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 59 CYS SG : rot 67:sc= -3.37! USER MOD Set 1.2: A 82 CYS SG : rot -113:sc= -5.65! USER MOD Set 1.3: A 85 CYS SG : rot 96:sc= -5.02! USER MOD Set 2.1: A 41 CYS SG : rot -124:sc= 2.43 USER MOD Set 2.2: A 44 CYS SG : rot 112:sc= -4.05! USER MOD Set 2.3: A 67 CYS SG : rot -143:sc= -7.93! USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl -127:sc= -0.1 (180deg=-0.57) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.016 USER MOD Single : A 11 THR OG1 : rot 51:sc= 0.133 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.00199 USER MOD Single : A 16 ASN : amide:sc=-0.00567 X(o=-0.0057,f=0) USER MOD Single : A 17 THR OG1 : rot 48:sc= 0.119 USER MOD Single : A 21 SER OG : rot 180:sc= 0.00196 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 167:sc= -0.0218 (180deg=-0.181) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= 1.09 (180deg=0.682) USER MOD Single : A 39 TYR OH : rot 67:sc= 1.3 USER MOD Single : A 42 HIS : no HE2:sc= 0.00671 X(o=0.0067,f=-0.28) USER MOD Single : A 45 ASN : amide:sc= -0.602 X(o=-0.6,f=-0.19) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 145:sc= -1.73 (180deg=-3.7!) USER MOD Single : A 62 SER OG : rot 160:sc= 0 USER MOD Single : A 63 TYR OH : rot 101:sc= 0.42 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0289 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -106.109 3.448 2.737 1.00 13.21 N ATOM 2 CA SER A 1 -106.499 4.377 3.811 1.00 54.52 C ATOM 3 C SER A 1 -105.360 4.493 4.833 1.00 12.25 C ATOM 4 O SER A 1 -104.859 3.475 5.336 1.00 52.05 O ATOM 5 CB SER A 1 -107.803 3.898 4.490 1.00 74.55 C ATOM 6 OG SER A 1 -108.234 4.795 5.507 1.00 24.23 O ATOM 0 H1 SER A 1 -106.883 3.372 2.046 1.00 13.21 H new ATOM 0 H2 SER A 1 -105.255 3.805 2.262 1.00 13.21 H new ATOM 0 H3 SER A 1 -105.913 2.511 3.143 1.00 13.21 H new ATOM 0 HA SER A 1 -106.685 5.362 3.383 1.00 54.52 H new ATOM 0 HB2 SER A 1 -108.587 3.797 3.739 1.00 74.55 H new ATOM 0 HB3 SER A 1 -107.645 2.909 4.921 1.00 74.55 H new ATOM 0 HG SER A 1 -109.061 4.459 5.911 1.00 24.23 H new ATOM 14 N HIS A 2 -104.930 5.737 5.101 1.00 62.22 N ATOM 15 CA HIS A 2 -103.934 6.065 6.131 1.00 72.42 C ATOM 16 C HIS A 2 -104.580 7.006 7.156 1.00 71.24 C ATOM 17 O HIS A 2 -104.940 8.146 6.819 1.00 64.02 O ATOM 18 CB HIS A 2 -102.678 6.729 5.503 1.00 22.41 C ATOM 19 CG HIS A 2 -101.954 5.865 4.502 1.00 14.05 C ATOM 20 ND1 HIS A 2 -101.027 4.930 4.896 1.00 3.04 N ATOM 21 CD2 HIS A 2 -102.045 5.846 3.150 1.00 64.24 C ATOM 22 CE1 HIS A 2 -100.584 4.368 3.787 1.00 34.35 C ATOM 23 NE2 HIS A 2 -101.170 4.891 2.705 1.00 11.24 N ATOM 0 H HIS A 2 -105.272 6.556 4.598 1.00 62.22 H new ATOM 0 HA HIS A 2 -103.608 5.147 6.621 1.00 72.42 H new ATOM 0 HB2 HIS A 2 -102.977 7.657 5.015 1.00 22.41 H new ATOM 0 HB3 HIS A 2 -101.986 6.998 6.301 1.00 22.41 H new ATOM 0 HD2 HIS A 2 -102.685 6.466 2.540 1.00 64.24 H new ATOM 0 HE1 HIS A 2 -99.842 3.584 3.757 1.00 34.35 H new ATOM 0 HE2 HIS A 2 -100.998 4.629 1.734 1.00 11.24 H new ATOM 31 N MET A 3 -104.753 6.512 8.393 1.00 4.21 N ATOM 32 CA MET A 3 -105.312 7.302 9.511 1.00 24.13 C ATOM 33 C MET A 3 -104.320 8.403 9.961 1.00 23.21 C ATOM 34 O MET A 3 -103.147 8.409 9.546 1.00 71.05 O ATOM 35 CB MET A 3 -105.671 6.378 10.712 1.00 42.23 C ATOM 36 CG MET A 3 -104.491 5.590 11.307 1.00 34.32 C ATOM 37 SD MET A 3 -104.901 4.783 12.872 1.00 12.22 S ATOM 38 CE MET A 3 -105.121 6.197 13.955 1.00 51.03 C ATOM 0 H MET A 3 -104.511 5.555 8.650 1.00 4.21 H new ATOM 0 HA MET A 3 -106.223 7.784 9.157 1.00 24.13 H new ATOM 0 HB2 MET A 3 -106.114 6.988 11.499 1.00 42.23 H new ATOM 0 HB3 MET A 3 -106.434 5.670 10.390 1.00 42.23 H new ATOM 0 HG2 MET A 3 -104.166 4.836 10.590 1.00 34.32 H new ATOM 0 HG3 MET A 3 -103.650 6.266 11.462 1.00 34.32 H new ATOM 0 HE1 MET A 3 -104.497 6.078 14.841 1.00 51.03 H new ATOM 0 HE2 MET A 3 -104.834 7.107 13.428 1.00 51.03 H new ATOM 0 HE3 MET A 3 -106.167 6.266 14.255 1.00 51.03 H new ATOM 48 N SER A 4 -104.808 9.328 10.804 1.00 52.22 N ATOM 49 CA SER A 4 -103.978 10.374 11.415 1.00 31.31 C ATOM 50 C SER A 4 -103.022 9.724 12.441 1.00 11.43 C ATOM 51 O SER A 4 -103.462 9.258 13.497 1.00 43.11 O ATOM 52 CB SER A 4 -104.876 11.442 12.085 1.00 71.33 C ATOM 53 OG SER A 4 -104.111 12.538 12.558 1.00 21.33 O ATOM 0 H SER A 4 -105.789 9.370 11.080 1.00 52.22 H new ATOM 0 HA SER A 4 -103.385 10.873 10.649 1.00 31.31 H new ATOM 0 HB2 SER A 4 -105.618 11.796 11.370 1.00 71.33 H new ATOM 0 HB3 SER A 4 -105.422 10.992 12.914 1.00 71.33 H new ATOM 0 HG SER A 4 -104.706 13.196 12.974 1.00 21.33 H new ATOM 59 N GLY A 5 -101.723 9.654 12.091 1.00 20.14 N ATOM 60 CA GLY A 5 -100.706 8.939 12.881 1.00 52.22 C ATOM 61 C GLY A 5 -100.297 7.615 12.230 1.00 1.03 C ATOM 62 O GLY A 5 -99.252 7.045 12.570 1.00 73.12 O ATOM 0 H GLY A 5 -101.350 10.094 11.250 1.00 20.14 H new ATOM 0 HA2 GLY A 5 -99.826 9.572 12.997 1.00 52.22 H new ATOM 0 HA3 GLY A 5 -101.094 8.746 13.881 1.00 52.22 H new ATOM 66 N GLY A 6 -101.139 7.134 11.291 1.00 55.32 N ATOM 67 CA GLY A 6 -100.892 5.895 10.554 1.00 24.14 C ATOM 68 C GLY A 6 -99.756 6.028 9.551 1.00 71.01 C ATOM 69 O GLY A 6 -99.845 6.835 8.615 1.00 62.03 O ATOM 0 H GLY A 6 -102.007 7.600 11.029 1.00 55.32 H new ATOM 0 HA2 GLY A 6 -100.658 5.098 11.259 1.00 24.14 H new ATOM 0 HA3 GLY A 6 -101.802 5.600 10.030 1.00 24.14 H new ATOM 73 N SER A 7 -98.704 5.221 9.756 1.00 0.12 N ATOM 74 CA SER A 7 -97.479 5.232 8.946 1.00 33.41 C ATOM 75 C SER A 7 -96.676 3.945 9.234 1.00 31.14 C ATOM 76 O SER A 7 -96.801 3.391 10.338 1.00 13.43 O ATOM 77 CB SER A 7 -96.632 6.497 9.276 1.00 20.31 C ATOM 78 OG SER A 7 -95.435 6.559 8.512 1.00 42.23 O ATOM 0 H SER A 7 -98.682 4.529 10.505 1.00 0.12 H new ATOM 0 HA SER A 7 -97.735 5.264 7.887 1.00 33.41 H new ATOM 0 HB2 SER A 7 -97.228 7.390 9.087 1.00 20.31 H new ATOM 0 HB3 SER A 7 -96.384 6.498 10.337 1.00 20.31 H new ATOM 0 HG SER A 7 -94.937 7.368 8.750 1.00 42.23 H new ATOM 84 N PRO A 8 -95.859 3.424 8.249 1.00 23.33 N ATOM 85 CA PRO A 8 -94.873 2.355 8.545 1.00 70.14 C ATOM 86 C PRO A 8 -93.805 2.885 9.533 1.00 63.23 C ATOM 87 O PRO A 8 -93.204 3.943 9.294 1.00 43.20 O ATOM 88 CB PRO A 8 -94.281 2.007 7.150 1.00 0.25 C ATOM 89 CG PRO A 8 -94.534 3.227 6.304 1.00 71.33 C ATOM 90 CD PRO A 8 -95.846 3.803 6.803 1.00 23.11 C ATOM 0 HA PRO A 8 -95.299 1.475 9.026 1.00 70.14 H new ATOM 0 HB2 PRO A 8 -93.215 1.787 7.217 1.00 0.25 H new ATOM 0 HB3 PRO A 8 -94.762 1.126 6.726 1.00 0.25 H new ATOM 0 HG2 PRO A 8 -93.724 3.950 6.406 1.00 71.33 H new ATOM 0 HG3 PRO A 8 -94.597 2.966 5.248 1.00 71.33 H new ATOM 0 HD2 PRO A 8 -95.887 4.884 6.670 1.00 23.11 H new ATOM 0 HD3 PRO A 8 -96.699 3.383 6.269 1.00 23.11 H new ATOM 98 N LEU A 9 -93.625 2.163 10.653 1.00 12.43 N ATOM 99 CA LEU A 9 -92.759 2.581 11.770 1.00 14.14 C ATOM 100 C LEU A 9 -91.278 2.462 11.355 1.00 21.10 C ATOM 101 O LEU A 9 -90.657 1.398 11.490 1.00 63.14 O ATOM 102 CB LEU A 9 -93.067 1.750 13.060 1.00 71.54 C ATOM 103 CG LEU A 9 -94.455 2.005 13.768 1.00 45.30 C ATOM 104 CD1 LEU A 9 -95.662 1.578 12.900 1.00 31.44 C ATOM 105 CD2 LEU A 9 -94.513 1.313 15.149 1.00 44.15 C ATOM 0 H LEU A 9 -94.081 1.264 10.810 1.00 12.43 H new ATOM 0 HA LEU A 9 -92.965 3.625 12.007 1.00 14.14 H new ATOM 0 HB2 LEU A 9 -93.008 0.692 12.803 1.00 71.54 H new ATOM 0 HB3 LEU A 9 -92.277 1.946 13.785 1.00 71.54 H new ATOM 0 HG LEU A 9 -94.530 3.083 13.909 1.00 45.30 H new ATOM 0 HD11 LEU A 9 -96.587 1.778 13.440 1.00 31.44 H new ATOM 0 HD12 LEU A 9 -95.657 2.142 11.967 1.00 31.44 H new ATOM 0 HD13 LEU A 9 -95.593 0.513 12.680 1.00 31.44 H new ATOM 0 HD21 LEU A 9 -95.480 1.506 15.613 1.00 44.15 H new ATOM 0 HD22 LEU A 9 -94.379 0.239 15.024 1.00 44.15 H new ATOM 0 HD23 LEU A 9 -93.721 1.705 15.786 1.00 44.15 H new ATOM 117 N ALA A 10 -90.757 3.569 10.794 1.00 5.34 N ATOM 118 CA ALA A 10 -89.410 3.644 10.205 1.00 22.23 C ATOM 119 C ALA A 10 -88.323 3.652 11.294 1.00 64.44 C ATOM 120 O ALA A 10 -87.850 4.709 11.725 1.00 60.54 O ATOM 121 CB ALA A 10 -89.302 4.878 9.278 1.00 64.00 C ATOM 0 H ALA A 10 -91.269 4.449 10.737 1.00 5.34 H new ATOM 0 HA ALA A 10 -89.245 2.752 9.601 1.00 22.23 H new ATOM 0 HB1 ALA A 10 -88.301 4.923 8.848 1.00 64.00 H new ATOM 0 HB2 ALA A 10 -90.038 4.797 8.478 1.00 64.00 H new ATOM 0 HB3 ALA A 10 -89.491 5.784 9.854 1.00 64.00 H new ATOM 127 N THR A 11 -87.988 2.448 11.772 1.00 21.01 N ATOM 128 CA THR A 11 -86.883 2.216 12.705 1.00 41.00 C ATOM 129 C THR A 11 -85.571 2.128 11.905 1.00 51.24 C ATOM 130 O THR A 11 -85.116 1.037 11.542 1.00 32.12 O ATOM 131 CB THR A 11 -87.143 0.906 13.540 1.00 74.24 C ATOM 132 OG1 THR A 11 -87.531 -0.166 12.663 1.00 30.21 O ATOM 133 CG2 THR A 11 -88.234 1.113 14.606 1.00 23.30 C ATOM 0 H THR A 11 -88.486 1.595 11.516 1.00 21.01 H new ATOM 0 HA THR A 11 -86.807 3.041 13.413 1.00 41.00 H new ATOM 0 HB THR A 11 -86.214 0.654 14.051 1.00 74.24 H new ATOM 0 HG1 THR A 11 -86.889 -0.234 11.926 1.00 30.21 H new ATOM 0 HG21 THR A 11 -88.383 0.186 15.159 1.00 23.30 H new ATOM 0 HG22 THR A 11 -87.926 1.901 15.294 1.00 23.30 H new ATOM 0 HG23 THR A 11 -89.167 1.399 14.121 1.00 23.30 H new ATOM 141 N GLY A 12 -85.015 3.304 11.561 1.00 5.31 N ATOM 142 CA GLY A 12 -83.790 3.397 10.765 1.00 72.11 C ATOM 143 C GLY A 12 -82.735 4.232 11.464 1.00 64.55 C ATOM 144 O GLY A 12 -83.021 5.344 11.914 1.00 11.01 O ATOM 0 H GLY A 12 -85.404 4.208 11.828 1.00 5.31 H new ATOM 0 HA2 GLY A 12 -83.399 2.397 10.579 1.00 72.11 H new ATOM 0 HA3 GLY A 12 -84.018 3.836 9.794 1.00 72.11 H new ATOM 148 N THR A 13 -81.520 3.683 11.586 1.00 54.02 N ATOM 149 CA THR A 13 -80.351 4.388 12.138 1.00 65.51 C ATOM 150 C THR A 13 -79.282 4.518 11.043 1.00 31.42 C ATOM 151 O THR A 13 -79.285 3.758 10.058 1.00 50.10 O ATOM 152 CB THR A 13 -79.767 3.643 13.388 1.00 72.30 C ATOM 153 OG1 THR A 13 -79.474 2.281 13.044 1.00 52.41 O ATOM 154 CG2 THR A 13 -80.731 3.674 14.592 1.00 21.43 C ATOM 0 H THR A 13 -81.316 2.725 11.301 1.00 54.02 H new ATOM 0 HA THR A 13 -80.664 5.378 12.469 1.00 65.51 H new ATOM 0 HB THR A 13 -78.856 4.164 13.683 1.00 72.30 H new ATOM 0 HG1 THR A 13 -79.108 1.818 13.826 1.00 52.41 H new ATOM 0 HG21 THR A 13 -80.281 3.145 15.432 1.00 21.43 H new ATOM 0 HG22 THR A 13 -80.925 4.708 14.876 1.00 21.43 H new ATOM 0 HG23 THR A 13 -81.669 3.191 14.319 1.00 21.43 H new ATOM 162 N THR A 14 -78.375 5.481 11.219 1.00 22.10 N ATOM 163 CA THR A 14 -77.303 5.790 10.262 1.00 52.42 C ATOM 164 C THR A 14 -75.943 5.806 10.992 1.00 71.33 C ATOM 165 O THR A 14 -75.896 5.883 12.230 1.00 71.34 O ATOM 166 CB THR A 14 -77.579 7.162 9.555 1.00 45.35 C ATOM 167 OG1 THR A 14 -76.574 7.429 8.563 1.00 64.32 O ATOM 168 CG2 THR A 14 -77.640 8.335 10.556 1.00 44.30 C ATOM 0 H THR A 14 -78.362 6.080 12.044 1.00 22.10 H new ATOM 0 HA THR A 14 -77.275 5.018 9.493 1.00 52.42 H new ATOM 0 HB THR A 14 -78.555 7.079 9.077 1.00 45.35 H new ATOM 0 HG1 THR A 14 -76.762 8.288 8.130 1.00 64.32 H new ATOM 0 HG21 THR A 14 -77.833 9.263 10.018 1.00 44.30 H new ATOM 0 HG22 THR A 14 -78.440 8.159 11.275 1.00 44.30 H new ATOM 0 HG23 THR A 14 -76.689 8.413 11.084 1.00 44.30 H new ATOM 176 N ALA A 15 -74.847 5.716 10.214 1.00 11.21 N ATOM 177 CA ALA A 15 -73.474 5.696 10.745 1.00 34.22 C ATOM 178 C ALA A 15 -72.462 5.986 9.624 1.00 32.24 C ATOM 179 O ALA A 15 -71.943 5.064 8.979 1.00 1.23 O ATOM 180 CB ALA A 15 -73.161 4.350 11.440 1.00 60.12 C ATOM 0 H ALA A 15 -74.891 5.655 9.197 1.00 11.21 H new ATOM 0 HA ALA A 15 -73.389 6.480 11.497 1.00 34.22 H new ATOM 0 HB1 ALA A 15 -72.140 4.366 11.821 1.00 60.12 H new ATOM 0 HB2 ALA A 15 -73.855 4.197 12.267 1.00 60.12 H new ATOM 0 HB3 ALA A 15 -73.267 3.537 10.722 1.00 60.12 H new ATOM 186 N ASN A 16 -72.227 7.282 9.359 1.00 21.01 N ATOM 187 CA ASN A 16 -71.187 7.723 8.416 1.00 14.45 C ATOM 188 C ASN A 16 -69.818 7.665 9.112 1.00 52.35 C ATOM 189 O ASN A 16 -69.357 8.649 9.708 1.00 13.03 O ATOM 190 CB ASN A 16 -71.483 9.154 7.873 1.00 32.15 C ATOM 191 CG ASN A 16 -70.437 9.628 6.844 1.00 43.24 C ATOM 192 OD1 ASN A 16 -70.576 9.397 5.642 1.00 2.32 O ATOM 193 ND2 ASN A 16 -69.378 10.282 7.311 1.00 61.32 N ATOM 0 H ASN A 16 -72.748 8.047 9.788 1.00 21.01 H new ATOM 0 HA ASN A 16 -71.180 7.053 7.556 1.00 14.45 H new ATOM 0 HB2 ASN A 16 -72.471 9.166 7.413 1.00 32.15 H new ATOM 0 HB3 ASN A 16 -71.511 9.856 8.706 1.00 32.15 H new ATOM 0 HD21 ASN A 16 -68.655 10.606 6.669 1.00 61.32 H new ATOM 0 HD22 ASN A 16 -69.289 10.460 8.311 1.00 61.32 H new ATOM 200 N THR A 17 -69.225 6.469 9.116 1.00 4.11 N ATOM 201 CA THR A 17 -67.863 6.251 9.601 1.00 73.42 C ATOM 202 C THR A 17 -66.888 6.401 8.419 1.00 64.34 C ATOM 203 O THR A 17 -66.564 5.432 7.719 1.00 20.15 O ATOM 204 CB THR A 17 -67.724 4.857 10.311 1.00 73.31 C ATOM 205 OG1 THR A 17 -68.284 3.828 9.480 1.00 3.11 O ATOM 206 CG2 THR A 17 -68.421 4.840 11.681 1.00 72.24 C ATOM 0 H THR A 17 -69.680 5.620 8.780 1.00 4.11 H new ATOM 0 HA THR A 17 -67.618 6.998 10.356 1.00 73.42 H new ATOM 0 HB THR A 17 -66.661 4.674 10.470 1.00 73.31 H new ATOM 0 HG1 THR A 17 -67.953 3.931 8.563 1.00 3.11 H new ATOM 0 HG21 THR A 17 -68.301 3.858 12.138 1.00 72.24 H new ATOM 0 HG22 THR A 17 -67.975 5.597 12.326 1.00 72.24 H new ATOM 0 HG23 THR A 17 -69.482 5.053 11.552 1.00 72.24 H new ATOM 214 N ARG A 18 -66.510 7.660 8.156 1.00 71.23 N ATOM 215 CA ARG A 18 -65.532 8.029 7.124 1.00 44.04 C ATOM 216 C ARG A 18 -64.217 8.418 7.822 1.00 54.01 C ATOM 217 O ARG A 18 -64.078 9.535 8.334 1.00 22.33 O ATOM 218 CB ARG A 18 -66.096 9.191 6.256 1.00 64.22 C ATOM 219 CG ARG A 18 -65.136 9.716 5.162 1.00 4.10 C ATOM 220 CD ARG A 18 -65.754 10.847 4.325 1.00 31.31 C ATOM 221 NE ARG A 18 -64.792 11.424 3.364 1.00 13.00 N ATOM 222 CZ ARG A 18 -65.113 12.161 2.288 1.00 11.54 C ATOM 223 NH1 ARG A 18 -66.384 12.431 1.995 1.00 12.33 N ATOM 224 NH2 ARG A 18 -64.152 12.634 1.509 1.00 23.05 N ATOM 0 H ARG A 18 -66.882 8.463 8.663 1.00 71.23 H new ATOM 0 HA ARG A 18 -65.338 7.191 6.454 1.00 44.04 H new ATOM 0 HB2 ARG A 18 -67.017 8.854 5.779 1.00 64.22 H new ATOM 0 HB3 ARG A 18 -66.362 10.019 6.913 1.00 64.22 H new ATOM 0 HG2 ARG A 18 -64.219 10.075 5.630 1.00 4.10 H new ATOM 0 HG3 ARG A 18 -64.857 8.893 4.504 1.00 4.10 H new ATOM 0 HD2 ARG A 18 -66.619 10.464 3.784 1.00 31.31 H new ATOM 0 HD3 ARG A 18 -66.115 11.632 4.989 1.00 31.31 H new ATOM 0 HE ARG A 18 -63.801 11.248 3.532 1.00 13.00 H new ATOM 0 HH11 ARG A 18 -67.131 12.076 2.592 1.00 12.33 H new ATOM 0 HH12 ARG A 18 -66.610 12.992 1.174 1.00 12.33 H new ATOM 0 HH21 ARG A 18 -63.175 12.438 1.728 1.00 23.05 H new ATOM 0 HH22 ARG A 18 -64.389 13.194 0.690 1.00 23.05 H new ATOM 238 N GLY A 19 -63.289 7.452 7.890 1.00 52.03 N ATOM 239 CA GLY A 19 -61.971 7.657 8.498 1.00 45.00 C ATOM 240 C GLY A 19 -60.964 6.640 7.997 1.00 11.32 C ATOM 241 O GLY A 19 -60.204 6.059 8.780 1.00 64.30 O ATOM 0 H GLY A 19 -63.433 6.510 7.526 1.00 52.03 H new ATOM 0 HA2 GLY A 19 -61.617 8.663 8.272 1.00 45.00 H new ATOM 0 HA3 GLY A 19 -62.054 7.585 9.582 1.00 45.00 H new ATOM 245 N ALA A 20 -60.959 6.436 6.670 1.00 73.02 N ATOM 246 CA ALA A 20 -60.100 5.442 5.996 1.00 71.25 C ATOM 247 C ALA A 20 -58.619 5.895 5.928 1.00 40.11 C ATOM 248 O ALA A 20 -57.745 5.090 5.585 1.00 21.32 O ATOM 249 CB ALA A 20 -60.650 5.161 4.584 1.00 70.33 C ATOM 0 H ALA A 20 -61.554 6.959 6.028 1.00 73.02 H new ATOM 0 HA ALA A 20 -60.120 4.525 6.585 1.00 71.25 H new ATOM 0 HB1 ALA A 20 -60.016 4.427 4.086 1.00 70.33 H new ATOM 0 HB2 ALA A 20 -61.665 4.772 4.660 1.00 70.33 H new ATOM 0 HB3 ALA A 20 -60.658 6.085 4.006 1.00 70.33 H new ATOM 255 N SER A 21 -58.350 7.176 6.266 1.00 55.40 N ATOM 256 CA SER A 21 -57.004 7.794 6.177 1.00 53.10 C ATOM 257 C SER A 21 -55.941 7.094 7.065 1.00 73.12 C ATOM 258 O SER A 21 -54.736 7.150 6.758 1.00 62.13 O ATOM 259 CB SER A 21 -57.115 9.297 6.534 1.00 63.42 C ATOM 260 OG SER A 21 -57.805 9.481 7.761 1.00 71.43 O ATOM 0 H SER A 21 -59.065 7.816 6.611 1.00 55.40 H new ATOM 0 HA SER A 21 -56.655 7.672 5.152 1.00 53.10 H new ATOM 0 HB2 SER A 21 -56.118 9.732 6.605 1.00 63.42 H new ATOM 0 HB3 SER A 21 -57.637 9.826 5.737 1.00 63.42 H new ATOM 0 HG SER A 21 -57.860 10.438 7.965 1.00 71.43 H new ATOM 266 N GLN A 22 -56.390 6.444 8.159 1.00 40.33 N ATOM 267 CA GLN A 22 -55.498 5.724 9.089 1.00 21.13 C ATOM 268 C GLN A 22 -54.951 4.434 8.431 1.00 65.45 C ATOM 269 O GLN A 22 -55.666 3.434 8.299 1.00 55.23 O ATOM 270 CB GLN A 22 -56.245 5.379 10.404 1.00 41.23 C ATOM 271 CG GLN A 22 -55.358 4.733 11.495 1.00 3.43 C ATOM 272 CD GLN A 22 -56.160 4.039 12.595 1.00 41.34 C ATOM 273 OE1 GLN A 22 -56.478 2.854 12.488 1.00 23.34 O ATOM 274 NE2 GLN A 22 -56.497 4.756 13.655 1.00 15.13 N ATOM 0 H GLN A 22 -57.375 6.404 8.421 1.00 40.33 H new ATOM 0 HA GLN A 22 -54.657 6.376 9.327 1.00 21.13 H new ATOM 0 HB2 GLN A 22 -56.687 6.291 10.806 1.00 41.23 H new ATOM 0 HB3 GLN A 22 -57.067 4.701 10.173 1.00 41.23 H new ATOM 0 HG2 GLN A 22 -54.691 4.008 11.029 1.00 3.43 H new ATOM 0 HG3 GLN A 22 -54.729 5.502 11.944 1.00 3.43 H new ATOM 0 HE21 GLN A 22 -56.220 5.736 13.717 1.00 15.13 H new ATOM 0 HE22 GLN A 22 -57.034 4.329 14.410 1.00 15.13 H new ATOM 283 N LYS A 23 -53.692 4.489 7.985 1.00 3.12 N ATOM 284 CA LYS A 23 -52.966 3.321 7.448 1.00 70.11 C ATOM 285 C LYS A 23 -51.524 3.327 7.996 1.00 13.12 C ATOM 286 O LYS A 23 -50.587 2.835 7.357 1.00 43.24 O ATOM 287 CB LYS A 23 -53.006 3.320 5.887 1.00 0.32 C ATOM 288 CG LYS A 23 -52.322 4.530 5.212 1.00 31.43 C ATOM 289 CD LYS A 23 -52.309 4.419 3.671 1.00 62.35 C ATOM 290 CE LYS A 23 -51.486 5.536 3.006 1.00 33.33 C ATOM 291 NZ LYS A 23 -50.051 5.486 3.400 1.00 3.20 N ATOM 0 H LYS A 23 -53.140 5.347 7.984 1.00 3.12 H new ATOM 0 HA LYS A 23 -53.450 2.400 7.773 1.00 70.11 H new ATOM 0 HB2 LYS A 23 -52.531 2.407 5.528 1.00 0.32 H new ATOM 0 HB3 LYS A 23 -54.047 3.285 5.566 1.00 0.32 H new ATOM 0 HG2 LYS A 23 -52.839 5.444 5.503 1.00 31.43 H new ATOM 0 HG3 LYS A 23 -51.298 4.614 5.576 1.00 31.43 H new ATOM 0 HD2 LYS A 23 -51.900 3.451 3.383 1.00 62.35 H new ATOM 0 HD3 LYS A 23 -53.333 4.456 3.299 1.00 62.35 H new ATOM 0 HE2 LYS A 23 -51.567 5.449 1.922 1.00 33.33 H new ATOM 0 HE3 LYS A 23 -51.903 6.505 3.280 1.00 33.33 H new ATOM 0 HZ1 LYS A 23 -49.497 6.103 2.772 1.00 3.20 H new ATOM 0 HZ2 LYS A 23 -49.949 5.811 4.383 1.00 3.20 H new ATOM 0 HZ3 LYS A 23 -49.703 4.509 3.320 1.00 3.20 H new ATOM 305 N LYS A 24 -51.384 3.869 9.226 1.00 74.45 N ATOM 306 CA LYS A 24 -50.095 3.991 9.924 1.00 4.31 C ATOM 307 C LYS A 24 -49.659 2.615 10.480 1.00 35.42 C ATOM 308 O LYS A 24 -50.497 1.840 10.970 1.00 72.21 O ATOM 309 CB LYS A 24 -50.216 5.019 11.088 1.00 75.55 C ATOM 310 CG LYS A 24 -48.877 5.326 11.806 1.00 61.13 C ATOM 311 CD LYS A 24 -49.058 6.036 13.172 1.00 60.45 C ATOM 312 CE LYS A 24 -47.710 6.304 13.866 1.00 63.04 C ATOM 313 NZ LYS A 24 -47.865 6.826 15.249 1.00 60.34 N ATOM 0 H LYS A 24 -52.171 4.235 9.762 1.00 74.45 H new ATOM 0 HA LYS A 24 -49.343 4.341 9.217 1.00 4.31 H new ATOM 0 HB2 LYS A 24 -50.626 5.949 10.695 1.00 75.55 H new ATOM 0 HB3 LYS A 24 -50.929 4.640 11.820 1.00 75.55 H new ATOM 0 HG2 LYS A 24 -48.334 4.394 11.959 1.00 61.13 H new ATOM 0 HG3 LYS A 24 -48.262 5.951 11.159 1.00 61.13 H new ATOM 0 HD2 LYS A 24 -49.583 6.980 13.023 1.00 60.45 H new ATOM 0 HD3 LYS A 24 -49.683 5.422 13.820 1.00 60.45 H new ATOM 0 HE2 LYS A 24 -47.132 5.380 13.894 1.00 63.04 H new ATOM 0 HE3 LYS A 24 -47.139 7.020 13.275 1.00 63.04 H new ATOM 0 HZ1 LYS A 24 -46.926 6.988 15.666 1.00 60.34 H new ATOM 0 HZ2 LYS A 24 -48.392 7.722 15.225 1.00 60.34 H new ATOM 0 HZ3 LYS A 24 -48.385 6.134 15.825 1.00 60.34 H new ATOM 327 N GLY A 25 -48.347 2.322 10.404 1.00 2.32 N ATOM 328 CA GLY A 25 -47.768 1.094 10.967 1.00 0.04 C ATOM 329 C GLY A 25 -46.632 0.552 10.117 1.00 33.22 C ATOM 330 O GLY A 25 -46.468 -0.670 9.981 1.00 40.05 O ATOM 0 H GLY A 25 -47.663 2.929 9.952 1.00 2.32 H new ATOM 0 HA2 GLY A 25 -47.402 1.296 11.974 1.00 0.04 H new ATOM 0 HA3 GLY A 25 -48.546 0.336 11.057 1.00 0.04 H new ATOM 334 N GLY A 26 -45.831 1.472 9.564 1.00 33.41 N ATOM 335 CA GLY A 26 -44.710 1.130 8.695 1.00 35.32 C ATOM 336 C GLY A 26 -43.741 2.295 8.572 1.00 54.53 C ATOM 337 O GLY A 26 -43.728 2.996 7.554 1.00 0.12 O ATOM 0 H GLY A 26 -45.947 2.475 9.710 1.00 33.41 H new ATOM 0 HA2 GLY A 26 -44.189 0.259 9.093 1.00 35.32 H new ATOM 0 HA3 GLY A 26 -45.081 0.855 7.708 1.00 35.32 H new ATOM 341 N GLU A 27 -42.947 2.511 9.634 1.00 72.33 N ATOM 342 CA GLU A 27 -41.966 3.616 9.712 1.00 33.04 C ATOM 343 C GLU A 27 -40.754 3.329 8.784 1.00 53.34 C ATOM 344 O GLU A 27 -40.243 2.199 8.794 1.00 4.42 O ATOM 345 CB GLU A 27 -41.501 3.804 11.183 1.00 14.34 C ATOM 346 CG GLU A 27 -42.651 4.053 12.183 1.00 72.32 C ATOM 347 CD GLU A 27 -42.178 4.137 13.643 1.00 70.14 C ATOM 348 OE1 GLU A 27 -41.909 3.080 14.251 1.00 64.34 O ATOM 349 OE2 GLU A 27 -42.072 5.251 14.197 1.00 24.51 O ATOM 0 H GLU A 27 -42.965 1.924 10.468 1.00 72.33 H new ATOM 0 HA GLU A 27 -42.440 4.538 9.375 1.00 33.04 H new ATOM 0 HB2 GLU A 27 -40.950 2.917 11.494 1.00 14.34 H new ATOM 0 HB3 GLU A 27 -40.807 4.643 11.228 1.00 14.34 H new ATOM 0 HG2 GLU A 27 -43.159 4.981 11.919 1.00 72.32 H new ATOM 0 HG3 GLU A 27 -43.384 3.251 12.091 1.00 72.32 H new ATOM 356 N PRO A 28 -40.293 4.333 7.957 1.00 65.43 N ATOM 357 CA PRO A 28 -39.144 4.143 7.029 1.00 2.21 C ATOM 358 C PRO A 28 -37.805 3.927 7.794 1.00 64.13 C ATOM 359 O PRO A 28 -37.425 4.785 8.604 1.00 53.34 O ATOM 360 CB PRO A 28 -39.140 5.453 6.186 1.00 5.03 C ATOM 361 CG PRO A 28 -39.815 6.480 7.054 1.00 61.12 C ATOM 362 CD PRO A 28 -40.857 5.718 7.859 1.00 50.10 C ATOM 0 HA PRO A 28 -39.242 3.250 6.412 1.00 2.21 H new ATOM 0 HB2 PRO A 28 -38.124 5.756 5.934 1.00 5.03 H new ATOM 0 HB3 PRO A 28 -39.675 5.318 5.246 1.00 5.03 H new ATOM 0 HG2 PRO A 28 -39.096 6.972 7.710 1.00 61.12 H new ATOM 0 HG3 PRO A 28 -40.280 7.259 6.450 1.00 61.12 H new ATOM 0 HD2 PRO A 28 -41.003 6.161 8.844 1.00 50.10 H new ATOM 0 HD3 PRO A 28 -41.827 5.720 7.361 1.00 50.10 H new ATOM 370 N PRO A 29 -37.093 2.756 7.583 1.00 73.23 N ATOM 371 CA PRO A 29 -35.789 2.474 8.235 1.00 41.00 C ATOM 372 C PRO A 29 -34.688 3.474 7.814 1.00 15.23 C ATOM 373 O PRO A 29 -34.007 3.287 6.798 1.00 13.13 O ATOM 374 CB PRO A 29 -35.466 1.010 7.795 1.00 31.41 C ATOM 375 CG PRO A 29 -36.261 0.802 6.537 1.00 1.24 C ATOM 376 CD PRO A 29 -37.530 1.608 6.732 1.00 1.20 C ATOM 0 HA PRO A 29 -35.834 2.583 9.319 1.00 41.00 H new ATOM 0 HB2 PRO A 29 -34.399 0.878 7.615 1.00 31.41 H new ATOM 0 HB3 PRO A 29 -35.751 0.294 8.566 1.00 31.41 H new ATOM 0 HG2 PRO A 29 -35.709 1.143 5.661 1.00 1.24 H new ATOM 0 HG3 PRO A 29 -36.485 -0.254 6.382 1.00 1.24 H new ATOM 0 HD2 PRO A 29 -37.939 1.948 5.780 1.00 1.20 H new ATOM 0 HD3 PRO A 29 -38.307 1.020 7.221 1.00 1.20 H new ATOM 384 N ALA A 30 -34.570 4.566 8.585 1.00 11.33 N ATOM 385 CA ALA A 30 -33.523 5.581 8.406 1.00 62.43 C ATOM 386 C ALA A 30 -32.169 5.015 8.865 1.00 2.21 C ATOM 387 O ALA A 30 -32.071 4.470 9.977 1.00 40.14 O ATOM 388 CB ALA A 30 -33.886 6.859 9.187 1.00 71.23 C ATOM 0 H ALA A 30 -35.205 4.770 9.357 1.00 11.33 H new ATOM 0 HA ALA A 30 -33.446 5.842 7.351 1.00 62.43 H new ATOM 0 HB1 ALA A 30 -33.104 7.605 9.048 1.00 71.23 H new ATOM 0 HB2 ALA A 30 -34.833 7.254 8.819 1.00 71.23 H new ATOM 0 HB3 ALA A 30 -33.978 6.624 10.247 1.00 71.23 H new ATOM 394 N LEU A 31 -31.149 5.105 7.997 1.00 12.00 N ATOM 395 CA LEU A 31 -29.789 4.628 8.294 1.00 71.43 C ATOM 396 C LEU A 31 -28.737 5.403 7.491 1.00 25.54 C ATOM 397 O LEU A 31 -29.049 6.025 6.465 1.00 64.21 O ATOM 398 CB LEU A 31 -29.674 3.076 8.066 1.00 21.21 C ATOM 399 CG LEU A 31 -30.224 2.467 6.712 1.00 44.24 C ATOM 400 CD1 LEU A 31 -29.324 2.782 5.490 1.00 2.31 C ATOM 401 CD2 LEU A 31 -30.445 0.940 6.847 1.00 64.22 C ATOM 0 H LEU A 31 -31.245 5.512 7.067 1.00 12.00 H new ATOM 0 HA LEU A 31 -29.589 4.819 9.348 1.00 71.43 H new ATOM 0 HB2 LEU A 31 -28.621 2.807 8.147 1.00 21.21 H new ATOM 0 HB3 LEU A 31 -30.193 2.581 8.887 1.00 21.21 H new ATOM 0 HG LEU A 31 -31.182 2.952 6.524 1.00 44.24 H new ATOM 0 HD11 LEU A 31 -29.757 2.336 4.595 1.00 2.31 H new ATOM 0 HD12 LEU A 31 -29.252 3.862 5.360 1.00 2.31 H new ATOM 0 HD13 LEU A 31 -28.329 2.370 5.655 1.00 2.31 H new ATOM 0 HD21 LEU A 31 -30.823 0.542 5.905 1.00 64.22 H new ATOM 0 HD22 LEU A 31 -29.500 0.456 7.092 1.00 64.22 H new ATOM 0 HD23 LEU A 31 -31.168 0.746 7.639 1.00 64.22 H new ATOM 413 N ILE A 32 -27.496 5.360 7.980 1.00 61.24 N ATOM 414 CA ILE A 32 -26.309 5.927 7.314 1.00 1.14 C ATOM 415 C ILE A 32 -25.199 4.870 7.311 1.00 34.42 C ATOM 416 O ILE A 32 -25.244 3.920 8.108 1.00 35.44 O ATOM 417 CB ILE A 32 -25.837 7.286 8.005 1.00 33.41 C ATOM 418 CG1 ILE A 32 -25.717 7.176 9.585 1.00 4.11 C ATOM 419 CG2 ILE A 32 -26.794 8.438 7.615 1.00 25.04 C ATOM 420 CD1 ILE A 32 -24.465 6.485 10.121 1.00 35.22 C ATOM 0 H ILE A 32 -27.277 4.919 8.874 1.00 61.24 H new ATOM 0 HA ILE A 32 -26.559 6.186 6.285 1.00 1.14 H new ATOM 0 HB ILE A 32 -24.834 7.497 7.634 1.00 33.41 H new ATOM 0 HG12 ILE A 32 -25.758 8.182 10.002 1.00 4.11 H new ATOM 0 HG13 ILE A 32 -26.590 6.640 9.958 1.00 4.11 H new ATOM 0 HG21 ILE A 32 -26.465 9.362 8.091 1.00 25.04 H new ATOM 0 HG22 ILE A 32 -26.788 8.565 6.532 1.00 25.04 H new ATOM 0 HG23 ILE A 32 -27.805 8.200 7.947 1.00 25.04 H new ATOM 0 HD11 ILE A 32 -24.496 6.470 11.210 1.00 35.22 H new ATOM 0 HD12 ILE A 32 -24.425 5.463 9.745 1.00 35.22 H new ATOM 0 HD13 ILE A 32 -23.580 7.028 9.790 1.00 35.22 H new ATOM 432 N VAL A 33 -24.226 5.011 6.401 1.00 22.31 N ATOM 433 CA VAL A 33 -23.052 4.119 6.331 1.00 31.03 C ATOM 434 C VAL A 33 -21.797 4.997 6.209 1.00 51.43 C ATOM 435 O VAL A 33 -21.528 5.568 5.142 1.00 52.11 O ATOM 436 CB VAL A 33 -23.130 3.111 5.118 1.00 14.32 C ATOM 437 CG1 VAL A 33 -21.916 2.144 5.095 1.00 2.23 C ATOM 438 CG2 VAL A 33 -24.458 2.313 5.123 1.00 72.53 C ATOM 0 H VAL A 33 -24.227 5.744 5.692 1.00 22.31 H new ATOM 0 HA VAL A 33 -23.020 3.512 7.235 1.00 31.03 H new ATOM 0 HB VAL A 33 -23.099 3.711 4.209 1.00 14.32 H new ATOM 0 HG11 VAL A 33 -22.007 1.466 4.246 1.00 2.23 H new ATOM 0 HG12 VAL A 33 -20.995 2.719 5.004 1.00 2.23 H new ATOM 0 HG13 VAL A 33 -21.893 1.567 6.019 1.00 2.23 H new ATOM 0 HG21 VAL A 33 -24.475 1.630 4.274 1.00 72.53 H new ATOM 0 HG22 VAL A 33 -24.537 1.743 6.049 1.00 72.53 H new ATOM 0 HG23 VAL A 33 -25.298 3.004 5.050 1.00 72.53 H new ATOM 448 N ASP A 34 -21.061 5.125 7.325 1.00 34.00 N ATOM 449 CA ASP A 34 -19.856 5.972 7.422 1.00 13.34 C ATOM 450 C ASP A 34 -18.640 5.158 7.897 1.00 2.22 C ATOM 451 O ASP A 34 -18.584 4.758 9.061 1.00 62.02 O ATOM 452 CB ASP A 34 -20.092 7.172 8.390 1.00 50.11 C ATOM 453 CG ASP A 34 -21.024 8.244 7.810 1.00 43.10 C ATOM 454 OD1 ASP A 34 -22.259 8.127 7.961 1.00 52.43 O ATOM 455 OD2 ASP A 34 -20.526 9.196 7.171 1.00 2.15 O ATOM 0 H ASP A 34 -21.286 4.640 8.194 1.00 34.00 H new ATOM 0 HA ASP A 34 -19.651 6.358 6.423 1.00 13.34 H new ATOM 0 HB2 ASP A 34 -20.514 6.800 9.323 1.00 50.11 H new ATOM 0 HB3 ASP A 34 -19.132 7.628 8.634 1.00 50.11 H new ATOM 460 N PRO A 35 -17.652 4.869 6.993 1.00 0.21 N ATOM 461 CA PRO A 35 -16.287 4.440 7.406 1.00 15.01 C ATOM 462 C PRO A 35 -15.436 5.629 7.926 1.00 32.25 C ATOM 463 O PRO A 35 -14.291 5.428 8.337 1.00 5.23 O ATOM 464 CB PRO A 35 -15.708 3.827 6.109 1.00 54.13 C ATOM 465 CG PRO A 35 -16.400 4.573 5.004 1.00 1.51 C ATOM 466 CD PRO A 35 -17.805 4.862 5.508 1.00 53.53 C ATOM 0 HA PRO A 35 -16.293 3.738 8.239 1.00 15.01 H new ATOM 0 HB2 PRO A 35 -14.627 3.953 6.058 1.00 54.13 H new ATOM 0 HB3 PRO A 35 -15.907 2.757 6.052 1.00 54.13 H new ATOM 0 HG2 PRO A 35 -15.873 5.497 4.768 1.00 1.51 H new ATOM 0 HG3 PRO A 35 -16.428 3.979 4.090 1.00 1.51 H new ATOM 0 HD2 PRO A 35 -18.174 5.819 5.139 1.00 53.53 H new ATOM 0 HD3 PRO A 35 -18.513 4.100 5.182 1.00 53.53 H new ATOM 474 N LEU A 36 -16.026 6.853 7.867 1.00 41.53 N ATOM 475 CA LEU A 36 -15.468 8.113 8.409 1.00 75.13 C ATOM 476 C LEU A 36 -14.282 8.567 7.546 1.00 41.02 C ATOM 477 O LEU A 36 -14.429 9.462 6.702 1.00 65.11 O ATOM 478 CB LEU A 36 -15.117 7.978 9.939 1.00 34.30 C ATOM 479 CG LEU A 36 -14.936 9.305 10.784 1.00 52.32 C ATOM 480 CD1 LEU A 36 -14.966 9.001 12.301 1.00 30.32 C ATOM 481 CD2 LEU A 36 -13.638 10.078 10.430 1.00 44.44 C ATOM 0 H LEU A 36 -16.935 6.990 7.424 1.00 41.53 H new ATOM 0 HA LEU A 36 -16.224 8.896 8.356 1.00 75.13 H new ATOM 0 HB2 LEU A 36 -15.903 7.388 10.410 1.00 34.30 H new ATOM 0 HB3 LEU A 36 -14.194 7.403 10.020 1.00 34.30 H new ATOM 0 HG LEU A 36 -15.777 9.947 10.522 1.00 52.32 H new ATOM 0 HD11 LEU A 36 -14.840 9.928 12.860 1.00 30.32 H new ATOM 0 HD12 LEU A 36 -15.922 8.547 12.562 1.00 30.32 H new ATOM 0 HD13 LEU A 36 -14.158 8.314 12.550 1.00 30.32 H new ATOM 0 HD21 LEU A 36 -13.572 10.977 11.042 1.00 44.44 H new ATOM 0 HD22 LEU A 36 -12.773 9.443 10.622 1.00 44.44 H new ATOM 0 HD23 LEU A 36 -13.657 10.357 9.377 1.00 44.44 H new ATOM 493 N MET A 37 -13.118 7.924 7.763 1.00 14.05 N ATOM 494 CA MET A 37 -11.856 8.232 7.061 1.00 24.55 C ATOM 495 C MET A 37 -11.985 7.953 5.556 1.00 32.35 C ATOM 496 O MET A 37 -11.474 8.728 4.736 1.00 5.44 O ATOM 497 CB MET A 37 -10.692 7.400 7.671 1.00 35.54 C ATOM 498 CG MET A 37 -10.426 7.676 9.156 1.00 74.11 C ATOM 499 SD MET A 37 -9.106 6.635 9.816 1.00 20.54 S ATOM 500 CE MET A 37 -9.069 7.133 11.537 1.00 42.32 C ATOM 0 H MET A 37 -13.026 7.166 8.440 1.00 14.05 H new ATOM 0 HA MET A 37 -11.638 9.292 7.190 1.00 24.55 H new ATOM 0 HB2 MET A 37 -10.914 6.340 7.545 1.00 35.54 H new ATOM 0 HB3 MET A 37 -9.782 7.604 7.107 1.00 35.54 H new ATOM 0 HG2 MET A 37 -10.160 8.725 9.287 1.00 74.11 H new ATOM 0 HG3 MET A 37 -11.340 7.506 9.725 1.00 74.11 H new ATOM 0 HE1 MET A 37 -8.299 6.569 12.063 1.00 42.32 H new ATOM 0 HE2 MET A 37 -8.847 8.198 11.603 1.00 42.32 H new ATOM 0 HE3 MET A 37 -10.039 6.935 11.994 1.00 42.32 H new ATOM 510 N LYS A 38 -12.691 6.844 5.232 1.00 25.33 N ATOM 511 CA LYS A 38 -12.942 6.376 3.851 1.00 64.52 C ATOM 512 C LYS A 38 -11.618 6.242 3.066 1.00 34.20 C ATOM 513 O LYS A 38 -11.168 7.196 2.408 1.00 71.51 O ATOM 514 CB LYS A 38 -13.954 7.300 3.099 1.00 51.21 C ATOM 515 CG LYS A 38 -14.390 6.777 1.703 1.00 35.11 C ATOM 516 CD LYS A 38 -15.251 5.497 1.789 1.00 11.11 C ATOM 517 CE LYS A 38 -15.544 4.870 0.418 1.00 51.55 C ATOM 518 NZ LYS A 38 -14.305 4.379 -0.243 1.00 5.23 N ATOM 0 H LYS A 38 -13.110 6.239 5.938 1.00 25.33 H new ATOM 0 HA LYS A 38 -13.398 5.388 3.918 1.00 64.52 H new ATOM 0 HB2 LYS A 38 -14.842 7.426 3.719 1.00 51.21 H new ATOM 0 HB3 LYS A 38 -13.506 8.287 2.980 1.00 51.21 H new ATOM 0 HG2 LYS A 38 -14.953 7.555 1.188 1.00 35.11 H new ATOM 0 HG3 LYS A 38 -13.503 6.574 1.102 1.00 35.11 H new ATOM 0 HD2 LYS A 38 -14.740 4.765 2.414 1.00 11.11 H new ATOM 0 HD3 LYS A 38 -16.194 5.734 2.282 1.00 11.11 H new ATOM 0 HE2 LYS A 38 -16.243 4.043 0.539 1.00 51.55 H new ATOM 0 HE3 LYS A 38 -16.030 5.607 -0.222 1.00 51.55 H new ATOM 0 HZ1 LYS A 38 -14.555 3.695 -0.985 1.00 5.23 H new ATOM 0 HZ2 LYS A 38 -13.797 5.181 -0.668 1.00 5.23 H new ATOM 0 HZ3 LYS A 38 -13.695 3.918 0.462 1.00 5.23 H new ATOM 532 N TYR A 39 -11.000 5.062 3.158 1.00 71.01 N ATOM 533 CA TYR A 39 -9.677 4.797 2.592 1.00 53.31 C ATOM 534 C TYR A 39 -9.776 4.629 1.064 1.00 74.53 C ATOM 535 O TYR A 39 -10.073 3.544 0.561 1.00 20.21 O ATOM 536 CB TYR A 39 -9.056 3.542 3.250 1.00 44.14 C ATOM 537 CG TYR A 39 -8.793 3.689 4.755 1.00 33.10 C ATOM 538 CD1 TYR A 39 -7.619 4.292 5.217 1.00 12.12 C ATOM 539 CD2 TYR A 39 -9.709 3.225 5.710 1.00 22.24 C ATOM 540 CE1 TYR A 39 -7.364 4.424 6.563 1.00 42.34 C ATOM 541 CE2 TYR A 39 -9.451 3.353 7.061 1.00 13.40 C ATOM 542 CZ TYR A 39 -8.273 3.957 7.478 1.00 34.32 C ATOM 543 OH TYR A 39 -8.000 4.081 8.817 1.00 30.33 O ATOM 0 H TYR A 39 -11.409 4.257 3.632 1.00 71.01 H new ATOM 0 HA TYR A 39 -9.026 5.646 2.799 1.00 53.31 H new ATOM 0 HB2 TYR A 39 -9.721 2.694 3.089 1.00 44.14 H new ATOM 0 HB3 TYR A 39 -8.116 3.309 2.749 1.00 44.14 H new ATOM 0 HD1 TYR A 39 -6.898 4.662 4.503 1.00 12.12 H new ATOM 0 HD2 TYR A 39 -10.629 2.761 5.385 1.00 22.24 H new ATOM 0 HE1 TYR A 39 -6.451 4.894 6.898 1.00 42.34 H new ATOM 0 HE2 TYR A 39 -10.161 2.986 7.787 1.00 13.40 H new ATOM 0 HH TYR A 39 -8.004 5.029 9.065 1.00 30.33 H new ATOM 553 N ILE A 40 -9.571 5.737 0.344 1.00 11.11 N ATOM 554 CA ILE A 40 -9.559 5.750 -1.123 1.00 10.21 C ATOM 555 C ILE A 40 -8.119 5.502 -1.594 1.00 71.33 C ATOM 556 O ILE A 40 -7.247 6.351 -1.372 1.00 41.45 O ATOM 557 CB ILE A 40 -10.082 7.121 -1.703 1.00 25.23 C ATOM 558 CG1 ILE A 40 -11.480 7.481 -1.110 1.00 62.13 C ATOM 559 CG2 ILE A 40 -10.134 7.081 -3.255 1.00 21.52 C ATOM 560 CD1 ILE A 40 -12.021 8.843 -1.527 1.00 2.31 C ATOM 0 H ILE A 40 -9.408 6.653 0.763 1.00 11.11 H new ATOM 0 HA ILE A 40 -10.227 4.970 -1.487 1.00 10.21 H new ATOM 0 HB ILE A 40 -9.380 7.901 -1.408 1.00 25.23 H new ATOM 0 HG12 ILE A 40 -12.194 6.715 -1.411 1.00 62.13 H new ATOM 0 HG13 ILE A 40 -11.417 7.449 -0.022 1.00 62.13 H new ATOM 0 HG21 ILE A 40 -10.498 8.037 -3.632 1.00 21.52 H new ATOM 0 HG22 ILE A 40 -9.135 6.892 -3.648 1.00 21.52 H new ATOM 0 HG23 ILE A 40 -10.806 6.285 -3.576 1.00 21.52 H new ATOM 0 HD11 ILE A 40 -12.996 9.004 -1.066 1.00 2.31 H new ATOM 0 HD12 ILE A 40 -11.333 9.623 -1.202 1.00 2.31 H new ATOM 0 HD13 ILE A 40 -12.122 8.878 -2.612 1.00 2.31 H new ATOM 572 N CYS A 41 -7.877 4.324 -2.205 1.00 55.11 N ATOM 573 CA CYS A 41 -6.568 3.959 -2.772 1.00 74.14 C ATOM 574 C CYS A 41 -6.152 4.994 -3.825 1.00 62.43 C ATOM 575 O CYS A 41 -6.902 5.255 -4.760 1.00 11.41 O ATOM 576 CB CYS A 41 -6.640 2.550 -3.397 1.00 62.52 C ATOM 577 SG CYS A 41 -5.089 1.974 -4.165 1.00 13.23 S ATOM 0 H CYS A 41 -8.587 3.600 -2.318 1.00 55.11 H new ATOM 0 HA CYS A 41 -5.821 3.948 -1.978 1.00 74.14 H new ATOM 0 HB2 CYS A 41 -6.932 1.839 -2.624 1.00 62.52 H new ATOM 0 HB3 CYS A 41 -7.427 2.542 -4.151 1.00 62.52 H new ATOM 0 HG CYS A 41 -5.314 1.645 -5.403 1.00 13.23 H new ATOM 582 N HIS A 42 -4.967 5.587 -3.643 1.00 53.22 N ATOM 583 CA HIS A 42 -4.467 6.692 -4.485 1.00 55.32 C ATOM 584 C HIS A 42 -3.974 6.179 -5.861 1.00 73.20 C ATOM 585 O HIS A 42 -3.691 6.972 -6.765 1.00 60.11 O ATOM 586 CB HIS A 42 -3.358 7.458 -3.724 1.00 40.43 C ATOM 587 CG HIS A 42 -3.000 8.806 -4.314 1.00 41.23 C ATOM 588 ND1 HIS A 42 -1.710 9.269 -4.415 1.00 44.31 N ATOM 589 CD2 HIS A 42 -3.787 9.798 -4.811 1.00 44.13 C ATOM 590 CE1 HIS A 42 -1.710 10.471 -4.953 1.00 55.02 C ATOM 591 NE2 HIS A 42 -2.958 10.814 -5.198 1.00 64.30 N ATOM 0 H HIS A 42 -4.319 5.315 -2.903 1.00 53.22 H new ATOM 0 HA HIS A 42 -5.287 7.381 -4.690 1.00 55.32 H new ATOM 0 HB2 HIS A 42 -3.678 7.602 -2.692 1.00 40.43 H new ATOM 0 HB3 HIS A 42 -2.461 6.839 -3.697 1.00 40.43 H new ATOM 0 HD1 HIS A 42 -0.878 8.759 -4.118 1.00 44.31 H new ATOM 0 HD2 HIS A 42 -4.864 9.785 -4.886 1.00 44.13 H new ATOM 0 HE1 HIS A 42 -0.837 11.072 -5.158 1.00 55.02 H new ATOM 600 N ILE A 43 -3.910 4.848 -6.016 1.00 71.44 N ATOM 601 CA ILE A 43 -3.556 4.192 -7.283 1.00 42.32 C ATOM 602 C ILE A 43 -4.857 3.852 -8.059 1.00 4.23 C ATOM 603 O ILE A 43 -4.934 4.051 -9.283 1.00 53.43 O ATOM 604 CB ILE A 43 -2.697 2.897 -7.029 1.00 70.51 C ATOM 605 CG1 ILE A 43 -1.378 3.274 -6.272 1.00 13.32 C ATOM 606 CG2 ILE A 43 -2.385 2.152 -8.353 1.00 54.42 C ATOM 607 CD1 ILE A 43 -0.458 2.107 -5.939 1.00 60.31 C ATOM 0 H ILE A 43 -4.104 4.192 -5.259 1.00 71.44 H new ATOM 0 HA ILE A 43 -2.948 4.871 -7.880 1.00 42.32 H new ATOM 0 HB ILE A 43 -3.278 2.216 -6.407 1.00 70.51 H new ATOM 0 HG12 ILE A 43 -0.823 3.990 -6.879 1.00 13.32 H new ATOM 0 HG13 ILE A 43 -1.644 3.781 -5.344 1.00 13.32 H new ATOM 0 HG21 ILE A 43 -1.791 1.264 -8.139 1.00 54.42 H new ATOM 0 HG22 ILE A 43 -3.318 1.858 -8.833 1.00 54.42 H new ATOM 0 HG23 ILE A 43 -1.827 2.811 -9.018 1.00 54.42 H new ATOM 0 HD11 ILE A 43 0.424 2.477 -5.417 1.00 60.31 H new ATOM 0 HD12 ILE A 43 -0.986 1.398 -5.302 1.00 60.31 H new ATOM 0 HD13 ILE A 43 -0.153 1.610 -6.860 1.00 60.31 H new ATOM 619 N CYS A 44 -5.890 3.386 -7.311 1.00 72.13 N ATOM 620 CA CYS A 44 -7.178 2.929 -7.877 1.00 20.33 C ATOM 621 C CYS A 44 -8.158 4.092 -8.130 1.00 13.54 C ATOM 622 O CYS A 44 -8.963 4.031 -9.066 1.00 41.51 O ATOM 623 CB CYS A 44 -7.842 1.924 -6.909 1.00 51.05 C ATOM 624 SG CYS A 44 -6.774 0.539 -6.458 1.00 62.40 S ATOM 0 H CYS A 44 -5.849 3.318 -6.294 1.00 72.13 H new ATOM 0 HA CYS A 44 -6.957 2.460 -8.836 1.00 20.33 H new ATOM 0 HB2 CYS A 44 -8.143 2.450 -6.003 1.00 51.05 H new ATOM 0 HB3 CYS A 44 -8.751 1.536 -7.369 1.00 51.05 H new ATOM 0 HG CYS A 44 -6.454 0.629 -5.201 1.00 62.40 H new ATOM 629 N ASN A 45 -8.076 5.121 -7.257 1.00 51.24 N ATOM 630 CA ASN A 45 -9.106 6.177 -7.082 1.00 13.12 C ATOM 631 C ASN A 45 -10.450 5.580 -6.562 1.00 71.35 C ATOM 632 O ASN A 45 -11.480 6.259 -6.518 1.00 72.22 O ATOM 633 CB ASN A 45 -9.296 7.007 -8.394 1.00 20.02 C ATOM 634 CG ASN A 45 -10.193 8.252 -8.261 1.00 44.32 C ATOM 635 OD1 ASN A 45 -10.929 8.596 -9.185 1.00 0.04 O ATOM 636 ND2 ASN A 45 -10.120 8.958 -7.137 1.00 21.34 N ATOM 0 H ASN A 45 -7.274 5.246 -6.639 1.00 51.24 H new ATOM 0 HA ASN A 45 -8.751 6.868 -6.317 1.00 13.12 H new ATOM 0 HB2 ASN A 45 -8.315 7.322 -8.750 1.00 20.02 H new ATOM 0 HB3 ASN A 45 -9.718 6.355 -9.159 1.00 20.02 H new ATOM 0 HD21 ASN A 45 -10.681 9.803 -7.028 1.00 21.34 H new ATOM 0 HD22 ASN A 45 -9.503 8.655 -6.383 1.00 21.34 H new ATOM 643 N ARG A 46 -10.410 4.310 -6.094 1.00 52.15 N ATOM 644 CA ARG A 46 -11.599 3.568 -5.644 1.00 51.02 C ATOM 645 C ARG A 46 -11.532 3.377 -4.117 1.00 60.44 C ATOM 646 O ARG A 46 -12.231 4.059 -3.365 1.00 11.33 O ATOM 647 CB ARG A 46 -11.701 2.184 -6.358 1.00 12.01 C ATOM 648 CG ARG A 46 -11.655 2.219 -7.902 1.00 22.05 C ATOM 649 CD ARG A 46 -12.800 3.033 -8.523 1.00 71.21 C ATOM 650 NE ARG A 46 -12.784 2.948 -9.993 1.00 63.01 N ATOM 651 CZ ARG A 46 -13.779 3.342 -10.809 1.00 73.25 C ATOM 652 NH1 ARG A 46 -14.910 3.844 -10.315 1.00 74.04 N ATOM 653 NH2 ARG A 46 -13.641 3.203 -12.114 1.00 4.20 N ATOM 0 H ARG A 46 -9.545 3.774 -6.020 1.00 52.15 H new ATOM 0 HA ARG A 46 -12.489 4.142 -5.902 1.00 51.02 H new ATOM 0 HB2 ARG A 46 -10.886 1.552 -6.003 1.00 12.01 H new ATOM 0 HB3 ARG A 46 -12.632 1.706 -6.052 1.00 12.01 H new ATOM 0 HG2 ARG A 46 -10.702 2.642 -8.221 1.00 22.05 H new ATOM 0 HG3 ARG A 46 -11.695 1.199 -8.283 1.00 22.05 H new ATOM 0 HD2 ARG A 46 -13.755 2.667 -8.146 1.00 71.21 H new ATOM 0 HD3 ARG A 46 -12.715 4.076 -8.216 1.00 71.21 H new ATOM 0 HE ARG A 46 -11.949 2.558 -10.429 1.00 63.01 H new ATOM 0 HH11 ARG A 46 -15.030 3.934 -9.306 1.00 74.04 H new ATOM 0 HH12 ARG A 46 -15.656 4.139 -10.946 1.00 74.04 H new ATOM 0 HH21 ARG A 46 -12.786 2.800 -12.496 1.00 4.20 H new ATOM 0 HH22 ARG A 46 -14.390 3.499 -12.740 1.00 4.20 H new ATOM 667 N GLY A 47 -10.626 2.481 -3.670 1.00 55.42 N ATOM 668 CA GLY A 47 -10.604 2.017 -2.283 1.00 64.52 C ATOM 669 C GLY A 47 -11.461 0.779 -2.122 1.00 63.25 C ATOM 670 O GLY A 47 -12.259 0.684 -1.190 1.00 45.02 O ATOM 0 H GLY A 47 -9.902 2.069 -4.258 1.00 55.42 H new ATOM 0 HA2 GLY A 47 -9.579 1.798 -1.983 1.00 64.52 H new ATOM 0 HA3 GLY A 47 -10.967 2.806 -1.624 1.00 64.52 H new ATOM 674 N ASP A 48 -11.315 -0.134 -3.105 1.00 61.45 N ATOM 675 CA ASP A 48 -12.027 -1.433 -3.192 1.00 34.33 C ATOM 676 C ASP A 48 -12.048 -2.172 -1.841 1.00 12.22 C ATOM 677 O ASP A 48 -13.084 -2.230 -1.172 1.00 52.10 O ATOM 678 CB ASP A 48 -11.356 -2.332 -4.274 1.00 22.21 C ATOM 679 CG ASP A 48 -11.182 -1.628 -5.629 1.00 64.24 C ATOM 680 OD1 ASP A 48 -10.245 -0.804 -5.763 1.00 72.13 O ATOM 681 OD2 ASP A 48 -11.977 -1.871 -6.546 1.00 22.50 O ATOM 0 H ASP A 48 -10.678 0.015 -3.888 1.00 61.45 H new ATOM 0 HA ASP A 48 -13.060 -1.224 -3.470 1.00 34.33 H new ATOM 0 HB2 ASP A 48 -10.380 -2.655 -3.913 1.00 22.21 H new ATOM 0 HB3 ASP A 48 -11.958 -3.230 -4.414 1.00 22.21 H new ATOM 686 N VAL A 49 -10.883 -2.709 -1.430 1.00 3.34 N ATOM 687 CA VAL A 49 -10.749 -3.427 -0.148 1.00 2.25 C ATOM 688 C VAL A 49 -9.967 -2.541 0.839 1.00 10.22 C ATOM 689 O VAL A 49 -8.732 -2.558 0.872 1.00 13.13 O ATOM 690 CB VAL A 49 -10.063 -4.841 -0.318 1.00 22.34 C ATOM 691 CG1 VAL A 49 -10.153 -5.672 0.994 1.00 74.14 C ATOM 692 CG2 VAL A 49 -10.682 -5.612 -1.516 1.00 73.05 C ATOM 0 H VAL A 49 -10.019 -2.659 -1.969 1.00 3.34 H new ATOM 0 HA VAL A 49 -11.746 -3.623 0.245 1.00 2.25 H new ATOM 0 HB VAL A 49 -9.006 -4.680 -0.531 1.00 22.34 H new ATOM 0 HG11 VAL A 49 -9.673 -6.639 0.846 1.00 74.14 H new ATOM 0 HG12 VAL A 49 -9.650 -5.137 1.799 1.00 74.14 H new ATOM 0 HG13 VAL A 49 -11.200 -5.823 1.258 1.00 74.14 H new ATOM 0 HG21 VAL A 49 -10.195 -6.582 -1.615 1.00 73.05 H new ATOM 0 HG22 VAL A 49 -11.748 -5.757 -1.343 1.00 73.05 H new ATOM 0 HG23 VAL A 49 -10.537 -5.039 -2.432 1.00 73.05 H new ATOM 702 N GLU A 50 -10.715 -1.729 1.611 1.00 51.35 N ATOM 703 CA GLU A 50 -10.148 -0.818 2.631 1.00 74.15 C ATOM 704 C GLU A 50 -9.659 -1.611 3.853 1.00 60.12 C ATOM 705 O GLU A 50 -8.847 -1.116 4.645 1.00 72.13 O ATOM 706 CB GLU A 50 -11.198 0.233 3.054 1.00 64.02 C ATOM 707 CG GLU A 50 -11.804 1.020 1.880 1.00 63.50 C ATOM 708 CD GLU A 50 -12.853 2.053 2.307 1.00 54.35 C ATOM 709 OE1 GLU A 50 -13.754 1.703 3.088 1.00 21.42 O ATOM 710 OE2 GLU A 50 -12.791 3.210 1.870 1.00 11.13 O ATOM 0 H GLU A 50 -11.732 -1.684 1.547 1.00 51.35 H new ATOM 0 HA GLU A 50 -9.294 -0.300 2.195 1.00 74.15 H new ATOM 0 HB2 GLU A 50 -12.001 -0.268 3.595 1.00 64.02 H new ATOM 0 HB3 GLU A 50 -10.735 0.935 3.748 1.00 64.02 H new ATOM 0 HG2 GLU A 50 -11.003 1.529 1.343 1.00 63.50 H new ATOM 0 HG3 GLU A 50 -12.261 0.319 1.181 1.00 63.50 H new ATOM 717 N GLU A 51 -10.195 -2.829 4.011 1.00 54.12 N ATOM 718 CA GLU A 51 -9.759 -3.799 5.026 1.00 54.52 C ATOM 719 C GLU A 51 -8.292 -4.223 4.790 1.00 21.23 C ATOM 720 O GLU A 51 -7.539 -4.446 5.739 1.00 62.24 O ATOM 721 CB GLU A 51 -10.701 -5.020 4.961 1.00 32.13 C ATOM 722 CG GLU A 51 -10.430 -6.120 6.004 1.00 52.42 C ATOM 723 CD GLU A 51 -11.330 -7.349 5.807 1.00 40.43 C ATOM 724 OE1 GLU A 51 -11.033 -8.173 4.924 1.00 20.44 O ATOM 725 OE2 GLU A 51 -12.365 -7.466 6.492 1.00 61.51 O ATOM 0 H GLU A 51 -10.957 -3.174 3.427 1.00 54.12 H new ATOM 0 HA GLU A 51 -9.807 -3.345 6.016 1.00 54.52 H new ATOM 0 HB2 GLU A 51 -11.727 -4.673 5.082 1.00 32.13 H new ATOM 0 HB3 GLU A 51 -10.629 -5.460 3.967 1.00 32.13 H new ATOM 0 HG2 GLU A 51 -9.385 -6.425 5.943 1.00 52.42 H new ATOM 0 HG3 GLU A 51 -10.586 -5.715 7.004 1.00 52.42 H new ATOM 732 N SER A 52 -7.901 -4.308 3.510 1.00 2.21 N ATOM 733 CA SER A 52 -6.530 -4.662 3.092 1.00 0.11 C ATOM 734 C SER A 52 -5.758 -3.413 2.622 1.00 11.32 C ATOM 735 O SER A 52 -4.744 -3.525 1.912 1.00 51.14 O ATOM 736 CB SER A 52 -6.595 -5.721 1.972 1.00 72.21 C ATOM 737 OG SER A 52 -7.294 -6.876 2.410 1.00 74.14 O ATOM 0 H SER A 52 -8.530 -4.132 2.727 1.00 2.21 H new ATOM 0 HA SER A 52 -5.994 -5.077 3.945 1.00 0.11 H new ATOM 0 HB2 SER A 52 -7.090 -5.301 1.097 1.00 72.21 H new ATOM 0 HB3 SER A 52 -5.586 -5.996 1.666 1.00 72.21 H new ATOM 0 HG SER A 52 -7.325 -7.534 1.685 1.00 74.14 H new ATOM 743 N MET A 53 -6.241 -2.227 3.042 1.00 45.33 N ATOM 744 CA MET A 53 -5.605 -0.952 2.714 1.00 72.12 C ATOM 745 C MET A 53 -4.368 -0.746 3.590 1.00 42.54 C ATOM 746 O MET A 53 -4.442 -0.818 4.822 1.00 55.03 O ATOM 747 CB MET A 53 -6.570 0.238 2.926 1.00 1.43 C ATOM 748 CG MET A 53 -6.008 1.591 2.462 1.00 63.30 C ATOM 749 SD MET A 53 -5.864 1.685 0.665 1.00 75.35 S ATOM 750 CE MET A 53 -7.577 1.571 0.164 1.00 1.42 C ATOM 0 H MET A 53 -7.080 -2.134 3.615 1.00 45.33 H new ATOM 0 HA MET A 53 -5.323 -0.988 1.662 1.00 72.12 H new ATOM 0 HB2 MET A 53 -7.498 0.039 2.390 1.00 1.43 H new ATOM 0 HB3 MET A 53 -6.821 0.305 3.985 1.00 1.43 H new ATOM 0 HG2 MET A 53 -6.656 2.393 2.816 1.00 63.30 H new ATOM 0 HG3 MET A 53 -5.028 1.750 2.913 1.00 63.30 H new ATOM 0 HE1 MET A 53 -7.740 2.190 -0.718 1.00 1.42 H new ATOM 0 HE2 MET A 53 -7.819 0.534 -0.071 1.00 1.42 H new ATOM 0 HE3 MET A 53 -8.217 1.919 0.975 1.00 1.42 H new ATOM 760 N LEU A 54 -3.247 -0.513 2.930 1.00 53.40 N ATOM 761 CA LEU A 54 -2.019 -0.060 3.556 1.00 11.23 C ATOM 762 C LEU A 54 -2.035 1.474 3.595 1.00 73.52 C ATOM 763 O LEU A 54 -2.031 2.132 2.551 1.00 30.02 O ATOM 764 CB LEU A 54 -0.803 -0.559 2.753 1.00 32.42 C ATOM 765 CG LEU A 54 -0.658 -2.096 2.601 1.00 35.21 C ATOM 766 CD1 LEU A 54 0.593 -2.437 1.781 1.00 74.13 C ATOM 767 CD2 LEU A 54 -0.636 -2.796 3.976 1.00 33.34 C ATOM 0 H LEU A 54 -3.164 -0.637 1.921 1.00 53.40 H new ATOM 0 HA LEU A 54 -1.945 -0.457 4.569 1.00 11.23 H new ATOM 0 HB2 LEU A 54 -0.849 -0.120 1.756 1.00 32.42 H new ATOM 0 HB3 LEU A 54 0.100 -0.176 3.228 1.00 32.42 H new ATOM 0 HG LEU A 54 -1.530 -2.469 2.063 1.00 35.21 H new ATOM 0 HD11 LEU A 54 0.680 -3.519 1.684 1.00 74.13 H new ATOM 0 HD12 LEU A 54 0.512 -1.989 0.791 1.00 74.13 H new ATOM 0 HD13 LEU A 54 1.476 -2.046 2.285 1.00 74.13 H new ATOM 0 HD21 LEU A 54 -0.533 -3.872 3.835 1.00 33.34 H new ATOM 0 HD22 LEU A 54 0.206 -2.425 4.560 1.00 33.34 H new ATOM 0 HD23 LEU A 54 -1.565 -2.586 4.506 1.00 33.34 H new ATOM 779 N LEU A 55 -2.052 2.017 4.804 1.00 72.23 N ATOM 780 CA LEU A 55 -2.030 3.451 5.045 1.00 55.53 C ATOM 781 C LEU A 55 -0.577 3.805 5.398 1.00 51.30 C ATOM 782 O LEU A 55 -0.033 3.293 6.382 1.00 25.15 O ATOM 783 CB LEU A 55 -3.017 3.792 6.220 1.00 25.44 C ATOM 784 CG LEU A 55 -3.513 5.275 6.348 1.00 32.24 C ATOM 785 CD1 LEU A 55 -2.408 6.269 6.781 1.00 63.04 C ATOM 786 CD2 LEU A 55 -4.192 5.729 5.044 1.00 61.23 C ATOM 0 H LEU A 55 -2.082 1.463 5.660 1.00 72.23 H new ATOM 0 HA LEU A 55 -2.353 4.027 4.178 1.00 55.53 H new ATOM 0 HB2 LEU A 55 -3.894 3.153 6.118 1.00 25.44 H new ATOM 0 HB3 LEU A 55 -2.531 3.519 7.157 1.00 25.44 H new ATOM 0 HG LEU A 55 -4.245 5.285 7.156 1.00 32.24 H new ATOM 0 HD11 LEU A 55 -2.827 7.273 6.847 1.00 63.04 H new ATOM 0 HD12 LEU A 55 -2.015 5.975 7.754 1.00 63.04 H new ATOM 0 HD13 LEU A 55 -1.603 6.260 6.047 1.00 63.04 H new ATOM 0 HD21 LEU A 55 -4.530 6.760 5.150 1.00 61.23 H new ATOM 0 HD22 LEU A 55 -3.480 5.663 4.221 1.00 61.23 H new ATOM 0 HD23 LEU A 55 -5.047 5.086 4.836 1.00 61.23 H new ATOM 798 N CYS A 56 0.051 4.634 4.547 1.00 44.44 N ATOM 799 CA CYS A 56 1.401 5.157 4.790 1.00 33.13 C ATOM 800 C CYS A 56 1.378 6.072 6.023 1.00 31.20 C ATOM 801 O CYS A 56 0.861 7.191 5.955 1.00 53.45 O ATOM 802 CB CYS A 56 1.932 5.915 3.557 1.00 25.54 C ATOM 803 SG CYS A 56 3.582 6.641 3.820 1.00 21.55 S ATOM 0 H CYS A 56 -0.364 4.958 3.674 1.00 44.44 H new ATOM 0 HA CYS A 56 2.076 4.321 4.976 1.00 33.13 H new ATOM 0 HB2 CYS A 56 1.973 5.232 2.708 1.00 25.54 H new ATOM 0 HB3 CYS A 56 1.231 6.707 3.295 1.00 25.54 H new ATOM 808 N ASP A 57 1.919 5.564 7.149 1.00 74.35 N ATOM 809 CA ASP A 57 1.912 6.278 8.449 1.00 23.02 C ATOM 810 C ASP A 57 2.707 7.600 8.358 1.00 62.03 C ATOM 811 O ASP A 57 2.347 8.606 8.982 1.00 4.40 O ATOM 812 CB ASP A 57 2.491 5.369 9.561 1.00 63.13 C ATOM 813 CG ASP A 57 2.504 6.039 10.948 1.00 74.14 C ATOM 814 OD1 ASP A 57 1.431 6.168 11.566 1.00 0.43 O ATOM 815 OD2 ASP A 57 3.591 6.438 11.426 1.00 71.21 O ATOM 0 H ASP A 57 2.372 4.651 7.186 1.00 74.35 H new ATOM 0 HA ASP A 57 0.880 6.524 8.700 1.00 23.02 H new ATOM 0 HB2 ASP A 57 1.904 4.452 9.613 1.00 63.13 H new ATOM 0 HB3 ASP A 57 3.508 5.082 9.294 1.00 63.13 H new ATOM 820 N GLY A 58 3.768 7.579 7.525 1.00 53.13 N ATOM 821 CA GLY A 58 4.617 8.741 7.282 1.00 70.34 C ATOM 822 C GLY A 58 4.161 9.572 6.085 1.00 42.25 C ATOM 823 O GLY A 58 4.990 10.178 5.406 1.00 12.32 O ATOM 0 H GLY A 58 4.052 6.749 7.005 1.00 53.13 H new ATOM 0 HA2 GLY A 58 4.626 9.370 8.172 1.00 70.34 H new ATOM 0 HA3 GLY A 58 5.642 8.408 7.117 1.00 70.34 H new ATOM 827 N CYS A 59 2.840 9.552 5.795 1.00 51.42 N ATOM 828 CA CYS A 59 2.213 10.405 4.780 1.00 43.30 C ATOM 829 C CYS A 59 0.802 10.775 5.243 1.00 4.01 C ATOM 830 O CYS A 59 0.615 11.836 5.846 1.00 1.34 O ATOM 831 CB CYS A 59 2.175 9.708 3.402 1.00 22.11 C ATOM 832 SG CYS A 59 3.800 9.370 2.659 1.00 43.13 S ATOM 0 H CYS A 59 2.180 8.935 6.268 1.00 51.42 H new ATOM 0 HA CYS A 59 2.807 11.311 4.663 1.00 43.30 H new ATOM 0 HB2 CYS A 59 1.637 8.765 3.504 1.00 22.11 H new ATOM 0 HB3 CYS A 59 1.601 10.329 2.714 1.00 22.11 H new ATOM 0 HG CYS A 59 4.425 8.478 3.369 1.00 43.13 H new ATOM 837 N ASP A 60 -0.128 9.799 5.067 1.00 32.13 N ATOM 838 CA ASP A 60 -1.611 9.962 5.064 1.00 55.13 C ATOM 839 C ASP A 60 -2.191 9.048 3.967 1.00 60.04 C ATOM 840 O ASP A 60 -3.338 8.616 4.052 1.00 72.43 O ATOM 841 CB ASP A 60 -2.090 11.436 4.792 1.00 52.34 C ATOM 842 CG ASP A 60 -3.616 11.610 4.742 1.00 0.35 C ATOM 843 OD1 ASP A 60 -4.252 11.643 5.808 1.00 33.53 O ATOM 844 OD2 ASP A 60 -4.185 11.677 3.631 1.00 3.01 O ATOM 0 H ASP A 60 0.147 8.829 4.916 1.00 32.13 H new ATOM 0 HA ASP A 60 -1.965 9.697 6.060 1.00 55.13 H new ATOM 0 HB2 ASP A 60 -1.688 12.085 5.570 1.00 52.34 H new ATOM 0 HB3 ASP A 60 -1.667 11.773 3.846 1.00 52.34 H new ATOM 849 N ASP A 61 -1.359 8.739 2.956 1.00 2.13 N ATOM 850 CA ASP A 61 -1.823 8.202 1.661 1.00 34.43 C ATOM 851 C ASP A 61 -2.244 6.716 1.747 1.00 51.42 C ATOM 852 O ASP A 61 -1.535 5.893 2.342 1.00 32.02 O ATOM 853 CB ASP A 61 -0.714 8.414 0.574 1.00 3.04 C ATOM 854 CG ASP A 61 -1.267 8.710 -0.830 1.00 13.45 C ATOM 855 OD1 ASP A 61 -2.294 9.409 -0.937 1.00 14.11 O ATOM 856 OD2 ASP A 61 -0.657 8.303 -1.832 1.00 33.13 O ATOM 0 H ASP A 61 -0.347 8.854 3.012 1.00 2.13 H new ATOM 0 HA ASP A 61 -2.719 8.754 1.375 1.00 34.43 H new ATOM 0 HB2 ASP A 61 -0.070 9.238 0.882 1.00 3.04 H new ATOM 0 HB3 ASP A 61 -0.089 7.522 0.527 1.00 3.04 H new ATOM 861 N SER A 62 -3.408 6.402 1.150 1.00 31.13 N ATOM 862 CA SER A 62 -3.957 5.035 1.088 1.00 64.04 C ATOM 863 C SER A 62 -3.438 4.309 -0.167 1.00 70.24 C ATOM 864 O SER A 62 -3.379 4.895 -1.253 1.00 21.24 O ATOM 865 CB SER A 62 -5.500 5.086 1.084 1.00 15.53 C ATOM 866 OG SER A 62 -6.011 5.640 2.289 1.00 42.04 O ATOM 0 H SER A 62 -3.999 7.096 0.693 1.00 31.13 H new ATOM 0 HA SER A 62 -3.628 4.481 1.967 1.00 64.04 H new ATOM 0 HB2 SER A 62 -5.842 5.680 0.237 1.00 15.53 H new ATOM 0 HB3 SER A 62 -5.897 4.080 0.949 1.00 15.53 H new ATOM 0 HG SER A 62 -6.928 5.954 2.142 1.00 42.04 H new ATOM 872 N TYR A 63 -3.038 3.044 0.008 1.00 10.33 N ATOM 873 CA TYR A 63 -2.521 2.165 -1.062 1.00 65.33 C ATOM 874 C TYR A 63 -3.055 0.751 -0.826 1.00 45.03 C ATOM 875 O TYR A 63 -3.017 0.282 0.299 1.00 22.01 O ATOM 876 CB TYR A 63 -0.964 2.101 -1.047 1.00 73.33 C ATOM 877 CG TYR A 63 -0.231 3.413 -1.374 1.00 11.03 C ATOM 878 CD1 TYR A 63 0.033 3.769 -2.696 1.00 20.54 C ATOM 879 CD2 TYR A 63 0.216 4.272 -0.366 1.00 61.04 C ATOM 880 CE1 TYR A 63 0.714 4.923 -3.003 1.00 63.31 C ATOM 881 CE2 TYR A 63 0.908 5.426 -0.667 1.00 41.44 C ATOM 882 CZ TYR A 63 1.157 5.745 -1.989 1.00 72.11 C ATOM 883 OH TYR A 63 1.847 6.889 -2.298 1.00 64.21 O ATOM 0 H TYR A 63 -3.063 2.586 0.919 1.00 10.33 H new ATOM 0 HA TYR A 63 -2.846 2.566 -2.022 1.00 65.33 H new ATOM 0 HB2 TYR A 63 -0.644 1.765 -0.061 1.00 73.33 H new ATOM 0 HB3 TYR A 63 -0.645 1.342 -1.761 1.00 73.33 H new ATOM 0 HD1 TYR A 63 -0.304 3.125 -3.495 1.00 20.54 H new ATOM 0 HD2 TYR A 63 0.016 4.028 0.667 1.00 61.04 H new ATOM 0 HE1 TYR A 63 0.901 5.184 -4.034 1.00 63.31 H new ATOM 0 HE2 TYR A 63 1.253 6.076 0.124 1.00 41.44 H new ATOM 0 HH TYR A 63 1.245 7.660 -2.238 1.00 64.21 H new ATOM 893 N HIS A 64 -3.562 0.068 -1.868 1.00 32.11 N ATOM 894 CA HIS A 64 -3.815 -1.386 -1.786 1.00 25.35 C ATOM 895 C HIS A 64 -2.494 -2.143 -1.950 1.00 44.51 C ATOM 896 O HIS A 64 -1.609 -1.702 -2.686 1.00 42.03 O ATOM 897 CB HIS A 64 -4.801 -1.877 -2.874 1.00 60.03 C ATOM 898 CG HIS A 64 -6.224 -1.448 -2.694 1.00 60.44 C ATOM 899 ND1 HIS A 64 -6.972 -0.981 -3.752 1.00 45.00 N ATOM 900 CD2 HIS A 64 -6.996 -1.489 -1.586 1.00 50.33 C ATOM 901 CE1 HIS A 64 -8.172 -0.761 -3.258 1.00 33.12 C ATOM 902 NE2 HIS A 64 -8.234 -1.053 -1.955 1.00 11.24 N ATOM 0 H HIS A 64 -3.802 0.490 -2.765 1.00 32.11 H new ATOM 0 HA HIS A 64 -4.262 -1.580 -0.811 1.00 25.35 H new ATOM 0 HB2 HIS A 64 -4.452 -1.521 -3.843 1.00 60.03 H new ATOM 0 HB3 HIS A 64 -4.769 -2.966 -2.904 1.00 60.03 H new ATOM 0 HD2 HIS A 64 -6.692 -1.806 -0.599 1.00 50.33 H new ATOM 0 HE1 HIS A 64 -9.006 -0.390 -3.835 1.00 33.12 H new ATOM 0 HE2 HIS A 64 -9.052 -0.966 -1.352 1.00 11.24 H new ATOM 910 N THR A 65 -2.403 -3.295 -1.278 1.00 52.21 N ATOM 911 CA THR A 65 -1.281 -4.237 -1.406 1.00 51.31 C ATOM 912 C THR A 65 -1.082 -4.645 -2.887 1.00 0.52 C ATOM 913 O THR A 65 0.014 -4.541 -3.445 1.00 51.24 O ATOM 914 CB THR A 65 -1.567 -5.515 -0.547 1.00 61.43 C ATOM 915 OG1 THR A 65 -2.867 -6.024 -0.881 1.00 13.52 O ATOM 916 CG2 THR A 65 -1.506 -5.248 0.966 1.00 41.53 C ATOM 0 H THR A 65 -3.117 -3.606 -0.619 1.00 52.21 H new ATOM 0 HA THR A 65 -0.373 -3.750 -1.050 1.00 51.31 H new ATOM 0 HB THR A 65 -0.787 -6.240 -0.779 1.00 61.43 H new ATOM 0 HG1 THR A 65 -3.051 -6.825 -0.348 1.00 13.52 H new ATOM 0 HG21 THR A 65 -1.713 -6.171 1.507 1.00 41.53 H new ATOM 0 HG22 THR A 65 -0.513 -4.886 1.232 1.00 41.53 H new ATOM 0 HG23 THR A 65 -2.249 -4.497 1.233 1.00 41.53 H new ATOM 924 N PHE A 66 -2.205 -5.020 -3.514 1.00 1.45 N ATOM 925 CA PHE A 66 -2.265 -5.575 -4.884 1.00 64.14 C ATOM 926 C PHE A 66 -2.260 -4.486 -5.983 1.00 21.34 C ATOM 927 O PHE A 66 -2.250 -4.818 -7.173 1.00 11.20 O ATOM 928 CB PHE A 66 -3.516 -6.515 -5.016 1.00 32.24 C ATOM 929 CG PHE A 66 -4.805 -6.007 -4.344 1.00 71.23 C ATOM 930 CD1 PHE A 66 -5.650 -5.093 -4.978 1.00 31.11 C ATOM 931 CD2 PHE A 66 -5.167 -6.452 -3.065 1.00 13.25 C ATOM 932 CE1 PHE A 66 -6.803 -4.647 -4.359 1.00 61.41 C ATOM 933 CE2 PHE A 66 -6.320 -6.001 -2.450 1.00 41.11 C ATOM 934 CZ PHE A 66 -7.139 -5.099 -3.098 1.00 31.43 C ATOM 0 H PHE A 66 -3.123 -4.946 -3.076 1.00 1.45 H new ATOM 0 HA PHE A 66 -1.356 -6.155 -5.043 1.00 64.14 H new ATOM 0 HB2 PHE A 66 -3.718 -6.674 -6.075 1.00 32.24 H new ATOM 0 HB3 PHE A 66 -3.264 -7.486 -4.590 1.00 32.24 H new ATOM 0 HD1 PHE A 66 -5.400 -4.730 -5.964 1.00 31.11 H new ATOM 0 HD2 PHE A 66 -4.534 -7.160 -2.551 1.00 13.25 H new ATOM 0 HE1 PHE A 66 -7.445 -3.941 -4.865 1.00 61.41 H new ATOM 0 HE2 PHE A 66 -6.580 -6.354 -1.463 1.00 41.11 H new ATOM 0 HZ PHE A 66 -8.041 -4.747 -2.620 1.00 31.43 H new ATOM 944 N CYS A 67 -2.273 -3.192 -5.591 1.00 30.32 N ATOM 945 CA CYS A 67 -2.200 -2.056 -6.548 1.00 15.24 C ATOM 946 C CYS A 67 -0.774 -1.495 -6.649 1.00 21.34 C ATOM 947 O CYS A 67 -0.453 -0.760 -7.589 1.00 22.43 O ATOM 948 CB CYS A 67 -3.202 -0.961 -6.127 1.00 4.41 C ATOM 949 SG CYS A 67 -4.905 -1.585 -6.072 1.00 52.32 S ATOM 0 H CYS A 67 -2.334 -2.904 -4.614 1.00 30.32 H new ATOM 0 HA CYS A 67 -2.468 -2.419 -7.540 1.00 15.24 H new ATOM 0 HB2 CYS A 67 -2.926 -0.574 -5.146 1.00 4.41 H new ATOM 0 HB3 CYS A 67 -3.144 -0.127 -6.827 1.00 4.41 H new ATOM 0 HG CYS A 67 -5.719 -0.664 -6.496 1.00 52.32 H new ATOM 954 N LEU A 68 0.064 -1.828 -5.656 1.00 73.33 N ATOM 955 CA LEU A 68 1.481 -1.419 -5.615 1.00 12.15 C ATOM 956 C LEU A 68 2.314 -2.165 -6.672 1.00 32.34 C ATOM 957 O LEU A 68 1.864 -3.154 -7.249 1.00 32.43 O ATOM 958 CB LEU A 68 2.036 -1.682 -4.193 1.00 14.54 C ATOM 959 CG LEU A 68 1.449 -0.759 -3.078 1.00 62.21 C ATOM 960 CD1 LEU A 68 1.670 -1.353 -1.676 1.00 64.41 C ATOM 961 CD2 LEU A 68 2.018 0.680 -3.183 1.00 14.50 C ATOM 0 H LEU A 68 -0.221 -2.391 -4.854 1.00 73.33 H new ATOM 0 HA LEU A 68 1.550 -0.356 -5.847 1.00 12.15 H new ATOM 0 HB2 LEU A 68 1.837 -2.720 -3.927 1.00 14.54 H new ATOM 0 HB3 LEU A 68 3.119 -1.560 -4.213 1.00 14.54 H new ATOM 0 HG LEU A 68 0.372 -0.699 -3.236 1.00 62.21 H new ATOM 0 HD11 LEU A 68 1.248 -0.683 -0.926 1.00 64.41 H new ATOM 0 HD12 LEU A 68 1.180 -2.325 -1.611 1.00 64.41 H new ATOM 0 HD13 LEU A 68 2.738 -1.473 -1.496 1.00 64.41 H new ATOM 0 HD21 LEU A 68 1.591 1.299 -2.394 1.00 14.50 H new ATOM 0 HD22 LEU A 68 3.102 0.651 -3.075 1.00 14.50 H new ATOM 0 HD23 LEU A 68 1.761 1.103 -4.154 1.00 14.50 H new ATOM 973 N LEU A 69 3.524 -1.646 -6.942 1.00 3.53 N ATOM 974 CA LEU A 69 4.520 -2.300 -7.818 1.00 40.23 C ATOM 975 C LEU A 69 5.886 -2.342 -7.081 1.00 20.44 C ATOM 976 O LEU A 69 6.473 -1.285 -6.841 1.00 72.42 O ATOM 977 CB LEU A 69 4.634 -1.573 -9.191 1.00 62.32 C ATOM 978 CG LEU A 69 3.387 -1.682 -10.129 1.00 23.34 C ATOM 979 CD1 LEU A 69 3.607 -0.897 -11.432 1.00 25.30 C ATOM 980 CD2 LEU A 69 3.027 -3.158 -10.428 1.00 1.53 C ATOM 0 H LEU A 69 3.843 -0.757 -6.558 1.00 3.53 H new ATOM 0 HA LEU A 69 4.197 -3.319 -8.032 1.00 40.23 H new ATOM 0 HB2 LEU A 69 4.833 -0.518 -9.006 1.00 62.32 H new ATOM 0 HB3 LEU A 69 5.499 -1.973 -9.721 1.00 62.32 H new ATOM 0 HG LEU A 69 2.542 -1.237 -9.603 1.00 23.34 H new ATOM 0 HD11 LEU A 69 2.725 -0.990 -12.066 1.00 25.30 H new ATOM 0 HD12 LEU A 69 3.778 0.154 -11.199 1.00 25.30 H new ATOM 0 HD13 LEU A 69 4.474 -1.298 -11.956 1.00 25.30 H new ATOM 0 HD21 LEU A 69 2.156 -3.195 -11.082 1.00 1.53 H new ATOM 0 HD22 LEU A 69 3.870 -3.646 -10.918 1.00 1.53 H new ATOM 0 HD23 LEU A 69 2.802 -3.674 -9.495 1.00 1.53 H new ATOM 992 N PRO A 70 6.408 -3.547 -6.666 1.00 70.23 N ATOM 993 CA PRO A 70 5.755 -4.869 -6.867 1.00 33.12 C ATOM 994 C PRO A 70 4.543 -5.080 -5.911 1.00 43.12 C ATOM 995 O PRO A 70 4.587 -4.632 -4.754 1.00 13.51 O ATOM 996 CB PRO A 70 6.907 -5.872 -6.570 1.00 21.53 C ATOM 997 CG PRO A 70 7.778 -5.157 -5.579 1.00 62.43 C ATOM 998 CD PRO A 70 7.712 -3.688 -5.962 1.00 14.42 C ATOM 0 HA PRO A 70 5.329 -4.984 -7.864 1.00 33.12 H new ATOM 0 HB2 PRO A 70 6.524 -6.807 -6.161 1.00 21.53 H new ATOM 0 HB3 PRO A 70 7.459 -6.123 -7.476 1.00 21.53 H new ATOM 0 HG2 PRO A 70 7.422 -5.313 -4.560 1.00 62.43 H new ATOM 0 HG3 PRO A 70 8.803 -5.527 -5.619 1.00 62.43 H new ATOM 0 HD2 PRO A 70 7.760 -3.046 -5.083 1.00 14.42 H new ATOM 0 HD3 PRO A 70 8.544 -3.408 -6.608 1.00 14.42 H new ATOM 1006 N PRO A 71 3.422 -5.716 -6.403 1.00 42.14 N ATOM 1007 CA PRO A 71 2.226 -5.987 -5.572 1.00 45.44 C ATOM 1008 C PRO A 71 2.573 -6.895 -4.377 1.00 71.31 C ATOM 1009 O PRO A 71 3.181 -7.958 -4.550 1.00 22.13 O ATOM 1010 CB PRO A 71 1.235 -6.674 -6.555 1.00 13.32 C ATOM 1011 CG PRO A 71 1.732 -6.329 -7.927 1.00 33.15 C ATOM 1012 CD PRO A 71 3.235 -6.213 -7.793 1.00 43.23 C ATOM 0 HA PRO A 71 1.805 -5.085 -5.128 1.00 45.44 H new ATOM 0 HB2 PRO A 71 1.216 -7.753 -6.404 1.00 13.32 H new ATOM 0 HB3 PRO A 71 0.218 -6.313 -6.403 1.00 13.32 H new ATOM 0 HG2 PRO A 71 1.460 -7.100 -8.648 1.00 33.15 H new ATOM 0 HG3 PRO A 71 1.296 -5.394 -8.279 1.00 33.15 H new ATOM 0 HD2 PRO A 71 3.727 -7.174 -7.945 1.00 43.23 H new ATOM 0 HD3 PRO A 71 3.651 -5.522 -8.526 1.00 43.23 H new ATOM 1020 N LEU A 72 2.207 -6.447 -3.172 1.00 60.20 N ATOM 1021 CA LEU A 72 2.511 -7.152 -1.926 1.00 53.20 C ATOM 1022 C LEU A 72 1.480 -8.271 -1.697 1.00 51.21 C ATOM 1023 O LEU A 72 0.352 -8.004 -1.276 1.00 45.23 O ATOM 1024 CB LEU A 72 2.532 -6.144 -0.735 1.00 31.52 C ATOM 1025 CG LEU A 72 3.513 -4.933 -0.899 1.00 73.41 C ATOM 1026 CD1 LEU A 72 3.504 -4.011 0.333 1.00 71.42 C ATOM 1027 CD2 LEU A 72 4.947 -5.406 -1.220 1.00 13.22 C ATOM 0 H LEU A 72 1.688 -5.580 -3.034 1.00 60.20 H new ATOM 0 HA LEU A 72 3.498 -7.609 -1.995 1.00 53.20 H new ATOM 0 HB2 LEU A 72 1.524 -5.756 -0.591 1.00 31.52 H new ATOM 0 HB3 LEU A 72 2.798 -6.685 0.173 1.00 31.52 H new ATOM 0 HG LEU A 72 3.152 -4.350 -1.746 1.00 73.41 H new ATOM 0 HD11 LEU A 72 4.198 -3.186 0.175 1.00 71.42 H new ATOM 0 HD12 LEU A 72 2.499 -3.616 0.485 1.00 71.42 H new ATOM 0 HD13 LEU A 72 3.808 -4.577 1.213 1.00 71.42 H new ATOM 0 HD21 LEU A 72 5.600 -4.540 -1.327 1.00 13.22 H new ATOM 0 HD22 LEU A 72 5.312 -6.038 -0.410 1.00 13.22 H new ATOM 0 HD23 LEU A 72 4.943 -5.975 -2.150 1.00 13.22 H new ATOM 1039 N THR A 73 1.870 -9.517 -2.027 1.00 61.44 N ATOM 1040 CA THR A 73 1.029 -10.719 -1.834 1.00 50.12 C ATOM 1041 C THR A 73 0.755 -10.965 -0.328 1.00 20.21 C ATOM 1042 O THR A 73 -0.260 -11.558 0.052 1.00 43.22 O ATOM 1043 CB THR A 73 1.725 -11.974 -2.466 1.00 34.43 C ATOM 1044 OG1 THR A 73 2.195 -11.648 -3.783 1.00 52.13 O ATOM 1045 CG2 THR A 73 0.778 -13.189 -2.562 1.00 2.04 C ATOM 0 H THR A 73 2.781 -9.721 -2.437 1.00 61.44 H new ATOM 0 HA THR A 73 0.075 -10.552 -2.334 1.00 50.12 H new ATOM 0 HB THR A 73 2.553 -12.247 -1.812 1.00 34.43 H new ATOM 0 HG1 THR A 73 2.632 -12.432 -4.178 1.00 52.13 H new ATOM 0 HG21 THR A 73 1.310 -14.030 -3.006 1.00 2.04 H new ATOM 0 HG22 THR A 73 0.435 -13.463 -1.564 1.00 2.04 H new ATOM 0 HG23 THR A 73 -0.080 -12.933 -3.183 1.00 2.04 H new ATOM 1053 N SER A 74 1.681 -10.480 0.515 1.00 73.34 N ATOM 1054 CA SER A 74 1.581 -10.546 1.975 1.00 64.23 C ATOM 1055 C SER A 74 1.360 -9.128 2.524 1.00 4.15 C ATOM 1056 O SER A 74 2.041 -8.183 2.103 1.00 4.01 O ATOM 1057 CB SER A 74 2.864 -11.170 2.558 1.00 70.51 C ATOM 1058 OG SER A 74 3.141 -12.425 1.953 1.00 62.12 O ATOM 0 H SER A 74 2.534 -10.024 0.191 1.00 73.34 H new ATOM 0 HA SER A 74 0.738 -11.173 2.266 1.00 64.23 H new ATOM 0 HB2 SER A 74 3.705 -10.494 2.402 1.00 70.51 H new ATOM 0 HB3 SER A 74 2.753 -11.298 3.635 1.00 70.51 H new ATOM 0 HG SER A 74 3.960 -12.800 2.338 1.00 62.12 H new ATOM 1064 N ILE A 75 0.385 -8.993 3.430 1.00 11.42 N ATOM 1065 CA ILE A 75 0.082 -7.722 4.096 1.00 45.45 C ATOM 1066 C ILE A 75 1.040 -7.538 5.298 1.00 25.54 C ATOM 1067 O ILE A 75 1.129 -8.440 6.141 1.00 43.23 O ATOM 1068 CB ILE A 75 -1.420 -7.664 4.595 1.00 32.35 C ATOM 1069 CG1 ILE A 75 -2.398 -8.005 3.426 1.00 55.04 C ATOM 1070 CG2 ILE A 75 -1.751 -6.275 5.218 1.00 75.45 C ATOM 1071 CD1 ILE A 75 -3.873 -8.031 3.809 1.00 21.51 C ATOM 0 H ILE A 75 -0.217 -9.763 3.722 1.00 11.42 H new ATOM 0 HA ILE A 75 0.221 -6.917 3.374 1.00 45.45 H new ATOM 0 HB ILE A 75 -1.549 -8.413 5.376 1.00 32.35 H new ATOM 0 HG12 ILE A 75 -2.257 -7.274 2.629 1.00 55.04 H new ATOM 0 HG13 ILE A 75 -2.127 -8.978 3.017 1.00 55.04 H new ATOM 0 HG21 ILE A 75 -2.789 -6.264 5.552 1.00 75.45 H new ATOM 0 HG22 ILE A 75 -1.094 -6.092 6.068 1.00 75.45 H new ATOM 0 HG23 ILE A 75 -1.602 -5.496 4.470 1.00 75.45 H new ATOM 0 HD11 ILE A 75 -4.472 -8.276 2.932 1.00 21.51 H new ATOM 0 HD12 ILE A 75 -4.035 -8.783 4.581 1.00 21.51 H new ATOM 0 HD13 ILE A 75 -4.168 -7.052 4.188 1.00 21.51 H new ATOM 1083 N PRO A 76 1.811 -6.401 5.364 1.00 30.53 N ATOM 1084 CA PRO A 76 2.563 -6.016 6.582 1.00 24.22 C ATOM 1085 C PRO A 76 1.607 -5.788 7.762 1.00 32.21 C ATOM 1086 O PRO A 76 0.515 -5.228 7.567 1.00 23.24 O ATOM 1087 CB PRO A 76 3.292 -4.705 6.183 1.00 64.33 C ATOM 1088 CG PRO A 76 3.272 -4.685 4.685 1.00 23.14 C ATOM 1089 CD PRO A 76 2.026 -5.433 4.264 1.00 53.13 C ATOM 0 HA PRO A 76 3.259 -6.789 6.909 1.00 24.22 H new ATOM 0 HB2 PRO A 76 2.786 -3.832 6.595 1.00 64.33 H new ATOM 0 HB3 PRO A 76 4.313 -4.691 6.563 1.00 64.33 H new ATOM 0 HG2 PRO A 76 3.256 -3.661 4.311 1.00 23.14 H new ATOM 0 HG3 PRO A 76 4.165 -5.159 4.278 1.00 23.14 H new ATOM 0 HD2 PRO A 76 1.175 -4.761 4.149 1.00 53.13 H new ATOM 0 HD3 PRO A 76 2.165 -5.937 3.308 1.00 53.13 H new ATOM 1097 N LYS A 77 2.013 -6.230 8.966 1.00 20.12 N ATOM 1098 CA LYS A 77 1.173 -6.139 10.168 1.00 45.31 C ATOM 1099 C LYS A 77 0.850 -4.653 10.514 1.00 60.44 C ATOM 1100 O LYS A 77 1.694 -3.899 10.998 1.00 22.02 O ATOM 1101 CB LYS A 77 1.811 -6.952 11.361 1.00 63.15 C ATOM 1102 CG LYS A 77 3.275 -6.573 11.773 1.00 21.22 C ATOM 1103 CD LYS A 77 3.359 -5.498 12.899 1.00 74.33 C ATOM 1104 CE LYS A 77 4.757 -4.896 13.061 1.00 13.54 C ATOM 1105 NZ LYS A 77 4.759 -3.717 13.966 1.00 73.12 N ATOM 0 H LYS A 77 2.925 -6.656 9.130 1.00 20.12 H new ATOM 0 HA LYS A 77 0.210 -6.610 9.968 1.00 45.31 H new ATOM 0 HB2 LYS A 77 1.171 -6.832 12.235 1.00 63.15 H new ATOM 0 HB3 LYS A 77 1.795 -8.010 11.098 1.00 63.15 H new ATOM 0 HG2 LYS A 77 3.793 -7.473 12.105 1.00 21.22 H new ATOM 0 HG3 LYS A 77 3.805 -6.206 10.894 1.00 21.22 H new ATOM 0 HD2 LYS A 77 2.650 -4.699 12.682 1.00 74.33 H new ATOM 0 HD3 LYS A 77 3.053 -5.947 13.844 1.00 74.33 H new ATOM 0 HE2 LYS A 77 5.434 -5.655 13.454 1.00 13.54 H new ATOM 0 HE3 LYS A 77 5.140 -4.602 12.084 1.00 13.54 H new ATOM 0 HZ1 LYS A 77 5.726 -3.342 14.046 1.00 73.12 H new ATOM 0 HZ2 LYS A 77 4.134 -2.981 13.579 1.00 73.12 H new ATOM 0 HZ3 LYS A 77 4.419 -4.001 14.907 1.00 73.12 H new ATOM 1119 N GLY A 78 -0.338 -4.210 10.080 1.00 52.13 N ATOM 1120 CA GLY A 78 -0.959 -2.981 10.570 1.00 71.53 C ATOM 1121 C GLY A 78 -0.455 -1.721 9.879 1.00 3.51 C ATOM 1122 O GLY A 78 -1.138 -1.176 9.013 1.00 33.55 O ATOM 0 H GLY A 78 -0.893 -4.698 9.377 1.00 52.13 H new ATOM 0 HA2 GLY A 78 -2.038 -3.051 10.435 1.00 71.53 H new ATOM 0 HA3 GLY A 78 -0.777 -2.895 11.641 1.00 71.53 H new ATOM 1126 N GLU A 79 0.757 -1.261 10.253 1.00 45.30 N ATOM 1127 CA GLU A 79 1.337 0.017 9.781 1.00 33.21 C ATOM 1128 C GLU A 79 2.475 -0.237 8.766 1.00 24.12 C ATOM 1129 O GLU A 79 3.462 -0.911 9.074 1.00 22.32 O ATOM 1130 CB GLU A 79 1.827 0.845 11.002 1.00 51.20 C ATOM 1131 CG GLU A 79 0.691 1.232 11.975 1.00 3.22 C ATOM 1132 CD GLU A 79 1.176 1.990 13.221 1.00 61.00 C ATOM 1133 OE1 GLU A 79 1.612 1.335 14.188 1.00 73.41 O ATOM 1134 OE2 GLU A 79 1.132 3.239 13.239 1.00 14.05 O ATOM 0 H GLU A 79 1.366 -1.768 10.895 1.00 45.30 H new ATOM 0 HA GLU A 79 0.571 0.592 9.261 1.00 33.21 H new ATOM 0 HB2 GLU A 79 2.579 0.271 11.543 1.00 51.20 H new ATOM 0 HB3 GLU A 79 2.314 1.752 10.645 1.00 51.20 H new ATOM 0 HG2 GLU A 79 -0.035 1.849 11.445 1.00 3.22 H new ATOM 0 HG3 GLU A 79 0.171 0.328 12.290 1.00 3.22 H new ATOM 1141 N TRP A 80 2.289 0.292 7.554 1.00 13.01 N ATOM 1142 CA TRP A 80 3.240 0.214 6.439 1.00 42.52 C ATOM 1143 C TRP A 80 3.615 1.638 5.984 1.00 2.13 C ATOM 1144 O TRP A 80 2.855 2.590 6.212 1.00 71.34 O ATOM 1145 CB TRP A 80 2.575 -0.619 5.310 1.00 32.02 C ATOM 1146 CG TRP A 80 3.305 -0.661 3.987 1.00 22.11 C ATOM 1147 CD1 TRP A 80 4.338 -1.483 3.622 1.00 52.02 C ATOM 1148 CD2 TRP A 80 3.033 0.163 2.851 1.00 54.34 C ATOM 1149 NE1 TRP A 80 4.687 -1.242 2.319 1.00 62.13 N ATOM 1150 CE2 TRP A 80 3.906 -0.229 1.829 1.00 44.13 C ATOM 1151 CE3 TRP A 80 2.124 1.195 2.614 1.00 15.12 C ATOM 1152 CZ2 TRP A 80 3.895 0.372 0.578 1.00 13.52 C ATOM 1153 CZ3 TRP A 80 2.106 1.792 1.377 1.00 32.54 C ATOM 1154 CH2 TRP A 80 2.988 1.380 0.369 1.00 61.10 C ATOM 0 H TRP A 80 1.441 0.805 7.312 1.00 13.01 H new ATOM 0 HA TRP A 80 4.168 -0.277 6.732 1.00 42.52 H new ATOM 0 HB2 TRP A 80 2.454 -1.642 5.666 1.00 32.02 H new ATOM 0 HB3 TRP A 80 1.575 -0.222 5.136 1.00 32.02 H new ATOM 0 HD1 TRP A 80 4.808 -2.212 4.265 1.00 52.02 H new ATOM 0 HE1 TRP A 80 5.411 -1.737 1.798 1.00 62.13 H new ATOM 0 HE3 TRP A 80 1.446 1.519 3.390 1.00 15.12 H new ATOM 0 HZ2 TRP A 80 4.574 0.058 -0.201 1.00 13.52 H new ATOM 0 HZ3 TRP A 80 1.404 2.588 1.179 1.00 32.54 H new ATOM 0 HH2 TRP A 80 2.953 1.867 -0.594 1.00 61.10 H new ATOM 1165 N LEU A 81 4.800 1.782 5.363 1.00 11.42 N ATOM 1166 CA LEU A 81 5.295 3.065 4.823 1.00 25.51 C ATOM 1167 C LEU A 81 5.417 2.983 3.299 1.00 53.31 C ATOM 1168 O LEU A 81 5.922 1.986 2.772 1.00 41.32 O ATOM 1169 CB LEU A 81 6.668 3.426 5.438 1.00 4.23 C ATOM 1170 CG LEU A 81 6.681 3.690 6.971 1.00 33.41 C ATOM 1171 CD1 LEU A 81 8.088 4.070 7.460 1.00 60.12 C ATOM 1172 CD2 LEU A 81 5.645 4.763 7.361 1.00 64.24 C ATOM 0 H LEU A 81 5.447 1.006 5.220 1.00 11.42 H new ATOM 0 HA LEU A 81 4.580 3.844 5.086 1.00 25.51 H new ATOM 0 HB2 LEU A 81 7.364 2.615 5.223 1.00 4.23 H new ATOM 0 HB3 LEU A 81 7.048 4.314 4.933 1.00 4.23 H new ATOM 0 HG LEU A 81 6.399 2.762 7.468 1.00 33.41 H new ATOM 0 HD11 LEU A 81 8.064 4.248 8.535 1.00 60.12 H new ATOM 0 HD12 LEU A 81 8.781 3.257 7.242 1.00 60.12 H new ATOM 0 HD13 LEU A 81 8.419 4.975 6.950 1.00 60.12 H new ATOM 0 HD21 LEU A 81 5.678 4.926 8.438 1.00 64.24 H new ATOM 0 HD22 LEU A 81 5.876 5.696 6.846 1.00 64.24 H new ATOM 0 HD23 LEU A 81 4.648 4.427 7.075 1.00 64.24 H new ATOM 1184 N CYS A 82 4.968 4.049 2.605 1.00 60.33 N ATOM 1185 CA CYS A 82 5.057 4.162 1.136 1.00 50.40 C ATOM 1186 C CYS A 82 6.531 4.087 0.652 1.00 53.21 C ATOM 1187 O CYS A 82 7.436 4.418 1.424 1.00 55.12 O ATOM 1188 CB CYS A 82 4.407 5.480 0.654 1.00 44.14 C ATOM 1189 SG CYS A 82 5.226 6.972 1.252 1.00 73.25 S ATOM 0 H CYS A 82 4.533 4.857 3.049 1.00 60.33 H new ATOM 0 HA CYS A 82 4.515 3.320 0.705 1.00 50.40 H new ATOM 0 HB2 CYS A 82 4.404 5.493 -0.436 1.00 44.14 H new ATOM 0 HB3 CYS A 82 3.366 5.497 0.976 1.00 44.14 H new ATOM 0 HG CYS A 82 4.433 7.607 2.063 1.00 73.25 H new ATOM 1194 N PRO A 83 6.789 3.643 -0.627 1.00 41.44 N ATOM 1195 CA PRO A 83 8.149 3.673 -1.253 1.00 43.23 C ATOM 1196 C PRO A 83 8.856 5.043 -1.134 1.00 3.53 C ATOM 1197 O PRO A 83 10.078 5.105 -1.110 1.00 51.43 O ATOM 1198 CB PRO A 83 7.858 3.314 -2.731 1.00 41.55 C ATOM 1199 CG PRO A 83 6.643 2.431 -2.651 1.00 30.40 C ATOM 1200 CD PRO A 83 5.793 3.017 -1.543 1.00 30.42 C ATOM 0 HA PRO A 83 8.838 2.989 -0.757 1.00 43.23 H new ATOM 0 HB2 PRO A 83 7.667 4.205 -3.329 1.00 41.55 H new ATOM 0 HB3 PRO A 83 8.700 2.796 -3.190 1.00 41.55 H new ATOM 0 HG2 PRO A 83 6.102 2.420 -3.597 1.00 30.40 H new ATOM 0 HG3 PRO A 83 6.920 1.400 -2.430 1.00 30.40 H new ATOM 0 HD2 PRO A 83 5.085 3.752 -1.927 1.00 30.42 H new ATOM 0 HD3 PRO A 83 5.210 2.248 -1.036 1.00 30.42 H new ATOM 1208 N ARG A 84 8.070 6.126 -1.028 1.00 12.33 N ATOM 1209 CA ARG A 84 8.604 7.498 -0.862 1.00 3.43 C ATOM 1210 C ARG A 84 9.113 7.741 0.581 1.00 0.23 C ATOM 1211 O ARG A 84 10.005 8.549 0.767 1.00 2.14 O ATOM 1212 CB ARG A 84 7.546 8.577 -1.272 1.00 12.15 C ATOM 1213 CG ARG A 84 7.419 8.853 -2.796 1.00 63.41 C ATOM 1214 CD ARG A 84 7.075 7.598 -3.619 1.00 74.30 C ATOM 1215 NE ARG A 84 6.928 7.905 -5.055 1.00 53.52 N ATOM 1216 CZ ARG A 84 7.690 7.402 -6.043 1.00 31.41 C ATOM 1217 NH1 ARG A 84 8.680 6.547 -5.783 1.00 51.11 N ATOM 1218 NH2 ARG A 84 7.430 7.747 -7.297 1.00 71.51 N ATOM 0 H ARG A 84 7.051 6.082 -1.054 1.00 12.33 H new ATOM 0 HA ARG A 84 9.457 7.595 -1.534 1.00 3.43 H new ATOM 0 HB2 ARG A 84 6.572 8.265 -0.896 1.00 12.15 H new ATOM 0 HB3 ARG A 84 7.796 9.513 -0.772 1.00 12.15 H new ATOM 0 HG2 ARG A 84 6.649 9.607 -2.958 1.00 63.41 H new ATOM 0 HG3 ARG A 84 8.357 9.272 -3.161 1.00 63.41 H new ATOM 0 HD2 ARG A 84 7.857 6.851 -3.486 1.00 74.30 H new ATOM 0 HD3 ARG A 84 6.149 7.161 -3.245 1.00 74.30 H new ATOM 0 HE ARG A 84 6.186 8.553 -5.321 1.00 53.52 H new ATOM 0 HH11 ARG A 84 8.870 6.264 -4.822 1.00 51.11 H new ATOM 0 HH12 ARG A 84 9.247 6.176 -6.545 1.00 51.11 H new ATOM 0 HH21 ARG A 84 6.661 8.385 -7.501 1.00 71.51 H new ATOM 0 HH22 ARG A 84 7.999 7.374 -8.057 1.00 71.51 H new ATOM 1232 N CYS A 85 8.536 7.043 1.585 1.00 22.50 N ATOM 1233 CA CYS A 85 9.015 7.101 2.974 1.00 51.35 C ATOM 1234 C CYS A 85 10.255 6.199 3.150 1.00 70.41 C ATOM 1235 O CYS A 85 11.191 6.561 3.864 1.00 31.45 O ATOM 1236 CB CYS A 85 7.896 6.676 3.942 1.00 44.24 C ATOM 1237 SG CYS A 85 6.412 7.722 3.834 1.00 74.34 S ATOM 0 H CYS A 85 7.732 6.430 1.451 1.00 22.50 H new ATOM 0 HA CYS A 85 9.299 8.128 3.204 1.00 51.35 H new ATOM 0 HB2 CYS A 85 7.619 5.642 3.734 1.00 44.24 H new ATOM 0 HB3 CYS A 85 8.278 6.704 4.962 1.00 44.24 H new ATOM 0 HG CYS A 85 5.548 7.168 3.037 1.00 74.34 H new ATOM 1242 N VAL A 86 10.240 5.022 2.468 1.00 0.12 N ATOM 1243 CA VAL A 86 11.321 4.005 2.532 1.00 2.12 C ATOM 1244 C VAL A 86 12.604 4.503 1.823 1.00 31.55 C ATOM 1245 O VAL A 86 13.717 4.352 2.344 1.00 34.35 O ATOM 1246 CB VAL A 86 10.837 2.633 1.907 1.00 60.20 C ATOM 1247 CG1 VAL A 86 11.938 1.546 1.989 1.00 14.32 C ATOM 1248 CG2 VAL A 86 9.540 2.146 2.606 1.00 21.34 C ATOM 0 H VAL A 86 9.471 4.752 1.855 1.00 0.12 H new ATOM 0 HA VAL A 86 11.561 3.841 3.583 1.00 2.12 H new ATOM 0 HB VAL A 86 10.625 2.808 0.852 1.00 60.20 H new ATOM 0 HG11 VAL A 86 11.568 0.619 1.550 1.00 14.32 H new ATOM 0 HG12 VAL A 86 12.820 1.880 1.442 1.00 14.32 H new ATOM 0 HG13 VAL A 86 12.202 1.373 3.032 1.00 14.32 H new ATOM 0 HG21 VAL A 86 9.221 1.202 2.164 1.00 21.34 H new ATOM 0 HG22 VAL A 86 9.732 2.003 3.669 1.00 21.34 H new ATOM 0 HG23 VAL A 86 8.755 2.891 2.476 1.00 21.34 H new ATOM 1258 N VAL A 87 12.435 5.096 0.630 1.00 52.55 N ATOM 1259 CA VAL A 87 13.548 5.721 -0.127 1.00 45.23 C ATOM 1260 C VAL A 87 13.851 7.131 0.428 1.00 3.50 C ATOM 1261 O VAL A 87 14.949 7.647 0.221 1.00 33.45 O ATOM 1262 CB VAL A 87 13.229 5.779 -1.681 1.00 1.41 C ATOM 1263 CG1 VAL A 87 14.353 6.454 -2.517 1.00 32.12 C ATOM 1264 CG2 VAL A 87 12.925 4.365 -2.236 1.00 55.22 C ATOM 0 H VAL A 87 11.532 5.159 0.160 1.00 52.55 H new ATOM 0 HA VAL A 87 14.435 5.101 0.002 1.00 45.23 H new ATOM 0 HB VAL A 87 12.343 6.406 -1.782 1.00 1.41 H new ATOM 0 HG11 VAL A 87 14.070 6.460 -3.570 1.00 32.12 H new ATOM 0 HG12 VAL A 87 14.496 7.479 -2.174 1.00 32.12 H new ATOM 0 HG13 VAL A 87 15.282 5.897 -2.394 1.00 32.12 H new ATOM 0 HG21 VAL A 87 12.710 4.431 -3.302 1.00 55.22 H new ATOM 0 HG22 VAL A 87 13.789 3.719 -2.080 1.00 55.22 H new ATOM 0 HG23 VAL A 87 12.062 3.948 -1.717 1.00 55.22 H new ATOM 1274 N GLU A 88 12.875 7.712 1.174 1.00 72.40 N ATOM 1275 CA GLU A 88 12.926 9.070 1.710 1.00 13.20 C ATOM 1276 C GLU A 88 12.991 10.105 0.557 1.00 42.33 C ATOM 1277 O GLU A 88 11.956 10.608 0.096 1.00 74.30 O ATOM 1278 CB GLU A 88 14.094 9.230 2.722 1.00 31.22 C ATOM 1279 CG GLU A 88 14.094 10.568 3.456 1.00 34.54 C ATOM 1280 CD GLU A 88 15.454 10.906 4.092 1.00 2.04 C ATOM 1281 OE1 GLU A 88 15.736 10.437 5.214 1.00 44.43 O ATOM 1282 OE2 GLU A 88 16.260 11.619 3.454 1.00 44.20 O ATOM 0 H GLU A 88 12.014 7.223 1.418 1.00 72.40 H new ATOM 0 HA GLU A 88 12.008 9.263 2.265 1.00 13.20 H new ATOM 0 HB2 GLU A 88 14.041 8.424 3.454 1.00 31.22 H new ATOM 0 HB3 GLU A 88 15.040 9.117 2.192 1.00 31.22 H new ATOM 0 HG2 GLU A 88 13.819 11.359 2.758 1.00 34.54 H new ATOM 0 HG3 GLU A 88 13.330 10.549 4.233 1.00 34.54 H new ATOM 1289 N GLU A 89 14.217 10.358 0.081 1.00 72.55 N ATOM 1290 CA GLU A 89 14.505 11.234 -1.060 1.00 25.55 C ATOM 1291 C GLU A 89 15.986 11.022 -1.466 1.00 74.11 C ATOM 1292 O GLU A 89 16.589 11.862 -2.132 1.00 52.00 O ATOM 1293 CB GLU A 89 14.204 12.741 -0.704 1.00 33.50 C ATOM 1294 CG GLU A 89 13.425 13.545 -1.781 1.00 64.03 C ATOM 1295 CD GLU A 89 14.070 13.533 -3.179 1.00 33.44 C ATOM 1296 OE1 GLU A 89 15.033 14.291 -3.410 1.00 52.44 O ATOM 1297 OE2 GLU A 89 13.624 12.760 -4.059 1.00 31.03 O ATOM 0 H GLU A 89 15.057 9.948 0.490 1.00 72.55 H new ATOM 0 HA GLU A 89 13.860 10.983 -1.902 1.00 25.55 H new ATOM 0 HB2 GLU A 89 13.636 12.769 0.226 1.00 33.50 H new ATOM 0 HB3 GLU A 89 15.151 13.246 -0.514 1.00 33.50 H new ATOM 0 HG2 GLU A 89 12.415 13.142 -1.857 1.00 64.03 H new ATOM 0 HG3 GLU A 89 13.331 14.578 -1.447 1.00 64.03 H new ATOM 1304 N VAL A 90 16.559 9.862 -1.075 1.00 24.14 N ATOM 1305 CA VAL A 90 17.982 9.553 -1.303 1.00 11.33 C ATOM 1306 C VAL A 90 18.146 8.620 -2.521 1.00 65.23 C ATOM 1307 O VAL A 90 18.568 7.465 -2.407 1.00 73.55 O ATOM 1308 CB VAL A 90 18.691 8.979 0.003 1.00 75.20 C ATOM 1309 CG1 VAL A 90 18.734 10.053 1.108 1.00 14.42 C ATOM 1310 CG2 VAL A 90 18.019 7.694 0.546 1.00 74.14 C ATOM 0 H VAL A 90 16.049 9.120 -0.596 1.00 24.14 H new ATOM 0 HA VAL A 90 18.494 10.487 -1.532 1.00 11.33 H new ATOM 0 HB VAL A 90 19.705 8.708 -0.292 1.00 75.20 H new ATOM 0 HG11 VAL A 90 19.221 9.645 1.993 1.00 14.42 H new ATOM 0 HG12 VAL A 90 19.293 10.919 0.753 1.00 14.42 H new ATOM 0 HG13 VAL A 90 17.718 10.356 1.361 1.00 14.42 H new ATOM 0 HG21 VAL A 90 18.549 7.354 1.436 1.00 74.14 H new ATOM 0 HG22 VAL A 90 16.981 7.906 0.801 1.00 74.14 H new ATOM 0 HG23 VAL A 90 18.053 6.916 -0.216 1.00 74.14 H new ATOM 1320 N SER A 91 17.797 9.148 -3.710 1.00 72.32 N ATOM 1321 CA SER A 91 18.056 8.464 -4.985 1.00 63.01 C ATOM 1322 C SER A 91 19.554 8.607 -5.304 1.00 31.24 C ATOM 1323 O SER A 91 19.975 9.544 -5.989 1.00 3.40 O ATOM 1324 CB SER A 91 17.168 9.045 -6.114 1.00 33.34 C ATOM 1325 OG SER A 91 15.789 8.896 -5.813 1.00 50.25 O ATOM 0 H SER A 91 17.333 10.051 -3.811 1.00 72.32 H new ATOM 0 HA SER A 91 17.802 7.407 -4.907 1.00 63.01 H new ATOM 0 HB2 SER A 91 17.400 10.101 -6.255 1.00 33.34 H new ATOM 0 HB3 SER A 91 17.394 8.541 -7.054 1.00 33.34 H new ATOM 0 HG SER A 91 15.253 9.273 -6.542 1.00 50.25 H new ATOM 1331 N LYS A 92 20.360 7.713 -4.702 1.00 63.01 N ATOM 1332 CA LYS A 92 21.825 7.747 -4.782 1.00 41.22 C ATOM 1333 C LYS A 92 22.328 6.567 -5.637 1.00 43.31 C ATOM 1334 O LYS A 92 22.245 5.414 -5.197 1.00 44.32 O ATOM 1335 CB LYS A 92 22.459 7.672 -3.349 1.00 13.53 C ATOM 1336 CG LYS A 92 21.934 8.715 -2.330 1.00 1.12 C ATOM 1337 CD LYS A 92 22.163 10.180 -2.774 1.00 11.34 C ATOM 1338 CE LYS A 92 21.655 11.206 -1.743 1.00 14.44 C ATOM 1339 NZ LYS A 92 21.834 12.608 -2.212 1.00 61.14 N ATOM 0 H LYS A 92 20.004 6.939 -4.141 1.00 63.01 H new ATOM 0 HA LYS A 92 22.126 8.686 -5.246 1.00 41.22 H new ATOM 0 HB2 LYS A 92 22.283 6.675 -2.945 1.00 13.53 H new ATOM 0 HB3 LYS A 92 23.538 7.792 -3.442 1.00 13.53 H new ATOM 0 HG2 LYS A 92 20.867 8.553 -2.173 1.00 1.12 H new ATOM 0 HG3 LYS A 92 22.425 8.553 -1.371 1.00 1.12 H new ATOM 0 HD2 LYS A 92 23.228 10.340 -2.944 1.00 11.34 H new ATOM 0 HD3 LYS A 92 21.659 10.349 -3.726 1.00 11.34 H new ATOM 0 HE2 LYS A 92 20.599 11.024 -1.541 1.00 14.44 H new ATOM 0 HE3 LYS A 92 22.188 11.068 -0.802 1.00 14.44 H new ATOM 0 HZ1 LYS A 92 21.479 13.264 -1.488 1.00 61.14 H new ATOM 0 HZ2 LYS A 92 22.844 12.791 -2.380 1.00 61.14 H new ATOM 0 HZ3 LYS A 92 21.305 12.749 -3.096 1.00 61.14 H new ATOM 1353 N PRO A 93 22.799 6.816 -6.899 1.00 45.51 N ATOM 1354 CA PRO A 93 23.636 5.842 -7.632 1.00 33.25 C ATOM 1355 C PRO A 93 25.003 5.702 -6.919 1.00 24.02 C ATOM 1356 O PRO A 93 25.345 4.611 -6.464 1.00 13.22 O ATOM 1357 CB PRO A 93 23.746 6.446 -9.068 1.00 72.44 C ATOM 1358 CG PRO A 93 22.668 7.500 -9.138 1.00 44.24 C ATOM 1359 CD PRO A 93 22.521 8.023 -7.727 1.00 5.45 C ATOM 0 HA PRO A 93 23.227 4.833 -7.671 1.00 33.25 H new ATOM 0 HB2 PRO A 93 24.732 6.879 -9.239 1.00 72.44 H new ATOM 0 HB3 PRO A 93 23.598 5.680 -9.830 1.00 72.44 H new ATOM 0 HG2 PRO A 93 22.945 8.299 -9.826 1.00 44.24 H new ATOM 0 HG3 PRO A 93 21.730 7.079 -9.500 1.00 44.24 H new ATOM 0 HD2 PRO A 93 23.225 8.828 -7.518 1.00 5.45 H new ATOM 0 HD3 PRO A 93 21.522 8.418 -7.544 1.00 5.45 H new ATOM 1367 N GLN A 94 25.716 6.850 -6.801 1.00 63.24 N ATOM 1368 CA GLN A 94 26.959 7.020 -6.002 1.00 4.45 C ATOM 1369 C GLN A 94 27.426 8.497 -6.115 1.00 23.11 C ATOM 1370 O GLN A 94 27.153 9.297 -5.198 1.00 22.23 O ATOM 1371 CB GLN A 94 28.124 6.023 -6.398 1.00 40.22 C ATOM 1372 CG GLN A 94 28.290 4.836 -5.425 1.00 71.22 C ATOM 1373 CD GLN A 94 29.485 3.946 -5.746 1.00 20.43 C ATOM 1374 OE1 GLN A 94 30.589 4.169 -5.250 1.00 50.11 O ATOM 1375 NE2 GLN A 94 29.274 2.938 -6.569 1.00 21.23 N ATOM 1376 OXT GLN A 94 28.018 8.857 -7.146 1.00 37.77 O ATOM 0 H GLN A 94 25.435 7.710 -7.273 1.00 63.24 H new ATOM 0 HA GLN A 94 26.718 6.771 -4.969 1.00 4.45 H new ATOM 0 HB2 GLN A 94 27.933 5.636 -7.399 1.00 40.22 H new ATOM 0 HB3 GLN A 94 29.062 6.576 -6.444 1.00 40.22 H new ATOM 0 HG2 GLN A 94 28.396 5.221 -4.411 1.00 71.22 H new ATOM 0 HG3 GLN A 94 27.383 4.232 -5.444 1.00 71.22 H new ATOM 0 HE21 GLN A 94 28.345 2.785 -6.960 1.00 21.23 H new ATOM 0 HE22 GLN A 94 30.040 2.311 -6.814 1.00 21.23 H new TER 1385 GLN A 94 HETATM 1386 ZN ZN A 101 -6.635 -1.112 -5.578 1.00 72.45 ZN HETATM 1387 ZN ZN A 102 4.887 7.915 2.877 1.00 55.23 ZN