOM 0 H ALA A 30 -15.498 12.688 -9.691 1.00 50.40 H new ATOM 0 HA ALA A 30 -17.687 13.569 -8.056 1.00 30.25 H new ATOM 0 HB1 ALA A 30 -17.764 11.166 -7.403 1.00 33.35 H new ATOM 0 HB2 ALA A 30 -17.654 11.368 -9.168 1.00 33.35 H new ATOM 0 HB3 ALA A 30 -16.213 10.901 -8.234 1.00 33.35 H new ATOM 394 N LEU A 31 -14.789 13.384 -6.631 1.00 43.31 N ATOM 395 CA LEU A 31 -13.999 13.550 -5.392 1.00 50.33 C ATOM 396 C LEU A 31 -13.850 15.028 -4.960 1.00 50.54 C ATOM 397 O LEU A 31 -12.991 15.340 -4.136 1.00 14.25 O ATOM 398 CB LEU A 31 -12.607 12.842 -5.552 1.00 40.44 C ATOM 399 CG LEU A 31 -11.786 13.110 -6.874 1.00 51.41 C ATOM 400 CD1 LEU A 31 -11.311 14.575 -7.003 1.00 43.42 C ATOM 401 CD2 LEU A 31 -10.593 12.139 -6.985 1.00 43.03 C ATOM 0 H LEU A 31 -14.223 13.400 -7.479 1.00 43.31 H new ATOM 0 HA LEU A 31 -14.549 13.070 -4.583 1.00 50.33 H new ATOM 0 HB2 LEU A 31 -11.984 13.135 -4.707 1.00 40.44 H new ATOM 0 HB3 LEU A 31 -12.768 11.767 -5.471 1.00 40.44 H new ATOM 0 HG LEU A 31 -12.469 12.929 -7.704 1.00 51.41 H new ATOM 0 HD11 LEU A 31 -10.753 14.696 -7.931 1.00 43.42 H new ATOM 0 HD12 LEU A 31 -12.176 15.239 -7.010 1.00 43.42 H new ATOM 0 HD13 LEU A 31 -10.669 14.825 -6.158 1.00 43.42 H new ATOM 0 HD21 LEU A 31 -10.042 12.343 -7.903 1.00 43.03 H new ATOM 0 HD22 LEU A 31 -9.933 12.274 -6.128 1.00 43.03 H new ATOM 0 HD23 LEU A 31 -10.960 11.113 -7.002 1.00 43.03 H new ATOM 413 N ILE A 32 -14.669 15.945 -5.518 1.00 34.45 N ATOM 414 CA ILE A 32 -14.696 17.361 -5.054 1.00 74.22 C ATOM 415 C ILE A 32 -15.328 17.473 -3.650 1.00 30.02 C ATOM 416 O ILE A 32 -15.131 18.464 -2.942 1.00 63.33 O ATOM 417 CB ILE A 32 -15.418 18.314 -6.075 1.00 42.22 C ATOM 418 CG1 ILE A 32 -16.876 17.829 -6.364 1.00 63.13 C ATOM 419 CG2 ILE A 32 -14.587 18.444 -7.374 1.00 74.25 C ATOM 420 CD1 ILE A 32 -17.643 18.655 -7.389 1.00 40.12 C ATOM 0 H ILE A 32 -15.315 15.741 -6.281 1.00 34.45 H new ATOM 0 HA ILE A 32 -13.659 17.692 -4.992 1.00 74.22 H new ATOM 0 HB ILE A 32 -15.494 19.305 -5.628 1.00 42.22 H new ATOM 0 HG12 ILE A 32 -16.836 16.796 -6.710 1.00 63.13 H new ATOM 0 HG13 ILE A 32 -17.435 17.831 -5.428 1.00 63.13 H new ATOM 0 HG21 ILE A 32 -15.101 19.107 -8.070 1.00 74.25 H new ATOM 0 HG22 ILE A 32 -13.606 18.856 -7.138 1.00 74.25 H new ATOM 0 HG23 ILE A 32 -14.468 17.461 -7.830 1.00 74.25 H new ATOM 0 HD11 ILE A 32 -18.642 18.238 -7.519 1.00 40.12 H new ATOM 0 HD12 ILE A 32 -17.722 19.685 -7.041 1.00 40.12 H new ATOM 0 HD13 ILE A 32 -17.115 18.634 -8.342 1.00 40.12 H new ATOM 432 N VAL A 33 -16.093 16.438 -3.281 1.00 23.04 N ATOM 433 CA VAL A 33 -16.519 16.189 -1.900 1.00 32.12 C ATOM 434 C VAL A 33 -15.465 15.253 -1.284 1.00 21.40 C ATOM 435 O VAL A 33 -15.360 14.095 -1.715 1.00 51.31 O ATOM 436 CB VAL A 33 -17.944 15.521 -1.836 1.00 62.31 C ATOM 437 CG1 VAL A 33 -18.434 15.369 -0.373 1.00 40.20 C ATOM 438 CG2 VAL A 33 -18.964 16.310 -2.688 1.00 42.31 C ATOM 0 H VAL A 33 -16.437 15.742 -3.942 1.00 23.04 H new ATOM 0 HA VAL A 33 -16.596 17.129 -1.354 1.00 32.12 H new ATOM 0 HB VAL A 33 -17.859 14.519 -2.257 1.00 62.31 H new ATOM 0 HG11 VAL A 33 -19.420 14.905 -0.366 1.00 40.20 H new ATOM 0 HG12 VAL A 33 -17.735 14.744 0.182 1.00 40.20 H new ATOM 0 HG13 VAL A 33 -18.492 16.352 0.095 1.00 40.20 H new ATOM 0 HG21 VAL A 33 -19.940 15.828 -2.627 1.00 42.31 H new ATOM 0 HG22 VAL A 33 -19.039 17.331 -2.313 1.00 42.31 H new ATOM 0 HG23 VAL A 33 -18.633 16.329 -3.726 1.00 42.31 H new ATOM 448 N ASP A 34 -14.683 15.778 -0.314 1.00 65.34 N ATOM 449 CA ASP A 34 -13.461 15.133 0.221 1.00 14.41 C ATOM 450 C ASP A 34 -12.394 15.037 -0.902 1.00 62.34 C ATOM 451 O ASP A 34 -12.367 14.050 -1.646 1.00 24.23 O ATOM 452 CB ASP A 34 -13.757 13.748 0.876 1.00 60.15 C ATOM 453 CG ASP A 34 -12.532 13.098 1.564 1.00 73.45 C ATOM 454 OD1 ASP A 34 -11.635 12.598 0.857 1.00 3.42 O ATOM 455 OD2 ASP A 34 -12.466 13.083 2.818 1.00 14.33 O ATOM 0 H ASP A 34 -14.886 16.675 0.126 1.00 65.34 H new ATOM 0 HA ASP A 34 -13.066 15.754 1.025 1.00 14.41 H new ATOM 0 HB2 ASP A 34 -14.552 13.869 1.612 1.00 60.15 H new ATOM 0 HB3 ASP A 34 -14.133 13.069 0.110 1.00 60.15 H new ATOM 460 N PRO A 35 -11.546 16.095 -1.089 1.00 30.23 N ATOM 461 CA PRO A 35 -10.488 16.107 -2.127 1.00 65.12 C ATOM 462 C PRO A 35 -9.130 15.534 -1.648 1.00 64.25 C ATOM 463 O PRO A 35 -8.246 15.283 -2.476 1.00 52.22 O ATOM 464 CB PRO A 35 -10.391 17.617 -2.456 1.00 30.52 C ATOM 465 CG PRO A 35 -10.696 18.324 -1.158 1.00 54.50 C ATOM 466 CD PRO A 35 -11.572 17.384 -0.340 1.00 22.42 C ATOM 0 HA PRO A 35 -10.728 15.469 -2.978 1.00 65.12 H new ATOM 0 HB2 PRO A 35 -9.398 17.877 -2.823 1.00 30.52 H new ATOM 0 HB3 PRO A 35 -11.101 17.897 -3.234 1.00 30.52 H new ATOM 0 HG2 PRO A 35 -9.777 18.561 -0.622 1.00 54.50 H new ATOM 0 HG3 PRO A 35 -11.209 19.268 -1.343 1.00 54.50 H new ATOM 0 HD2 PRO A 35 -11.185 17.262 0.672 1.00 22.42 H new ATOM 0 HD3 PRO A 35 -12.588 17.768 -0.249 1.00 22.42 H new ATOM 474 N LEU A 36 -8.976 15.323 -0.325 1.00 53.25 N ATOM 475 CA LEU A 36 -7.701 14.870 0.271 1.00 41.24 C ATOM 476 C LEU A 36 -7.622 13.326 0.183 1.00 11.24 C ATOM 477 O LEU A 36 -6.944 12.794 -0.706 1.00 70.20 O ATOM 478 CB LEU A 36 -7.567 15.405 1.742 1.00 41.32 C ATOM 479 CG LEU A 36 -6.115 15.595 2.321 1.00 15.11 C ATOM 480 CD1 LEU A 36 -5.366 14.263 2.531 1.00 32.23 C ATOM 481 CD2 LEU A 36 -5.295 16.569 1.441 1.00 44.01 C ATOM 0 H LEU A 36 -9.724 15.460 0.355 1.00 53.25 H new ATOM 0 HA LEU A 36 -6.856 15.278 -0.284 1.00 41.24 H new ATOM 0 HB2 LEU A 36 -8.079 16.366 1.798 1.00 41.32 H new ATOM 0 HB3 LEU A 36 -8.103 14.720 2.399 1.00 41.32 H new ATOM 0 HG LEU A 36 -6.231 16.034 3.312 1.00 15.11 H new ATOM 0 HD11 LEU A 36 -4.372 14.464 2.932 1.00 32.23 H new ATOM 0 HD12 LEU A 36 -5.921 13.640 3.232 1.00 32.23 H new ATOM 0 HD13 LEU A 36 -5.275 13.743 1.578 1.00 32.23 H new ATOM 0 HD21 LEU A 36 -4.296 16.685 1.860 1.00 44.01 H new ATOM 0 HD22 LEU A 36 -5.220 16.170 0.429 1.00 44.01 H new ATOM 0 HD23 LEU A 36 -5.791 17.539 1.413 1.00 44.01 H new ATOM 493 N MET A 37 -8.344 12.624 1.093 1.00 1.14 N ATOM 494 CA MET A 37 -8.450 11.152 1.092 1.00 63.44 C ATOM 495 C MET A 37 -9.516 10.697 2.114 1.00 15.22 C ATOM 496 O MET A 37 -9.458 11.037 3.298 1.00 33.44 O ATOM 497 CB MET A 37 -7.083 10.442 1.388 1.00 14.23 C ATOM 498 CG MET A 37 -6.491 10.684 2.786 1.00 32.32 C ATOM 499 SD MET A 37 -4.963 9.771 3.082 1.00 22.03 S ATOM 500 CE MET A 37 -4.632 10.219 4.788 1.00 35.43 C ATOM 0 H MET A 37 -8.868 13.068 1.847 1.00 1.14 H new ATOM 0 HA MET A 37 -8.750 10.856 0.087 1.00 63.44 H new ATOM 0 HB2 MET A 37 -7.216 9.369 1.251 1.00 14.23 H new ATOM 0 HB3 MET A 37 -6.356 10.770 0.645 1.00 14.23 H new ATOM 0 HG2 MET A 37 -6.300 11.750 2.912 1.00 32.32 H new ATOM 0 HG3 MET A 37 -7.227 10.401 3.539 1.00 32.32 H new ATOM 0 HE1 MET A 37 -3.706 9.747 5.115 1.00 35.43 H new ATOM 0 HE2 MET A 37 -4.535 11.302 4.868 1.00 35.43 H new ATOM 0 HE3 MET A 37 -5.454 9.881 5.419 1.00 35.43 H new ATOM 510 N LYS A 38 -10.513 9.954 1.627 1.00 64.25 N ATOM 511 CA LYS A 38 -11.469 9.211 2.469 1.00 32.41 C ATOM 512 C LYS A 38 -10.867 7.797 2.718 1.00 53.24 C ATOM 513 O LYS A 38 -11.556 6.771 2.691 1.00 34.24 O ATOM 514 CB LYS A 38 -12.831 9.159 1.706 1.00 62.33 C ATOM 515 CG LYS A 38 -13.982 8.394 2.421 1.00 12.33 C ATOM 516 CD LYS A 38 -14.937 7.687 1.420 1.00 72.54 C ATOM 517 CE LYS A 38 -15.851 6.653 2.098 1.00 3.22 C ATOM 518 NZ LYS A 38 -16.680 5.913 1.110 1.00 34.41 N ATOM 0 H LYS A 38 -10.686 9.847 0.627 1.00 64.25 H new ATOM 0 HA LYS A 38 -11.644 9.682 3.436 1.00 32.41 H new ATOM 0 HB2 LYS A 38 -13.161 10.181 1.520 1.00 62.33 H new ATOM 0 HB3 LYS A 38 -12.663 8.697 0.733 1.00 62.33 H new ATOM 0 HG2 LYS A 38 -13.556 7.653 3.097 1.00 12.33 H new ATOM 0 HG3 LYS A 38 -14.554 9.092 3.032 1.00 12.33 H new ATOM 0 HD2 LYS A 38 -15.551 8.436 0.920 1.00 72.54 H new ATOM 0 HD3 LYS A 38 -14.346 7.193 0.649 1.00 72.54 H new ATOM 0 HE2 LYS A 38 -15.243 5.947 2.663 1.00 3.22 H new ATOM 0 HE3 LYS A 38 -16.502 7.157 2.813 1.00 3.22 H new ATOM 0 HZ1 LYS A 38 -17.282 5.226 1.607 1.00 34.41 H new ATOM 0 HZ2 LYS A 38 -17.279 6.584 0.588 1.00 34.41 H new ATOM 0 HZ3 LYS A 38 -16.060 5.411 0.443 1.00 34.41 H new ATOM 532 N TYR A 39 -9.538 7.776 2.981 1.00 33.14 N ATOM 533 CA TYR A 39 -8.708 6.559 2.926 1.00 25.15 C ATOM 534 C TYR A 39 -8.818 5.902 1.533 1.00 62.42 C ATOM 535 O TYR A 39 -8.699 4.691 1.378 1.00 51.54 O ATOM 536 CB TYR A 39 -9.059 5.589 4.088 1.00 65.34 C ATOM 537 CG TYR A 39 -8.773 6.198 5.475 1.00 53.55 C ATOM 538 CD1 TYR A 39 -7.494 6.139 6.033 1.00 1.53 C ATOM 539 CD2 TYR A 39 -9.770 6.856 6.206 1.00 44.33 C ATOM 540 CE1 TYR A 39 -7.218 6.710 7.262 1.00 44.21 C ATOM 541 CE2 TYR A 39 -9.496 7.434 7.433 1.00 24.21 C ATOM 542 CZ TYR A 39 -8.221 7.351 7.959 1.00 14.34 C ATOM 543 OH TYR A 39 -7.943 7.931 9.180 1.00 62.04 O ATOM 0 H TYR A 39 -9.013 8.612 3.239 1.00 33.14 H new ATOM 0 HA TYR A 39 -7.662 6.832 3.068 1.00 25.15 H new ATOM 0 HB2 TYR A 39 -10.113 5.318 4.024 1.00 65.34 H new ATOM 0 HB3 TYR A 39 -8.486 4.669 3.974 1.00 65.34 H new ATOM 0 HD1 TYR A 39 -6.704 5.637 5.494 1.00 1.53 H new ATOM 0 HD2 TYR A 39 -10.771 6.913 5.805 1.00 44.33 H new ATOM 0 HE1 TYR A 39 -6.221 6.654 7.674 1.00 44.21 H new ATOM 0 HE2 TYR A 39 -10.275 7.948 7.977 1.00 24.21 H new ATOM 0 HH TYR A 39 -8.757 8.342 9.540 1.00 62.04 H new ATOM 553 N ILE A 40 -8.987 6.767 0.514 1.00 1.32 N ATOM 554 CA ILE A 40 -9.119 6.361 -0.882 1.00 12.40 C ATOM 555 C ILE A 40 -7.740 6.001 -1.456 1.00 73.51 C ATOM 556 O ILE A 40 -6.804 6.812 -1.396 1.00 11.11 O ATOM 557 CB ILE A 40 -9.802 7.501 -1.733 1.00 52.34 C ATOM 558 CG1 ILE A 40 -11.306 7.642 -1.344 1.00 21.34 C ATOM 559 CG2 ILE A 40 -9.640 7.266 -3.251 1.00 21.44 C ATOM 560 CD1 ILE A 40 -12.065 8.745 -2.069 1.00 42.44 C ATOM 0 H ILE A 40 -9.035 7.777 0.648 1.00 1.32 H new ATOM 0 HA ILE A 40 -9.758 5.479 -0.932 1.00 12.40 H new ATOM 0 HB ILE A 40 -9.293 8.437 -1.501 1.00 52.34 H new ATOM 0 HG12 ILE A 40 -11.805 6.692 -1.538 1.00 21.34 H new ATOM 0 HG13 ILE A 40 -11.371 7.823 -0.271 1.00 21.34 H new ATOM 0 HG21 ILE A 40 -10.125 8.074 -3.798 1.00 21.44 H new ATOM 0 HG22 ILE A 40 -8.580 7.241 -3.504 1.00 21.44 H new ATOM 0 HG23 ILE A 40 -10.100 6.316 -3.523 1.00 21.44 H new ATOM 0 HD11 ILE A 40 -13.100 8.759 -1.728 1.00 42.44 H new ATOM 0 HD12 ILE A 40 -11.599 9.707 -1.857 1.00 42.44 H new ATOM 0 HD13 ILE A 40 -12.040 8.559 -3.143 1.00 42.44 H new ATOM 572 N CYS A 41 -7.650 4.772 -2.005 1.00 31.23 N ATOM 573 CA CYS A 41 -6.460 4.262 -2.679 1.00 53.24 C ATOM 574 C CYS A 41 -6.036 5.224 -3.798 1.00 52.03 C ATOM 575 O CYS A 41 -6.770 5.426 -4.778 1.00 51.54 O ATOM 576 CB CYS A 41 -6.740 2.862 -3.241 1.00 43.33 C ATOM 577 SG CYS A 41 -5.328 2.059 -4.084 1.00 60.51 S ATOM 0 H CYS A 41 -8.420 4.103 -1.987 1.00 31.23 H new ATOM 0 HA CYS A 41 -5.643 4.190 -1.962 1.00 53.24 H new ATOM 0 HB2 CYS A 41 -7.067 2.219 -2.424 1.00 43.33 H new ATOM 0 HB3 CYS A 41 -7.570 2.930 -3.944 1.00 43.33 H new ATOM 582 N HIS A 42 -4.837 5.792 -3.619 1.00 5.13 N ATOM 583 CA HIS A 42 -4.263 6.861 -4.458 1.00 40.42 C ATOM 584 C HIS A 42 -3.972 6.389 -5.909 1.00 52.11 C ATOM 585 O HIS A 42 -3.570 7.190 -6.753 1.00 34.53 O ATOM 586 CB HIS A 42 -2.983 7.384 -3.748 1.00 43.10 C ATOM 587 CG HIS A 42 -2.412 8.665 -4.292 1.00 50.14 C ATOM 588 ND1 HIS A 42 -1.081 8.814 -4.608 1.00 2.33 N ATOM 589 CD2 HIS A 42 -2.988 9.871 -4.533 1.00 42.52 C ATOM 590 CE1 HIS A 42 -0.861 10.041 -5.023 1.00 31.32 C ATOM 591 NE2 HIS A 42 -2.000 10.702 -4.983 1.00 74.12 N ATOM 0 H HIS A 42 -4.215 5.513 -2.860 1.00 5.13 H new ATOM 0 HA HIS A 42 -4.988 7.668 -4.565 1.00 40.42 H new ATOM 0 HB2 HIS A 42 -3.209 7.528 -2.692 1.00 43.10 H new ATOM 0 HB3 HIS A 42 -2.216 6.612 -3.807 1.00 43.10 H new ATOM 0 HD2 HIS A 42 -4.029 10.125 -4.395 1.00 42.52 H new ATOM 0 HE1 HIS A 42 0.091 10.440 -5.342 1.00 31.32 H new ATOM 0 HE2 HIS A 42 -2.125 11.679 -5.246 1.00 74.12 H new ATOM 600 N ILE A 43 -4.200 5.093 -6.188 1.00 32.12 N ATOM 601 CA ILE A 43 -4.031 4.493 -7.523 1.00 43.12 C ATOM 602 C ILE A 43 -5.407 4.046 -8.098 1.00 54.31 C ATOM 603 O ILE A 43 -5.638 4.129 -9.311 1.00 62.25 O ATOM 604 CB ILE A 43 -3.021 3.279 -7.452 1.00 15.14 C ATOM 605 CG1 ILE A 43 -1.638 3.764 -6.898 1.00 44.42 C ATOM 606 CG2 ILE A 43 -2.854 2.592 -8.831 1.00 11.13 C ATOM 607 CD1 ILE A 43 -0.571 2.686 -6.776 1.00 73.53 C ATOM 0 H ILE A 43 -4.511 4.425 -5.483 1.00 32.12 H new ATOM 0 HA ILE A 43 -3.615 5.243 -8.196 1.00 43.12 H new ATOM 0 HB ILE A 43 -3.433 2.535 -6.770 1.00 15.14 H new ATOM 0 HG12 ILE A 43 -1.261 4.553 -7.549 1.00 44.42 H new ATOM 0 HG13 ILE A 43 -1.795 4.209 -5.916 1.00 44.42 H new ATOM 0 HG21 ILE A 43 -2.152 1.763 -8.742 1.00 11.13 H new ATOM 0 HG22 ILE A 43 -3.819 2.216 -9.169 1.00 11.13 H new ATOM 0 HG23 ILE A 43 -2.473 3.314 -9.553 1.00 11.13 H new ATOM 0 HD11 ILE A 43 0.346 3.125 -6.384 1.00 73.53 H new ATOM 0 HD12 ILE A 43 -0.918 1.905 -6.099 1.00 73.53 H new ATOM 0 HD13 ILE A 43 -0.376 2.254 -7.758 1.00 73.53 H new ATOM 619 N CYS A 44 -6.338 3.621 -7.210 1.00 63.32 N ATOM 620 CA CYS A 44 -7.642 3.031 -7.619 1.00 55.55 C ATOM 621 C CYS A 44 -8.723 4.088 -7.870 1.00 32.54 C ATOM 622 O CYS A 44 -9.733 3.777 -8.515 1.00 13.24 O ATOM 623 CB CYS A 44 -8.156 2.055 -6.545 1.00 51.21 C ATOM 624 SG CYS A 44 -7.055 0.640 -6.257 1.00 32.41 S ATOM 0 H CYS A 44 -6.211 3.675 -6.199 1.00 63.32 H new ATOM 0 HA CYS A 44 -7.453 2.507 -8.556 1.00 55.55 H new ATOM 0 HB2 CYS A 44 -8.289 2.597 -5.609 1.00 51.21 H new ATOM 0 HB3 CYS A 44 -9.138 1.686 -6.842 1.00 51.21 H new ATOM 0 HG CYS A 44 -6.078 1.002 -5.480 1.00 32.41 H new ATOM 629 N ASN A 45 -8.548 5.280 -7.246 1.00 10.13 N ATOM 630 CA ASN A 45 -9.491 6.438 -7.328 1.00 43.40 C ATOM 631 C ASN A 45 -10.759 6.243 -6.454 1.00 72.45 C ATOM 632 O ASN A 45 -11.390 7.217 -6.037 1.00 13.21 O ATOM 633 CB ASN A 45 -9.892 6.770 -8.804 1.00 22.12 C ATOM 634 CG ASN A 45 -10.742 8.047 -8.981 1.00 20.34 C ATOM 635 OD1 ASN A 45 -10.582 9.032 -8.256 1.00 41.21 O ATOM 636 ND2 ASN A 45 -11.649 8.034 -9.950 1.00 23.52 N ATOM 0 H ASN A 45 -7.736 5.473 -6.660 1.00 10.13 H new ATOM 0 HA ASN A 45 -8.943 7.290 -6.925 1.00 43.40 H new ATOM 0 HB2 ASN A 45 -8.983 6.872 -9.397 1.00 22.12 H new ATOM 0 HB3 ASN A 45 -10.445 5.924 -9.213 1.00 22.12 H new ATOM 0 HD21 ASN A 45 -12.236 8.853 -10.110 1.00 23.52 H new ATOM 0 HD22 ASN A 45 -11.759 7.205 -10.534 1.00 23.52 H new ATOM 643 N ARG A 46 -11.117 4.981 -6.165 1.00 11.31 N ATOM 644 CA ARG A 46 -12.357 4.629 -5.450 1.00 74.44 C ATOM 645 C ARG A 46 -12.066 4.324 -3.976 1.00 25.31 C ATOM 646 O ARG A 46 -12.769 4.803 -3.081 1.00 23.51 O ATOM 647 CB ARG A 46 -13.035 3.418 -6.155 1.00 40.15 C ATOM 648 CG ARG A 46 -13.310 3.641 -7.663 1.00 61.15 C ATOM 649 CD ARG A 46 -14.145 4.906 -7.921 1.00 63.25 C ATOM 650 NE ARG A 46 -14.358 5.178 -9.349 1.00 2.22 N ATOM 651 CZ ARG A 46 -14.680 6.380 -9.858 1.00 70.34 C ATOM 652 NH1 ARG A 46 -14.837 7.442 -9.064 1.00 34.42 N ATOM 653 NH2 ARG A 46 -14.861 6.505 -11.158 1.00 31.54 N ATOM 0 H ARG A 46 -10.552 4.171 -6.422 1.00 11.31 H new ATOM 0 HA ARG A 46 -13.041 5.477 -5.477 1.00 74.44 H new ATOM 0 HB2 ARG A 46 -12.400 2.540 -6.038 1.00 40.15 H new ATOM 0 HB3 ARG A 46 -13.977 3.199 -5.653 1.00 40.15 H new ATOM 0 HG2 ARG A 46 -12.362 3.719 -8.196 1.00 61.15 H new ATOM 0 HG3 ARG A 46 -13.833 2.774 -8.067 1.00 61.15 H new ATOM 0 HD2 ARG A 46 -15.112 4.801 -7.430 1.00 63.25 H new ATOM 0 HD3 ARG A 46 -13.647 5.762 -7.465 1.00 63.25 H new ATOM 0 HE ARG A 46 -14.254 4.400 -10.000 1.00 2.22 H new ATOM 0 HH11 ARG A 46 -14.713 7.348 -8.056 1.00 34.42 H new ATOM 0 HH12 ARG A 46 -15.081 8.347 -9.465 1.00 34.42 H new ATOM 0 HH21 ARG A 46 -14.757 5.694 -11.768 1.00 31.54 H new ATOM 0 HH22 ARG A 46 -15.106 7.413 -11.554 1.00 31.54 H new ATOM 667 N GLY A 47 -11.000 3.541 -3.731 1.00 3.41 N ATOM 668 CA GLY A 47 -10.658 3.098 -2.383 1.00 3.33 C ATOM 669 C GLY A 47 -11.236 1.723 -2.112 1.00 13.10 C ATOM 670 O GLY A 47 -10.553 0.723 -2.323 1.00 51.33 O ATOM 0 H GLY A 47 -10.365 3.206 -4.455 1.00 3.41 H new ATOM 0 HA2 GLY A 47 -9.575 3.073 -2.266 1.00 3.33 H new ATOM 0 HA3 GLY A 47 -11.041 3.810 -1.652 1.00 3.33 H new ATOM 674 N ASP A 48 -12.505 1.695 -1.659 1.00 13.44 N ATOM 675 CA ASP A 48 -13.328 0.472 -1.534 1.00 60.32 C ATOM 676 C ASP A 48 -12.696 -0.622 -0.630 1.00 24.32 C ATOM 677 O ASP A 48 -13.050 -0.716 0.550 1.00 20.42 O ATOM 678 CB ASP A 48 -13.696 -0.083 -2.947 1.00 12.24 C ATOM 679 CG ASP A 48 -14.514 -1.391 -2.899 1.00 22.32 C ATOM 680 OD1 ASP A 48 -15.642 -1.375 -2.357 1.00 3.32 O ATOM 681 OD2 ASP A 48 -14.031 -2.435 -3.389 1.00 40.44 O ATOM 0 H ASP A 48 -12.998 2.538 -1.363 1.00 13.44 H new ATOM 0 HA ASP A 48 -14.244 0.765 -1.021 1.00 60.32 H new ATOM 0 HB2 ASP A 48 -14.265 0.673 -3.489 1.00 12.24 H new ATOM 0 HB3 ASP A 48 -12.779 -0.257 -3.511 1.00 12.24 H new ATOM 686 N VAL A 49 -11.756 -1.425 -1.206 1.00 40.54 N ATOM 687 CA VAL A 49 -11.115 -2.583 -0.547 1.00 23.04 C ATOM 688 C VAL A 49 -10.414 -2.141 0.752 1.00 25.35 C ATOM 689 O VAL A 49 -9.280 -1.662 0.727 1.00 60.01 O ATOM 690 CB VAL A 49 -10.087 -3.308 -1.505 1.00 73.10 C ATOM 691 CG1 VAL A 49 -9.461 -4.553 -0.829 1.00 14.31 C ATOM 692 CG2 VAL A 49 -10.751 -3.682 -2.853 1.00 64.14 C ATOM 0 H VAL A 49 -11.422 -1.276 -2.158 1.00 40.54 H new ATOM 0 HA VAL A 49 -11.900 -3.298 -0.303 1.00 23.04 H new ATOM 0 HB VAL A 49 -9.279 -2.606 -1.711 1.00 73.10 H new ATOM 0 HG11 VAL A 49 -8.760 -5.026 -1.516 1.00 14.31 H new ATOM 0 HG12 VAL A 49 -8.934 -4.249 0.075 1.00 14.31 H new ATOM 0 HG13 VAL A 49 -10.248 -5.261 -0.570 1.00 14.31 H new ATOM 0 HG21 VAL A 49 -10.022 -4.179 -3.492 1.00 64.14 H new ATOM 0 HG22 VAL A 49 -11.591 -4.353 -2.671 1.00 64.14 H new ATOM 0 HG23 VAL A 49 -11.109 -2.778 -3.346 1.00 64.14 H new ATOM 702 N GLU A 50 -11.139 -2.284 1.865 1.00 3.13 N ATOM 703 CA GLU A 50 -10.746 -1.763 3.180 1.00 55.32 C ATOM 704 C GLU A 50 -9.732 -2.695 3.870 1.00 51.23 C ATOM 705 O GLU A 50 -8.844 -2.238 4.596 1.00 62.44 O ATOM 706 CB GLU A 50 -12.020 -1.569 4.041 1.00 60.03 C ATOM 707 CG GLU A 50 -11.811 -0.821 5.374 1.00 61.25 C ATOM 708 CD GLU A 50 -13.128 -0.601 6.140 1.00 22.43 C ATOM 709 OE1 GLU A 50 -13.872 0.345 5.804 1.00 32.34 O ATOM 710 OE2 GLU A 50 -13.437 -1.391 7.057 1.00 51.23 O ATOM 0 H GLU A 50 -12.033 -2.775 1.879 1.00 3.13 H new ATOM 0 HA GLU A 50 -10.249 -0.801 3.056 1.00 55.32 H new ATOM 0 HB2 GLU A 50 -12.757 -1.025 3.451 1.00 60.03 H new ATOM 0 HB3 GLU A 50 -12.445 -2.549 4.257 1.00 60.03 H new ATOM 0 HG2 GLU A 50 -11.121 -1.387 6.000 1.00 61.25 H new ATOM 0 HG3 GLU A 50 -11.344 0.144 5.176 1.00 61.25 H new ATOM 717 N GLU A 51 -9.865 -4.003 3.622 1.00 74.35 N ATOM 718 CA GLU A 51 -9.014 -5.035 4.241 1.00 12.02 C ATOM 719 C GLU A 51 -7.576 -5.062 3.674 1.00 65.45 C ATOM 720 O GLU A 51 -6.658 -5.528 4.355 1.00 5.51 O ATOM 721 CB GLU A 51 -9.700 -6.412 4.095 1.00 62.21 C ATOM 722 CG GLU A 51 -11.080 -6.503 4.786 1.00 13.33 C ATOM 723 CD GLU A 51 -11.000 -6.336 6.312 1.00 44.03 C ATOM 724 OE1 GLU A 51 -10.799 -7.347 7.018 1.00 73.02 O ATOM 725 OE2 GLU A 51 -11.111 -5.193 6.815 1.00 24.11 O ATOM 0 H GLU A 51 -10.567 -4.380 2.985 1.00 74.35 H new ATOM 0 HA GLU A 51 -8.905 -4.785 5.296 1.00 12.02 H new ATOM 0 HB2 GLU A 51 -9.820 -6.636 3.035 1.00 62.21 H new ATOM 0 HB3 GLU A 51 -9.046 -7.178 4.511 1.00 62.21 H new ATOM 0 HG2 GLU A 51 -11.737 -5.736 4.376 1.00 13.33 H new ATOM 0 HG3 GLU A 51 -11.533 -7.467 4.555 1.00 13.33 H new ATOM 732 N SER A 52 -7.373 -4.578 2.434 1.00 42.11 N ATOM 733 CA SER A 52 -6.018 -4.461 1.831 1.00 34.31 C ATOM 734 C SER A 52 -5.605 -2.978 1.734 1.00 25.13 C ATOM 735 O SER A 52 -4.586 -2.646 1.110 1.00 2.02 O ATOM 736 CB SER A 52 -5.992 -5.129 0.439 1.00 24.41 C ATOM 737 OG SER A 52 -6.417 -6.479 0.513 1.00 13.11 O ATOM 0 H SER A 52 -8.126 -4.260 1.824 1.00 42.11 H new ATOM 0 HA SER A 52 -5.301 -4.976 2.471 1.00 34.31 H new ATOM 0 HB2 SER A 52 -6.638 -4.578 -0.244 1.00 24.41 H new ATOM 0 HB3 SER A 52 -4.983 -5.084 0.029 1.00 24.41 H new ATOM 0 HG SER A 52 -6.393 -6.879 -0.381 1.00 13.11 H new ATOM 743 N MET A 53 -6.415 -2.102 2.363 1.00 15.51 N ATOM 744 CA MET A 53 -6.186 -0.652 2.376 1.00 73.31 C ATOM 745 C MET A 53 -5.088 -0.322 3.395 1.00 33.41 C ATOM 746 O MET A 53 -5.322 -0.339 4.610 1.00 75.40 O ATOM 747 CB MET A 53 -7.508 0.074 2.721 1.00 73.33 C ATOM 748 CG MET A 53 -7.474 1.603 2.686 1.00 62.32 C ATOM 749 SD MET A 53 -9.098 2.315 3.044 1.00 32.10 S ATOM 750 CE MET A 53 -10.091 1.726 1.660 1.00 73.41 C ATOM 0 H MET A 53 -7.249 -2.387 2.877 1.00 15.51 H new ATOM 0 HA MET A 53 -5.857 -0.313 1.394 1.00 73.31 H new ATOM 0 HB2 MET A 53 -8.276 -0.267 2.026 1.00 73.33 H new ATOM 0 HB3 MET A 53 -7.819 -0.238 3.718 1.00 73.33 H new ATOM 0 HG2 MET A 53 -6.748 1.968 3.413 1.00 62.32 H new ATOM 0 HG3 MET A 53 -7.138 1.937 1.704 1.00 62.32 H new ATOM 0 HE1 MET A 53 -10.529 2.577 1.138 1.00 73.41 H new ATOM 0 HE2 MET A 53 -9.459 1.164 0.972 1.00 73.41 H new ATOM 0 HE3 MET A 53 -10.887 1.080 2.032 1.00 73.41 H new ATOM 760 N LEU A 54 -3.886 -0.077 2.875 1.00 0.13 N ATOM 761 CA LEU A 54 -2.722 0.331 3.657 1.00 52.33 C ATOM 762 C LEU A 54 -2.754 1.845 3.841 1.00 50.53 C ATOM 763 O LEU A 54 -3.072 2.573 2.903 1.00 61.01 O ATOM 764 CB LEU A 54 -1.426 -0.080 2.916 1.00 24.52 C ATOM 765 CG LEU A 54 -1.241 -1.600 2.644 1.00 64.35 C ATOM 766 CD1 LEU A 54 0.059 -1.854 1.852 1.00 40.45 C ATOM 767 CD2 LEU A 54 -1.271 -2.402 3.961 1.00 64.42 C ATOM 0 H LEU A 54 -3.691 -0.159 1.877 1.00 0.13 H new ATOM 0 HA LEU A 54 -2.743 -0.157 4.631 1.00 52.33 H new ATOM 0 HB2 LEU A 54 -1.397 0.445 1.961 1.00 24.52 H new ATOM 0 HB3 LEU A 54 -0.573 0.270 3.498 1.00 24.52 H new ATOM 0 HG LEU A 54 -2.075 -1.947 2.033 1.00 64.35 H new ATOM 0 HD11 LEU A 54 0.172 -2.923 1.671 1.00 40.45 H new ATOM 0 HD12 LEU A 54 0.013 -1.327 0.899 1.00 40.45 H new ATOM 0 HD13 LEU A 54 0.912 -1.491 2.426 1.00 40.45 H new ATOM 0 HD21 LEU A 54 -1.140 -3.462 3.744 1.00 64.42 H new ATOM 0 HD22 LEU A 54 -0.466 -2.062 4.612 1.00 64.42 H new ATOM 0 HD23 LEU A 54 -2.229 -2.249 4.458 1.00 64.42 H new ATOM 779 N LEU A 55 -2.440 2.307 5.046 1.00 51.42 N ATOM 780 CA LEU A 55 -2.288 3.734 5.334 1.00 25.51 C ATOM 781 C LEU A 55 -0.840 3.942 5.780 1.00 15.44 C ATOM 782 O LEU A 55 -0.427 3.408 6.823 1.00 32.22 O ATOM 783 CB LEU A 55 -3.333 4.181 6.409 1.00 53.12 C ATOM 784 CG LEU A 55 -3.545 5.728 6.637 1.00 52.42 C ATOM 785 CD1 LEU A 55 -2.395 6.399 7.420 1.00 3.51 C ATOM 786 CD2 LEU A 55 -3.806 6.467 5.303 1.00 62.02 C ATOM 0 H LEU A 55 -2.283 1.704 5.854 1.00 51.42 H new ATOM 0 HA LEU A 55 -2.484 4.353 4.459 1.00 25.51 H new ATOM 0 HB2 LEU A 55 -4.296 3.748 6.139 1.00 53.12 H new ATOM 0 HB3 LEU A 55 -3.041 3.740 7.362 1.00 53.12 H new ATOM 0 HG LEU A 55 -4.434 5.813 7.262 1.00 52.42 H new ATOM 0 HD11 LEU A 55 -2.608 7.461 7.540 1.00 3.51 H new ATOM 0 HD12 LEU A 55 -2.304 5.934 8.402 1.00 3.51 H new ATOM 0 HD13 LEU A 55 -1.461 6.275 6.872 1.00 3.51 H new ATOM 0 HD21 LEU A 55 -3.948 7.530 5.498 1.00 62.02 H new ATOM 0 HD22 LEU A 55 -2.953 6.330 4.638 1.00 62.02 H new ATOM 0 HD23 LEU A 55 -4.702 6.062 4.832 1.00 62.02 H new ATOM 798 N CYS A 56 -0.066 4.663 4.947 1.00 52.52 N ATOM 799 CA CYS A 56 1.307 5.050 5.263 1.00 22.11 C ATOM 800 C CYS A 56 1.329 5.912 6.528 1.00 11.30 C ATOM 801 O CYS A 56 0.788 7.012 6.537 1.00 51.45 O ATOM 802 CB CYS A 56 1.963 5.811 4.091 1.00 71.32 C ATOM 803 SG CYS A 56 3.700 6.263 4.401 1.00 14.24 S ATOM 0 H CYS A 56 -0.384 4.991 4.035 1.00 52.52 H new ATOM 0 HA CYS A 56 1.882 4.140 5.435 1.00 22.11 H new ATOM 0 HB2 CYS A 56 1.911 5.195 3.193 1.00 71.32 H new ATOM 0 HB3 CYS A 56 1.390 6.716 3.890 1.00 71.32 H new ATOM 0 HG CYS A 56 4.270 6.590 3.279 1.00 14.24 H new ATOM 808 N ASP A 57 1.918 5.388 7.602 1.00 50.22 N ATOM 809 CA ASP A 57 2.027 6.109 8.887 1.00 35.31 C ATOM 810 C ASP A 57 3.205 7.106 8.852 1.00 45.33 C ATOM 811 O ASP A 57 3.382 7.925 9.764 1.00 75.13 O ATOM 812 CB ASP A 57 2.158 5.069 10.035 1.00 72.44 C ATOM 813 CG ASP A 57 2.104 5.678 11.447 1.00 1.12 C ATOM 814 OD1 ASP A 57 1.119 6.387 11.752 1.00 12.42 O ATOM 815 OD2 ASP A 57 3.020 5.429 12.263 1.00 25.41 O ATOM 0 H ASP A 57 2.334 4.457 7.615 1.00 50.22 H new ATOM 0 HA ASP A 57 1.130 6.702 9.066 1.00 35.31 H new ATOM 0 HB2 ASP A 57 1.359 4.334 9.938 1.00 72.44 H new ATOM 0 HB3 ASP A 57 3.100 4.533 9.919 1.00 72.44 H new ATOM 820 N GLY A 58 3.981 7.053 7.753 1.00 61.23 N ATOM 821 CA GLY A 58 5.079 7.989 7.519 1.00 63.44 C ATOM 822 C GLY A 58 4.855 8.913 6.336 1.00 60.45 C ATOM 823 O GLY A 58 5.815 9.297 5.665 1.00 14.31 O ATOM 0 H GLY A 58 3.860 6.363 7.012 1.00 61.23 H new ATOM 0 HA2 GLY A 58 5.228 8.591 8.415 1.00 63.44 H new ATOM 0 HA3 GLY A 58 5.997 7.424 7.358 1.00 63.44 H new ATOM 827 N CYS A 59 3.589 9.235 6.065 1.00 75.44 N ATOM 828 CA CYS A 59 3.191 10.181 4.985 1.00 60.45 C ATOM 829 C CYS A 59 1.730 10.602 5.151 1.00 12.24 C ATOM 830 O CYS A 59 1.369 11.738 4.833 1.00 24.02 O ATOM 831 CB CYS A 59 3.370 9.553 3.574 1.00 72.24 C ATOM 832 SG CYS A 59 5.098 9.317 3.027 1.00 25.44 S ATOM 0 H CYS A 59 2.797 8.853 6.582 1.00 75.44 H new ATOM 0 HA CYS A 59 3.843 11.050 5.069 1.00 60.45 H new ATOM 0 HB2 CYS A 59 2.868 8.585 3.561 1.00 72.24 H new ATOM 0 HB3 CYS A 59 2.861 10.186 2.847 1.00 72.24 H new ATOM 0 HG CYS A 59 5.204 8.182 2.403 1.00 25.44 H new ATOM 837 N ASP A 60 0.914 9.649 5.647 1.00 12.31 N ATOM 838 CA ASP A 60 -0.556 9.724 5.659 1.00 1.33 C ATOM 839 C ASP A 60 -1.088 9.768 4.221 1.00 11.03 C ATOM 840 O ASP A 60 -1.521 10.813 3.719 1.00 1.33 O ATOM 841 CB ASP A 60 -1.102 10.874 6.554 1.00 43.23 C ATOM 842 CG ASP A 60 -0.925 10.573 8.053 1.00 62.24 C ATOM 843 OD1 ASP A 60 0.220 10.646 8.560 1.00 20.15 O ATOM 844 OD2 ASP A 60 -1.925 10.217 8.727 1.00 63.34 O ATOM 0 H ASP A 60 1.271 8.787 6.059 1.00 12.31 H new ATOM 0 HA ASP A 60 -0.937 8.817 6.128 1.00 1.33 H new ATOM 0 HB2 ASP A 60 -0.585 11.802 6.307 1.00 43.23 H new ATOM 0 HB3 ASP A 60 -2.159 11.031 6.338 1.00 43.23 H new ATOM 849 N ASP A 61 -0.961 8.617 3.548 1.00 10.42 N ATOM 850 CA ASP A 61 -1.540 8.381 2.215 1.00 34.35 C ATOM 851 C ASP A 61 -1.975 6.909 2.153 1.00 22.31 C ATOM 852 O ASP A 61 -1.267 6.023 2.645 1.00 43.44 O ATOM 853 CB ASP A 61 -0.529 8.706 1.066 1.00 31.11 C ATOM 854 CG ASP A 61 -1.194 8.976 -0.313 1.00 2.34 C ATOM 855 OD1 ASP A 61 -2.175 8.296 -0.671 1.00 10.22 O ATOM 856 OD2 ASP A 61 -0.729 9.878 -1.047 1.00 14.23 O ATOM 0 H ASP A 61 -0.449 7.815 3.915 1.00 10.42 H new ATOM 0 HA ASP A 61 -2.391 9.045 2.068 1.00 34.35 H new ATOM 0 HB2 ASP A 61 0.058 9.579 1.350 1.00 31.11 H new ATOM 0 HB3 ASP A 61 0.167 7.873 0.964 1.00 31.11 H new ATOM 861 N SER A 62 -3.125 6.659 1.543 1.00 35.44 N ATOM 862 CA SER A 62 -3.759 5.338 1.505 1.00 71.34 C ATOM 863 C SER A 62 -3.587 4.687 0.126 1.00 42.44 C ATOM 864 O SER A 62 -3.923 5.286 -0.897 1.00 51.03 O ATOM 865 CB SER A 62 -5.242 5.504 1.879 1.00 51.23 C ATOM 866 OG SER A 62 -5.805 6.628 1.218 1.00 34.20 O ATOM 0 H SER A 62 -3.657 7.377 1.051 1.00 35.44 H new ATOM 0 HA SER A 62 -3.281 4.671 2.223 1.00 71.34 H new ATOM 0 HB2 SER A 62 -5.793 4.603 1.608 1.00 51.23 H new ATOM 0 HB3 SER A 62 -5.339 5.625 2.958 1.00 51.23 H new ATOM 0 HG SER A 62 -5.943 6.416 0.271 1.00 34.20 H new ATOM 872 N TYR A 63 -3.026 3.469 0.116 1.00 63.44 N ATOM 873 CA TYR A 63 -2.835 2.648 -1.091 1.00 54.21 C ATOM 874 C TYR A 63 -3.393 1.246 -0.839 1.00 73.10 C ATOM 875 O TYR A 63 -3.977 0.971 0.213 1.00 72.35 O ATOM 876 CB TYR A 63 -1.323 2.550 -1.453 1.00 13.42 C ATOM 877 CG TYR A 63 -0.680 3.869 -1.900 1.00 35.43 C ATOM 878 CD1 TYR A 63 -0.335 4.857 -0.976 1.00 52.15 C ATOM 879 CD2 TYR A 63 -0.420 4.125 -3.247 1.00 11.24 C ATOM 880 CE1 TYR A 63 0.236 6.039 -1.371 1.00 42.12 C ATOM 881 CE2 TYR A 63 0.156 5.311 -3.645 1.00 53.24 C ATOM 882 CZ TYR A 63 0.480 6.264 -2.704 1.00 31.44 C ATOM 883 OH TYR A 63 1.041 7.454 -3.099 1.00 24.14 O ATOM 0 H TYR A 63 -2.685 3.017 0.964 1.00 63.44 H new ATOM 0 HA TYR A 63 -3.362 3.115 -1.923 1.00 54.21 H new ATOM 0 HB2 TYR A 63 -0.780 2.173 -0.586 1.00 13.42 H new ATOM 0 HB3 TYR A 63 -1.202 1.815 -2.249 1.00 13.42 H new ATOM 0 HD1 TYR A 63 -0.522 4.686 0.074 1.00 52.15 H new ATOM 0 HD2 TYR A 63 -0.674 3.382 -3.988 1.00 11.24 H new ATOM 0 HE1 TYR A 63 0.493 6.789 -0.638 1.00 42.12 H new ATOM 0 HE2 TYR A 63 0.353 5.493 -4.691 1.00 53.24 H new ATOM 0 HH TYR A 63 0.386 7.969 -3.615 1.00 24.14 H new ATOM 893 N HIS A 64 -3.256 0.381 -1.846 1.00 40.25 N ATOM 894 CA HIS A 64 -3.441 -1.075 -1.676 1.00 24.21 C ATOM 895 C HIS A 64 -2.123 -1.799 -1.939 1.00 40.30 C ATOM 896 O HIS A 64 -1.223 -1.259 -2.592 1.00 31.14 O ATOM 897 CB HIS A 64 -4.521 -1.650 -2.619 1.00 12.43 C ATOM 898 CG HIS A 64 -5.909 -1.106 -2.403 1.00 40.23 C ATOM 899 ND1 HIS A 64 -6.699 -0.705 -3.454 1.00 12.31 N ATOM 900 CD2 HIS A 64 -6.620 -1.005 -1.259 1.00 31.02 C ATOM 901 CE1 HIS A 64 -7.864 -0.394 -2.922 1.00 1.40 C ATOM 902 NE2 HIS A 64 -7.856 -0.552 -1.596 1.00 70.40 N ATOM 0 H HIS A 64 -3.016 0.659 -2.797 1.00 40.25 H new ATOM 0 HA HIS A 64 -3.772 -1.234 -0.650 1.00 24.21 H new ATOM 0 HB2 HIS A 64 -4.225 -1.452 -3.649 1.00 12.43 H new ATOM 0 HB3 HIS A 64 -4.548 -2.733 -2.498 1.00 12.43 H new ATOM 0 HD2 HIS A 64 -6.272 -1.240 -0.264 1.00 31.02 H new ATOM 0 HE1 HIS A 64 -8.719 -0.054 -3.488 1.00 1.40 H new ATOM 0 HE2 HIS A 64 -8.630 -0.368 -0.958 1.00 70.40 H new ATOM 910 N THR A 65 -2.066 -3.028 -1.448 1.00 15.24 N ATOM 911 CA THR A 65 -0.973 -3.970 -1.698 1.00 30.02 C ATOM 912 C THR A 65 -0.884 -4.324 -3.201 1.00 61.41 C ATOM 913 O THR A 65 0.196 -4.276 -3.798 1.00 64.00 O ATOM 914 CB THR A 65 -1.221 -5.259 -0.860 1.00 44.31 C ATOM 915 OG1 THR A 65 -2.586 -5.681 -1.051 1.00 12.10 O ATOM 916 CG2 THR A 65 -0.949 -5.031 0.638 1.00 53.20 C ATOM 0 H THR A 65 -2.796 -3.413 -0.848 1.00 15.24 H new ATOM 0 HA THR A 65 -0.029 -3.510 -1.405 1.00 30.02 H new ATOM 0 HB THR A 65 -0.531 -6.030 -1.202 1.00 44.31 H new ATOM 0 HG1 THR A 65 -2.753 -6.493 -0.529 1.00 12.10 H new ATOM 0 HG21 THR A 65 -1.134 -5.955 1.186 1.00 53.20 H new ATOM 0 HG22 THR A 65 0.089 -4.728 0.777 1.00 53.20 H new ATOM 0 HG23 THR A 65 -1.609 -4.248 1.013 1.00 53.20 H new ATOM 924 N PHE A 66 -2.052 -4.636 -3.789 1.00 13.24 N ATOM 925 CA PHE A 66 -2.175 -5.099 -5.184 1.00 33.14 C ATOM 926 C PHE A 66 -2.102 -3.949 -6.209 1.00 11.05 C ATOM 927 O PHE A 66 -1.893 -4.207 -7.397 1.00 73.11 O ATOM 928 CB PHE A 66 -3.476 -5.928 -5.368 1.00 64.43 C ATOM 929 CG PHE A 66 -4.780 -5.228 -4.968 1.00 11.05 C ATOM 930 CD1 PHE A 66 -5.496 -4.449 -5.885 1.00 32.32 C ATOM 931 CD2 PHE A 66 -5.299 -5.359 -3.676 1.00 12.02 C ATOM 932 CE1 PHE A 66 -6.686 -3.842 -5.528 1.00 40.43 C ATOM 933 CE2 PHE A 66 -6.491 -4.756 -3.325 1.00 14.34 C ATOM 934 CZ PHE A 66 -7.179 -3.992 -4.248 1.00 22.14 C ATOM 0 H PHE A 66 -2.947 -4.573 -3.304 1.00 13.24 H new ATOM 0 HA PHE A 66 -1.315 -5.739 -5.382 1.00 33.14 H new ATOM 0 HB2 PHE A 66 -3.551 -6.222 -6.415 1.00 64.43 H new ATOM 0 HB3 PHE A 66 -3.385 -6.844 -4.785 1.00 64.43 H new ATOM 0 HD1 PHE A 66 -5.113 -4.320 -6.887 1.00 32.32 H new ATOM 0 HD2 PHE A 66 -4.760 -5.940 -2.942 1.00 12.02 H new ATOM 0 HE1 PHE A 66 -7.229 -3.251 -6.250 1.00 40.43 H new ATOM 0 HE2 PHE A 66 -6.886 -4.882 -2.328 1.00 14.34 H new ATOM 0 HZ PHE A 66 -8.104 -3.511 -3.967 1.00 22.14 H new ATOM 944 N CYS A 67 -2.298 -2.688 -5.753 1.00 52.13 N ATOM 945 CA CYS A 67 -2.183 -1.489 -6.620 1.00 33.11 C ATOM 946 C CYS A 67 -0.721 -1.220 -6.997 1.00 12.21 C ATOM 947 O CYS A 67 -0.431 -0.797 -8.118 1.00 12.31 O ATOM 948 CB CYS A 67 -2.784 -0.268 -5.911 1.00 30.14 C ATOM 949 SG CYS A 67 -4.567 -0.438 -5.652 1.00 32.22 S ATOM 0 H CYS A 67 -2.538 -2.474 -4.785 1.00 52.13 H new ATOM 0 HA CYS A 67 -2.739 -1.676 -7.539 1.00 33.11 H new ATOM 0 HB2 CYS A 67 -2.290 -0.129 -4.949 1.00 30.14 H new ATOM 0 HB3 CYS A 67 -2.588 0.626 -6.502 1.00 30.14 H new ATOM 0 HG CYS A 67 -5.204 0.249 -6.553 1.00 32.22 H new ATOM 954 N LEU A 68 0.170 -1.441 -6.027 1.00 4.43 N ATOM 955 CA LEU A 68 1.619 -1.370 -6.238 1.00 25.23 C ATOM 956 C LEU A 68 2.096 -2.581 -7.062 1.00 22.33 C ATOM 957 O LEU A 68 1.530 -3.673 -6.945 1.00 11.31 O ATOM 958 CB LEU A 68 2.342 -1.341 -4.867 1.00 53.15 C ATOM 959 CG LEU A 68 1.999 -0.147 -3.919 1.00 61.33 C ATOM 960 CD1 LEU A 68 2.724 -0.295 -2.569 1.00 4.34 C ATOM 961 CD2 LEU A 68 2.308 1.216 -4.587 1.00 13.34 C ATOM 0 H LEU A 68 -0.094 -1.675 -5.070 1.00 4.43 H new ATOM 0 HA LEU A 68 1.856 -0.460 -6.789 1.00 25.23 H new ATOM 0 HB2 LEU A 68 2.114 -2.269 -4.342 1.00 53.15 H new ATOM 0 HB3 LEU A 68 3.417 -1.333 -5.049 1.00 53.15 H new ATOM 0 HG LEU A 68 0.927 -0.171 -3.725 1.00 61.33 H new ATOM 0 HD11 LEU A 68 2.470 0.547 -1.925 1.00 4.34 H new ATOM 0 HD12 LEU A 68 2.415 -1.224 -2.090 1.00 4.34 H new ATOM 0 HD13 LEU A 68 3.801 -0.313 -2.735 1.00 4.34 H new ATOM 0 HD21 LEU A 68 2.057 2.023 -3.899 1.00 13.34 H new ATOM 0 HD22 LEU A 68 3.368 1.267 -4.836 1.00 13.34 H new ATOM 0 HD23 LEU A 68 1.716 1.318 -5.497 1.00 13.34 H new ATOM 973 N LEU A 69 3.122 -2.389 -7.912 1.00 64.32 N ATOM 974 CA LEU A 69 3.736 -3.498 -8.677 1.00 61.35 C ATOM 975 C LEU A 69 5.275 -3.509 -8.481 1.00 45.25 C ATOM 976 O LEU A 69 5.908 -2.457 -8.598 1.00 3.33 O ATOM 977 CB LEU A 69 3.277 -3.486 -10.174 1.00 70.03 C ATOM 978 CG LEU A 69 3.253 -2.112 -10.948 1.00 34.14 C ATOM 979 CD1 LEU A 69 4.660 -1.638 -11.374 1.00 53.23 C ATOM 980 CD2 LEU A 69 2.312 -2.200 -12.164 1.00 43.42 C ATOM 0 H LEU A 69 3.545 -1.478 -8.088 1.00 64.32 H new ATOM 0 HA LEU A 69 3.376 -4.447 -8.281 1.00 61.35 H new ATOM 0 HB2 LEU A 69 3.929 -4.164 -10.725 1.00 70.03 H new ATOM 0 HB3 LEU A 69 2.272 -3.906 -10.215 1.00 70.03 H new ATOM 0 HG LEU A 69 2.873 -1.362 -10.254 1.00 34.14 H new ATOM 0 HD11 LEU A 69 4.579 -0.688 -11.902 1.00 53.23 H new ATOM 0 HD12 LEU A 69 5.284 -1.510 -10.490 1.00 53.23 H new ATOM 0 HD13 LEU A 69 5.111 -2.381 -12.031 1.00 53.23 H new ATOM 0 HD21 LEU A 69 2.305 -1.245 -12.689 1.00 43.42 H new ATOM 0 HD22 LEU A 69 2.661 -2.982 -12.838 1.00 43.42 H new ATOM 0 HD23 LEU A 69 1.303 -2.436 -11.827 1.00 43.42 H new ATOM 992 N PRO A 70 5.915 -4.677 -8.112 1.00 60.25 N ATOM 993 CA PRO A 70 5.234 -5.980 -7.832 1.00 11.31 C ATOM 994 C PRO A 70 4.418 -5.944 -6.498 1.00 64.23 C ATOM 995 O PRO A 70 4.903 -5.399 -5.499 1.00 63.31 O ATOM 996 CB PRO A 70 6.410 -6.988 -7.769 1.00 14.21 C ATOM 997 CG PRO A 70 7.585 -6.170 -7.320 1.00 3.15 C ATOM 998 CD PRO A 70 7.389 -4.793 -7.933 1.00 62.31 C ATOM 0 HA PRO A 70 4.493 -6.240 -8.588 1.00 11.31 H new ATOM 0 HB2 PRO A 70 6.201 -7.798 -7.071 1.00 14.21 H new ATOM 0 HB3 PRO A 70 6.593 -7.445 -8.742 1.00 14.21 H new ATOM 0 HG2 PRO A 70 7.628 -6.111 -6.232 1.00 3.15 H new ATOM 0 HG3 PRO A 70 8.522 -6.616 -7.652 1.00 3.15 H new ATOM 0 HD2 PRO A 70 7.774 -4.009 -7.281 1.00 62.31 H new ATOM 0 HD3 PRO A 70 7.914 -4.702 -8.884 1.00 62.31 H new ATOM 1006 N PRO A 71 3.167 -6.516 -6.482 1.00 72.02 N ATOM 1007 CA PRO A 71 2.211 -6.357 -5.348 1.00 31.41 C ATOM 1008 C PRO A 71 2.713 -6.972 -4.031 1.00 63.41 C ATOM 1009 O PRO A 71 3.397 -7.998 -4.034 1.00 14.24 O ATOM 1010 CB PRO A 71 0.930 -7.080 -5.856 1.00 43.03 C ATOM 1011 CG PRO A 71 1.418 -8.046 -6.896 1.00 52.20 C ATOM 1012 CD PRO A 71 2.588 -7.364 -7.566 1.00 71.03 C ATOM 0 HA PRO A 71 2.055 -5.307 -5.099 1.00 31.41 H new ATOM 0 HB2 PRO A 71 0.420 -7.598 -5.044 1.00 43.03 H new ATOM 0 HB3 PRO A 71 0.218 -6.371 -6.278 1.00 43.03 H new ATOM 0 HG2 PRO A 71 1.721 -8.990 -6.443 1.00 52.20 H new ATOM 0 HG3 PRO A 71 0.633 -8.276 -7.617 1.00 52.20 H new ATOM 0 HD2 PRO A 71 3.313 -8.087 -7.940 1.00 71.03 H new ATOM 0 HD3 PRO A 71 2.268 -6.763 -8.417 1.00 71.03 H new ATOM 1020 N LEU A 72 2.345 -6.339 -2.904 1.00 41.34 N ATOM 1021 CA LEU A 72 2.735 -6.793 -1.563 1.00 34.42 C ATOM 1022 C LEU A 72 1.794 -7.927 -1.109 1.00 40.53 C ATOM 1023 O LEU A 72 0.742 -7.684 -0.516 1.00 10.12 O ATOM 1024 CB LEU A 72 2.726 -5.600 -0.561 1.00 13.34 C ATOM 1025 CG LEU A 72 3.661 -4.399 -0.918 1.00 61.50 C ATOM 1026 CD1 LEU A 72 3.520 -3.248 0.106 1.00 22.22 C ATOM 1027 CD2 LEU A 72 5.133 -4.854 -1.054 1.00 42.23 C ATOM 0 H LEU A 72 1.768 -5.498 -2.900 1.00 41.34 H new ATOM 0 HA LEU A 72 3.752 -7.185 -1.591 1.00 34.42 H new ATOM 0 HB2 LEU A 72 1.705 -5.228 -0.479 1.00 13.34 H new ATOM 0 HB3 LEU A 72 3.009 -5.975 0.423 1.00 13.34 H new ATOM 0 HG LEU A 72 3.344 -4.014 -1.887 1.00 61.50 H new ATOM 0 HD11 LEU A 72 4.184 -2.430 -0.173 1.00 22.22 H new ATOM 0 HD12 LEU A 72 2.490 -2.893 0.114 1.00 22.22 H new ATOM 0 HD13 LEU A 72 3.787 -3.610 1.099 1.00 22.22 H new ATOM 0 HD21 LEU A 72 5.758 -3.996 -1.303 1.00 42.23 H new ATOM 0 HD22 LEU A 72 5.469 -5.286 -0.111 1.00 42.23 H new ATOM 0 HD23 LEU A 72 5.211 -5.601 -1.844 1.00 42.23 H new ATOM 1039 N THR A 73 2.170 -9.169 -1.441 1.00 22.23 N ATOM 1040 CA THR A 73 1.397 -10.372 -1.079 1.00 74.45 C ATOM 1041 C THR A 73 1.374 -10.595 0.455 1.00 52.44 C ATOM 1042 O THR A 73 0.492 -11.283 0.980 1.00 31.11 O ATOM 1043 CB THR A 73 1.958 -11.622 -1.829 1.00 1.21 C ATOM 1044 OG1 THR A 73 3.382 -11.695 -1.652 1.00 5.45 O ATOM 1045 CG2 THR A 73 1.630 -11.568 -3.334 1.00 41.23 C ATOM 0 H THR A 73 3.019 -9.372 -1.969 1.00 22.23 H new ATOM 0 HA THR A 73 0.364 -10.219 -1.393 1.00 74.45 H new ATOM 0 HB THR A 73 1.484 -12.509 -1.407 1.00 1.21 H new ATOM 0 HG1 THR A 73 3.730 -12.481 -2.122 1.00 5.45 H new ATOM 0 HG21 THR A 73 2.034 -12.452 -3.826 1.00 41.23 H new ATOM 0 HG22 THR A 73 0.549 -11.539 -3.470 1.00 41.23 H new ATOM 0 HG23 THR A 73 2.074 -10.674 -3.771 1.00 41.23 H new ATOM 1053 N SER A 74 2.353 -9.994 1.150 1.00 31.20 N ATOM 1054 CA SER A 74 2.330 -9.827 2.610 1.00 62.35 C ATOM 1055 C SER A 74 1.776 -8.426 2.912 1.00 4.14 C ATOM 1056 O SER A 74 2.390 -7.418 2.552 1.00 1.20 O ATOM 1057 CB SER A 74 3.743 -9.977 3.196 1.00 71.34 C ATOM 1058 OG SER A 74 4.330 -11.208 2.813 1.00 62.32 O ATOM 0 H SER A 74 3.188 -9.608 0.710 1.00 31.20 H new ATOM 0 HA SER A 74 1.702 -10.593 3.064 1.00 62.35 H new ATOM 0 HB2 SER A 74 4.369 -9.152 2.857 1.00 71.34 H new ATOM 0 HB3 SER A 74 3.697 -9.916 4.283 1.00 71.34 H new ATOM 0 HG SER A 74 5.229 -11.276 3.198 1.00 62.32 H new ATOM 1064 N ILE A 75 0.591 -8.378 3.512 1.00 53.41 N ATOM 1065 CA ILE A 75 -0.103 -7.123 3.856 1.00 75.13 C ATOM 1066 C ILE A 75 0.368 -6.629 5.244 1.00 1.30 C ATOM 1067 O ILE A 75 0.119 -7.320 6.238 1.00 22.31 O ATOM 1068 CB ILE A 75 -1.668 -7.334 3.861 1.00 22.20 C ATOM 1069 CG1 ILE A 75 -2.120 -8.021 2.532 1.00 41.33 C ATOM 1070 CG2 ILE A 75 -2.427 -5.993 4.090 1.00 61.23 C ATOM 1071 CD1 ILE A 75 -3.608 -8.296 2.423 1.00 1.21 C ATOM 0 H ILE A 75 0.072 -9.214 3.780 1.00 53.41 H new ATOM 0 HA ILE A 75 0.140 -6.373 3.104 1.00 75.13 H new ATOM 0 HB ILE A 75 -1.921 -7.989 4.695 1.00 22.20 H new ATOM 0 HG12 ILE A 75 -1.821 -7.390 1.695 1.00 41.33 H new ATOM 0 HG13 ILE A 75 -1.583 -8.964 2.428 1.00 41.33 H new ATOM 0 HG21 ILE A 75 -3.501 -6.178 4.087 1.00 61.23 H new ATOM 0 HG22 ILE A 75 -2.134 -5.569 5.050 1.00 61.23 H new ATOM 0 HG23 ILE A 75 -2.177 -5.293 3.293 1.00 61.23 H new ATOM 0 HD11 ILE A 75 -3.821 -8.773 1.466 1.00 1.21 H new ATOM 0 HD12 ILE A 75 -3.917 -8.955 3.234 1.00 1.21 H new ATOM 0 HD13 ILE A 75 -4.157 -7.357 2.490 1.00 1.21 H new ATOM 1083 N PRO A 76 1.111 -5.467 5.343 1.00 15.21 N ATOM 1084 CA PRO A 76 1.453 -4.840 6.651 1.00 51.51 C ATOM 1085 C PRO A 76 0.194 -4.512 7.473 1.00 31.22 C ATOM 1086 O PRO A 76 -0.813 -4.045 6.916 1.00 34.15 O ATOM 1087 CB PRO A 76 2.228 -3.550 6.260 1.00 1.02 C ATOM 1088 CG PRO A 76 2.747 -3.829 4.882 1.00 2.22 C ATOM 1089 CD PRO A 76 1.705 -4.700 4.211 1.00 20.42 C ATOM 0 HA PRO A 76 2.039 -5.504 7.286 1.00 51.51 H new ATOM 0 HB2 PRO A 76 1.576 -2.677 6.270 1.00 1.02 H new ATOM 0 HB3 PRO A 76 3.041 -3.348 6.957 1.00 1.02 H new ATOM 0 HG2 PRO A 76 2.897 -2.903 4.327 1.00 2.22 H new ATOM 0 HG3 PRO A 76 3.711 -4.336 4.924 1.00 2.22 H new ATOM 0 HD2 PRO A 76 0.955 -4.102 3.694 1.00 20.42 H new ATOM 0 HD3 PRO A 76 2.152 -5.361 3.469 1.00 20.42 H new ATOM 1097 N LYS A 77 0.252 -4.769 8.787 1.00 11.32 N ATOM 1098 CA LYS A 77 -0.880 -4.556 9.689 1.00 44.43 C ATOM 1099 C LYS A 77 -1.022 -3.051 10.001 1.00 74.35 C ATOM 1100 O LYS A 77 -0.418 -2.548 10.956 1.00 72.30 O ATOM 1101 CB LYS A 77 -0.712 -5.390 10.987 1.00 70.45 C ATOM 1102 CG LYS A 77 -1.938 -5.322 11.918 1.00 54.15 C ATOM 1103 CD LYS A 77 -1.799 -6.212 13.165 1.00 21.12 C ATOM 1104 CE LYS A 77 -3.040 -6.147 14.067 1.00 45.22 C ATOM 1105 NZ LYS A 77 -3.283 -4.774 14.594 1.00 35.40 N ATOM 0 H LYS A 77 1.086 -5.130 9.251 1.00 11.32 H new ATOM 0 HA LYS A 77 -1.794 -4.894 9.201 1.00 44.43 H new ATOM 0 HB2 LYS A 77 -0.524 -6.430 10.721 1.00 70.45 H new ATOM 0 HB3 LYS A 77 0.166 -5.036 11.527 1.00 70.45 H new ATOM 0 HG2 LYS A 77 -2.092 -4.289 12.231 1.00 54.15 H new ATOM 0 HG3 LYS A 77 -2.826 -5.622 11.362 1.00 54.15 H new ATOM 0 HD2 LYS A 77 -1.631 -7.244 12.856 1.00 21.12 H new ATOM 0 HD3 LYS A 77 -0.922 -5.903 13.734 1.00 21.12 H new ATOM 0 HE2 LYS A 77 -3.913 -6.478 13.505 1.00 45.22 H new ATOM 0 HE3 LYS A 77 -2.917 -6.838 14.901 1.00 45.22 H new ATOM 0 HZ1 LYS A 77 -4.045 -4.803 15.301 1.00 35.40 H new ATOM 0 HZ2 LYS A 77 -2.414 -4.413 15.036 1.00 35.40 H new ATOM 0 HZ3 LYS A 77 -3.560 -4.146 13.813 1.00 35.40 H new ATOM 1119 N GLY A 78 -1.761 -2.349 9.122 1.00 21.45 N ATOM 1120 CA GLY A 78 -2.061 -0.924 9.270 1.00 14.40 C ATOM 1121 C GLY A 78 -0.859 -0.025 9.007 1.00 32.34 C ATOM 1122 O GLY A 78 -0.773 0.603 7.944 1.00 30.12 O ATOM 0 H GLY A 78 -2.167 -2.764 8.284 1.00 21.45 H new ATOM 0 HA2 GLY A 78 -2.864 -0.656 8.583 1.00 14.40 H new ATOM 0 HA3 GLY A 78 -2.430 -0.740 10.279 1.00 14.40 H new ATOM 1126 N GLU A 79 0.063 0.019 9.993 1.00 75.22 N ATOM 1127 CA GLU A 79 1.301 0.812 9.944 1.00 43.20 C ATOM 1128 C GLU A 79 2.196 0.314 8.796 1.00 31.22 C ATOM 1129 O GLU A 79 3.002 -0.611 8.955 1.00 73.52 O ATOM 1130 CB GLU A 79 2.027 0.733 11.329 1.00 25.25 C ATOM 1131 CG GLU A 79 3.158 1.776 11.582 1.00 35.41 C ATOM 1132 CD GLU A 79 4.479 1.535 10.811 1.00 63.12 C ATOM 1133 OE1 GLU A 79 5.194 0.567 11.143 1.00 41.15 O ATOM 1134 OE2 GLU A 79 4.815 2.308 9.880 1.00 74.34 O ATOM 0 H GLU A 79 -0.039 -0.508 10.861 1.00 75.22 H new ATOM 0 HA GLU A 79 1.067 1.858 9.747 1.00 43.20 H new ATOM 0 HB2 GLU A 79 1.278 0.844 12.113 1.00 25.25 H new ATOM 0 HB3 GLU A 79 2.453 -0.265 11.434 1.00 25.25 H new ATOM 0 HG2 GLU A 79 2.781 2.764 11.319 1.00 35.41 H new ATOM 0 HG3 GLU A 79 3.380 1.793 12.649 1.00 35.41 H new ATOM 1141 N TRP A 80 1.970 0.886 7.622 1.00 33.44 N ATOM 1142 CA TRP A 80 2.772 0.650 6.434 1.00 64.44 C ATOM 1143 C TRP A 80 3.643 1.884 6.162 1.00 32.11 C ATOM 1144 O TRP A 80 3.292 2.997 6.555 1.00 60.44 O ATOM 1145 CB TRP A 80 1.809 0.328 5.267 1.00 72.54 C ATOM 1146 CG TRP A 80 2.436 0.289 3.898 1.00 72.43 C ATOM 1147 CD1 TRP A 80 3.362 -0.597 3.413 1.00 61.11 C ATOM 1148 CD2 TRP A 80 2.153 1.192 2.832 1.00 73.21 C ATOM 1149 NE1 TRP A 80 3.654 -0.299 2.109 1.00 34.31 N ATOM 1150 CE2 TRP A 80 2.923 0.798 1.730 1.00 34.14 C ATOM 1151 CE3 TRP A 80 1.306 2.291 2.718 1.00 11.21 C ATOM 1152 CZ2 TRP A 80 2.871 1.469 0.521 1.00 53.42 C ATOM 1153 CZ3 TRP A 80 1.263 2.968 1.522 1.00 31.51 C ATOM 1154 CH2 TRP A 80 2.035 2.549 0.429 1.00 41.54 C ATOM 0 H TRP A 80 1.205 1.543 7.467 1.00 33.44 H new ATOM 0 HA TRP A 80 3.449 -0.195 6.561 1.00 64.44 H new ATOM 0 HB2 TRP A 80 1.342 -0.638 5.461 1.00 72.54 H new ATOM 0 HB3 TRP A 80 1.012 1.072 5.261 1.00 72.54 H new ATOM 0 HD1 TRP A 80 3.797 -1.410 3.976 1.00 61.11 H new ATOM 0 HE1 TRP A 80 4.308 -0.809 1.516 1.00 34.31 H new ATOM 0 HE3 TRP A 80 0.695 2.605 3.552 1.00 11.21 H new ATOM 0 HZ2 TRP A 80 3.469 1.152 -0.321 1.00 53.42 H new ATOM 0 HZ3 TRP A 80 0.626 3.834 1.423 1.00 31.51 H new ATOM 0 HH2 TRP A 80 1.969 3.089 -0.504 1.00 41.54 H new ATOM 1165 N LEU A 81 4.810 1.668 5.548 1.00 41.43 N ATOM 1166 CA LEU A 81 5.666 2.747 5.048 1.00 40.54 C ATOM 1167 C LEU A 81 5.711 2.658 3.523 1.00 50.14 C ATOM 1168 O LEU A 81 6.034 1.598 2.965 1.00 74.30 O ATOM 1169 CB LEU A 81 7.096 2.661 5.638 1.00 54.52 C ATOM 1170 CG LEU A 81 7.243 2.919 7.169 1.00 3.41 C ATOM 1171 CD1 LEU A 81 8.728 2.851 7.593 1.00 64.10 C ATOM 1172 CD2 LEU A 81 6.600 4.265 7.582 1.00 40.11 C ATOM 0 H LEU A 81 5.189 0.735 5.383 1.00 41.43 H new ATOM 0 HA LEU A 81 5.251 3.706 5.359 1.00 40.54 H new ATOM 0 HB2 LEU A 81 7.494 1.670 5.421 1.00 54.52 H new ATOM 0 HB3 LEU A 81 7.724 3.379 5.111 1.00 54.52 H new ATOM 0 HG LEU A 81 6.705 2.131 7.695 1.00 3.41 H new ATOM 0 HD11 LEU A 81 8.809 3.034 8.665 1.00 64.10 H new ATOM 0 HD12 LEU A 81 9.128 1.864 7.362 1.00 64.10 H new ATOM 0 HD13 LEU A 81 9.296 3.608 7.052 1.00 64.10 H new ATOM 0 HD21 LEU A 81 6.721 4.412 8.655 1.00 40.11 H new ATOM 0 HD22 LEU A 81 7.087 5.080 7.047 1.00 40.11 H new ATOM 0 HD23 LEU A 81 5.538 4.252 7.335 1.00 40.11 H new ATOM 1184 N CYS A 82 5.376 3.774 2.872 1.00 11.30 N ATOM 1185 CA CYS A 82 5.361 3.899 1.415 1.00 1.30 C ATOM 1186 C CYS A 82 6.787 3.806 0.822 1.00 14.12 C ATOM 1187 O CYS A 82 7.773 3.928 1.562 1.00 21.34 O ATOM 1188 CB CYS A 82 4.698 5.246 1.048 1.00 35.24 C ATOM 1189 SG CYS A 82 5.534 6.697 1.753 1.00 24.24 S ATOM 0 H CYS A 82 5.103 4.631 3.353 1.00 11.30 H new ATOM 0 HA CYS A 82 4.790 3.074 0.988 1.00 1.30 H new ATOM 0 HB2 CYS A 82 4.675 5.344 -0.037 1.00 35.24 H new ATOM 0 HB3 CYS A 82 3.663 5.235 1.389 1.00 35.24 H new ATOM 0 HG CYS A 82 6.008 6.398 2.926 1.00 24.24 H new ATOM 1194 N PRO A 83 6.932 3.570 -0.532 1.00 3.35 N ATOM 1195 CA PRO A 83 8.238 3.725 -1.242 1.00 41.13 C ATOM 1196 C PRO A 83 8.891 5.108 -0.988 1.00 74.03 C ATOM 1197 O PRO A 83 10.113 5.250 -1.036 1.00 45.43 O ATOM 1198 CB PRO A 83 7.851 3.553 -2.733 1.00 34.44 C ATOM 1199 CG PRO A 83 6.633 2.670 -2.700 1.00 33.11 C ATOM 1200 CD PRO A 83 5.863 3.084 -1.459 1.00 25.12 C ATOM 0 HA PRO A 83 8.983 3.007 -0.899 1.00 41.13 H new ATOM 0 HB2 PRO A 83 7.634 4.513 -3.201 1.00 34.44 H new ATOM 0 HB3 PRO A 83 8.659 3.095 -3.304 1.00 34.44 H new ATOM 0 HG2 PRO A 83 6.029 2.801 -3.598 1.00 33.11 H new ATOM 0 HG3 PRO A 83 6.913 1.617 -2.655 1.00 33.11 H new ATOM 0 HD2 PRO A 83 5.137 3.866 -1.679 1.00 25.12 H new ATOM 0 HD3 PRO A 83 5.311 2.247 -1.031 1.00 25.12 H new ATOM 1208 N ARG A 84 8.037 6.104 -0.691 1.00 32.04 N ATOM 1209 CA ARG A 84 8.448 7.483 -0.364 1.00 54.11 C ATOM 1210 C ARG A 84 9.004 7.603 1.073 1.00 61.24 C ATOM 1211 O ARG A 84 9.612 8.616 1.414 1.00 74.33 O ATOM 1212 CB ARG A 84 7.253 8.449 -0.548 1.00 3.12 C ATOM 1213 CG ARG A 84 6.648 8.456 -1.971 1.00 31.52 C ATOM 1214 CD ARG A 84 5.457 9.430 -2.085 1.00 50.31 C ATOM 1215 NE ARG A 84 4.957 9.552 -3.461 1.00 22.51 N ATOM 1216 CZ ARG A 84 5.241 10.560 -4.299 1.00 22.10 C ATOM 1217 NH1 ARG A 84 6.041 11.554 -3.915 1.00 20.43 N ATOM 1218 NH2 ARG A 84 4.712 10.567 -5.510 1.00 15.40 N ATOM 0 H ARG A 84 7.026 5.972 -0.671 1.00 32.04 H new ATOM 0 HA ARG A 84 9.251 7.754 -1.049 1.00 54.11 H new ATOM 0 HB2 ARG A 84 6.472 8.181 0.164 1.00 3.12 H new ATOM 0 HB3 ARG A 84 7.577 9.460 -0.300 1.00 3.12 H new ATOM 0 HG2 ARG A 84 7.417 8.737 -2.691 1.00 31.52 H new ATOM 0 HG3 ARG A 84 6.320 7.450 -2.231 1.00 31.52 H new ATOM 0 HD2 ARG A 84 4.649 9.088 -1.438 1.00 50.31 H new ATOM 0 HD3 ARG A 84 5.760 10.413 -1.724 1.00 50.31 H new ATOM 0 HE ARG A 84 4.346 8.812 -3.806 1.00 22.51 H new ATOM 0 HH11 ARG A 84 6.443 11.552 -2.977 1.00 20.43 H new ATOM 0 HH12 ARG A 84 6.252 12.317 -4.559 1.00 20.43 H new ATOM 0 HH21 ARG A 84 4.093 9.810 -5.801 1.00 15.40 H new ATOM 0 HH22 ARG A 84 4.922 11.329 -6.154 1.00 15.40 H new ATOM 1232 N CYS A 85 8.693 6.632 1.942 1.00 33.14 N ATOM 1233 CA CYS A 85 9.304 6.526 3.290 1.00 33.40 C ATOM 1234 C CYS A 85 10.642 5.774 3.229 1.00 22.12 C ATOM 1235 O CYS A 85 11.606 6.130 3.920 1.00 14.41 O ATOM 1236 CB CYS A 85 8.338 5.819 4.253 1.00 33.41 C ATOM 1237 SG CYS A 85 6.757 6.687 4.464 1.00 62.53 S ATOM 0 H CYS A 85 8.015 5.897 1.740 1.00 33.14 H new ATOM 0 HA CYS A 85 9.498 7.533 3.659 1.00 33.40 H new ATOM 0 HB2 CYS A 85 8.144 4.812 3.885 1.00 33.41 H new ATOM 0 HB3 CYS A 85 8.819 5.716 5.226 1.00 33.41 H new ATOM 0 HG CYS A 85 5.813 5.821 4.687 1.00 62.53 H new ATOM 1242 N VAL A 86 10.668 4.722 2.403 1.00 34.11 N ATOM 1243 CA VAL A 86 11.833 3.844 2.254 1.00 2.40 C ATOM 1244 C VAL A 86 13.012 4.578 1.564 1.00 75.33 C ATOM 1245 O VAL A 86 14.167 4.461 1.996 1.00 22.45 O ATOM 1246 CB VAL A 86 11.459 2.537 1.452 1.00 40.45 C ATOM 1247 CG1 VAL A 86 12.668 1.575 1.345 1.00 23.01 C ATOM 1248 CG2 VAL A 86 10.236 1.812 2.083 1.00 53.21 C ATOM 0 H VAL A 86 9.877 4.455 1.816 1.00 34.11 H new ATOM 0 HA VAL A 86 12.152 3.557 3.256 1.00 2.40 H new ATOM 0 HB VAL A 86 11.183 2.846 0.444 1.00 40.45 H new ATOM 0 HG11 VAL A 86 12.377 0.685 0.787 1.00 23.01 H new ATOM 0 HG12 VAL A 86 13.487 2.076 0.828 1.00 23.01 H new ATOM 0 HG13 VAL A 86 12.993 1.286 2.345 1.00 23.01 H new ATOM 0 HG21 VAL A 86 10.006 0.917 1.506 1.00 53.21 H new ATOM 0 HG22 VAL A 86 10.469 1.531 3.110 1.00 53.21 H new ATOM 0 HG23 VAL A 86 9.374 2.479 2.076 1.00 53.21 H new ATOM 1258 N VAL A 87 12.698 5.346 0.501 1.00 32.31 N ATOM 1259 CA VAL A 87 13.700 6.065 -0.328 1.00 1.13 C ATOM 1260 C VAL A 87 13.657 7.592 -0.039 1.00 13.24 C ATOM 1261 O VAL A 87 14.399 8.367 -0.652 1.00 35.51 O ATOM 1262 CB VAL A 87 13.455 5.779 -1.875 1.00 4.35 C ATOM 1263 CG1 VAL A 87 14.684 6.162 -2.738 1.00 11.13 C ATOM 1264 CG2 VAL A 87 13.059 4.297 -2.115 1.00 73.41 C ATOM 0 H VAL A 87 11.738 5.489 0.188 1.00 32.31 H new ATOM 0 HA VAL A 87 14.691 5.696 -0.064 1.00 1.13 H new ATOM 0 HB VAL A 87 12.625 6.412 -2.187 1.00 4.35 H new ATOM 0 HG11 VAL A 87 14.473 5.950 -3.786 1.00 11.13 H new ATOM 0 HG12 VAL A 87 14.896 7.224 -2.618 1.00 11.13 H new ATOM 0 HG13 VAL A 87 15.549 5.581 -2.418 1.00 11.13 H new ATOM 0 HG21 VAL A 87 12.898 4.131 -3.180 1.00 73.41 H new ATOM 0 HG22 VAL A 87 13.859 3.645 -1.763 1.00 73.41 H new ATOM 0 HG23 VAL A 87 12.142 4.073 -1.570 1.00 73.41 H new ATOM 1274 N GLU A 88 12.822 8.006 0.949 1.00 24.15 N ATOM 1275 CA GLU A 88 12.545 9.426 1.280 1.00 30.21 C ATOM 1276 C GLU A 88 11.944 10.214 0.080 1.00 11.35 C ATOM 1277 O GLU A 88 11.732 9.668 -1.014 1.00 45.43 O ATOM 1278 CB GLU A 88 13.798 10.149 1.862 1.00 41.31 C ATOM 1279 CG GLU A 88 14.325 9.588 3.208 1.00 23.44 C ATOM 1280 CD GLU A 88 15.078 8.249 3.103 1.00 54.34 C ATOM 1281 OE1 GLU A 88 16.265 8.258 2.696 1.00 35.34 O ATOM 1282 OE2 GLU A 88 14.491 7.189 3.411 1.00 3.00 O ATOM 0 H GLU A 88 12.316 7.352 1.546 1.00 24.15 H new ATOM 0 HA GLU A 88 11.785 9.409 2.061 1.00 30.21 H new ATOM 0 HB2 GLU A 88 14.601 10.096 1.127 1.00 41.31 H new ATOM 0 HB3 GLU A 88 13.558 11.204 1.997 1.00 41.31 H new ATOM 0 HG2 GLU A 88 14.988 10.327 3.658 1.00 23.44 H new ATOM 0 HG3 GLU A 88 13.482 9.461 3.887 1.00 23.44 H new ATOM 1289 N GLU A 89 11.605 11.496 0.325 1.00 42.31 N ATOM 1290 CA GLU A 89 11.160 12.423 -0.727 1.00 3.41 C ATOM 1291 C GLU A 89 12.385 12.948 -1.472 1.00 44.23 C ATOM 1292 O GLU A 89 13.040 13.896 -1.022 1.00 72.33 O ATOM 1293 CB GLU A 89 10.303 13.591 -0.147 1.00 10.32 C ATOM 1294 CG GLU A 89 8.826 13.236 0.120 1.00 51.03 C ATOM 1295 CD GLU A 89 8.049 12.897 -1.168 1.00 70.41 C ATOM 1296 OE1 GLU A 89 7.631 13.830 -1.883 1.00 72.44 O ATOM 1297 OE2 GLU A 89 7.863 11.701 -1.476 1.00 63.33 O ATOM 0 H GLU A 89 11.633 11.913 1.255 1.00 42.31 H new ATOM 0 HA GLU A 89 10.515 11.886 -1.422 1.00 3.41 H new ATOM 0 HB2 GLU A 89 10.756 13.927 0.786 1.00 10.32 H new ATOM 0 HB3 GLU A 89 10.341 14.431 -0.841 1.00 10.32 H new ATOM 0 HG2 GLU A 89 8.779 12.386 0.801 1.00 51.03 H new ATOM 0 HG3 GLU A 89 8.341 14.074 0.621 1.00 51.03 H new ATOM 1304 N VAL A 90 12.720 12.275 -2.580 1.00 22.43 N ATOM 1305 CA VAL A 90 13.856 12.648 -3.427 1.00 21.01 C ATOM 1306 C VAL A 90 13.411 13.786 -4.369 1.00 64.41 C ATOM 1307 O VAL A 90 13.089 13.559 -5.547 1.00 33.41 O ATOM 1308 CB VAL A 90 14.420 11.411 -4.233 1.00 54.22 C ATOM 1309 CG1 VAL A 90 15.728 11.763 -4.982 1.00 61.30 C ATOM 1310 CG2 VAL A 90 14.631 10.186 -3.306 1.00 5.55 C ATOM 0 H VAL A 90 12.210 11.457 -2.913 1.00 22.43 H new ATOM 0 HA VAL A 90 14.676 12.995 -2.798 1.00 21.01 H new ATOM 0 HB VAL A 90 13.672 11.147 -4.981 1.00 54.22 H new ATOM 0 HG11 VAL A 90 16.084 10.887 -5.524 1.00 61.30 H new ATOM 0 HG12 VAL A 90 15.537 12.573 -5.686 1.00 61.30 H new ATOM 0 HG13 VAL A 90 16.485 12.078 -4.264 1.00 61.30 H new ATOM 0 HG21 VAL A 90 15.020 9.351 -3.889 1.00 5.55 H new ATOM 0 HG22 VAL A 90 15.342 10.442 -2.521 1.00 5.55 H new ATOM 0 HG23 VAL A 90 13.680 9.902 -2.856 1.00 5.55 H new ATOM 1320 N SER A 91 13.323 15.001 -3.794 1.00 42.24 N ATOM 1321 CA SER A 91 12.840 16.203 -4.485 1.00 2.54 C ATOM 1322 C SER A 91 13.737 16.551 -5.685 1.00 74.03 C ATOM 1323 O SER A 91 14.954 16.361 -5.619 1.00 25.20 O ATOM 1324 CB SER A 91 12.785 17.383 -3.489 1.00 62.44 C ATOM 1325 OG SER A 91 12.022 17.039 -2.341 1.00 15.42 O ATOM 0 H SER A 91 13.590 15.173 -2.825 1.00 42.24 H new ATOM 0 HA SER A 91 11.838 16.007 -4.868 1.00 2.54 H new ATOM 0 HB2 SER A 91 13.796 17.660 -3.190 1.00 62.44 H new ATOM 0 HB3 SER A 91 12.347 18.255 -3.975 1.00 62.44 H new ATOM 0 HG SER A 91 12.001 17.799 -1.722 1.00 15.42 H new ATOM 1331 N LYS A 92 13.119 17.038 -6.775 1.00 41.23 N ATOM 1332 CA LYS A 92 13.833 17.434 -8.003 1.00 33.42 C ATOM 1333 C LYS A 92 14.857 18.555 -7.685 1.00 10.32 C ATOM 1334 O LYS A 92 14.445 19.683 -7.374 1.00 50.31 O ATOM 1335 CB LYS A 92 12.818 17.899 -9.075 1.00 75.13 C ATOM 1336 CG LYS A 92 11.798 16.810 -9.483 1.00 63.01 C ATOM 1337 CD LYS A 92 10.751 17.306 -10.503 1.00 0.20 C ATOM 1338 CE LYS A 92 9.857 18.431 -9.944 1.00 44.42 C ATOM 1339 NZ LYS A 92 8.795 18.819 -10.909 1.00 22.14 N ATOM 0 H LYS A 92 12.109 17.169 -6.830 1.00 41.23 H new ATOM 0 HA LYS A 92 14.379 16.576 -8.395 1.00 33.42 H new ATOM 0 HB2 LYS A 92 12.277 18.767 -8.698 1.00 75.13 H new ATOM 0 HB3 LYS A 92 13.363 18.224 -9.961 1.00 75.13 H new ATOM 0 HG2 LYS A 92 12.334 15.961 -9.907 1.00 63.01 H new ATOM 0 HG3 LYS A 92 11.285 16.450 -8.591 1.00 63.01 H new ATOM 0 HD2 LYS A 92 11.262 17.665 -11.396 1.00 0.20 H new ATOM 0 HD3 LYS A 92 10.124 16.469 -10.809 1.00 0.20 H new ATOM 0 HE2 LYS A 92 9.399 18.102 -9.011 1.00 44.42 H new ATOM 0 HE3 LYS A 92 10.471 19.301 -9.709 1.00 44.42 H new ATOM 0 HZ1 LYS A 92 8.214 19.578 -10.499 1.00 22.14 H new ATOM 0 HZ2 LYS A 92 9.233 19.156 -11.790 1.00 22.14 H new ATOM 0 HZ3 LYS A 92 8.194 17.995 -11.114 1.00 22.14 H new ATOM 1353 N PRO A 93 16.203 18.250 -7.721 1.00 4.21 N ATOM 1354 CA PRO A 93 17.258 19.209 -7.325 1.00 41.11 C ATOM 1355 C PRO A 93 17.545 20.228 -8.452 1.00 24.15 C ATOM 1356 O PRO A 93 18.561 20.153 -9.153 1.00 44.05 O ATOM 1357 CB PRO A 93 18.461 18.280 -7.015 1.00 32.12 C ATOM 1358 CG PRO A 93 18.294 17.113 -7.954 1.00 11.42 C ATOM 1359 CD PRO A 93 16.794 16.951 -8.171 1.00 41.01 C ATOM 0 HA PRO A 93 16.993 19.837 -6.474 1.00 41.11 H new ATOM 0 HB2 PRO A 93 19.409 18.791 -7.182 1.00 32.12 H new ATOM 0 HB3 PRO A 93 18.453 17.956 -5.974 1.00 32.12 H new ATOM 0 HG2 PRO A 93 18.806 17.297 -8.898 1.00 11.42 H new ATOM 0 HG3 PRO A 93 18.726 16.207 -7.529 1.00 11.42 H new ATOM 0 HD2 PRO A 93 16.564 16.753 -9.218 1.00 41.01 H new ATOM 0 HD3 PRO A 93 16.398 16.115 -7.594 1.00 41.01 H new ATOM 1367 N GLN A 94 16.595 21.150 -8.638 1.00 4.41 N ATOM 1368 CA GLN A 94 16.647 22.176 -9.685 1.00 53.31 C ATOM 1369 C GLN A 94 17.018 23.531 -9.028 1.00 62.51 C ATOM 1370 O GLN A 94 16.118 24.351 -8.741 1.00 45.51 O ATOM 1371 CB GLN A 94 15.277 22.211 -10.432 1.00 73.04 C ATOM 1372 CG GLN A 94 14.848 20.855 -11.029 1.00 30.41 C ATOM 1373 CD GLN A 94 13.498 20.898 -11.747 1.00 20.41 C ATOM 1374 OE1 GLN A 94 12.449 20.688 -11.135 1.00 54.21 O ATOM 1375 NE2 GLN A 94 13.510 21.167 -13.043 1.00 53.44 N ATOM 1376 OXT GLN A 94 18.218 23.735 -8.741 1.00 38.99 O ATOM 0 H GLN A 94 15.758 21.206 -8.058 1.00 4.41 H new ATOM 0 HA GLN A 94 17.410 21.953 -10.431 1.00 53.31 H new ATOM 0 HB2 GLN A 94 14.507 22.550 -9.739 1.00 73.04 H new ATOM 0 HB3 GLN A 94 15.332 22.947 -11.234 1.00 73.04 H new ATOM 0 HG2 GLN A 94 15.612 20.519 -11.730 1.00 30.41 H new ATOM 0 HG3 GLN A 94 14.801 20.115 -10.230 1.00 30.41 H new ATOM 0 HE21 GLN A 94 14.395 21.336 -13.521 1.00 53.44 H new ATOM 0 HE22 GLN A 94 12.634 21.205 -13.564 1.00 53.44 H new TER 1385 GLN A 94 HETATM 1386 ZN ZN A 101 -5.997 0.346 -4.787 1.00 51.11 ZN HETATM 1387 ZN ZN A 102 6.384 8.499 4.091 1.00 21.13 ZN