USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=23 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 82 CYS SG : rot -98:sc= -9.37! USER MOD Set 1.2: A 85 CYS SG : rot 6:sc= -3.43! USER MOD Set 2.1: A 52 SER OG : rot -52:sc= 0.335 USER MOD Set 2.2: A 65 THR OG1 : rot 180:sc= 0.213 USER MOD Set 3.1: A 37 MET CE :methyl 153:sc= -0.248 (180deg=-1.05) USER MOD Set 3.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 14 THR OG1 : rot 170:sc= -0.03 USER MOD Set 4.2: A 16 ASN : amide:sc= -0.0243 X(o=-0.054,f=-0.12) USER MOD Single : A 1 SER N :NH3+ -115:sc= 0.0893 (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 -147:sc= -0.0104 (180deg=-0.408) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 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 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.01) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.0781 X(o=-0.078,f=0.011) USER MOD Single : A 44 CYS SG : rot 117:sc= -4.04! USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 MET CE :methyl -142:sc= -0.572 (180deg=-2.98!) USER MOD Single : A 62 SER OG : rot 90:sc= -0.427 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 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 43.016 35.688 71.522 1.00 42.15 N ATOM 2 CA SER A 1 41.675 35.634 70.899 1.00 64.31 C ATOM 3 C SER A 1 41.748 36.037 69.420 1.00 12.15 C ATOM 4 O SER A 1 42.783 36.534 68.952 1.00 13.04 O ATOM 5 CB SER A 1 40.705 36.555 71.678 1.00 63.23 C ATOM 6 OG SER A 1 40.605 36.163 73.040 1.00 0.32 O ATOM 0 H1 SER A 1 43.306 34.730 71.805 1.00 42.15 H new ATOM 0 H2 SER A 1 43.701 36.070 70.839 1.00 42.15 H new ATOM 0 H3 SER A 1 42.985 36.302 72.361 1.00 42.15 H new ATOM 0 HA SER A 1 41.301 34.611 70.944 1.00 64.31 H new ATOM 0 HB2 SER A 1 41.052 37.586 71.619 1.00 63.23 H new ATOM 0 HB3 SER A 1 39.719 36.524 71.215 1.00 63.23 H new ATOM 0 HG SER A 1 39.987 36.763 73.508 1.00 0.32 H new ATOM 14 N HIS A 2 40.641 35.804 68.694 1.00 63.31 N ATOM 15 CA HIS A 2 40.521 36.144 67.268 1.00 21.31 C ATOM 16 C HIS A 2 40.358 37.668 67.094 1.00 41.14 C ATOM 17 O HIS A 2 39.237 38.199 67.109 1.00 4.53 O ATOM 18 CB HIS A 2 39.333 35.375 66.618 1.00 2.32 C ATOM 19 CG HIS A 2 39.445 33.868 66.666 1.00 10.51 C ATOM 20 ND1 HIS A 2 38.551 33.096 67.377 1.00 72.22 N ATOM 21 CD2 HIS A 2 40.332 33.048 66.048 1.00 43.13 C ATOM 22 CE1 HIS A 2 38.911 31.839 67.171 1.00 53.21 C ATOM 23 NE2 HIS A 2 39.981 31.766 66.372 1.00 32.42 N ATOM 0 H HIS A 2 39.802 35.373 69.082 1.00 63.31 H new ATOM 0 HA HIS A 2 41.435 35.839 66.758 1.00 21.31 H new ATOM 0 HB2 HIS A 2 38.411 35.672 67.118 1.00 2.32 H new ATOM 0 HB3 HIS A 2 39.245 35.685 65.577 1.00 2.32 H new ATOM 0 HD2 HIS A 2 41.157 33.350 65.420 1.00 43.13 H new ATOM 0 HE1 HIS A 2 38.406 30.983 67.594 1.00 53.21 H new ATOM 0 HE2 HIS A 2 40.448 30.914 66.062 1.00 32.42 H new ATOM 31 N MET A 3 41.495 38.376 66.986 1.00 62.20 N ATOM 32 CA MET A 3 41.519 39.826 66.749 1.00 54.42 C ATOM 33 C MET A 3 41.396 40.086 65.240 1.00 44.32 C ATOM 34 O MET A 3 42.400 40.196 64.513 1.00 72.42 O ATOM 35 CB MET A 3 42.802 40.469 67.348 1.00 25.11 C ATOM 36 CG MET A 3 42.914 42.009 67.238 1.00 45.35 C ATOM 37 SD MET A 3 41.652 42.918 68.176 1.00 73.41 S ATOM 38 CE MET A 3 40.326 43.163 66.986 1.00 63.20 C ATOM 0 H MET A 3 42.422 37.958 67.061 1.00 62.20 H new ATOM 0 HA MET A 3 40.674 40.294 67.254 1.00 54.42 H new ATOM 0 HB2 MET A 3 42.861 40.196 68.402 1.00 25.11 H new ATOM 0 HB3 MET A 3 43.668 40.027 66.855 1.00 25.11 H new ATOM 0 HG2 MET A 3 43.900 42.316 67.586 1.00 45.35 H new ATOM 0 HG3 MET A 3 42.844 42.293 66.188 1.00 45.35 H new ATOM 0 HE1 MET A 3 39.829 44.112 67.186 1.00 63.20 H new ATOM 0 HE2 MET A 3 40.740 43.175 65.978 1.00 63.20 H new ATOM 0 HE3 MET A 3 39.605 42.350 67.073 1.00 63.20 H new ATOM 48 N SER A 4 40.140 40.102 64.769 1.00 54.24 N ATOM 49 CA SER A 4 39.811 40.386 63.373 1.00 43.23 C ATOM 50 C SER A 4 39.930 41.901 63.108 1.00 50.22 C ATOM 51 O SER A 4 38.968 42.658 63.310 1.00 43.31 O ATOM 52 CB SER A 4 38.388 39.862 63.057 1.00 5.12 C ATOM 53 OG SER A 4 38.276 38.475 63.339 1.00 1.14 O ATOM 0 H SER A 4 39.324 39.917 65.352 1.00 54.24 H new ATOM 0 HA SER A 4 40.513 39.874 62.714 1.00 43.23 H new ATOM 0 HB2 SER A 4 37.655 40.415 63.645 1.00 5.12 H new ATOM 0 HB3 SER A 4 38.156 40.042 62.007 1.00 5.12 H new ATOM 0 HG SER A 4 37.367 38.171 63.132 1.00 1.14 H new ATOM 59 N GLY A 5 41.141 42.332 62.711 1.00 44.15 N ATOM 60 CA GLY A 5 41.431 43.741 62.425 1.00 72.44 C ATOM 61 C GLY A 5 41.008 44.129 61.014 1.00 15.25 C ATOM 62 O GLY A 5 41.842 44.533 60.197 1.00 32.21 O ATOM 0 H GLY A 5 41.941 41.712 62.581 1.00 44.15 H new ATOM 0 HA2 GLY A 5 40.913 44.373 63.147 1.00 72.44 H new ATOM 0 HA3 GLY A 5 42.498 43.925 62.548 1.00 72.44 H new ATOM 66 N GLY A 6 39.699 43.993 60.733 1.00 60.20 N ATOM 67 CA GLY A 6 39.128 44.280 59.416 1.00 62.12 C ATOM 68 C GLY A 6 37.829 45.047 59.555 1.00 21.10 C ATOM 69 O GLY A 6 36.946 44.616 60.307 1.00 41.31 O ATOM 0 H GLY A 6 39.011 43.680 61.418 1.00 60.20 H new ATOM 0 HA2 GLY A 6 39.837 44.859 58.824 1.00 62.12 H new ATOM 0 HA3 GLY A 6 38.951 43.348 58.879 1.00 62.12 H new ATOM 73 N SER A 7 37.718 46.184 58.846 1.00 14.21 N ATOM 74 CA SER A 7 36.547 47.080 58.925 1.00 12.50 C ATOM 75 C SER A 7 35.298 46.416 58.285 1.00 71.22 C ATOM 76 O SER A 7 35.402 45.871 57.180 1.00 55.24 O ATOM 77 CB SER A 7 36.874 48.417 58.225 1.00 72.40 C ATOM 78 OG SER A 7 38.054 48.987 58.764 1.00 52.10 O ATOM 0 H SER A 7 38.438 46.509 58.201 1.00 14.21 H new ATOM 0 HA SER A 7 36.318 47.272 59.973 1.00 12.50 H new ATOM 0 HB2 SER A 7 36.999 48.252 57.155 1.00 72.40 H new ATOM 0 HB3 SER A 7 36.041 49.110 58.345 1.00 72.40 H new ATOM 0 HG SER A 7 38.247 49.832 58.308 1.00 52.10 H new ATOM 84 N PRO A 8 34.101 46.424 58.976 1.00 72.14 N ATOM 85 CA PRO A 8 32.857 45.836 58.426 1.00 3.20 C ATOM 86 C PRO A 8 32.291 46.687 57.262 1.00 52.42 C ATOM 87 O PRO A 8 32.031 47.892 57.428 1.00 42.04 O ATOM 88 CB PRO A 8 31.878 45.810 59.648 1.00 63.31 C ATOM 89 CG PRO A 8 32.729 46.131 60.850 1.00 25.15 C ATOM 90 CD PRO A 8 33.856 46.994 60.324 1.00 32.11 C ATOM 0 HA PRO A 8 33.018 44.846 58.000 1.00 3.20 H new ATOM 0 HB2 PRO A 8 31.078 46.541 59.526 1.00 63.31 H new ATOM 0 HB3 PRO A 8 31.405 44.834 59.751 1.00 63.31 H new ATOM 0 HG2 PRO A 8 32.153 46.658 61.610 1.00 25.15 H new ATOM 0 HG3 PRO A 8 33.113 45.222 61.314 1.00 25.15 H new ATOM 0 HD2 PRO A 8 33.572 48.045 60.274 1.00 32.11 H new ATOM 0 HD3 PRO A 8 34.742 46.933 60.956 1.00 32.11 H new ATOM 98 N LEU A 9 32.152 46.057 56.085 1.00 25.20 N ATOM 99 CA LEU A 9 31.563 46.676 54.883 1.00 35.24 C ATOM 100 C LEU A 9 30.992 45.591 53.956 1.00 24.42 C ATOM 101 O LEU A 9 31.282 44.393 54.130 1.00 31.30 O ATOM 102 CB LEU A 9 32.615 47.595 54.167 1.00 61.31 C ATOM 103 CG LEU A 9 34.035 46.989 53.808 1.00 15.11 C ATOM 104 CD1 LEU A 9 33.997 46.029 52.598 1.00 62.33 C ATOM 105 CD2 LEU A 9 35.072 48.111 53.563 1.00 74.34 C ATOM 0 H LEU A 9 32.448 45.092 55.938 1.00 25.20 H new ATOM 0 HA LEU A 9 30.732 47.319 55.174 1.00 35.24 H new ATOM 0 HB2 LEU A 9 32.165 47.954 53.241 1.00 61.31 H new ATOM 0 HB3 LEU A 9 32.778 48.467 54.801 1.00 61.31 H new ATOM 0 HG LEU A 9 34.338 46.400 54.674 1.00 15.11 H new ATOM 0 HD11 LEU A 9 35.000 45.649 52.404 1.00 62.33 H new ATOM 0 HD12 LEU A 9 33.329 45.196 52.815 1.00 62.33 H new ATOM 0 HD13 LEU A 9 33.636 46.564 51.720 1.00 62.33 H new ATOM 0 HD21 LEU A 9 36.037 47.667 53.319 1.00 74.34 H new ATOM 0 HD22 LEU A 9 34.741 48.738 52.735 1.00 74.34 H new ATOM 0 HD23 LEU A 9 35.169 48.719 54.462 1.00 74.34 H new ATOM 117 N ALA A 10 30.181 46.021 52.976 1.00 24.41 N ATOM 118 CA ALA A 10 29.608 45.148 51.941 1.00 24.30 C ATOM 119 C ALA A 10 29.083 46.020 50.798 1.00 43.40 C ATOM 120 O ALA A 10 27.993 46.595 50.900 1.00 61.03 O ATOM 121 CB ALA A 10 28.489 44.244 52.503 1.00 43.31 C ATOM 0 H ALA A 10 29.902 46.997 52.880 1.00 24.41 H new ATOM 0 HA ALA A 10 30.388 44.483 51.571 1.00 24.30 H new ATOM 0 HB1 ALA A 10 28.094 43.616 51.705 1.00 43.31 H new ATOM 0 HB2 ALA A 10 28.894 43.613 53.295 1.00 43.31 H new ATOM 0 HB3 ALA A 10 27.689 44.864 52.907 1.00 43.31 H new ATOM 127 N THR A 11 29.897 46.165 49.739 1.00 34.44 N ATOM 128 CA THR A 11 29.535 46.935 48.549 1.00 74.14 C ATOM 129 C THR A 11 28.569 46.113 47.677 1.00 40.22 C ATOM 130 O THR A 11 28.997 45.261 46.886 1.00 61.52 O ATOM 131 CB THR A 11 30.819 47.351 47.742 1.00 51.25 C ATOM 132 OG1 THR A 11 31.720 48.040 48.622 1.00 30.43 O ATOM 133 CG2 THR A 11 30.500 48.267 46.546 1.00 64.31 C ATOM 0 H THR A 11 30.827 45.748 49.689 1.00 34.44 H new ATOM 0 HA THR A 11 29.032 47.852 48.856 1.00 74.14 H new ATOM 0 HB THR A 11 31.265 46.438 47.348 1.00 51.25 H new ATOM 0 HG1 THR A 11 32.524 48.302 48.127 1.00 30.43 H new ATOM 0 HG21 THR A 11 31.424 48.522 46.026 1.00 64.31 H new ATOM 0 HG22 THR A 11 29.829 47.750 45.860 1.00 64.31 H new ATOM 0 HG23 THR A 11 30.021 49.179 46.903 1.00 64.31 H new ATOM 141 N GLY A 12 27.260 46.317 47.915 1.00 22.41 N ATOM 142 CA GLY A 12 26.209 45.700 47.115 1.00 63.25 C ATOM 143 C GLY A 12 26.153 46.315 45.731 1.00 42.51 C ATOM 144 O GLY A 12 25.622 47.416 45.560 1.00 3.44 O ATOM 0 H GLY A 12 26.912 46.913 48.666 1.00 22.41 H new ATOM 0 HA2 GLY A 12 26.389 44.628 47.034 1.00 63.25 H new ATOM 0 HA3 GLY A 12 25.247 45.825 47.612 1.00 63.25 H new ATOM 148 N THR A 13 26.734 45.611 44.751 1.00 72.11 N ATOM 149 CA THR A 13 26.904 46.105 43.383 1.00 61.53 C ATOM 150 C THR A 13 26.615 44.972 42.378 1.00 55.21 C ATOM 151 O THR A 13 27.044 43.827 42.579 1.00 40.20 O ATOM 152 CB THR A 13 28.352 46.697 43.185 1.00 13.13 C ATOM 153 OG1 THR A 13 28.516 47.192 41.846 1.00 72.24 O ATOM 154 CG2 THR A 13 29.472 45.679 43.502 1.00 73.33 C ATOM 0 H THR A 13 27.103 44.670 44.890 1.00 72.11 H new ATOM 0 HA THR A 13 26.193 46.911 43.202 1.00 61.53 H new ATOM 0 HB THR A 13 28.447 47.515 43.899 1.00 13.13 H new ATOM 0 HG1 THR A 13 29.419 47.557 41.741 1.00 72.24 H new ATOM 0 HG21 THR A 13 30.444 46.147 43.346 1.00 73.33 H new ATOM 0 HG22 THR A 13 29.387 45.356 44.539 1.00 73.33 H new ATOM 0 HG23 THR A 13 29.376 44.816 42.844 1.00 73.33 H new ATOM 162 N THR A 14 25.856 45.303 41.316 1.00 33.11 N ATOM 163 CA THR A 14 25.472 44.362 40.258 1.00 63.41 C ATOM 164 C THR A 14 24.944 45.159 39.046 1.00 31.42 C ATOM 165 O THR A 14 24.024 45.981 39.182 1.00 22.41 O ATOM 166 CB THR A 14 24.406 43.311 40.765 1.00 2.25 C ATOM 167 OG1 THR A 14 24.022 42.421 39.708 1.00 52.52 O ATOM 168 CG2 THR A 14 23.146 43.966 41.373 1.00 12.12 C ATOM 0 H THR A 14 25.490 46.244 41.171 1.00 33.11 H new ATOM 0 HA THR A 14 26.350 43.789 39.959 1.00 63.41 H new ATOM 0 HB THR A 14 24.896 42.750 41.561 1.00 2.25 H new ATOM 0 HG1 THR A 14 23.490 41.685 40.077 1.00 52.52 H new ATOM 0 HG21 THR A 14 22.455 43.190 41.701 1.00 12.12 H new ATOM 0 HG22 THR A 14 23.432 44.582 42.226 1.00 12.12 H new ATOM 0 HG23 THR A 14 22.661 44.589 40.622 1.00 12.12 H new ATOM 176 N ALA A 15 25.576 44.968 37.876 1.00 62.54 N ATOM 177 CA ALA A 15 25.184 45.645 36.625 1.00 51.24 C ATOM 178 C ALA A 15 24.206 44.743 35.844 1.00 40.15 C ATOM 179 O ALA A 15 24.624 43.890 35.052 1.00 53.41 O ATOM 180 CB ALA A 15 26.426 45.999 35.780 1.00 43.42 C ATOM 0 H ALA A 15 26.373 44.340 37.769 1.00 62.54 H new ATOM 0 HA ALA A 15 24.681 46.583 36.862 1.00 51.24 H new ATOM 0 HB1 ALA A 15 26.112 46.497 34.863 1.00 43.42 H new ATOM 0 HB2 ALA A 15 27.076 46.663 36.349 1.00 43.42 H new ATOM 0 HB3 ALA A 15 26.968 45.087 35.530 1.00 43.42 H new ATOM 186 N ASN A 16 22.905 44.897 36.146 1.00 24.10 N ATOM 187 CA ASN A 16 21.810 44.148 35.501 1.00 31.12 C ATOM 188 C ASN A 16 20.780 45.133 34.946 1.00 73.10 C ATOM 189 O ASN A 16 20.471 46.146 35.589 1.00 35.14 O ATOM 190 CB ASN A 16 21.106 43.189 36.513 1.00 14.42 C ATOM 191 CG ASN A 16 21.971 42.020 36.984 1.00 33.23 C ATOM 192 OD1 ASN A 16 22.853 41.547 36.268 1.00 44.32 O ATOM 193 ND2 ASN A 16 21.718 41.528 38.190 1.00 51.04 N ATOM 0 H ASN A 16 22.579 45.554 36.855 1.00 24.10 H new ATOM 0 HA ASN A 16 22.236 43.549 34.696 1.00 31.12 H new ATOM 0 HB2 ASN A 16 20.792 43.766 37.383 1.00 14.42 H new ATOM 0 HB3 ASN A 16 20.202 42.793 36.050 1.00 14.42 H new ATOM 0 HD21 ASN A 16 22.260 40.740 38.543 1.00 51.04 H new ATOM 0 HD22 ASN A 16 20.981 41.938 38.764 1.00 51.04 H new ATOM 200 N THR A 17 20.260 44.822 33.753 1.00 42.43 N ATOM 201 CA THR A 17 19.098 45.505 33.167 1.00 73.01 C ATOM 202 C THR A 17 17.861 44.610 33.361 1.00 14.51 C ATOM 203 O THR A 17 17.998 43.386 33.548 1.00 1.34 O ATOM 204 CB THR A 17 19.326 45.834 31.646 1.00 5.13 C ATOM 205 OG1 THR A 17 18.294 46.716 31.179 1.00 65.12 O ATOM 206 CG2 THR A 17 19.369 44.561 30.759 1.00 63.03 C ATOM 0 H THR A 17 20.637 44.082 33.161 1.00 42.43 H new ATOM 0 HA THR A 17 18.948 46.460 33.671 1.00 73.01 H new ATOM 0 HB THR A 17 20.300 46.317 31.564 1.00 5.13 H new ATOM 0 HG1 THR A 17 18.441 46.919 30.232 1.00 65.12 H new ATOM 0 HG21 THR A 17 19.529 44.847 29.719 1.00 63.03 H new ATOM 0 HG22 THR A 17 20.184 43.916 31.087 1.00 63.03 H new ATOM 0 HG23 THR A 17 18.424 44.024 30.847 1.00 63.03 H new ATOM 214 N ARG A 18 16.658 45.209 33.348 1.00 63.13 N ATOM 215 CA ARG A 18 15.401 44.459 33.518 1.00 33.22 C ATOM 216 C ARG A 18 14.764 44.212 32.145 1.00 14.45 C ATOM 217 O ARG A 18 14.398 45.162 31.439 1.00 74.02 O ATOM 218 CB ARG A 18 14.424 45.205 34.473 1.00 74.00 C ATOM 219 CG ARG A 18 14.989 45.515 35.888 1.00 74.44 C ATOM 220 CD ARG A 18 15.648 44.303 36.575 1.00 52.42 C ATOM 221 NE ARG A 18 14.763 43.126 36.631 1.00 51.15 N ATOM 222 CZ ARG A 18 15.019 41.994 37.315 1.00 11.23 C ATOM 223 NH1 ARG A 18 16.137 41.853 38.031 1.00 74.33 N ATOM 224 NH2 ARG A 18 14.139 40.995 37.264 1.00 25.23 N ATOM 0 H ARG A 18 16.529 46.213 33.221 1.00 63.13 H new ATOM 0 HA ARG A 18 15.622 43.497 33.980 1.00 33.22 H new ATOM 0 HB2 ARG A 18 14.128 46.143 34.004 1.00 74.00 H new ATOM 0 HB3 ARG A 18 13.521 44.605 34.583 1.00 74.00 H new ATOM 0 HG2 ARG A 18 15.722 46.318 35.808 1.00 74.44 H new ATOM 0 HG3 ARG A 18 14.180 45.883 36.519 1.00 74.44 H new ATOM 0 HD2 ARG A 18 16.561 44.040 36.040 1.00 52.42 H new ATOM 0 HD3 ARG A 18 15.941 44.580 37.588 1.00 52.42 H new ATOM 0 HE ARG A 18 13.887 43.172 36.111 1.00 51.15 H new ATOM 0 HH11 ARG A 18 16.818 42.611 38.068 1.00 74.33 H new ATOM 0 HH12 ARG A 18 16.310 40.987 38.541 1.00 74.33 H new ATOM 0 HH21 ARG A 18 13.286 41.094 36.713 1.00 25.23 H new ATOM 0 HH22 ARG A 18 14.318 40.131 37.776 1.00 25.23 H new ATOM 238 N GLY A 19 14.666 42.929 31.774 1.00 13.21 N ATOM 239 CA GLY A 19 14.089 42.511 30.503 1.00 43.41 C ATOM 240 C GLY A 19 13.937 40.996 30.424 1.00 61.15 C ATOM 241 O GLY A 19 14.919 40.264 30.606 1.00 32.45 O ATOM 0 H GLY A 19 14.988 42.154 32.354 1.00 13.21 H new ATOM 0 HA2 GLY A 19 13.114 42.982 30.373 1.00 43.41 H new ATOM 0 HA3 GLY A 19 14.721 42.856 29.685 1.00 43.41 H new ATOM 245 N ALA A 20 12.704 40.527 30.166 1.00 52.14 N ATOM 246 CA ALA A 20 12.388 39.085 30.050 1.00 23.24 C ATOM 247 C ALA A 20 11.098 38.855 29.238 1.00 12.23 C ATOM 248 O ALA A 20 10.528 37.767 29.284 1.00 1.54 O ATOM 249 CB ALA A 20 12.293 38.443 31.452 1.00 51.13 C ATOM 0 H ALA A 20 11.895 41.134 30.031 1.00 52.14 H new ATOM 0 HA ALA A 20 13.199 38.601 29.506 1.00 23.24 H new ATOM 0 HB1 ALA A 20 12.060 37.383 31.352 1.00 51.13 H new ATOM 0 HB2 ALA A 20 13.245 38.558 31.970 1.00 51.13 H new ATOM 0 HB3 ALA A 20 11.507 38.935 32.025 1.00 51.13 H new ATOM 255 N SER A 21 10.699 39.855 28.419 1.00 4.33 N ATOM 256 CA SER A 21 9.439 39.821 27.623 1.00 53.52 C ATOM 257 C SER A 21 9.441 38.728 26.521 1.00 25.12 C ATOM 258 O SER A 21 8.412 38.479 25.884 1.00 31.23 O ATOM 259 CB SER A 21 9.187 41.219 26.996 1.00 14.13 C ATOM 260 OG SER A 21 9.110 42.229 27.998 1.00 13.32 O ATOM 0 H SER A 21 11.238 40.711 28.288 1.00 4.33 H new ATOM 0 HA SER A 21 8.631 39.562 28.308 1.00 53.52 H new ATOM 0 HB2 SER A 21 9.989 41.457 26.298 1.00 14.13 H new ATOM 0 HB3 SER A 21 8.260 41.201 26.423 1.00 14.13 H new ATOM 0 HG SER A 21 8.953 43.099 27.574 1.00 13.32 H new ATOM 266 N GLN A 22 10.599 38.077 26.320 1.00 21.11 N ATOM 267 CA GLN A 22 10.775 36.967 25.356 1.00 31.02 C ATOM 268 C GLN A 22 10.428 35.580 25.964 1.00 5.20 C ATOM 269 O GLN A 22 10.717 34.560 25.339 1.00 51.41 O ATOM 270 CB GLN A 22 12.232 37.019 24.767 1.00 43.31 C ATOM 271 CG GLN A 22 13.374 37.294 25.776 1.00 60.50 C ATOM 272 CD GLN A 22 13.643 36.173 26.780 1.00 50.24 C ATOM 273 OE1 GLN A 22 14.461 35.287 26.544 1.00 43.40 O ATOM 274 NE2 GLN A 22 12.968 36.206 27.917 1.00 3.20 N ATOM 0 H GLN A 22 11.454 38.307 26.827 1.00 21.11 H new ATOM 0 HA GLN A 22 10.063 37.101 24.542 1.00 31.02 H new ATOM 0 HB2 GLN A 22 12.435 36.069 24.273 1.00 43.31 H new ATOM 0 HB3 GLN A 22 12.262 37.791 23.998 1.00 43.31 H new ATOM 0 HG2 GLN A 22 14.290 37.488 25.218 1.00 60.50 H new ATOM 0 HG3 GLN A 22 13.138 38.204 26.327 1.00 60.50 H new ATOM 0 HE21 GLN A 22 12.294 36.952 28.089 1.00 3.20 H new ATOM 0 HE22 GLN A 22 13.121 35.485 28.622 1.00 3.20 H new ATOM 283 N LYS A 23 9.784 35.566 27.165 1.00 4.21 N ATOM 284 CA LYS A 23 9.395 34.337 27.918 1.00 53.21 C ATOM 285 C LYS A 23 8.693 33.251 27.050 1.00 24.34 C ATOM 286 O LYS A 23 9.290 32.213 26.732 1.00 1.43 O ATOM 287 CB LYS A 23 8.459 34.732 29.122 1.00 22.32 C ATOM 288 CG LYS A 23 9.160 35.234 30.423 1.00 44.43 C ATOM 289 CD LYS A 23 9.360 34.133 31.503 1.00 30.13 C ATOM 290 CE LYS A 23 10.216 32.948 31.036 1.00 32.40 C ATOM 291 NZ LYS A 23 10.417 31.942 32.117 1.00 43.35 N ATOM 0 H LYS A 23 9.515 36.424 27.646 1.00 4.21 H new ATOM 0 HA LYS A 23 10.325 33.890 28.271 1.00 53.21 H new ATOM 0 HB2 LYS A 23 7.777 35.511 28.781 1.00 22.32 H new ATOM 0 HB3 LYS A 23 7.850 33.865 29.377 1.00 22.32 H new ATOM 0 HG2 LYS A 23 10.132 35.651 30.161 1.00 44.43 H new ATOM 0 HG3 LYS A 23 8.570 36.045 30.851 1.00 44.43 H new ATOM 0 HD2 LYS A 23 9.826 34.580 32.381 1.00 30.13 H new ATOM 0 HD3 LYS A 23 8.383 33.762 31.814 1.00 30.13 H new ATOM 0 HE2 LYS A 23 9.738 32.470 30.181 1.00 32.40 H new ATOM 0 HE3 LYS A 23 11.185 33.313 30.696 1.00 32.40 H new ATOM 0 HZ1 LYS A 23 11.000 31.159 31.759 1.00 43.35 H new ATOM 0 HZ2 LYS A 23 10.897 32.390 32.923 1.00 43.35 H new ATOM 0 HZ3 LYS A 23 9.494 31.574 32.424 1.00 43.35 H new ATOM 305 N LYS A 24 7.427 33.511 26.680 1.00 73.23 N ATOM 306 CA LYS A 24 6.535 32.495 26.076 1.00 60.14 C ATOM 307 C LYS A 24 6.623 32.483 24.540 1.00 32.50 C ATOM 308 O LYS A 24 7.237 33.370 23.928 1.00 74.04 O ATOM 309 CB LYS A 24 5.072 32.735 26.553 1.00 53.34 C ATOM 310 CG LYS A 24 4.481 34.130 26.228 1.00 53.21 C ATOM 311 CD LYS A 24 3.045 34.307 26.779 1.00 13.44 C ATOM 312 CE LYS A 24 2.489 35.727 26.562 1.00 23.53 C ATOM 313 NZ LYS A 24 2.333 36.071 25.119 1.00 53.21 N ATOM 0 H LYS A 24 6.991 34.427 26.789 1.00 73.23 H new ATOM 0 HA LYS A 24 6.865 31.512 26.412 1.00 60.14 H new ATOM 0 HB2 LYS A 24 4.433 31.976 26.102 1.00 53.34 H new ATOM 0 HB3 LYS A 24 5.032 32.586 27.632 1.00 53.34 H new ATOM 0 HG2 LYS A 24 5.126 34.902 26.649 1.00 53.21 H new ATOM 0 HG3 LYS A 24 4.473 34.275 25.148 1.00 53.21 H new ATOM 0 HD2 LYS A 24 2.385 33.586 26.296 1.00 13.44 H new ATOM 0 HD3 LYS A 24 3.040 34.080 27.845 1.00 13.44 H new ATOM 0 HE2 LYS A 24 1.522 35.814 27.058 1.00 23.53 H new ATOM 0 HE3 LYS A 24 3.155 36.449 27.033 1.00 23.53 H new ATOM 0 HZ1 LYS A 24 1.956 37.036 25.031 1.00 53.21 H new ATOM 0 HZ2 LYS A 24 3.258 36.016 24.647 1.00 53.21 H new ATOM 0 HZ3 LYS A 24 1.676 35.401 24.671 1.00 53.21 H new ATOM 327 N GLY A 25 6.007 31.457 23.931 1.00 55.43 N ATOM 328 CA GLY A 25 5.953 31.318 22.480 1.00 63.01 C ATOM 329 C GLY A 25 4.735 30.521 22.056 1.00 1.24 C ATOM 330 O GLY A 25 4.339 29.564 22.746 1.00 54.30 O ATOM 0 H GLY A 25 5.536 30.706 24.436 1.00 55.43 H new ATOM 0 HA2 GLY A 25 5.926 32.305 22.017 1.00 63.01 H new ATOM 0 HA3 GLY A 25 6.857 30.824 22.124 1.00 63.01 H new ATOM 334 N GLY A 26 4.122 30.932 20.930 1.00 51.23 N ATOM 335 CA GLY A 26 2.892 30.325 20.428 1.00 74.43 C ATOM 336 C GLY A 26 3.150 28.973 19.772 1.00 23.02 C ATOM 337 O GLY A 26 3.351 28.898 18.557 1.00 0.00 O ATOM 0 H GLY A 26 4.471 31.694 20.349 1.00 51.23 H new ATOM 0 HA2 GLY A 26 2.187 30.201 21.250 1.00 74.43 H new ATOM 0 HA3 GLY A 26 2.425 30.995 19.706 1.00 74.43 H new ATOM 341 N GLU A 27 3.181 27.915 20.603 1.00 45.54 N ATOM 342 CA GLU A 27 3.400 26.522 20.167 1.00 1.33 C ATOM 343 C GLU A 27 2.054 25.894 19.728 1.00 74.24 C ATOM 344 O GLU A 27 1.198 25.630 20.583 1.00 41.25 O ATOM 345 CB GLU A 27 4.051 25.700 21.321 1.00 10.53 C ATOM 346 CG GLU A 27 5.414 26.252 21.786 1.00 11.24 C ATOM 347 CD GLU A 27 6.058 25.406 22.894 1.00 55.34 C ATOM 348 OE1 GLU A 27 6.608 24.327 22.587 1.00 23.15 O ATOM 349 OE2 GLU A 27 5.995 25.802 24.082 1.00 50.32 O ATOM 0 H GLU A 27 3.053 28.004 21.611 1.00 45.54 H new ATOM 0 HA GLU A 27 4.080 26.509 19.315 1.00 1.33 H new ATOM 0 HB2 GLU A 27 3.368 25.680 22.171 1.00 10.53 H new ATOM 0 HB3 GLU A 27 4.180 24.669 20.992 1.00 10.53 H new ATOM 0 HG2 GLU A 27 6.091 26.299 20.933 1.00 11.24 H new ATOM 0 HG3 GLU A 27 5.283 27.273 22.146 1.00 11.24 H new ATOM 356 N PRO A 28 1.834 25.668 18.388 1.00 15.24 N ATOM 357 CA PRO A 28 0.545 25.155 17.853 1.00 12.31 C ATOM 358 C PRO A 28 0.436 23.599 17.938 1.00 42.14 C ATOM 359 O PRO A 28 1.463 22.912 17.937 1.00 50.03 O ATOM 360 CB PRO A 28 0.592 25.649 16.386 1.00 34.31 C ATOM 361 CG PRO A 28 2.047 25.590 16.012 1.00 62.03 C ATOM 362 CD PRO A 28 2.826 25.884 17.286 1.00 60.54 C ATOM 0 HA PRO A 28 -0.323 25.503 18.412 1.00 12.31 H new ATOM 0 HB2 PRO A 28 -0.011 25.016 15.735 1.00 34.31 H new ATOM 0 HB3 PRO A 28 0.200 26.662 16.296 1.00 34.31 H new ATOM 0 HG2 PRO A 28 2.307 24.609 15.615 1.00 62.03 H new ATOM 0 HG3 PRO A 28 2.279 26.320 15.237 1.00 62.03 H new ATOM 0 HD2 PRO A 28 3.685 25.220 17.389 1.00 60.54 H new ATOM 0 HD3 PRO A 28 3.209 26.904 17.291 1.00 60.54 H new ATOM 370 N PRO A 29 -0.809 23.015 18.038 1.00 72.02 N ATOM 371 CA PRO A 29 -1.011 21.541 18.019 1.00 64.32 C ATOM 372 C PRO A 29 -0.790 20.943 16.609 1.00 61.23 C ATOM 373 O PRO A 29 -1.222 21.534 15.609 1.00 63.13 O ATOM 374 CB PRO A 29 -2.492 21.364 18.488 1.00 21.13 C ATOM 375 CG PRO A 29 -2.910 22.720 19.003 1.00 44.13 C ATOM 376 CD PRO A 29 -2.102 23.719 18.208 1.00 34.42 C ATOM 0 HA PRO A 29 -0.299 21.018 18.657 1.00 64.32 H new ATOM 0 HB2 PRO A 29 -3.130 21.042 17.665 1.00 21.13 H new ATOM 0 HB3 PRO A 29 -2.570 20.606 19.267 1.00 21.13 H new ATOM 0 HG2 PRO A 29 -3.979 22.880 18.864 1.00 44.13 H new ATOM 0 HG3 PRO A 29 -2.710 22.814 20.070 1.00 44.13 H new ATOM 0 HD2 PRO A 29 -2.569 23.949 17.250 1.00 34.42 H new ATOM 0 HD3 PRO A 29 -1.984 24.663 18.740 1.00 34.42 H new ATOM 384 N ALA A 30 -0.115 19.779 16.544 1.00 54.33 N ATOM 385 CA ALA A 30 0.131 19.062 15.280 1.00 62.33 C ATOM 386 C ALA A 30 -1.158 18.365 14.800 1.00 62.30 C ATOM 387 O ALA A 30 -1.514 17.294 15.294 1.00 71.12 O ATOM 388 CB ALA A 30 1.279 18.051 15.449 1.00 11.54 C ATOM 0 H ALA A 30 0.273 19.312 17.363 1.00 54.33 H new ATOM 0 HA ALA A 30 0.429 19.784 14.519 1.00 62.33 H new ATOM 0 HB1 ALA A 30 1.447 17.531 14.506 1.00 11.54 H new ATOM 0 HB2 ALA A 30 2.188 18.578 15.740 1.00 11.54 H new ATOM 0 HB3 ALA A 30 1.016 17.328 16.221 1.00 11.54 H new ATOM 394 N LEU A 31 -1.862 19.007 13.850 1.00 14.44 N ATOM 395 CA LEU A 31 -3.167 18.536 13.333 1.00 21.01 C ATOM 396 C LEU A 31 -3.014 17.913 11.931 1.00 5.53 C ATOM 397 O LEU A 31 -1.983 18.096 11.269 1.00 53.44 O ATOM 398 CB LEU A 31 -4.172 19.724 13.295 1.00 74.32 C ATOM 399 CG LEU A 31 -4.399 20.457 14.654 1.00 43.44 C ATOM 400 CD1 LEU A 31 -5.395 21.618 14.500 1.00 2.10 C ATOM 401 CD2 LEU A 31 -4.853 19.474 15.755 1.00 70.22 C ATOM 0 H LEU A 31 -1.543 19.872 13.415 1.00 14.44 H new ATOM 0 HA LEU A 31 -3.549 17.763 14.000 1.00 21.01 H new ATOM 0 HB2 LEU A 31 -3.819 20.452 12.564 1.00 74.32 H new ATOM 0 HB3 LEU A 31 -5.133 19.353 12.938 1.00 74.32 H new ATOM 0 HG LEU A 31 -3.443 20.879 14.964 1.00 43.44 H new ATOM 0 HD11 LEU A 31 -5.533 22.109 15.463 1.00 2.10 H new ATOM 0 HD12 LEU A 31 -5.007 22.337 13.778 1.00 2.10 H new ATOM 0 HD13 LEU A 31 -6.352 21.232 14.149 1.00 2.10 H new ATOM 0 HD21 LEU A 31 -5.002 20.017 16.688 1.00 70.22 H new ATOM 0 HD22 LEU A 31 -5.789 19.001 15.457 1.00 70.22 H new ATOM 0 HD23 LEU A 31 -4.089 18.710 15.898 1.00 70.22 H new ATOM 413 N ILE A 32 -4.042 17.154 11.505 1.00 51.21 N ATOM 414 CA ILE A 32 -4.119 16.560 10.152 1.00 21.01 C ATOM 415 C ILE A 32 -4.655 17.594 9.138 1.00 50.22 C ATOM 416 O ILE A 32 -5.529 18.405 9.471 1.00 3.54 O ATOM 417 CB ILE A 32 -5.025 15.262 10.135 1.00 51.45 C ATOM 418 CG1 ILE A 32 -6.442 15.562 10.739 1.00 31.32 C ATOM 419 CG2 ILE A 32 -4.323 14.092 10.862 1.00 21.50 C ATOM 420 CD1 ILE A 32 -7.354 14.354 10.913 1.00 34.12 C ATOM 0 H ILE A 32 -4.847 16.933 12.091 1.00 51.21 H new ATOM 0 HA ILE A 32 -3.109 16.268 9.864 1.00 21.01 H new ATOM 0 HB ILE A 32 -5.173 14.958 9.099 1.00 51.45 H new ATOM 0 HG12 ILE A 32 -6.309 16.037 11.711 1.00 31.32 H new ATOM 0 HG13 ILE A 32 -6.945 16.285 10.097 1.00 31.32 H new ATOM 0 HG21 ILE A 32 -4.964 13.211 10.837 1.00 21.50 H new ATOM 0 HG22 ILE A 32 -3.380 13.868 10.364 1.00 21.50 H new ATOM 0 HG23 ILE A 32 -4.129 14.371 11.898 1.00 21.50 H new ATOM 0 HD11 ILE A 32 -8.306 14.675 11.337 1.00 34.12 H new ATOM 0 HD12 ILE A 32 -7.528 13.887 9.944 1.00 34.12 H new ATOM 0 HD13 ILE A 32 -6.882 13.635 11.583 1.00 34.12 H new ATOM 432 N VAL A 33 -4.108 17.566 7.908 1.00 73.34 N ATOM 433 CA VAL A 33 -4.545 18.458 6.814 1.00 54.23 C ATOM 434 C VAL A 33 -5.871 17.986 6.196 1.00 64.45 C ATOM 435 O VAL A 33 -6.623 18.797 5.648 1.00 63.51 O ATOM 436 CB VAL A 33 -3.439 18.624 5.697 1.00 30.12 C ATOM 437 CG1 VAL A 33 -2.211 19.384 6.247 1.00 34.12 C ATOM 438 CG2 VAL A 33 -3.018 17.264 5.100 1.00 23.43 C ATOM 0 H VAL A 33 -3.356 16.930 7.644 1.00 73.34 H new ATOM 0 HA VAL A 33 -4.707 19.438 7.262 1.00 54.23 H new ATOM 0 HB VAL A 33 -3.877 19.213 4.891 1.00 30.12 H new ATOM 0 HG11 VAL A 33 -1.464 19.486 5.460 1.00 34.12 H new ATOM 0 HG12 VAL A 33 -2.518 20.373 6.587 1.00 34.12 H new ATOM 0 HG13 VAL A 33 -1.784 18.830 7.083 1.00 34.12 H new ATOM 0 HG21 VAL A 33 -2.257 17.422 4.336 1.00 23.43 H new ATOM 0 HG22 VAL A 33 -2.614 16.630 5.889 1.00 23.43 H new ATOM 0 HG23 VAL A 33 -3.885 16.779 4.653 1.00 23.43 H new ATOM 448 N ASP A 34 -6.158 16.671 6.288 1.00 12.23 N ATOM 449 CA ASP A 34 -7.439 16.086 5.837 1.00 0.04 C ATOM 450 C ASP A 34 -8.271 15.644 7.078 1.00 32.30 C ATOM 451 O ASP A 34 -8.002 14.597 7.680 1.00 0.41 O ATOM 452 CB ASP A 34 -7.205 14.925 4.813 1.00 22.14 C ATOM 453 CG ASP A 34 -6.502 13.674 5.377 1.00 2.14 C ATOM 454 OD1 ASP A 34 -5.387 13.802 5.915 1.00 33.43 O ATOM 455 OD2 ASP A 34 -7.045 12.551 5.242 1.00 42.15 O ATOM 0 H ASP A 34 -5.510 15.986 6.676 1.00 12.23 H new ATOM 0 HA ASP A 34 -8.016 16.840 5.301 1.00 0.04 H new ATOM 0 HB2 ASP A 34 -8.170 14.625 4.404 1.00 22.14 H new ATOM 0 HB3 ASP A 34 -6.613 15.310 3.983 1.00 22.14 H new ATOM 460 N PRO A 35 -9.281 16.481 7.512 1.00 70.04 N ATOM 461 CA PRO A 35 -10.077 16.223 8.746 1.00 31.33 C ATOM 462 C PRO A 35 -10.962 14.956 8.676 1.00 11.55 C ATOM 463 O PRO A 35 -11.277 14.361 9.717 1.00 71.41 O ATOM 464 CB PRO A 35 -10.935 17.509 8.898 1.00 5.24 C ATOM 465 CG PRO A 35 -11.014 18.090 7.518 1.00 24.15 C ATOM 466 CD PRO A 35 -9.692 17.763 6.861 1.00 30.21 C ATOM 0 HA PRO A 35 -9.428 16.023 9.598 1.00 31.33 H new ATOM 0 HB2 PRO A 35 -11.927 17.278 9.286 1.00 5.24 H new ATOM 0 HB3 PRO A 35 -10.475 18.210 9.595 1.00 5.24 H new ATOM 0 HG2 PRO A 35 -11.846 17.661 6.959 1.00 24.15 H new ATOM 0 HG3 PRO A 35 -11.177 19.167 7.555 1.00 24.15 H new ATOM 0 HD2 PRO A 35 -9.798 17.648 5.782 1.00 30.21 H new ATOM 0 HD3 PRO A 35 -8.957 18.550 7.027 1.00 30.21 H new ATOM 474 N LEU A 36 -11.348 14.543 7.449 1.00 53.03 N ATOM 475 CA LEU A 36 -12.232 13.373 7.239 1.00 34.52 C ATOM 476 C LEU A 36 -11.453 12.042 7.309 1.00 41.02 C ATOM 477 O LEU A 36 -12.077 10.978 7.410 1.00 74.43 O ATOM 478 CB LEU A 36 -13.009 13.477 5.884 1.00 50.01 C ATOM 479 CG LEU A 36 -14.128 14.579 5.774 1.00 75.32 C ATOM 480 CD1 LEU A 36 -15.104 14.513 6.966 1.00 25.04 C ATOM 481 CD2 LEU A 36 -13.544 16.001 5.590 1.00 42.34 C ATOM 0 H LEU A 36 -11.061 15.004 6.586 1.00 53.03 H new ATOM 0 HA LEU A 36 -12.957 13.380 8.053 1.00 34.52 H new ATOM 0 HB2 LEU A 36 -12.282 13.655 5.092 1.00 50.01 H new ATOM 0 HB3 LEU A 36 -13.468 12.509 5.684 1.00 50.01 H new ATOM 0 HG LEU A 36 -14.696 14.360 4.870 1.00 75.32 H new ATOM 0 HD11 LEU A 36 -15.863 15.288 6.858 1.00 25.04 H new ATOM 0 HD12 LEU A 36 -15.584 13.535 6.989 1.00 25.04 H new ATOM 0 HD13 LEU A 36 -14.555 14.670 7.895 1.00 25.04 H new ATOM 0 HD21 LEU A 36 -14.358 16.722 5.520 1.00 42.34 H new ATOM 0 HD22 LEU A 36 -12.913 16.248 6.443 1.00 42.34 H new ATOM 0 HD23 LEU A 36 -12.949 16.035 4.677 1.00 42.34 H new ATOM 493 N MET A 37 -10.103 12.120 7.256 1.00 74.44 N ATOM 494 CA MET A 37 -9.199 10.950 7.257 1.00 2.01 C ATOM 495 C MET A 37 -9.550 9.986 6.113 1.00 31.21 C ATOM 496 O MET A 37 -10.072 8.882 6.331 1.00 21.03 O ATOM 497 CB MET A 37 -9.173 10.220 8.631 1.00 61.44 C ATOM 498 CG MET A 37 -8.727 11.087 9.816 1.00 74.50 C ATOM 499 SD MET A 37 -8.436 10.110 11.308 1.00 23.34 S ATOM 500 CE MET A 37 -7.082 9.059 10.780 1.00 74.02 C ATOM 0 H MET A 37 -9.606 13.010 7.211 1.00 74.44 H new ATOM 0 HA MET A 37 -8.189 11.324 7.088 1.00 2.01 H new ATOM 0 HB2 MET A 37 -10.170 9.832 8.839 1.00 61.44 H new ATOM 0 HB3 MET A 37 -8.506 9.361 8.557 1.00 61.44 H new ATOM 0 HG2 MET A 37 -7.815 11.621 9.550 1.00 74.50 H new ATOM 0 HG3 MET A 37 -9.489 11.840 10.020 1.00 74.50 H new ATOM 0 HE1 MET A 37 -6.489 8.767 11.647 1.00 74.02 H new ATOM 0 HE2 MET A 37 -7.481 8.167 10.296 1.00 74.02 H new ATOM 0 HE3 MET A 37 -6.452 9.603 10.076 1.00 74.02 H new ATOM 510 N LYS A 38 -9.308 10.445 4.881 1.00 64.31 N ATOM 511 CA LYS A 38 -9.711 9.719 3.675 1.00 41.14 C ATOM 512 C LYS A 38 -8.641 8.700 3.265 1.00 15.13 C ATOM 513 O LYS A 38 -7.563 9.073 2.790 1.00 4.21 O ATOM 514 CB LYS A 38 -10.025 10.711 2.524 1.00 11.33 C ATOM 515 CG LYS A 38 -11.239 11.635 2.790 1.00 20.43 C ATOM 516 CD LYS A 38 -12.541 10.849 3.079 1.00 20.25 C ATOM 517 CE LYS A 38 -12.967 9.935 1.919 1.00 22.50 C ATOM 518 NZ LYS A 38 -14.105 9.052 2.294 1.00 74.03 N ATOM 0 H LYS A 38 -8.830 11.326 4.693 1.00 64.31 H new ATOM 0 HA LYS A 38 -10.622 9.163 3.894 1.00 41.14 H new ATOM 0 HB2 LYS A 38 -9.146 11.329 2.343 1.00 11.33 H new ATOM 0 HB3 LYS A 38 -10.209 10.144 1.612 1.00 11.33 H new ATOM 0 HG2 LYS A 38 -11.017 12.284 3.637 1.00 20.43 H new ATOM 0 HG3 LYS A 38 -11.394 12.281 1.926 1.00 20.43 H new ATOM 0 HD2 LYS A 38 -12.402 10.246 3.976 1.00 20.25 H new ATOM 0 HD3 LYS A 38 -13.344 11.555 3.291 1.00 20.25 H new ATOM 0 HE2 LYS A 38 -13.249 10.545 1.061 1.00 22.50 H new ATOM 0 HE3 LYS A 38 -12.120 9.323 1.610 1.00 22.50 H new ATOM 0 HZ1 LYS A 38 -14.361 8.452 1.484 1.00 74.03 H new ATOM 0 HZ2 LYS A 38 -13.828 8.451 3.096 1.00 74.03 H new ATOM 0 HZ3 LYS A 38 -14.922 9.635 2.565 1.00 74.03 H new ATOM 532 N TYR A 39 -8.941 7.408 3.504 1.00 13.41 N ATOM 533 CA TYR A 39 -8.141 6.286 3.011 1.00 11.21 C ATOM 534 C TYR A 39 -8.490 6.049 1.532 1.00 24.33 C ATOM 535 O TYR A 39 -9.341 5.216 1.196 1.00 75.41 O ATOM 536 CB TYR A 39 -8.387 5.011 3.861 1.00 44.35 C ATOM 537 CG TYR A 39 -8.088 5.198 5.353 1.00 72.31 C ATOM 538 CD1 TYR A 39 -6.790 5.077 5.847 1.00 61.23 C ATOM 539 CD2 TYR A 39 -9.108 5.493 6.267 1.00 20.41 C ATOM 540 CE1 TYR A 39 -6.520 5.265 7.189 1.00 44.13 C ATOM 541 CE2 TYR A 39 -8.833 5.687 7.606 1.00 31.10 C ATOM 542 CZ TYR A 39 -7.544 5.560 8.062 1.00 34.01 C ATOM 543 OH TYR A 39 -7.266 5.759 9.402 1.00 45.44 O ATOM 0 H TYR A 39 -9.753 7.119 4.050 1.00 13.41 H new ATOM 0 HA TYR A 39 -7.081 6.524 3.099 1.00 11.21 H new ATOM 0 HB2 TYR A 39 -9.426 4.702 3.744 1.00 44.35 H new ATOM 0 HB3 TYR A 39 -7.768 4.202 3.474 1.00 44.35 H new ATOM 0 HD1 TYR A 39 -5.984 4.833 5.171 1.00 61.23 H new ATOM 0 HD2 TYR A 39 -10.127 5.570 5.918 1.00 20.41 H new ATOM 0 HE1 TYR A 39 -5.507 5.181 7.553 1.00 44.13 H new ATOM 0 HE2 TYR A 39 -9.629 5.938 8.292 1.00 31.10 H new ATOM 0 HH TYR A 39 -8.097 5.959 9.882 1.00 45.44 H new ATOM 553 N ILE A 40 -7.905 6.879 0.672 1.00 74.04 N ATOM 554 CA ILE A 40 -8.084 6.804 -0.779 1.00 11.53 C ATOM 555 C ILE A 40 -6.819 6.201 -1.390 1.00 72.43 C ATOM 556 O ILE A 40 -5.709 6.696 -1.152 1.00 23.55 O ATOM 557 CB ILE A 40 -8.377 8.234 -1.380 1.00 72.41 C ATOM 558 CG1 ILE A 40 -9.752 8.764 -0.861 1.00 22.01 C ATOM 559 CG2 ILE A 40 -8.320 8.244 -2.928 1.00 63.31 C ATOM 560 CD1 ILE A 40 -10.102 10.185 -1.281 1.00 22.04 C ATOM 0 H ILE A 40 -7.285 7.633 0.966 1.00 74.04 H new ATOM 0 HA ILE A 40 -8.941 6.173 -1.015 1.00 11.53 H new ATOM 0 HB ILE A 40 -7.589 8.905 -1.037 1.00 72.41 H new ATOM 0 HG12 ILE A 40 -10.537 8.095 -1.213 1.00 22.01 H new ATOM 0 HG13 ILE A 40 -9.755 8.713 0.228 1.00 22.01 H new ATOM 0 HG21 ILE A 40 -8.528 9.250 -3.293 1.00 63.31 H new ATOM 0 HG22 ILE A 40 -7.328 7.937 -3.258 1.00 63.31 H new ATOM 0 HG23 ILE A 40 -9.064 7.553 -3.324 1.00 63.31 H new ATOM 0 HD11 ILE A 40 -11.074 10.457 -0.870 1.00 22.04 H new ATOM 0 HD12 ILE A 40 -9.344 10.873 -0.905 1.00 22.04 H new ATOM 0 HD13 ILE A 40 -10.139 10.244 -2.369 1.00 22.04 H new ATOM 572 N CYS A 41 -6.991 5.111 -2.145 1.00 62.14 N ATOM 573 CA CYS A 41 -5.907 4.478 -2.881 1.00 42.23 C ATOM 574 C CYS A 41 -5.519 5.368 -4.068 1.00 64.32 C ATOM 575 O CYS A 41 -6.303 5.528 -5.008 1.00 41.33 O ATOM 576 CB CYS A 41 -6.347 3.087 -3.342 1.00 22.51 C ATOM 577 SG CYS A 41 -5.064 2.134 -4.214 1.00 11.04 S ATOM 0 H CYS A 41 -7.892 4.646 -2.259 1.00 62.14 H new ATOM 0 HA CYS A 41 -5.032 4.359 -2.242 1.00 42.23 H new ATOM 0 HB2 CYS A 41 -6.675 2.518 -2.472 1.00 22.51 H new ATOM 0 HB3 CYS A 41 -7.211 3.193 -3.998 1.00 22.51 H new ATOM 582 N HIS A 42 -4.304 5.942 -4.005 1.00 1.21 N ATOM 583 CA HIS A 42 -3.818 6.948 -4.985 1.00 35.42 C ATOM 584 C HIS A 42 -3.544 6.353 -6.402 1.00 22.43 C ATOM 585 O HIS A 42 -3.131 7.090 -7.308 1.00 14.31 O ATOM 586 CB HIS A 42 -2.556 7.678 -4.423 1.00 71.24 C ATOM 587 CG HIS A 42 -2.794 8.604 -3.261 1.00 14.41 C ATOM 588 ND1 HIS A 42 -1.830 9.478 -2.801 1.00 73.21 N ATOM 589 CD2 HIS A 42 -3.881 8.819 -2.483 1.00 1.22 C ATOM 590 CE1 HIS A 42 -2.316 10.189 -1.808 1.00 55.24 C ATOM 591 NE2 HIS A 42 -3.556 9.813 -1.595 1.00 75.24 N ATOM 0 H HIS A 42 -3.626 5.726 -3.275 1.00 1.21 H new ATOM 0 HA HIS A 42 -4.622 7.672 -5.121 1.00 35.42 H new ATOM 0 HB2 HIS A 42 -1.830 6.924 -4.119 1.00 71.24 H new ATOM 0 HB3 HIS A 42 -2.101 8.251 -5.231 1.00 71.24 H new ATOM 0 HD2 HIS A 42 -4.828 8.304 -2.549 1.00 1.22 H new ATOM 0 HE1 HIS A 42 -1.785 10.953 -1.260 1.00 55.24 H new ATOM 0 HE2 HIS A 42 -4.178 10.198 -0.884 1.00 75.24 H new ATOM 600 N ILE A 43 -3.798 5.038 -6.595 1.00 13.33 N ATOM 601 CA ILE A 43 -3.693 4.359 -7.909 1.00 62.32 C ATOM 602 C ILE A 43 -5.091 3.902 -8.400 1.00 44.00 C ATOM 603 O ILE A 43 -5.358 3.879 -9.610 1.00 14.25 O ATOM 604 CB ILE A 43 -2.672 3.140 -7.845 1.00 34.00 C ATOM 605 CG1 ILE A 43 -1.247 3.674 -7.496 1.00 50.21 C ATOM 606 CG2 ILE A 43 -2.647 2.326 -9.171 1.00 34.21 C ATOM 607 CD1 ILE A 43 -0.168 2.617 -7.351 1.00 53.25 C ATOM 0 H ILE A 43 -4.083 4.414 -5.840 1.00 13.33 H new ATOM 0 HA ILE A 43 -3.301 5.074 -8.632 1.00 62.32 H new ATOM 0 HB ILE A 43 -3.007 2.457 -7.064 1.00 34.00 H new ATOM 0 HG12 ILE A 43 -0.941 4.376 -8.272 1.00 50.21 H new ATOM 0 HG13 ILE A 43 -1.307 4.236 -6.564 1.00 50.21 H new ATOM 0 HG21 ILE A 43 -1.936 1.505 -9.080 1.00 34.21 H new ATOM 0 HG22 ILE A 43 -3.641 1.925 -9.371 1.00 34.21 H new ATOM 0 HG23 ILE A 43 -2.346 2.977 -9.992 1.00 34.21 H new ATOM 0 HD11 ILE A 43 0.781 3.096 -7.109 1.00 53.25 H new ATOM 0 HD12 ILE A 43 -0.440 1.926 -6.553 1.00 53.25 H new ATOM 0 HD13 ILE A 43 -0.068 2.068 -8.287 1.00 53.25 H new ATOM 619 N CYS A 44 -6.006 3.596 -7.456 1.00 42.44 N ATOM 620 CA CYS A 44 -7.345 3.053 -7.783 1.00 10.51 C ATOM 621 C CYS A 44 -8.422 4.156 -7.842 1.00 72.14 C ATOM 622 O CYS A 44 -9.461 3.965 -8.491 1.00 23.15 O ATOM 623 CB CYS A 44 -7.739 1.998 -6.730 1.00 71.13 C ATOM 624 SG CYS A 44 -6.498 0.676 -6.514 1.00 15.24 S ATOM 0 H CYS A 44 -5.842 3.716 -6.456 1.00 42.44 H new ATOM 0 HA CYS A 44 -7.288 2.599 -8.772 1.00 10.51 H new ATOM 0 HB2 CYS A 44 -7.898 2.495 -5.773 1.00 71.13 H new ATOM 0 HB3 CYS A 44 -8.689 1.548 -7.017 1.00 71.13 H new ATOM 0 HG CYS A 44 -6.030 0.714 -5.302 1.00 15.24 H new ATOM 629 N ASN A 45 -8.161 5.281 -7.136 1.00 55.41 N ATOM 630 CA ASN A 45 -9.147 6.357 -6.818 1.00 62.02 C ATOM 631 C ASN A 45 -10.161 5.888 -5.752 1.00 40.11 C ATOM 632 O ASN A 45 -10.394 6.581 -4.763 1.00 61.05 O ATOM 633 CB ASN A 45 -9.867 6.927 -8.081 1.00 73.31 C ATOM 634 CG ASN A 45 -10.807 8.094 -7.766 1.00 1.03 C ATOM 635 OD1 ASN A 45 -10.388 9.249 -7.734 1.00 40.31 O ATOM 636 ND2 ASN A 45 -12.080 7.811 -7.527 1.00 53.44 N ATOM 0 H ASN A 45 -7.234 5.477 -6.758 1.00 55.41 H new ATOM 0 HA ASN A 45 -8.572 7.185 -6.402 1.00 62.02 H new ATOM 0 HB2 ASN A 45 -9.117 7.257 -8.800 1.00 73.31 H new ATOM 0 HB3 ASN A 45 -10.436 6.129 -8.557 1.00 73.31 H new ATOM 0 HD21 ASN A 45 -12.737 8.560 -7.310 1.00 53.44 H new ATOM 0 HD22 ASN A 45 -12.402 6.844 -7.560 1.00 53.44 H new ATOM 643 N ARG A 46 -10.764 4.719 -5.986 1.00 31.22 N ATOM 644 CA ARG A 46 -11.730 4.099 -5.071 1.00 40.15 C ATOM 645 C ARG A 46 -11.023 3.473 -3.847 1.00 14.35 C ATOM 646 O ARG A 46 -10.065 2.687 -3.993 1.00 4.45 O ATOM 647 CB ARG A 46 -12.593 3.048 -5.837 1.00 32.00 C ATOM 648 CG ARG A 46 -11.796 2.035 -6.706 1.00 21.14 C ATOM 649 CD ARG A 46 -12.699 1.128 -7.566 1.00 53.40 C ATOM 650 NE ARG A 46 -11.922 0.348 -8.560 1.00 24.35 N ATOM 651 CZ ARG A 46 -12.421 -0.622 -9.351 1.00 12.54 C ATOM 652 NH1 ARG A 46 -13.699 -0.981 -9.279 1.00 3.44 N ATOM 653 NH2 ARG A 46 -11.628 -1.224 -10.234 1.00 52.42 N ATOM 0 H ARG A 46 -10.593 4.168 -6.827 1.00 31.22 H new ATOM 0 HA ARG A 46 -12.395 4.874 -4.690 1.00 40.15 H new ATOM 0 HB2 ARG A 46 -13.185 2.491 -5.111 1.00 32.00 H new ATOM 0 HB3 ARG A 46 -13.295 3.579 -6.480 1.00 32.00 H new ATOM 0 HG2 ARG A 46 -11.116 2.583 -7.358 1.00 21.14 H new ATOM 0 HG3 ARG A 46 -11.182 1.413 -6.055 1.00 21.14 H new ATOM 0 HD2 ARG A 46 -13.248 0.444 -6.918 1.00 53.40 H new ATOM 0 HD3 ARG A 46 -13.438 1.739 -8.083 1.00 53.40 H new ATOM 0 HE ARG A 46 -10.929 0.563 -8.652 1.00 24.35 H new ATOM 0 HH11 ARG A 46 -14.322 -0.520 -8.616 1.00 3.44 H new ATOM 0 HH12 ARG A 46 -14.057 -1.718 -9.887 1.00 3.44 H new ATOM 0 HH21 ARG A 46 -10.648 -0.950 -10.309 1.00 52.42 H new ATOM 0 HH22 ARG A 46 -12.000 -1.959 -10.836 1.00 52.42 H new ATOM 667 N GLY A 47 -11.500 3.834 -2.638 1.00 63.21 N ATOM 668 CA GLY A 47 -11.065 3.217 -1.373 1.00 32.30 C ATOM 669 C GLY A 47 -12.036 2.134 -0.929 1.00 3.42 C ATOM 670 O GLY A 47 -12.347 1.991 0.265 1.00 74.51 O ATOM 0 H GLY A 47 -12.201 4.565 -2.514 1.00 63.21 H new ATOM 0 HA2 GLY A 47 -10.070 2.789 -1.497 1.00 32.30 H new ATOM 0 HA3 GLY A 47 -10.989 3.981 -0.599 1.00 32.30 H new ATOM 674 N ASP A 48 -12.487 1.360 -1.936 1.00 61.24 N ATOM 675 CA ASP A 48 -13.514 0.316 -1.815 1.00 15.21 C ATOM 676 C ASP A 48 -13.031 -0.814 -0.898 1.00 72.34 C ATOM 677 O ASP A 48 -13.700 -1.179 0.079 1.00 43.01 O ATOM 678 CB ASP A 48 -13.848 -0.221 -3.240 1.00 22.12 C ATOM 679 CG ASP A 48 -14.921 -1.326 -3.250 1.00 73.44 C ATOM 680 OD1 ASP A 48 -16.128 -0.994 -3.230 1.00 13.40 O ATOM 681 OD2 ASP A 48 -14.561 -2.524 -3.311 1.00 24.05 O ATOM 0 H ASP A 48 -12.131 1.451 -2.888 1.00 61.24 H new ATOM 0 HA ASP A 48 -14.415 0.734 -1.366 1.00 15.21 H new ATOM 0 HB2 ASP A 48 -14.187 0.608 -3.861 1.00 22.12 H new ATOM 0 HB3 ASP A 48 -12.937 -0.608 -3.696 1.00 22.12 H new ATOM 686 N VAL A 49 -11.843 -1.343 -1.222 1.00 11.13 N ATOM 687 CA VAL A 49 -11.203 -2.421 -0.458 1.00 71.14 C ATOM 688 C VAL A 49 -10.266 -1.808 0.615 1.00 1.04 C ATOM 689 O VAL A 49 -9.041 -1.807 0.466 1.00 70.05 O ATOM 690 CB VAL A 49 -10.410 -3.402 -1.401 1.00 24.31 C ATOM 691 CG1 VAL A 49 -9.949 -4.653 -0.636 1.00 74.43 C ATOM 692 CG2 VAL A 49 -11.241 -3.803 -2.633 1.00 40.23 C ATOM 0 H VAL A 49 -11.297 -1.033 -2.026 1.00 11.13 H new ATOM 0 HA VAL A 49 -11.979 -3.006 0.036 1.00 71.14 H new ATOM 0 HB VAL A 49 -9.528 -2.866 -1.752 1.00 24.31 H new ATOM 0 HG11 VAL A 49 -9.404 -5.312 -1.312 1.00 74.43 H new ATOM 0 HG12 VAL A 49 -9.297 -4.357 0.186 1.00 74.43 H new ATOM 0 HG13 VAL A 49 -10.818 -5.178 -0.239 1.00 74.43 H new ATOM 0 HG21 VAL A 49 -10.660 -4.480 -3.259 1.00 40.23 H new ATOM 0 HG22 VAL A 49 -12.154 -4.302 -2.309 1.00 40.23 H new ATOM 0 HG23 VAL A 49 -11.498 -2.911 -3.204 1.00 40.23 H new ATOM 702 N GLU A 50 -10.861 -1.242 1.679 1.00 61.35 N ATOM 703 CA GLU A 50 -10.104 -0.586 2.769 1.00 75.41 C ATOM 704 C GLU A 50 -9.326 -1.631 3.609 1.00 5.04 C ATOM 705 O GLU A 50 -8.235 -1.347 4.116 1.00 61.21 O ATOM 706 CB GLU A 50 -11.063 0.230 3.673 1.00 65.11 C ATOM 707 CG GLU A 50 -10.354 1.075 4.758 1.00 11.34 C ATOM 708 CD GLU A 50 -11.323 1.740 5.742 1.00 5.30 C ATOM 709 OE1 GLU A 50 -11.842 1.032 6.635 1.00 52.40 O ATOM 710 OE2 GLU A 50 -11.577 2.962 5.629 1.00 54.30 O ATOM 0 H GLU A 50 -11.872 -1.224 1.811 1.00 61.35 H new ATOM 0 HA GLU A 50 -9.380 0.095 2.321 1.00 75.41 H new ATOM 0 HB2 GLU A 50 -11.659 0.893 3.045 1.00 65.11 H new ATOM 0 HB3 GLU A 50 -11.756 -0.456 4.160 1.00 65.11 H new ATOM 0 HG2 GLU A 50 -9.666 0.437 5.313 1.00 11.34 H new ATOM 0 HG3 GLU A 50 -9.754 1.846 4.274 1.00 11.34 H new ATOM 717 N GLU A 51 -9.896 -2.844 3.723 1.00 43.31 N ATOM 718 CA GLU A 51 -9.320 -3.950 4.522 1.00 61.13 C ATOM 719 C GLU A 51 -7.956 -4.433 3.966 1.00 40.41 C ATOM 720 O GLU A 51 -7.063 -4.796 4.740 1.00 1.22 O ATOM 721 CB GLU A 51 -10.328 -5.122 4.572 1.00 12.42 C ATOM 722 CG GLU A 51 -11.707 -4.759 5.166 1.00 33.01 C ATOM 723 CD GLU A 51 -12.741 -5.872 4.944 1.00 31.42 C ATOM 724 OE1 GLU A 51 -13.369 -5.894 3.866 1.00 51.13 O ATOM 725 OE2 GLU A 51 -12.903 -6.746 5.820 1.00 51.14 O ATOM 0 H GLU A 51 -10.773 -3.090 3.263 1.00 43.31 H new ATOM 0 HA GLU A 51 -9.133 -3.575 5.528 1.00 61.13 H new ATOM 0 HB2 GLU A 51 -10.472 -5.504 3.561 1.00 12.42 H new ATOM 0 HB3 GLU A 51 -9.895 -5.931 5.160 1.00 12.42 H new ATOM 0 HG2 GLU A 51 -11.603 -4.569 6.234 1.00 33.01 H new ATOM 0 HG3 GLU A 51 -12.066 -3.835 4.712 1.00 33.01 H new ATOM 732 N SER A 52 -7.795 -4.417 2.625 1.00 54.44 N ATOM 733 CA SER A 52 -6.527 -4.823 1.959 1.00 13.22 C ATOM 734 C SER A 52 -5.724 -3.570 1.541 1.00 15.51 C ATOM 735 O SER A 52 -4.841 -3.636 0.683 1.00 5.23 O ATOM 736 CB SER A 52 -6.831 -5.739 0.737 1.00 0.12 C ATOM 737 OG SER A 52 -5.676 -6.430 0.276 1.00 14.30 O ATOM 0 H SER A 52 -8.527 -4.127 1.976 1.00 54.44 H new ATOM 0 HA SER A 52 -5.918 -5.394 2.660 1.00 13.22 H new ATOM 0 HB2 SER A 52 -7.599 -6.463 1.011 1.00 0.12 H new ATOM 0 HB3 SER A 52 -7.237 -5.135 -0.074 1.00 0.12 H new ATOM 0 HG SER A 52 -4.952 -5.788 0.117 1.00 14.30 H new ATOM 743 N MET A 53 -6.038 -2.427 2.181 1.00 52.33 N ATOM 744 CA MET A 53 -5.326 -1.157 1.988 1.00 72.14 C ATOM 745 C MET A 53 -4.433 -0.893 3.206 1.00 34.32 C ATOM 746 O MET A 53 -4.845 -1.127 4.347 1.00 61.13 O ATOM 747 CB MET A 53 -6.334 0.006 1.795 1.00 42.33 C ATOM 748 CG MET A 53 -5.704 1.392 1.606 1.00 65.44 C ATOM 749 SD MET A 53 -6.929 2.713 1.548 1.00 74.10 S ATOM 750 CE MET A 53 -7.944 2.226 0.158 1.00 5.01 C ATOM 0 H MET A 53 -6.802 -2.363 2.853 1.00 52.33 H new ATOM 0 HA MET A 53 -4.709 -1.221 1.092 1.00 72.14 H new ATOM 0 HB2 MET A 53 -6.956 -0.214 0.927 1.00 42.33 H new ATOM 0 HB3 MET A 53 -6.995 0.040 2.661 1.00 42.33 H new ATOM 0 HG2 MET A 53 -5.007 1.584 2.422 1.00 65.44 H new ATOM 0 HG3 MET A 53 -5.124 1.400 0.683 1.00 65.44 H new ATOM 0 HE1 MET A 53 -8.240 3.112 -0.404 1.00 5.01 H new ATOM 0 HE2 MET A 53 -7.377 1.557 -0.490 1.00 5.01 H new ATOM 0 HE3 MET A 53 -8.834 1.712 0.520 1.00 5.01 H new ATOM 760 N LEU A 54 -3.215 -0.421 2.943 1.00 30.51 N ATOM 761 CA LEU A 54 -2.232 -0.065 3.969 1.00 44.44 C ATOM 762 C LEU A 54 -2.099 1.469 4.065 1.00 72.51 C ATOM 763 O LEU A 54 -2.410 2.202 3.115 1.00 4.21 O ATOM 764 CB LEU A 54 -0.872 -0.731 3.647 1.00 53.53 C ATOM 765 CG LEU A 54 -0.849 -2.291 3.620 1.00 22.10 C ATOM 766 CD1 LEU A 54 0.524 -2.813 3.162 1.00 64.34 C ATOM 767 CD2 LEU A 54 -1.225 -2.883 4.991 1.00 72.45 C ATOM 0 H LEU A 54 -2.876 -0.272 1.993 1.00 30.51 H new ATOM 0 HA LEU A 54 -2.568 -0.433 4.938 1.00 44.44 H new ATOM 0 HB2 LEU A 54 -0.536 -0.368 2.676 1.00 53.53 H new ATOM 0 HB3 LEU A 54 -0.143 -0.392 4.383 1.00 53.53 H new ATOM 0 HG LEU A 54 -1.598 -2.617 2.899 1.00 22.10 H new ATOM 0 HD11 LEU A 54 0.514 -3.903 3.152 1.00 64.34 H new ATOM 0 HD12 LEU A 54 0.738 -2.443 2.159 1.00 64.34 H new ATOM 0 HD13 LEU A 54 1.294 -2.464 3.850 1.00 64.34 H new ATOM 0 HD21 LEU A 54 -1.199 -3.971 4.937 1.00 72.45 H new ATOM 0 HD22 LEU A 54 -0.514 -2.540 5.743 1.00 72.45 H new ATOM 0 HD23 LEU A 54 -2.228 -2.557 5.265 1.00 72.45 H new ATOM 779 N LEU A 55 -1.631 1.932 5.229 1.00 2.14 N ATOM 780 CA LEU A 55 -1.512 3.356 5.567 1.00 62.34 C ATOM 781 C LEU A 55 -0.074 3.602 6.069 1.00 2.04 C ATOM 782 O LEU A 55 0.500 2.764 6.790 1.00 1.44 O ATOM 783 CB LEU A 55 -2.612 3.716 6.631 1.00 61.21 C ATOM 784 CG LEU A 55 -2.850 5.234 7.013 1.00 74.43 C ATOM 785 CD1 LEU A 55 -1.790 5.798 7.977 1.00 34.52 C ATOM 786 CD2 LEU A 55 -2.997 6.122 5.751 1.00 5.13 C ATOM 0 H LEU A 55 -1.318 1.315 5.979 1.00 2.14 H new ATOM 0 HA LEU A 55 -1.681 4.004 4.707 1.00 62.34 H new ATOM 0 HB2 LEU A 55 -3.560 3.316 6.271 1.00 61.21 H new ATOM 0 HB3 LEU A 55 -2.368 3.181 7.549 1.00 61.21 H new ATOM 0 HG LEU A 55 -3.794 5.259 7.558 1.00 74.43 H new ATOM 0 HD11 LEU A 55 -2.015 6.842 8.195 1.00 34.52 H new ATOM 0 HD12 LEU A 55 -1.798 5.224 8.903 1.00 34.52 H new ATOM 0 HD13 LEU A 55 -0.805 5.728 7.516 1.00 34.52 H new ATOM 0 HD21 LEU A 55 -3.159 7.157 6.051 1.00 5.13 H new ATOM 0 HD22 LEU A 55 -2.089 6.056 5.152 1.00 5.13 H new ATOM 0 HD23 LEU A 55 -3.847 5.778 5.161 1.00 5.13 H new ATOM 798 N CYS A 56 0.503 4.743 5.661 1.00 34.13 N ATOM 799 CA CYS A 56 1.887 5.113 5.985 1.00 22.13 C ATOM 800 C CYS A 56 2.000 5.743 7.377 1.00 54.34 C ATOM 801 O CYS A 56 1.312 6.723 7.679 1.00 30.30 O ATOM 802 CB CYS A 56 2.431 6.084 4.935 1.00 51.03 C ATOM 803 SG CYS A 56 2.527 5.367 3.283 1.00 44.53 S ATOM 0 H CYS A 56 0.018 5.438 5.094 1.00 34.13 H new ATOM 0 HA CYS A 56 2.479 4.198 5.983 1.00 22.13 H new ATOM 0 HB2 CYS A 56 1.794 6.968 4.903 1.00 51.03 H new ATOM 0 HB3 CYS A 56 3.424 6.417 5.238 1.00 51.03 H new ATOM 808 N ASP A 57 2.880 5.172 8.206 1.00 30.20 N ATOM 809 CA ASP A 57 3.250 5.742 9.511 1.00 70.11 C ATOM 810 C ASP A 57 4.065 7.046 9.339 1.00 11.01 C ATOM 811 O ASP A 57 3.991 7.954 10.179 1.00 32.41 O ATOM 812 CB ASP A 57 4.067 4.702 10.327 1.00 33.14 C ATOM 813 CG ASP A 57 4.367 5.182 11.764 1.00 72.34 C ATOM 814 OD1 ASP A 57 3.476 5.064 12.633 1.00 33.40 O ATOM 815 OD2 ASP A 57 5.487 5.680 12.033 1.00 11.24 O ATOM 0 H ASP A 57 3.359 4.297 7.992 1.00 30.20 H new ATOM 0 HA ASP A 57 2.335 5.986 10.051 1.00 70.11 H new ATOM 0 HB2 ASP A 57 3.515 3.763 10.369 1.00 33.14 H new ATOM 0 HB3 ASP A 57 5.006 4.497 9.812 1.00 33.14 H new ATOM 820 N GLY A 58 4.849 7.106 8.242 1.00 51.32 N ATOM 821 CA GLY A 58 5.701 8.259 7.938 1.00 44.11 C ATOM 822 C GLY A 58 4.986 9.335 7.130 1.00 3.03 C ATOM 823 O GLY A 58 4.590 10.372 7.669 1.00 4.42 O ATOM 0 H GLY A 58 4.904 6.358 7.551 1.00 51.32 H new ATOM 0 HA2 GLY A 58 6.061 8.693 8.871 1.00 44.11 H new ATOM 0 HA3 GLY A 58 6.577 7.920 7.385 1.00 44.11 H new ATOM 827 N CYS A 59 4.800 9.060 5.824 1.00 33.20 N ATOM 828 CA CYS A 59 4.175 10.000 4.865 1.00 14.53 C ATOM 829 C CYS A 59 2.637 9.946 4.931 1.00 13.44 C ATOM 830 O CYS A 59 2.069 9.223 5.747 1.00 41.15 O ATOM 831 CB CYS A 59 4.667 9.670 3.440 1.00 5.43 C ATOM 832 SG CYS A 59 4.172 8.029 2.841 1.00 11.20 S ATOM 0 H CYS A 59 5.080 8.176 5.400 1.00 33.20 H new ATOM 0 HA CYS A 59 4.471 11.014 5.133 1.00 14.53 H new ATOM 0 HB2 CYS A 59 4.286 10.425 2.753 1.00 5.43 H new ATOM 0 HB3 CYS A 59 5.755 9.739 3.418 1.00 5.43 H new ATOM 837 N ASP A 60 1.967 10.745 4.082 1.00 55.40 N ATOM 838 CA ASP A 60 0.496 10.843 4.026 1.00 62.40 C ATOM 839 C ASP A 60 -0.017 10.312 2.668 1.00 41.12 C ATOM 840 O ASP A 60 0.157 10.971 1.641 1.00 30.15 O ATOM 841 CB ASP A 60 0.112 12.331 4.266 1.00 21.34 C ATOM 842 CG ASP A 60 -1.360 12.687 3.969 1.00 53.15 C ATOM 843 OD1 ASP A 60 -2.221 12.574 4.863 1.00 12.31 O ATOM 844 OD2 ASP A 60 -1.650 13.132 2.824 1.00 73.53 O ATOM 0 H ASP A 60 2.437 11.348 3.407 1.00 55.40 H new ATOM 0 HA ASP A 60 0.027 10.230 4.796 1.00 62.40 H new ATOM 0 HB2 ASP A 60 0.327 12.582 5.305 1.00 21.34 H new ATOM 0 HB3 ASP A 60 0.753 12.959 3.647 1.00 21.34 H new ATOM 849 N ASP A 61 -0.554 9.074 2.690 1.00 53.33 N ATOM 850 CA ASP A 61 -1.157 8.388 1.512 1.00 54.11 C ATOM 851 C ASP A 61 -1.713 7.028 1.944 1.00 73.52 C ATOM 852 O ASP A 61 -1.329 6.487 2.988 1.00 40.22 O ATOM 853 CB ASP A 61 -0.151 8.171 0.327 1.00 23.15 C ATOM 854 CG ASP A 61 1.166 7.563 0.763 1.00 70.25 C ATOM 855 OD1 ASP A 61 1.246 6.362 0.938 1.00 31.23 O ATOM 856 OD2 ASP A 61 2.163 8.258 0.961 1.00 22.04 O ATOM 0 H ASP A 61 -0.585 8.508 3.538 1.00 53.33 H new ATOM 0 HA ASP A 61 -1.947 9.043 1.145 1.00 54.11 H new ATOM 0 HB2 ASP A 61 -0.613 7.524 -0.419 1.00 23.15 H new ATOM 0 HB3 ASP A 61 0.041 9.128 -0.157 1.00 23.15 H new ATOM 861 N SER A 62 -2.609 6.484 1.107 1.00 43.42 N ATOM 862 CA SER A 62 -3.142 5.124 1.246 1.00 22.03 C ATOM 863 C SER A 62 -3.000 4.383 -0.098 1.00 45.35 C ATOM 864 O SER A 62 -3.152 4.985 -1.177 1.00 24.13 O ATOM 865 CB SER A 62 -4.610 5.166 1.723 1.00 43.10 C ATOM 866 OG SER A 62 -4.749 5.895 2.931 1.00 12.32 O ATOM 0 H SER A 62 -2.988 6.985 0.304 1.00 43.42 H new ATOM 0 HA SER A 62 -2.574 4.581 2.001 1.00 22.03 H new ATOM 0 HB2 SER A 62 -5.231 5.620 0.951 1.00 43.10 H new ATOM 0 HB3 SER A 62 -4.975 4.149 1.868 1.00 43.10 H new ATOM 0 HG SER A 62 -4.914 6.839 2.726 1.00 12.32 H new ATOM 872 N TYR A 63 -2.690 3.071 -0.027 1.00 62.54 N ATOM 873 CA TYR A 63 -2.498 2.208 -1.217 1.00 54.11 C ATOM 874 C TYR A 63 -2.983 0.791 -0.918 1.00 15.14 C ATOM 875 O TYR A 63 -2.736 0.280 0.172 1.00 65.42 O ATOM 876 CB TYR A 63 -0.995 2.146 -1.626 1.00 22.22 C ATOM 877 CG TYR A 63 -0.464 3.428 -2.286 1.00 43.23 C ATOM 878 CD1 TYR A 63 -0.685 3.678 -3.638 1.00 42.14 C ATOM 879 CD2 TYR A 63 0.233 4.393 -1.550 1.00 70.42 C ATOM 880 CE1 TYR A 63 -0.229 4.835 -4.230 1.00 30.33 C ATOM 881 CE2 TYR A 63 0.681 5.554 -2.149 1.00 71.43 C ATOM 882 CZ TYR A 63 0.453 5.766 -3.483 1.00 11.54 C ATOM 883 OH TYR A 63 0.896 6.926 -4.077 1.00 23.44 O ATOM 0 H TYR A 63 -2.565 2.578 0.857 1.00 62.54 H new ATOM 0 HA TYR A 63 -3.074 2.637 -2.037 1.00 54.11 H new ATOM 0 HB2 TYR A 63 -0.398 1.934 -0.739 1.00 22.22 H new ATOM 0 HB3 TYR A 63 -0.852 1.312 -2.313 1.00 22.22 H new ATOM 0 HD1 TYR A 63 -1.222 2.953 -4.232 1.00 42.14 H new ATOM 0 HD2 TYR A 63 0.423 4.228 -0.500 1.00 70.42 H new ATOM 0 HE1 TYR A 63 -0.407 5.011 -5.281 1.00 30.33 H new ATOM 0 HE2 TYR A 63 1.210 6.294 -1.567 1.00 71.43 H new ATOM 0 HH TYR A 63 1.358 7.478 -3.412 1.00 23.44 H new ATOM 893 N HIS A 64 -3.660 0.156 -1.886 1.00 70.31 N ATOM 894 CA HIS A 64 -4.010 -1.278 -1.779 1.00 45.24 C ATOM 895 C HIS A 64 -2.743 -2.103 -2.026 1.00 44.10 C ATOM 896 O HIS A 64 -1.926 -1.720 -2.864 1.00 11.40 O ATOM 897 CB HIS A 64 -5.072 -1.709 -2.815 1.00 35.41 C ATOM 898 CG HIS A 64 -6.366 -0.968 -2.762 1.00 13.41 C ATOM 899 ND1 HIS A 64 -6.874 -0.335 -3.875 1.00 54.23 N ATOM 900 CD2 HIS A 64 -7.258 -0.897 -1.762 1.00 12.41 C ATOM 901 CE1 HIS A 64 -8.085 0.084 -3.509 1.00 24.52 C ATOM 902 NE2 HIS A 64 -8.349 -0.235 -2.244 1.00 60.44 N ATOM 0 H HIS A 64 -3.976 0.603 -2.747 1.00 70.31 H new ATOM 0 HA HIS A 64 -4.424 -1.445 -0.784 1.00 45.24 H new ATOM 0 HB2 HIS A 64 -4.648 -1.592 -3.812 1.00 35.41 H new ATOM 0 HB3 HIS A 64 -5.277 -2.771 -2.678 1.00 35.41 H new ATOM 0 HD2 HIS A 64 -7.135 -1.290 -0.764 1.00 12.41 H new ATOM 0 HE1 HIS A 64 -8.766 0.615 -4.157 1.00 24.52 H new ATOM 0 HE2 HIS A 64 -9.205 -0.024 -1.732 1.00 60.44 H new ATOM 910 N THR A 65 -2.619 -3.222 -1.320 1.00 65.01 N ATOM 911 CA THR A 65 -1.497 -4.157 -1.472 1.00 1.13 C ATOM 912 C THR A 65 -1.408 -4.702 -2.915 1.00 21.24 C ATOM 913 O THR A 65 -0.338 -4.704 -3.530 1.00 1.14 O ATOM 914 CB THR A 65 -1.671 -5.335 -0.467 1.00 20.23 C ATOM 915 OG1 THR A 65 -2.962 -5.946 -0.650 1.00 52.22 O ATOM 916 CG2 THR A 65 -1.542 -4.864 0.988 1.00 20.42 C ATOM 0 H THR A 65 -3.299 -3.513 -0.618 1.00 65.01 H new ATOM 0 HA THR A 65 -0.571 -3.623 -1.262 1.00 1.13 H new ATOM 0 HB THR A 65 -0.879 -6.057 -0.666 1.00 20.23 H new ATOM 0 HG1 THR A 65 -3.066 -6.687 -0.017 1.00 52.22 H new ATOM 0 HG21 THR A 65 -1.669 -5.714 1.658 1.00 20.42 H new ATOM 0 HG22 THR A 65 -0.556 -4.425 1.142 1.00 20.42 H new ATOM 0 HG23 THR A 65 -2.309 -4.118 1.198 1.00 20.42 H new ATOM 924 N PHE A 66 -2.572 -5.122 -3.439 1.00 74.13 N ATOM 925 CA PHE A 66 -2.699 -5.709 -4.781 1.00 4.24 C ATOM 926 C PHE A 66 -2.501 -4.676 -5.913 1.00 75.52 C ATOM 927 O PHE A 66 -2.116 -5.065 -7.018 1.00 32.24 O ATOM 928 CB PHE A 66 -4.062 -6.450 -4.927 1.00 44.23 C ATOM 929 CG PHE A 66 -5.315 -5.609 -4.650 1.00 64.00 C ATOM 930 CD1 PHE A 66 -5.919 -4.860 -5.665 1.00 75.42 C ATOM 931 CD2 PHE A 66 -5.901 -5.586 -3.379 1.00 22.44 C ATOM 932 CE1 PHE A 66 -7.059 -4.119 -5.420 1.00 53.13 C ATOM 933 CE2 PHE A 66 -7.044 -4.848 -3.140 1.00 4.53 C ATOM 934 CZ PHE A 66 -7.621 -4.115 -4.160 1.00 15.34 C ATOM 0 H PHE A 66 -3.458 -5.062 -2.937 1.00 74.13 H new ATOM 0 HA PHE A 66 -1.891 -6.433 -4.887 1.00 4.24 H new ATOM 0 HB2 PHE A 66 -4.131 -6.847 -5.940 1.00 44.23 H new ATOM 0 HB3 PHE A 66 -4.064 -7.304 -4.249 1.00 44.23 H new ATOM 0 HD1 PHE A 66 -5.488 -4.861 -6.655 1.00 75.42 H new ATOM 0 HD2 PHE A 66 -5.454 -6.152 -2.575 1.00 22.44 H new ATOM 0 HE1 PHE A 66 -7.510 -3.543 -6.215 1.00 53.13 H new ATOM 0 HE2 PHE A 66 -7.487 -4.844 -2.155 1.00 4.53 H new ATOM 0 HZ PHE A 66 -8.514 -3.538 -3.970 1.00 15.34 H new ATOM 944 N CYS A 67 -2.741 -3.363 -5.636 1.00 34.02 N ATOM 945 CA CYS A 67 -2.623 -2.293 -6.678 1.00 70.55 C ATOM 946 C CYS A 67 -1.254 -1.590 -6.614 1.00 71.31 C ATOM 947 O CYS A 67 -1.086 -0.474 -7.116 1.00 51.23 O ATOM 948 CB CYS A 67 -3.761 -1.259 -6.552 1.00 33.23 C ATOM 949 SG CYS A 67 -3.633 -0.144 -5.126 1.00 33.43 S ATOM 0 H CYS A 67 -3.014 -3.020 -4.715 1.00 34.02 H new ATOM 0 HA CYS A 67 -2.709 -2.782 -7.648 1.00 70.55 H new ATOM 0 HB2 CYS A 67 -3.788 -0.659 -7.462 1.00 33.23 H new ATOM 0 HB3 CYS A 67 -4.710 -1.792 -6.493 1.00 33.23 H new ATOM 954 N LEU A 68 -0.281 -2.273 -6.005 1.00 71.45 N ATOM 955 CA LEU A 68 1.128 -1.845 -5.964 1.00 15.55 C ATOM 956 C LEU A 68 1.974 -2.759 -6.857 1.00 42.54 C ATOM 957 O LEU A 68 1.549 -3.862 -7.208 1.00 33.53 O ATOM 958 CB LEU A 68 1.635 -1.865 -4.494 1.00 12.42 C ATOM 959 CG LEU A 68 1.057 -0.742 -3.580 1.00 14.34 C ATOM 960 CD1 LEU A 68 1.361 -1.018 -2.093 1.00 0.34 C ATOM 961 CD2 LEU A 68 1.599 0.634 -4.009 1.00 1.32 C ATOM 0 H LEU A 68 -0.448 -3.153 -5.518 1.00 71.45 H new ATOM 0 HA LEU A 68 1.217 -0.827 -6.343 1.00 15.55 H new ATOM 0 HB2 LEU A 68 1.390 -2.832 -4.055 1.00 12.42 H new ATOM 0 HB3 LEU A 68 2.722 -1.784 -4.500 1.00 12.42 H new ATOM 0 HG LEU A 68 -0.027 -0.735 -3.697 1.00 14.34 H new ATOM 0 HD11 LEU A 68 0.945 -0.217 -1.482 1.00 0.34 H new ATOM 0 HD12 LEU A 68 0.913 -1.968 -1.800 1.00 0.34 H new ATOM 0 HD13 LEU A 68 2.440 -1.064 -1.945 1.00 0.34 H new ATOM 0 HD21 LEU A 68 1.185 1.406 -3.360 1.00 1.32 H new ATOM 0 HD22 LEU A 68 2.686 0.638 -3.930 1.00 1.32 H new ATOM 0 HD23 LEU A 68 1.310 0.833 -5.041 1.00 1.32 H new ATOM 973 N LEU A 69 3.161 -2.271 -7.265 1.00 51.53 N ATOM 974 CA LEU A 69 4.153 -3.068 -8.012 1.00 74.11 C ATOM 975 C LEU A 69 5.522 -2.980 -7.295 1.00 33.34 C ATOM 976 O LEU A 69 6.096 -1.893 -7.220 1.00 33.54 O ATOM 977 CB LEU A 69 4.244 -2.605 -9.498 1.00 24.34 C ATOM 978 CG LEU A 69 3.008 -2.955 -10.387 1.00 21.44 C ATOM 979 CD1 LEU A 69 3.157 -2.391 -11.813 1.00 64.12 C ATOM 980 CD2 LEU A 69 2.762 -4.480 -10.416 1.00 72.54 C ATOM 0 H LEU A 69 3.459 -1.312 -7.086 1.00 51.53 H new ATOM 0 HA LEU A 69 3.837 -4.111 -8.031 1.00 74.11 H new ATOM 0 HB2 LEU A 69 4.388 -1.525 -9.516 1.00 24.34 H new ATOM 0 HB3 LEU A 69 5.131 -3.053 -9.946 1.00 24.34 H new ATOM 0 HG LEU A 69 2.136 -2.480 -9.938 1.00 21.44 H new ATOM 0 HD11 LEU A 69 2.279 -2.654 -12.402 1.00 64.12 H new ATOM 0 HD12 LEU A 69 3.251 -1.306 -11.767 1.00 64.12 H new ATOM 0 HD13 LEU A 69 4.047 -2.813 -12.280 1.00 64.12 H new ATOM 0 HD21 LEU A 69 1.896 -4.697 -11.042 1.00 72.54 H new ATOM 0 HD22 LEU A 69 3.639 -4.982 -10.824 1.00 72.54 H new ATOM 0 HD23 LEU A 69 2.577 -4.838 -9.403 1.00 72.54 H new ATOM 992 N PRO A 70 6.075 -4.111 -6.724 1.00 41.52 N ATOM 993 CA PRO A 70 5.422 -5.452 -6.705 1.00 74.32 C ATOM 994 C PRO A 70 4.253 -5.532 -5.668 1.00 23.24 C ATOM 995 O PRO A 70 4.345 -4.927 -4.588 1.00 44.33 O ATOM 996 CB PRO A 70 6.595 -6.394 -6.332 1.00 43.13 C ATOM 997 CG PRO A 70 7.507 -5.553 -5.487 1.00 35.24 C ATOM 998 CD PRO A 70 7.410 -4.146 -6.052 1.00 4.15 C ATOM 0 HA PRO A 70 4.946 -5.707 -7.652 1.00 74.32 H new ATOM 0 HB2 PRO A 70 6.242 -7.268 -5.784 1.00 43.13 H new ATOM 0 HB3 PRO A 70 7.106 -6.761 -7.222 1.00 43.13 H new ATOM 0 HG2 PRO A 70 7.203 -5.576 -4.440 1.00 35.24 H new ATOM 0 HG3 PRO A 70 8.532 -5.922 -5.530 1.00 35.24 H new ATOM 0 HD2 PRO A 70 7.479 -3.395 -5.265 1.00 4.15 H new ATOM 0 HD3 PRO A 70 8.216 -3.944 -6.757 1.00 4.15 H new ATOM 1006 N PRO A 71 3.118 -6.246 -6.002 1.00 3.54 N ATOM 1007 CA PRO A 71 1.943 -6.337 -5.107 1.00 63.30 C ATOM 1008 C PRO A 71 2.257 -7.138 -3.831 1.00 63.33 C ATOM 1009 O PRO A 71 2.858 -8.226 -3.898 1.00 42.30 O ATOM 1010 CB PRO A 71 0.871 -7.041 -5.981 1.00 72.00 C ATOM 1011 CG PRO A 71 1.658 -7.831 -6.984 1.00 5.23 C ATOM 1012 CD PRO A 71 2.901 -7.010 -7.264 1.00 64.42 C ATOM 0 HA PRO A 71 1.615 -5.363 -4.745 1.00 63.30 H new ATOM 0 HB2 PRO A 71 0.232 -7.688 -5.380 1.00 72.00 H new ATOM 0 HB3 PRO A 71 0.220 -6.316 -6.470 1.00 72.00 H new ATOM 0 HG2 PRO A 71 1.918 -8.814 -6.592 1.00 5.23 H new ATOM 0 HG3 PRO A 71 1.082 -7.993 -7.895 1.00 5.23 H new ATOM 0 HD2 PRO A 71 3.755 -7.645 -7.498 1.00 64.42 H new ATOM 0 HD3 PRO A 71 2.757 -6.344 -8.115 1.00 64.42 H new ATOM 1020 N LEU A 72 1.853 -6.596 -2.670 1.00 0.12 N ATOM 1021 CA LEU A 72 2.128 -7.202 -1.363 1.00 14.23 C ATOM 1022 C LEU A 72 1.075 -8.284 -1.068 1.00 73.22 C ATOM 1023 O LEU A 72 0.119 -8.066 -0.317 1.00 4.04 O ATOM 1024 CB LEU A 72 2.176 -6.104 -0.262 1.00 24.24 C ATOM 1025 CG LEU A 72 3.139 -4.902 -0.541 1.00 2.44 C ATOM 1026 CD1 LEU A 72 3.058 -3.851 0.581 1.00 74.31 C ATOM 1027 CD2 LEU A 72 4.597 -5.374 -0.763 1.00 21.50 C ATOM 0 H LEU A 72 1.326 -5.724 -2.615 1.00 0.12 H new ATOM 0 HA LEU A 72 3.105 -7.685 -1.373 1.00 14.23 H new ATOM 0 HB2 LEU A 72 1.168 -5.713 -0.121 1.00 24.24 H new ATOM 0 HB3 LEU A 72 2.471 -6.571 0.678 1.00 24.24 H new ATOM 0 HG LEU A 72 2.808 -4.430 -1.466 1.00 2.44 H new ATOM 0 HD11 LEU A 72 3.738 -3.029 0.359 1.00 74.31 H new ATOM 0 HD12 LEU A 72 2.039 -3.471 0.650 1.00 74.31 H new ATOM 0 HD13 LEU A 72 3.340 -4.309 1.529 1.00 74.31 H new ATOM 0 HD21 LEU A 72 5.234 -4.510 -0.954 1.00 21.50 H new ATOM 0 HD22 LEU A 72 4.950 -5.896 0.126 1.00 21.50 H new ATOM 0 HD23 LEU A 72 4.635 -6.048 -1.618 1.00 21.50 H new ATOM 1039 N THR A 73 1.249 -9.442 -1.734 1.00 70.22 N ATOM 1040 CA THR A 73 0.414 -10.639 -1.540 1.00 34.43 C ATOM 1041 C THR A 73 0.500 -11.124 -0.074 1.00 23.12 C ATOM 1042 O THR A 73 -0.481 -11.612 0.505 1.00 24.14 O ATOM 1043 CB THR A 73 0.856 -11.759 -2.534 1.00 21.44 C ATOM 1044 OG1 THR A 73 2.266 -12.023 -2.377 1.00 20.03 O ATOM 1045 CG2 THR A 73 0.578 -11.361 -3.998 1.00 44.42 C ATOM 0 H THR A 73 1.983 -9.572 -2.430 1.00 70.22 H new ATOM 0 HA THR A 73 -0.627 -10.389 -1.746 1.00 34.43 H new ATOM 0 HB THR A 73 0.276 -12.653 -2.304 1.00 21.44 H new ATOM 0 HG1 THR A 73 2.538 -12.728 -3.001 1.00 20.03 H new ATOM 0 HG21 THR A 73 0.899 -12.165 -4.661 1.00 44.42 H new ATOM 0 HG22 THR A 73 -0.489 -11.185 -4.131 1.00 44.42 H new ATOM 0 HG23 THR A 73 1.128 -10.451 -4.238 1.00 44.42 H new ATOM 1053 N SER A 74 1.695 -10.960 0.504 1.00 71.52 N ATOM 1054 CA SER A 74 1.921 -11.056 1.943 1.00 63.11 C ATOM 1055 C SER A 74 1.706 -9.658 2.548 1.00 71.30 C ATOM 1056 O SER A 74 2.528 -8.752 2.361 1.00 24.30 O ATOM 1057 CB SER A 74 3.339 -11.569 2.227 1.00 5.22 C ATOM 1058 OG SER A 74 3.563 -12.848 1.639 1.00 54.12 O ATOM 0 H SER A 74 2.542 -10.754 -0.026 1.00 71.52 H new ATOM 0 HA SER A 74 1.225 -11.764 2.393 1.00 63.11 H new ATOM 0 HB2 SER A 74 4.068 -10.857 1.840 1.00 5.22 H new ATOM 0 HB3 SER A 74 3.495 -11.631 3.304 1.00 5.22 H new ATOM 0 HG SER A 74 4.476 -13.144 1.838 1.00 54.12 H new ATOM 1064 N ILE A 75 0.563 -9.494 3.203 1.00 42.40 N ATOM 1065 CA ILE A 75 0.105 -8.214 3.775 1.00 53.44 C ATOM 1066 C ILE A 75 0.608 -8.075 5.229 1.00 45.21 C ATOM 1067 O ILE A 75 0.356 -8.971 6.035 1.00 61.41 O ATOM 1068 CB ILE A 75 -1.472 -8.122 3.750 1.00 2.34 C ATOM 1069 CG1 ILE A 75 -1.996 -8.358 2.298 1.00 1.33 C ATOM 1070 CG2 ILE A 75 -1.957 -6.761 4.318 1.00 15.35 C ATOM 1071 CD1 ILE A 75 -3.506 -8.311 2.128 1.00 4.42 C ATOM 0 H ILE A 75 -0.093 -10.259 3.360 1.00 42.40 H new ATOM 0 HA ILE A 75 0.512 -7.404 3.170 1.00 53.44 H new ATOM 0 HB ILE A 75 -1.882 -8.903 4.391 1.00 2.34 H new ATOM 0 HG12 ILE A 75 -1.551 -7.608 1.644 1.00 1.33 H new ATOM 0 HG13 ILE A 75 -1.640 -9.330 1.956 1.00 1.33 H new ATOM 0 HG21 ILE A 75 -3.046 -6.722 4.290 1.00 15.35 H new ATOM 0 HG22 ILE A 75 -1.616 -6.654 5.348 1.00 15.35 H new ATOM 0 HG23 ILE A 75 -1.550 -5.949 3.715 1.00 15.35 H new ATOM 0 HD11 ILE A 75 -3.760 -8.487 1.083 1.00 4.42 H new ATOM 0 HD12 ILE A 75 -3.966 -9.080 2.748 1.00 4.42 H new ATOM 0 HD13 ILE A 75 -3.876 -7.332 2.431 1.00 4.42 H new ATOM 1083 N PRO A 76 1.352 -6.974 5.577 1.00 54.01 N ATOM 1084 CA PRO A 76 1.675 -6.640 6.975 1.00 3.41 C ATOM 1085 C PRO A 76 0.601 -5.704 7.589 1.00 64.54 C ATOM 1086 O PRO A 76 0.591 -4.493 7.328 1.00 35.11 O ATOM 1087 CB PRO A 76 3.068 -5.970 6.830 1.00 30.40 C ATOM 1088 CG PRO A 76 3.046 -5.289 5.478 1.00 12.30 C ATOM 1089 CD PRO A 76 1.975 -5.997 4.641 1.00 2.33 C ATOM 0 HA PRO A 76 1.690 -7.491 7.656 1.00 3.41 H new ATOM 0 HB2 PRO A 76 3.243 -5.251 7.630 1.00 30.40 H new ATOM 0 HB3 PRO A 76 3.867 -6.709 6.885 1.00 30.40 H new ATOM 0 HG2 PRO A 76 2.816 -4.229 5.583 1.00 12.30 H new ATOM 0 HG3 PRO A 76 4.021 -5.357 4.995 1.00 12.30 H new ATOM 0 HD2 PRO A 76 1.239 -5.290 4.258 1.00 2.33 H new ATOM 0 HD3 PRO A 76 2.413 -6.499 3.778 1.00 2.33 H new ATOM 1097 N LYS A 77 -0.372 -6.300 8.312 1.00 23.52 N ATOM 1098 CA LYS A 77 -1.427 -5.540 9.026 1.00 20.00 C ATOM 1099 C LYS A 77 -0.861 -4.785 10.274 1.00 64.52 C ATOM 1100 O LYS A 77 -1.124 -5.158 11.428 1.00 63.00 O ATOM 1101 CB LYS A 77 -2.613 -6.482 9.410 1.00 34.12 C ATOM 1102 CG LYS A 77 -3.859 -5.757 9.973 1.00 74.42 C ATOM 1103 CD LYS A 77 -4.935 -6.725 10.521 1.00 15.15 C ATOM 1104 CE LYS A 77 -6.126 -5.971 11.136 1.00 41.52 C ATOM 1105 NZ LYS A 77 -7.144 -6.883 11.733 1.00 43.44 N ATOM 0 H LYS A 77 -0.450 -7.311 8.418 1.00 23.52 H new ATOM 0 HA LYS A 77 -1.806 -4.776 8.347 1.00 20.00 H new ATOM 0 HB2 LYS A 77 -2.908 -7.050 8.528 1.00 34.12 H new ATOM 0 HB3 LYS A 77 -2.263 -7.201 10.150 1.00 34.12 H new ATOM 0 HG2 LYS A 77 -3.548 -5.081 10.770 1.00 74.42 H new ATOM 0 HG3 LYS A 77 -4.299 -5.143 9.188 1.00 74.42 H new ATOM 0 HD2 LYS A 77 -5.289 -7.368 9.715 1.00 15.15 H new ATOM 0 HD3 LYS A 77 -4.489 -7.375 11.274 1.00 15.15 H new ATOM 0 HE2 LYS A 77 -5.761 -5.290 11.904 1.00 41.52 H new ATOM 0 HE3 LYS A 77 -6.599 -5.360 10.367 1.00 41.52 H new ATOM 0 HZ1 LYS A 77 -7.923 -6.321 12.132 1.00 43.44 H new ATOM 0 HZ2 LYS A 77 -7.516 -7.517 10.997 1.00 43.44 H new ATOM 0 HZ3 LYS A 77 -6.704 -7.448 12.487 1.00 43.44 H new ATOM 1119 N GLY A 78 0.009 -3.795 10.019 1.00 42.13 N ATOM 1120 CA GLY A 78 0.394 -2.791 11.002 1.00 65.31 C ATOM 1121 C GLY A 78 0.942 -1.554 10.321 1.00 62.45 C ATOM 1122 O GLY A 78 0.681 -1.339 9.132 1.00 43.22 O ATOM 0 H GLY A 78 0.464 -3.675 9.114 1.00 42.13 H new ATOM 0 HA2 GLY A 78 -0.469 -2.524 11.612 1.00 65.31 H new ATOM 0 HA3 GLY A 78 1.145 -3.204 11.675 1.00 65.31 H new ATOM 1126 N GLU A 79 1.719 -0.755 11.068 1.00 71.54 N ATOM 1127 CA GLU A 79 2.358 0.473 10.552 1.00 70.02 C ATOM 1128 C GLU A 79 3.324 0.137 9.393 1.00 63.15 C ATOM 1129 O GLU A 79 4.410 -0.411 9.623 1.00 70.53 O ATOM 1130 CB GLU A 79 3.110 1.226 11.694 1.00 72.30 C ATOM 1131 CG GLU A 79 2.208 1.900 12.757 1.00 73.10 C ATOM 1132 CD GLU A 79 1.296 0.941 13.544 1.00 20.04 C ATOM 1133 OE1 GLU A 79 1.807 0.186 14.396 1.00 12.22 O ATOM 1134 OE2 GLU A 79 0.066 0.917 13.296 1.00 0.05 O ATOM 0 H GLU A 79 1.925 -0.940 12.050 1.00 71.54 H new ATOM 0 HA GLU A 79 1.577 1.129 10.168 1.00 70.02 H new ATOM 0 HB2 GLU A 79 3.769 0.519 12.198 1.00 72.30 H new ATOM 0 HB3 GLU A 79 3.745 1.990 11.245 1.00 72.30 H new ATOM 0 HG2 GLU A 79 2.843 2.434 13.464 1.00 73.10 H new ATOM 0 HG3 GLU A 79 1.585 2.645 12.262 1.00 73.10 H new ATOM 1141 N TRP A 80 2.892 0.424 8.150 1.00 34.24 N ATOM 1142 CA TRP A 80 3.663 0.162 6.925 1.00 30.32 C ATOM 1143 C TRP A 80 4.198 1.490 6.363 1.00 1.03 C ATOM 1144 O TRP A 80 3.655 2.554 6.664 1.00 13.13 O ATOM 1145 CB TRP A 80 2.739 -0.571 5.915 1.00 71.13 C ATOM 1146 CG TRP A 80 3.303 -0.752 4.517 1.00 14.01 C ATOM 1147 CD1 TRP A 80 4.248 -1.649 4.102 1.00 5.54 C ATOM 1148 CD2 TRP A 80 2.906 -0.018 3.348 1.00 11.42 C ATOM 1149 NE1 TRP A 80 4.467 -1.512 2.754 1.00 22.14 N ATOM 1150 CE2 TRP A 80 3.649 -0.520 2.267 1.00 32.25 C ATOM 1151 CE3 TRP A 80 1.995 1.022 3.124 1.00 33.11 C ATOM 1152 CZ2 TRP A 80 3.498 -0.030 0.972 1.00 74.44 C ATOM 1153 CZ3 TRP A 80 1.839 1.505 1.839 1.00 43.44 C ATOM 1154 CH2 TRP A 80 2.588 0.977 0.777 1.00 54.34 C ATOM 0 H TRP A 80 1.983 0.851 7.969 1.00 34.24 H new ATOM 0 HA TRP A 80 4.524 -0.474 7.129 1.00 30.32 H new ATOM 0 HB2 TRP A 80 2.497 -1.554 6.319 1.00 71.13 H new ATOM 0 HB3 TRP A 80 1.803 -0.018 5.840 1.00 71.13 H new ATOM 0 HD1 TRP A 80 4.749 -2.361 4.741 1.00 5.54 H new ATOM 0 HE1 TRP A 80 5.129 -2.058 2.203 1.00 22.14 H new ATOM 0 HE3 TRP A 80 1.425 1.439 3.941 1.00 33.11 H new ATOM 0 HZ2 TRP A 80 4.076 -0.429 0.152 1.00 74.44 H new ATOM 0 HZ3 TRP A 80 1.132 2.299 1.650 1.00 43.44 H new ATOM 0 HH2 TRP A 80 2.445 1.373 -0.218 1.00 54.34 H new ATOM 1165 N LEU A 81 5.293 1.421 5.590 1.00 42.03 N ATOM 1166 CA LEU A 81 5.903 2.587 4.941 1.00 33.45 C ATOM 1167 C LEU A 81 5.884 2.393 3.416 1.00 54.23 C ATOM 1168 O LEU A 81 6.336 1.359 2.907 1.00 23.04 O ATOM 1169 CB LEU A 81 7.350 2.788 5.463 1.00 32.14 C ATOM 1170 CG LEU A 81 7.497 3.050 6.996 1.00 1.12 C ATOM 1171 CD1 LEU A 81 8.978 3.262 7.390 1.00 50.11 C ATOM 1172 CD2 LEU A 81 6.627 4.240 7.447 1.00 30.10 C ATOM 0 H LEU A 81 5.782 0.547 5.398 1.00 42.03 H new ATOM 0 HA LEU A 81 5.331 3.483 5.182 1.00 33.45 H new ATOM 0 HB2 LEU A 81 7.933 1.903 5.209 1.00 32.14 H new ATOM 0 HB3 LEU A 81 7.795 3.627 4.927 1.00 32.14 H new ATOM 0 HG LEU A 81 7.139 2.162 7.516 1.00 1.12 H new ATOM 0 HD11 LEU A 81 9.047 3.442 8.463 1.00 50.11 H new ATOM 0 HD12 LEU A 81 9.554 2.373 7.134 1.00 50.11 H new ATOM 0 HD13 LEU A 81 9.378 4.121 6.852 1.00 50.11 H new ATOM 0 HD21 LEU A 81 6.752 4.396 8.518 1.00 30.10 H new ATOM 0 HD22 LEU A 81 6.933 5.138 6.911 1.00 30.10 H new ATOM 0 HD23 LEU A 81 5.580 4.028 7.231 1.00 30.10 H new ATOM 1184 N CYS A 82 5.346 3.390 2.697 1.00 24.34 N ATOM 1185 CA CYS A 82 5.244 3.356 1.224 1.00 43.35 C ATOM 1186 C CYS A 82 6.572 3.823 0.589 1.00 72.14 C ATOM 1187 O CYS A 82 7.439 4.331 1.309 1.00 50.22 O ATOM 1188 CB CYS A 82 4.070 4.248 0.758 1.00 22.22 C ATOM 1189 SG CYS A 82 4.395 6.020 0.904 1.00 44.54 S ATOM 0 H CYS A 82 4.970 4.241 3.115 1.00 24.34 H new ATOM 0 HA CYS A 82 5.051 2.333 0.901 1.00 43.35 H new ATOM 0 HB2 CYS A 82 3.840 4.015 -0.282 1.00 22.22 H new ATOM 0 HB3 CYS A 82 3.184 4.001 1.344 1.00 22.22 H new ATOM 0 HG CYS A 82 3.870 6.468 2.006 1.00 44.54 H new ATOM 1194 N PRO A 83 6.782 3.623 -0.758 1.00 74.03 N ATOM 1195 CA PRO A 83 7.913 4.245 -1.502 1.00 43.34 C ATOM 1196 C PRO A 83 8.161 5.728 -1.129 1.00 25.15 C ATOM 1197 O PRO A 83 9.309 6.130 -0.971 1.00 75.44 O ATOM 1198 CB PRO A 83 7.467 4.098 -2.965 1.00 1.34 C ATOM 1199 CG PRO A 83 6.723 2.789 -2.989 1.00 62.01 C ATOM 1200 CD PRO A 83 6.002 2.700 -1.652 1.00 70.21 C ATOM 0 HA PRO A 83 8.867 3.769 -1.275 1.00 43.34 H new ATOM 0 HB2 PRO A 83 6.828 4.926 -3.273 1.00 1.34 H new ATOM 0 HB3 PRO A 83 8.320 4.085 -3.643 1.00 1.34 H new ATOM 0 HG2 PRO A 83 6.016 2.756 -3.818 1.00 62.01 H new ATOM 0 HG3 PRO A 83 7.408 1.952 -3.121 1.00 62.01 H new ATOM 0 HD2 PRO A 83 4.961 3.012 -1.738 1.00 70.21 H new ATOM 0 HD3 PRO A 83 5.998 1.680 -1.267 1.00 70.21 H new ATOM 1208 N ARG A 84 7.071 6.513 -0.939 1.00 52.32 N ATOM 1209 CA ARG A 84 7.156 7.950 -0.567 1.00 32.34 C ATOM 1210 C ARG A 84 7.843 8.141 0.808 1.00 51.45 C ATOM 1211 O ARG A 84 8.694 9.027 0.948 1.00 40.33 O ATOM 1212 CB ARG A 84 5.744 8.602 -0.570 1.00 45.45 C ATOM 1213 CG ARG A 84 5.730 10.149 -0.429 1.00 30.45 C ATOM 1214 CD ARG A 84 4.310 10.740 -0.384 1.00 43.25 C ATOM 1215 NE ARG A 84 4.309 12.211 -0.487 1.00 25.43 N ATOM 1216 CZ ARG A 84 4.165 13.064 0.535 1.00 4.43 C ATOM 1217 NH1 ARG A 84 4.026 12.626 1.781 1.00 65.32 N ATOM 1218 NH2 ARG A 84 4.149 14.372 0.295 1.00 34.10 N ATOM 0 H ARG A 84 6.115 6.172 -1.038 1.00 52.32 H new ATOM 0 HA ARG A 84 7.771 8.450 -1.316 1.00 32.34 H new ATOM 0 HB2 ARG A 84 5.239 8.333 -1.498 1.00 45.45 H new ATOM 0 HB3 ARG A 84 5.162 8.173 0.246 1.00 45.45 H new ATOM 0 HG2 ARG A 84 6.262 10.430 0.480 1.00 30.45 H new ATOM 0 HG3 ARG A 84 6.273 10.589 -1.265 1.00 30.45 H new ATOM 0 HD2 ARG A 84 3.719 10.321 -1.199 1.00 43.25 H new ATOM 0 HD3 ARG A 84 3.825 10.443 0.546 1.00 43.25 H new ATOM 0 HE ARG A 84 4.428 12.613 -1.417 1.00 25.43 H new ATOM 0 HH11 ARG A 84 4.028 11.624 1.973 1.00 65.32 H new ATOM 0 HH12 ARG A 84 3.918 13.291 2.546 1.00 65.32 H new ATOM 0 HH21 ARG A 84 4.246 14.716 -0.660 1.00 34.10 H new ATOM 0 HH22 ARG A 84 4.040 15.031 1.066 1.00 34.10 H new ATOM 1232 N CYS A 85 7.493 7.286 1.802 1.00 71.43 N ATOM 1233 CA CYS A 85 8.148 7.292 3.138 1.00 54.52 C ATOM 1234 C CYS A 85 9.659 7.034 3.003 1.00 44.10 C ATOM 1235 O CYS A 85 10.478 7.716 3.615 1.00 41.53 O ATOM 1236 CB CYS A 85 7.559 6.202 4.062 1.00 42.11 C ATOM 1237 SG CYS A 85 5.780 6.307 4.372 1.00 24.21 S ATOM 0 H CYS A 85 6.761 6.583 1.705 1.00 71.43 H new ATOM 0 HA CYS A 85 7.968 8.275 3.573 1.00 54.52 H new ATOM 0 HB2 CYS A 85 7.775 5.227 3.625 1.00 42.11 H new ATOM 0 HB3 CYS A 85 8.078 6.245 5.019 1.00 42.11 H new ATOM 0 HG CYS A 85 5.267 7.252 3.641 1.00 24.21 H new ATOM 1242 N VAL A 86 9.986 6.035 2.173 1.00 14.14 N ATOM 1243 CA VAL A 86 11.364 5.587 1.937 1.00 41.41 C ATOM 1244 C VAL A 86 12.186 6.670 1.182 1.00 24.22 C ATOM 1245 O VAL A 86 13.386 6.828 1.435 1.00 61.53 O ATOM 1246 CB VAL A 86 11.365 4.216 1.159 1.00 3.13 C ATOM 1247 CG1 VAL A 86 12.790 3.662 0.978 1.00 41.54 C ATOM 1248 CG2 VAL A 86 10.472 3.170 1.874 1.00 44.11 C ATOM 0 H VAL A 86 9.293 5.509 1.641 1.00 14.14 H new ATOM 0 HA VAL A 86 11.847 5.432 2.902 1.00 41.41 H new ATOM 0 HB VAL A 86 10.953 4.411 0.169 1.00 3.13 H new ATOM 0 HG11 VAL A 86 12.747 2.716 0.437 1.00 41.54 H new ATOM 0 HG12 VAL A 86 13.389 4.376 0.413 1.00 41.54 H new ATOM 0 HG13 VAL A 86 13.245 3.501 1.955 1.00 41.54 H new ATOM 0 HG21 VAL A 86 10.491 2.234 1.316 1.00 44.11 H new ATOM 0 HG22 VAL A 86 10.848 2.999 2.883 1.00 44.11 H new ATOM 0 HG23 VAL A 86 9.448 3.541 1.927 1.00 44.11 H new ATOM 1258 N VAL A 87 11.516 7.437 0.295 1.00 31.15 N ATOM 1259 CA VAL A 87 12.150 8.537 -0.469 1.00 51.14 C ATOM 1260 C VAL A 87 12.458 9.757 0.442 1.00 41.31 C ATOM 1261 O VAL A 87 13.381 10.524 0.142 1.00 12.33 O ATOM 1262 CB VAL A 87 11.273 8.937 -1.736 1.00 21.25 C ATOM 1263 CG1 VAL A 87 11.733 10.251 -2.425 1.00 62.43 C ATOM 1264 CG2 VAL A 87 11.264 7.784 -2.770 1.00 33.53 C ATOM 0 H VAL A 87 10.525 7.313 0.088 1.00 31.15 H new ATOM 0 HA VAL A 87 13.107 8.176 -0.845 1.00 51.14 H new ATOM 0 HB VAL A 87 10.266 9.116 -1.359 1.00 21.25 H new ATOM 0 HG11 VAL A 87 11.089 10.459 -3.279 1.00 62.43 H new ATOM 0 HG12 VAL A 87 11.671 11.075 -1.715 1.00 62.43 H new ATOM 0 HG13 VAL A 87 12.763 10.142 -2.765 1.00 62.43 H new ATOM 0 HG21 VAL A 87 10.660 8.072 -3.631 1.00 33.53 H new ATOM 0 HG22 VAL A 87 12.284 7.578 -3.095 1.00 33.53 H new ATOM 0 HG23 VAL A 87 10.841 6.889 -2.313 1.00 33.53 H new ATOM 1274 N GLU A 88 11.708 9.904 1.561 1.00 54.22 N ATOM 1275 CA GLU A 88 11.950 10.976 2.565 1.00 22.14 C ATOM 1276 C GLU A 88 13.393 10.900 3.126 1.00 11.23 C ATOM 1277 O GLU A 88 13.806 9.849 3.629 1.00 51.41 O ATOM 1278 CB GLU A 88 10.916 10.896 3.726 1.00 13.52 C ATOM 1279 CG GLU A 88 9.457 11.201 3.317 1.00 72.01 C ATOM 1280 CD GLU A 88 9.251 12.655 2.844 1.00 5.45 C ATOM 1281 OE1 GLU A 88 9.012 13.545 3.692 1.00 10.44 O ATOM 1282 OE2 GLU A 88 9.337 12.924 1.630 1.00 55.32 O ATOM 0 H GLU A 88 10.926 9.292 1.794 1.00 54.22 H new ATOM 0 HA GLU A 88 11.828 11.934 2.059 1.00 22.14 H new ATOM 0 HB2 GLU A 88 10.955 9.897 4.161 1.00 13.52 H new ATOM 0 HB3 GLU A 88 11.213 11.596 4.507 1.00 13.52 H new ATOM 0 HG2 GLU A 88 9.160 10.520 2.519 1.00 72.01 H new ATOM 0 HG3 GLU A 88 8.800 11.005 4.164 1.00 72.01 H new ATOM 1289 N GLU A 89 14.141 12.033 2.998 1.00 54.31 N ATOM 1290 CA GLU A 89 15.586 12.147 3.336 1.00 40.12 C ATOM 1291 C GLU A 89 16.456 11.302 2.369 1.00 2.52 C ATOM 1292 O GLU A 89 15.943 10.649 1.447 1.00 44.23 O ATOM 1293 CB GLU A 89 15.866 11.773 4.830 1.00 43.42 C ATOM 1294 CG GLU A 89 15.092 12.623 5.864 1.00 53.32 C ATOM 1295 CD GLU A 89 15.412 12.237 7.319 1.00 54.51 C ATOM 1296 OE1 GLU A 89 14.887 11.210 7.804 1.00 22.22 O ATOM 1297 OE2 GLU A 89 16.219 12.941 7.972 1.00 71.35 O ATOM 0 H GLU A 89 13.747 12.907 2.650 1.00 54.31 H new ATOM 0 HA GLU A 89 15.867 13.193 3.210 1.00 40.12 H new ATOM 0 HB2 GLU A 89 15.614 10.723 4.981 1.00 43.42 H new ATOM 0 HB3 GLU A 89 16.934 11.875 5.022 1.00 43.42 H new ATOM 0 HG2 GLU A 89 15.330 13.676 5.712 1.00 53.32 H new ATOM 0 HG3 GLU A 89 14.022 12.510 5.691 1.00 53.32 H new ATOM 1304 N VAL A 90 17.784 11.342 2.554 1.00 13.35 N ATOM 1305 CA VAL A 90 18.720 10.464 1.819 1.00 5.43 C ATOM 1306 C VAL A 90 19.268 9.398 2.779 1.00 12.43 C ATOM 1307 O VAL A 90 19.869 9.716 3.810 1.00 41.34 O ATOM 1308 CB VAL A 90 19.889 11.258 1.111 1.00 2.23 C ATOM 1309 CG1 VAL A 90 20.655 12.177 2.086 1.00 75.22 C ATOM 1310 CG2 VAL A 90 20.858 10.291 0.367 1.00 54.31 C ATOM 0 H VAL A 90 18.241 11.976 3.210 1.00 13.35 H new ATOM 0 HA VAL A 90 18.166 9.983 1.013 1.00 5.43 H new ATOM 0 HB VAL A 90 19.423 11.907 0.370 1.00 2.23 H new ATOM 0 HG11 VAL A 90 21.447 12.699 1.548 1.00 75.22 H new ATOM 0 HG12 VAL A 90 19.967 12.905 2.516 1.00 75.22 H new ATOM 0 HG13 VAL A 90 21.093 11.577 2.884 1.00 75.22 H new ATOM 0 HG21 VAL A 90 21.651 10.867 -0.110 1.00 54.31 H new ATOM 0 HG22 VAL A 90 21.295 9.593 1.081 1.00 54.31 H new ATOM 0 HG23 VAL A 90 20.306 9.736 -0.392 1.00 54.31 H new ATOM 1320 N SER A 91 18.996 8.134 2.459 1.00 30.03 N ATOM 1321 CA SER A 91 19.526 6.988 3.191 1.00 74.35 C ATOM 1322 C SER A 91 21.036 6.849 2.928 1.00 61.42 C ATOM 1323 O SER A 91 21.453 6.697 1.774 1.00 32.01 O ATOM 1324 CB SER A 91 18.790 5.701 2.755 1.00 34.34 C ATOM 1325 OG SER A 91 17.391 5.811 2.937 1.00 41.13 O ATOM 0 H SER A 91 18.395 7.876 1.676 1.00 30.03 H new ATOM 0 HA SER A 91 19.368 7.142 4.258 1.00 74.35 H new ATOM 0 HB2 SER A 91 19.006 5.496 1.706 1.00 34.34 H new ATOM 0 HB3 SER A 91 19.166 4.854 3.329 1.00 34.34 H new ATOM 0 HG SER A 91 16.957 4.980 2.650 1.00 41.13 H new ATOM 1331 N LYS A 92 21.841 6.961 3.996 1.00 71.04 N ATOM 1332 CA LYS A 92 23.263 6.577 3.974 1.00 14.35 C ATOM 1333 C LYS A 92 23.371 5.044 3.736 1.00 43.13 C ATOM 1334 O LYS A 92 22.452 4.307 4.134 1.00 0.21 O ATOM 1335 CB LYS A 92 23.947 6.985 5.311 1.00 31.55 C ATOM 1336 CG LYS A 92 24.026 8.509 5.557 1.00 32.01 C ATOM 1337 CD LYS A 92 24.705 8.847 6.904 1.00 33.11 C ATOM 1338 CE LYS A 92 24.933 10.354 7.101 1.00 73.53 C ATOM 1339 NZ LYS A 92 23.670 11.138 7.074 1.00 12.22 N ATOM 0 H LYS A 92 21.526 7.319 4.898 1.00 71.04 H new ATOM 0 HA LYS A 92 23.775 7.097 3.164 1.00 14.35 H new ATOM 0 HB2 LYS A 92 23.404 6.525 6.136 1.00 31.55 H new ATOM 0 HB3 LYS A 92 24.957 6.575 5.327 1.00 31.55 H new ATOM 0 HG2 LYS A 92 24.580 8.979 4.744 1.00 32.01 H new ATOM 0 HG3 LYS A 92 23.021 8.931 5.542 1.00 32.01 H new ATOM 0 HD2 LYS A 92 24.089 8.469 7.720 1.00 33.11 H new ATOM 0 HD3 LYS A 92 25.663 8.330 6.961 1.00 33.11 H new ATOM 0 HE2 LYS A 92 25.437 10.519 8.053 1.00 73.53 H new ATOM 0 HE3 LYS A 92 25.599 10.721 6.320 1.00 73.53 H new ATOM 0 HZ1 LYS A 92 23.884 12.146 7.212 1.00 12.22 H new ATOM 0 HZ2 LYS A 92 23.199 11.006 6.156 1.00 12.22 H new ATOM 0 HZ3 LYS A 92 23.042 10.811 7.835 1.00 12.22 H new ATOM 1353 N PRO A 93 24.465 4.536 3.071 1.00 63.11 N ATOM 1354 CA PRO A 93 24.608 3.086 2.759 1.00 4.30 C ATOM 1355 C PRO A 93 24.557 2.200 4.029 1.00 14.34 C ATOM 1356 O PRO A 93 25.296 2.443 4.999 1.00 64.43 O ATOM 1357 CB PRO A 93 25.987 2.995 2.041 1.00 53.22 C ATOM 1358 CG PRO A 93 26.709 4.261 2.415 1.00 54.04 C ATOM 1359 CD PRO A 93 25.629 5.313 2.566 1.00 40.32 C ATOM 0 HA PRO A 93 23.788 2.715 2.144 1.00 4.30 H new ATOM 0 HB2 PRO A 93 26.542 2.115 2.364 1.00 53.22 H new ATOM 0 HB3 PRO A 93 25.864 2.916 0.961 1.00 53.22 H new ATOM 0 HG2 PRO A 93 27.267 4.135 3.343 1.00 54.04 H new ATOM 0 HG3 PRO A 93 27.428 4.544 1.647 1.00 54.04 H new ATOM 0 HD2 PRO A 93 25.924 6.096 3.265 1.00 40.32 H new ATOM 0 HD3 PRO A 93 25.406 5.801 1.617 1.00 40.32 H new ATOM 1367 N GLN A 94 23.657 1.202 4.012 1.00 40.41 N ATOM 1368 CA GLN A 94 23.416 0.302 5.155 1.00 64.32 C ATOM 1369 C GLN A 94 24.566 -0.747 5.286 1.00 50.03 C ATOM 1370 O GLN A 94 25.452 -0.560 6.150 1.00 43.40 O ATOM 1371 CB GLN A 94 21.995 -0.350 5.039 1.00 34.31 C ATOM 1372 CG GLN A 94 21.678 -1.047 3.695 1.00 30.21 C ATOM 1373 CD GLN A 94 20.243 -1.564 3.610 1.00 62.35 C ATOM 1374 OE1 GLN A 94 19.942 -2.689 4.025 1.00 12.43 O ATOM 1375 NE2 GLN A 94 19.344 -0.766 3.050 1.00 70.10 N ATOM 1376 OXT GLN A 94 24.629 -1.703 4.488 1.00 38.77 O ATOM 0 H GLN A 94 23.073 0.995 3.202 1.00 40.41 H new ATOM 0 HA GLN A 94 23.424 0.879 6.080 1.00 64.32 H new ATOM 0 HB2 GLN A 94 21.886 -1.081 5.840 1.00 34.31 H new ATOM 0 HB3 GLN A 94 21.247 0.424 5.210 1.00 34.31 H new ATOM 0 HG2 GLN A 94 21.854 -0.346 2.879 1.00 30.21 H new ATOM 0 HG3 GLN A 94 22.367 -1.880 3.554 1.00 30.21 H new ATOM 0 HE21 GLN A 94 19.620 0.158 2.716 1.00 70.10 H new ATOM 0 HE22 GLN A 94 18.377 -1.076 2.953 1.00 70.10 H new TER 1385 GLN A 94 HETATM 1386 ZN ZN A 101 -5.497 0.384 -4.980 1.00 74.03 ZN HETATM 1387 ZN ZN A 102 2.945 6.680 1.863 1.00 21.01 ZN