USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 632 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 54:sc= 0.655 USER MOD Single : A 5 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.56) USER MOD Single : A 6 THR OG1 : rot -107:sc= 0.329 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.025 USER MOD Single : A 20 TYR OH : rot -150:sc= -0.628 USER MOD Single : A 24 MET CE :methyl 155:sc= -0.111 (180deg=-0.465) USER MOD Single : A 25 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0218) USER MOD Single : A 26 THR OG1 : rot -98:sc= 1.16 USER MOD Single : A 29 THR OG1 : rot -150:sc= 0.0504 USER MOD Single : A 35 LYS NZ :NH3+ 157:sc= -0.158 (180deg=-0.301) USER MOD Single : A 36 SER OG : rot -100:sc= -1.91 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -132:sc= 0 (180deg=-0.0679) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.051 X(o=-0.051,f=-0.16) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0772 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -47:sc= 0.97 USER MOD Single : A 81 THR OG1 : rot -16:sc= 0.565 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.675 -1.109 -4.269 1.00 4.03 N ATOM 2 CA MET A 1 0.871 0.287 -4.641 1.00 14.50 C ATOM 3 C MET A 1 0.109 1.213 -3.698 1.00 14.11 C ATOM 4 O MET A 1 -0.998 1.655 -4.007 1.00 4.04 O ATOM 5 CB MET A 1 0.415 0.522 -6.083 1.00 20.34 C ATOM 6 CG MET A 1 1.340 -0.093 -7.120 1.00 25.31 C ATOM 7 SD MET A 1 0.975 0.466 -8.795 1.00 23.52 S ATOM 8 CE MET A 1 1.676 -0.872 -9.758 1.00 45.33 C ATOM 0 H1 MET A 1 1.203 -1.720 -4.924 1.00 4.03 H new ATOM 0 H2 MET A 1 1.020 -1.262 -3.300 1.00 4.03 H new ATOM 0 H3 MET A 1 -0.337 -1.342 -4.317 1.00 4.03 H new ATOM 0 HA MET A 1 1.935 0.512 -4.562 1.00 14.50 H new ATOM 0 HB2 MET A 1 -0.586 0.110 -6.211 1.00 20.34 H new ATOM 0 HB3 MET A 1 0.343 1.595 -6.263 1.00 20.34 H new ATOM 0 HG2 MET A 1 2.372 0.157 -6.874 1.00 25.31 H new ATOM 0 HG3 MET A 1 1.256 -1.179 -7.077 1.00 25.31 H new ATOM 0 HE1 MET A 1 1.529 -0.672 -10.819 1.00 45.33 H new ATOM 0 HE2 MET A 1 2.743 -0.952 -9.548 1.00 45.33 H new ATOM 0 HE3 MET A 1 1.183 -1.808 -9.494 1.00 45.33 H new ATOM 18 N ALA A 2 0.708 1.502 -2.547 1.00 73.23 N ATOM 19 CA ALA A 2 0.086 2.376 -1.560 1.00 51.05 C ATOM 20 C ALA A 2 0.714 3.765 -1.585 1.00 12.52 C ATOM 21 O ALA A 2 1.337 4.194 -0.613 1.00 14.42 O ATOM 22 CB ALA A 2 0.199 1.768 -0.170 1.00 63.35 C ATOM 0 H ALA A 2 1.623 1.143 -2.275 1.00 73.23 H new ATOM 0 HA ALA A 2 -0.969 2.478 -1.814 1.00 51.05 H new ATOM 0 HB1 ALA A 2 -0.270 2.432 0.557 1.00 63.35 H new ATOM 0 HB2 ALA A 2 -0.303 0.800 -0.154 1.00 63.35 H new ATOM 0 HB3 ALA A 2 1.250 1.636 0.085 1.00 63.35 H new ATOM 28 N THR A 3 0.547 4.466 -2.703 1.00 21.25 N ATOM 29 CA THR A 3 1.099 5.806 -2.854 1.00 41.12 C ATOM 30 C THR A 3 0.640 6.445 -4.160 1.00 12.44 C ATOM 31 O THR A 3 0.462 5.762 -5.168 1.00 54.11 O ATOM 32 CB THR A 3 2.639 5.787 -2.819 1.00 71.21 C ATOM 33 OG1 THR A 3 3.153 7.084 -3.143 1.00 74.41 O ATOM 34 CG2 THR A 3 3.190 4.759 -3.796 1.00 54.02 C ATOM 0 H THR A 3 0.034 4.127 -3.517 1.00 21.25 H new ATOM 0 HA THR A 3 0.731 6.396 -2.014 1.00 41.12 H new ATOM 0 HB THR A 3 2.954 5.513 -1.812 1.00 71.21 H new ATOM 0 HG1 THR A 3 2.752 7.752 -2.549 1.00 74.41 H new ATOM 0 HG21 THR A 3 4.279 4.764 -3.754 1.00 54.02 H new ATOM 0 HG22 THR A 3 2.821 3.769 -3.529 1.00 54.02 H new ATOM 0 HG23 THR A 3 2.865 5.007 -4.807 1.00 54.02 H new ATOM 42 N PHE A 4 0.450 7.760 -4.134 1.00 42.53 N ATOM 43 CA PHE A 4 0.011 8.492 -5.317 1.00 1.43 C ATOM 44 C PHE A 4 0.619 9.892 -5.347 1.00 62.42 C ATOM 45 O PHE A 4 0.387 10.699 -4.448 1.00 43.32 O ATOM 46 CB PHE A 4 -1.516 8.587 -5.346 1.00 62.12 C ATOM 47 CG PHE A 4 -2.062 9.063 -6.662 1.00 64.11 C ATOM 48 CD1 PHE A 4 -1.989 8.259 -7.789 1.00 10.34 C ATOM 49 CD2 PHE A 4 -2.648 10.313 -6.773 1.00 3.55 C ATOM 50 CE1 PHE A 4 -2.490 8.695 -9.001 1.00 2.33 C ATOM 51 CE2 PHE A 4 -3.151 10.755 -7.982 1.00 64.30 C ATOM 52 CZ PHE A 4 -3.072 9.944 -9.097 1.00 74.13 C ATOM 0 H PHE A 4 0.593 8.340 -3.308 1.00 42.53 H new ATOM 0 HA PHE A 4 0.352 7.948 -6.198 1.00 1.43 H new ATOM 0 HB2 PHE A 4 -1.937 7.608 -5.120 1.00 62.12 H new ATOM 0 HB3 PHE A 4 -1.845 9.265 -4.559 1.00 62.12 H new ATOM 0 HD1 PHE A 4 -1.536 7.281 -7.719 1.00 10.34 H new ATOM 0 HD2 PHE A 4 -2.713 10.951 -5.904 1.00 3.55 H new ATOM 0 HE1 PHE A 4 -2.427 8.060 -9.872 1.00 2.33 H new ATOM 0 HE2 PHE A 4 -3.605 11.732 -8.055 1.00 64.30 H new ATOM 0 HZ PHE A 4 -3.465 10.286 -10.043 1.00 74.13 H new ATOM 62 N GLN A 5 1.398 10.169 -6.388 1.00 4.05 N ATOM 63 CA GLN A 5 2.041 11.470 -6.535 1.00 20.44 C ATOM 64 C GLN A 5 1.655 12.121 -7.859 1.00 23.33 C ATOM 65 O GLN A 5 1.598 11.459 -8.896 1.00 21.33 O ATOM 66 CB GLN A 5 3.561 11.324 -6.448 1.00 63.43 C ATOM 67 CG GLN A 5 4.314 12.608 -6.757 1.00 63.51 C ATOM 68 CD GLN A 5 5.025 12.560 -8.095 1.00 64.30 C ATOM 69 OE1 GLN A 5 5.632 11.550 -8.453 1.00 24.23 O ATOM 70 NE2 GLN A 5 4.954 13.654 -8.843 1.00 50.42 N ATOM 0 H GLN A 5 1.599 9.511 -7.141 1.00 4.05 H new ATOM 0 HA GLN A 5 1.698 12.111 -5.723 1.00 20.44 H new ATOM 0 HB2 GLN A 5 3.829 10.988 -5.446 1.00 63.43 H new ATOM 0 HB3 GLN A 5 3.883 10.548 -7.142 1.00 63.43 H new ATOM 0 HG2 GLN A 5 3.616 13.445 -6.751 1.00 63.51 H new ATOM 0 HG3 GLN A 5 5.043 12.796 -5.969 1.00 63.51 H new ATOM 0 HE21 GLN A 5 4.440 14.469 -8.507 1.00 50.42 H new ATOM 0 HE22 GLN A 5 5.413 13.680 -9.753 1.00 50.42 H new ATOM 79 N THR A 6 1.391 13.423 -7.817 1.00 75.14 N ATOM 80 CA THR A 6 1.009 14.164 -9.013 1.00 74.40 C ATOM 81 C THR A 6 1.537 15.593 -8.967 1.00 34.25 C ATOM 82 O THR A 6 1.321 16.313 -7.992 1.00 13.13 O ATOM 83 CB THR A 6 -0.522 14.199 -9.187 1.00 45.10 C ATOM 84 OG1 THR A 6 -0.862 14.909 -10.383 1.00 12.11 O ATOM 85 CG2 THR A 6 -1.187 14.862 -7.991 1.00 0.25 C ATOM 0 H THR A 6 1.435 13.986 -6.968 1.00 75.14 H new ATOM 0 HA THR A 6 1.452 13.644 -9.862 1.00 74.40 H new ATOM 0 HB THR A 6 -0.882 13.173 -9.259 1.00 45.10 H new ATOM 0 HG1 THR A 6 -1.233 15.785 -10.149 1.00 12.11 H new ATOM 0 HG21 THR A 6 -2.267 14.875 -8.136 1.00 0.25 H new ATOM 0 HG22 THR A 6 -0.949 14.303 -7.086 1.00 0.25 H new ATOM 0 HG23 THR A 6 -0.822 15.884 -7.892 1.00 0.25 H new ATOM 93 N ASP A 7 2.229 15.997 -10.026 1.00 14.52 N ATOM 94 CA ASP A 7 2.786 17.343 -10.106 1.00 63.55 C ATOM 95 C ASP A 7 1.842 18.278 -10.854 1.00 51.44 C ATOM 96 O ASP A 7 2.278 19.116 -11.643 1.00 3.52 O ATOM 97 CB ASP A 7 4.149 17.312 -10.800 1.00 61.12 C ATOM 98 CG ASP A 7 5.047 18.453 -10.364 1.00 32.14 C ATOM 99 OD1 ASP A 7 4.513 19.517 -9.985 1.00 30.34 O ATOM 100 OD2 ASP A 7 6.283 18.282 -10.400 1.00 21.10 O ATOM 0 H ASP A 7 2.418 15.413 -10.841 1.00 14.52 H new ATOM 0 HA ASP A 7 2.912 17.719 -9.091 1.00 63.55 H new ATOM 0 HB2 ASP A 7 4.641 16.364 -10.585 1.00 61.12 H new ATOM 0 HB3 ASP A 7 4.005 17.359 -11.879 1.00 61.12 H new ATOM 105 N ALA A 8 0.546 18.128 -10.602 1.00 53.40 N ATOM 106 CA ALA A 8 -0.460 18.960 -11.251 1.00 11.45 C ATOM 107 C ALA A 8 -1.852 18.668 -10.701 1.00 11.04 C ATOM 108 O ALA A 8 -2.049 17.700 -9.965 1.00 42.34 O ATOM 109 CB ALA A 8 -0.430 18.747 -12.757 1.00 11.43 C ATOM 0 H ALA A 8 0.168 17.438 -9.953 1.00 53.40 H new ATOM 0 HA ALA A 8 -0.225 20.003 -11.038 1.00 11.45 H new ATOM 0 HB1 ALA A 8 -1.186 19.375 -13.228 1.00 11.43 H new ATOM 0 HB2 ALA A 8 0.554 19.013 -13.143 1.00 11.43 H new ATOM 0 HB3 ALA A 8 -0.636 17.700 -12.981 1.00 11.43 H new ATOM 115 N ASP A 9 -2.814 19.510 -11.061 1.00 12.22 N ATOM 116 CA ASP A 9 -4.189 19.342 -10.604 1.00 24.45 C ATOM 117 C ASP A 9 -4.683 17.925 -10.879 1.00 30.13 C ATOM 118 O ASP A 9 -4.082 17.187 -11.659 1.00 44.05 O ATOM 119 CB ASP A 9 -5.105 20.357 -11.289 1.00 22.15 C ATOM 120 CG ASP A 9 -4.804 20.502 -12.767 1.00 53.44 C ATOM 121 OD1 ASP A 9 -4.308 19.528 -13.371 1.00 1.00 O ATOM 122 OD2 ASP A 9 -5.066 21.590 -13.321 1.00 53.24 O ATOM 0 H ASP A 9 -2.667 20.316 -11.668 1.00 12.22 H new ATOM 0 HA ASP A 9 -4.212 19.513 -9.528 1.00 24.45 H new ATOM 0 HB2 ASP A 9 -6.143 20.050 -11.161 1.00 22.15 H new ATOM 0 HB3 ASP A 9 -4.997 21.326 -10.802 1.00 22.15 H new ATOM 127 N PHE A 10 -5.782 17.551 -10.231 1.00 63.13 N ATOM 128 CA PHE A 10 -6.356 16.222 -10.405 1.00 20.25 C ATOM 129 C PHE A 10 -7.843 16.223 -10.061 1.00 63.31 C ATOM 130 O PHE A 10 -8.334 17.124 -9.380 1.00 22.22 O ATOM 131 CB PHE A 10 -5.619 15.207 -9.528 1.00 72.43 C ATOM 132 CG PHE A 10 -5.396 15.680 -8.121 1.00 3.33 C ATOM 133 CD1 PHE A 10 -6.372 15.505 -7.153 1.00 51.34 C ATOM 134 CD2 PHE A 10 -4.209 16.301 -7.765 1.00 11.12 C ATOM 135 CE1 PHE A 10 -6.170 15.940 -5.857 1.00 25.31 C ATOM 136 CE2 PHE A 10 -4.001 16.737 -6.470 1.00 43.10 C ATOM 137 CZ PHE A 10 -4.982 16.557 -5.515 1.00 55.42 C ATOM 0 H PHE A 10 -6.292 18.149 -9.581 1.00 63.13 H new ATOM 0 HA PHE A 10 -6.243 15.938 -11.451 1.00 20.25 H new ATOM 0 HB2 PHE A 10 -6.189 14.278 -9.504 1.00 72.43 H new ATOM 0 HB3 PHE A 10 -4.655 14.978 -9.983 1.00 72.43 H new ATOM 0 HD1 PHE A 10 -7.302 15.023 -7.415 1.00 51.34 H new ATOM 0 HD2 PHE A 10 -3.438 16.446 -8.508 1.00 11.12 H new ATOM 0 HE1 PHE A 10 -6.940 15.798 -5.113 1.00 25.31 H new ATOM 0 HE2 PHE A 10 -3.071 17.218 -6.205 1.00 43.10 H new ATOM 0 HZ PHE A 10 -4.821 16.898 -4.503 1.00 55.42 H new ATOM 147 N LEU A 11 -8.554 15.207 -10.538 1.00 14.32 N ATOM 148 CA LEU A 11 -9.986 15.090 -10.282 1.00 61.25 C ATOM 149 C LEU A 11 -10.262 14.056 -9.195 1.00 40.23 C ATOM 150 O LEU A 11 -9.472 13.135 -8.984 1.00 70.14 O ATOM 151 CB LEU A 11 -10.723 14.705 -11.567 1.00 10.55 C ATOM 152 CG LEU A 11 -10.851 15.805 -12.622 1.00 23.42 C ATOM 153 CD1 LEU A 11 -10.789 15.211 -14.021 1.00 4.43 C ATOM 154 CD2 LEU A 11 -12.144 16.583 -12.428 1.00 22.15 C ATOM 0 H LEU A 11 -8.163 14.453 -11.103 1.00 14.32 H new ATOM 0 HA LEU A 11 -10.349 16.058 -9.937 1.00 61.25 H new ATOM 0 HB2 LEU A 11 -10.209 13.856 -12.017 1.00 10.55 H new ATOM 0 HB3 LEU A 11 -11.724 14.366 -11.301 1.00 10.55 H new ATOM 0 HG LEU A 11 -10.015 16.494 -12.504 1.00 23.42 H new ATOM 0 HD11 LEU A 11 -10.882 16.008 -14.759 1.00 4.43 H new ATOM 0 HD12 LEU A 11 -9.836 14.699 -14.157 1.00 4.43 H new ATOM 0 HD13 LEU A 11 -11.605 14.500 -14.151 1.00 4.43 H new ATOM 0 HD21 LEU A 11 -12.218 17.361 -13.188 1.00 22.15 H new ATOM 0 HD22 LEU A 11 -12.993 15.906 -12.519 1.00 22.15 H new ATOM 0 HD23 LEU A 11 -12.149 17.040 -11.438 1.00 22.15 H new ATOM 166 N LEU A 12 -11.388 14.214 -8.509 1.00 75.31 N ATOM 167 CA LEU A 12 -11.771 13.293 -7.444 1.00 61.44 C ATOM 168 C LEU A 12 -13.225 12.859 -7.596 1.00 34.10 C ATOM 169 O LEU A 12 -14.070 13.630 -8.050 1.00 52.45 O ATOM 170 CB LEU A 12 -11.562 13.947 -6.078 1.00 23.24 C ATOM 171 CG LEU A 12 -10.269 13.579 -5.348 1.00 34.51 C ATOM 172 CD1 LEU A 12 -9.171 14.580 -5.670 1.00 22.34 C ATOM 173 CD2 LEU A 12 -10.506 13.508 -3.846 1.00 73.04 C ATOM 0 H LEU A 12 -12.052 14.971 -8.671 1.00 75.31 H new ATOM 0 HA LEU A 12 -11.138 12.409 -7.517 1.00 61.44 H new ATOM 0 HB2 LEU A 12 -11.587 15.029 -6.208 1.00 23.24 H new ATOM 0 HB3 LEU A 12 -12.404 13.683 -5.439 1.00 23.24 H new ATOM 0 HG LEU A 12 -9.948 12.596 -5.691 1.00 34.51 H new ATOM 0 HD11 LEU A 12 -8.259 14.302 -5.142 1.00 22.34 H new ATOM 0 HD12 LEU A 12 -8.983 14.581 -6.744 1.00 22.34 H new ATOM 0 HD13 LEU A 12 -9.483 15.576 -5.356 1.00 22.34 H new ATOM 0 HD21 LEU A 12 -9.576 13.245 -3.343 1.00 73.04 H new ATOM 0 HD22 LEU A 12 -10.852 14.477 -3.486 1.00 73.04 H new ATOM 0 HD23 LEU A 12 -11.261 12.751 -3.632 1.00 73.04 H new ATOM 185 N VAL A 13 -13.511 11.619 -7.210 1.00 52.32 N ATOM 186 CA VAL A 13 -14.864 11.084 -7.300 1.00 33.40 C ATOM 187 C VAL A 13 -15.312 10.495 -5.967 1.00 10.54 C ATOM 188 O VAL A 13 -14.645 9.628 -5.403 1.00 53.53 O ATOM 189 CB VAL A 13 -14.967 9.998 -8.388 1.00 31.03 C ATOM 190 CG1 VAL A 13 -16.394 9.483 -8.495 1.00 72.21 C ATOM 191 CG2 VAL A 13 -14.484 10.537 -9.726 1.00 12.54 C ATOM 0 H VAL A 13 -12.824 10.967 -6.832 1.00 52.32 H new ATOM 0 HA VAL A 13 -15.516 11.916 -7.564 1.00 33.40 H new ATOM 0 HB VAL A 13 -14.325 9.163 -8.106 1.00 31.03 H new ATOM 0 HG11 VAL A 13 -16.447 8.717 -9.268 1.00 72.21 H new ATOM 0 HG12 VAL A 13 -16.699 9.056 -7.540 1.00 72.21 H new ATOM 0 HG13 VAL A 13 -17.060 10.307 -8.754 1.00 72.21 H new ATOM 0 HG21 VAL A 13 -14.564 9.757 -10.483 1.00 12.54 H new ATOM 0 HG22 VAL A 13 -15.097 11.389 -10.018 1.00 12.54 H new ATOM 0 HG23 VAL A 13 -13.444 10.852 -9.638 1.00 12.54 H new ATOM 201 N GLY A 14 -16.448 10.974 -5.466 1.00 65.44 N ATOM 202 CA GLY A 14 -16.966 10.483 -4.203 1.00 1.54 C ATOM 203 C GLY A 14 -18.479 10.538 -4.137 1.00 32.35 C ATOM 204 O GLY A 14 -19.164 10.094 -5.058 1.00 61.24 O ATOM 0 H GLY A 14 -17.018 11.693 -5.913 1.00 65.44 H new ATOM 0 HA2 GLY A 14 -16.636 9.455 -4.053 1.00 1.54 H new ATOM 0 HA3 GLY A 14 -16.548 11.074 -3.388 1.00 1.54 H new ATOM 208 N ASP A 15 -19.003 11.081 -3.043 1.00 41.34 N ATOM 209 CA ASP A 15 -20.445 11.191 -2.860 1.00 14.40 C ATOM 210 C ASP A 15 -20.853 12.641 -2.612 1.00 63.55 C ATOM 211 O ASP A 15 -21.878 12.909 -1.986 1.00 40.21 O ATOM 212 CB ASP A 15 -20.901 10.314 -1.693 1.00 0.11 C ATOM 213 CG ASP A 15 -20.756 8.834 -1.990 1.00 1.52 C ATOM 214 OD1 ASP A 15 -20.320 8.494 -3.110 1.00 33.43 O ATOM 215 OD2 ASP A 15 -21.077 8.017 -1.102 1.00 53.40 O ATOM 0 H ASP A 15 -18.450 11.452 -2.270 1.00 41.34 H new ATOM 0 HA ASP A 15 -20.929 10.847 -3.774 1.00 14.40 H new ATOM 0 HB2 ASP A 15 -20.318 10.562 -0.806 1.00 0.11 H new ATOM 0 HB3 ASP A 15 -21.943 10.535 -1.462 1.00 0.11 H new ATOM 220 N ASP A 16 -20.043 13.570 -3.107 1.00 62.02 N ATOM 221 CA ASP A 16 -20.319 14.992 -2.940 1.00 4.21 C ATOM 222 C ASP A 16 -20.515 15.338 -1.467 1.00 44.11 C ATOM 223 O ASP A 16 -21.638 15.556 -1.013 1.00 54.52 O ATOM 224 CB ASP A 16 -21.560 15.390 -3.740 1.00 1.33 C ATOM 225 CG ASP A 16 -21.353 15.255 -5.235 1.00 42.35 C ATOM 226 OD1 ASP A 16 -20.196 15.046 -5.658 1.00 72.11 O ATOM 227 OD2 ASP A 16 -22.347 15.358 -5.983 1.00 53.23 O ATOM 0 H ASP A 16 -19.190 13.364 -3.627 1.00 62.02 H new ATOM 0 HA ASP A 16 -19.461 15.550 -3.315 1.00 4.21 H new ATOM 0 HB2 ASP A 16 -22.401 14.767 -3.435 1.00 1.33 H new ATOM 0 HB3 ASP A 16 -21.825 16.421 -3.505 1.00 1.33 H new ATOM 232 N THR A 17 -19.413 15.385 -0.724 1.00 14.33 N ATOM 233 CA THR A 17 -19.464 15.702 0.698 1.00 41.11 C ATOM 234 C THR A 17 -18.936 17.107 0.967 1.00 31.44 C ATOM 235 O THR A 17 -17.962 17.542 0.353 1.00 12.45 O ATOM 236 CB THR A 17 -18.649 14.692 1.528 1.00 75.11 C ATOM 237 OG1 THR A 17 -17.288 14.679 1.085 1.00 3.24 O ATOM 238 CG2 THR A 17 -19.239 13.295 1.410 1.00 33.43 C ATOM 0 H THR A 17 -18.475 15.208 -1.083 1.00 14.33 H new ATOM 0 HA THR A 17 -20.511 15.646 0.997 1.00 41.11 H new ATOM 0 HB THR A 17 -18.687 14.999 2.573 1.00 75.11 H new ATOM 0 HG1 THR A 17 -16.776 14.036 1.619 1.00 3.24 H new ATOM 0 HG21 THR A 17 -18.647 12.599 2.004 1.00 33.43 H new ATOM 0 HG22 THR A 17 -20.266 13.302 1.775 1.00 33.43 H new ATOM 0 HG23 THR A 17 -19.227 12.982 0.366 1.00 33.43 H new ATOM 246 N SER A 18 -19.585 17.811 1.890 1.00 65.33 N ATOM 247 CA SER A 18 -19.182 19.168 2.238 1.00 3.12 C ATOM 248 C SER A 18 -17.788 19.179 2.860 1.00 74.43 C ATOM 249 O SER A 18 -17.082 20.185 2.809 1.00 42.50 O ATOM 250 CB SER A 18 -20.190 19.789 3.208 1.00 64.24 C ATOM 251 OG SER A 18 -21.503 19.329 2.941 1.00 52.11 O ATOM 0 H SER A 18 -20.391 17.464 2.409 1.00 65.33 H new ATOM 0 HA SER A 18 -19.157 19.759 1.322 1.00 3.12 H new ATOM 0 HB2 SER A 18 -19.915 19.539 4.233 1.00 64.24 H new ATOM 0 HB3 SER A 18 -20.158 20.875 3.125 1.00 64.24 H new ATOM 0 HG SER A 18 -22.128 19.739 3.575 1.00 52.11 H new ATOM 257 N ARG A 19 -17.400 18.051 3.446 1.00 74.20 N ATOM 258 CA ARG A 19 -16.093 17.929 4.079 1.00 44.42 C ATOM 259 C ARG A 19 -14.996 17.752 3.032 1.00 15.21 C ATOM 260 O ARG A 19 -13.808 17.822 3.345 1.00 22.03 O ATOM 261 CB ARG A 19 -16.080 16.748 5.051 1.00 53.14 C ATOM 262 CG ARG A 19 -16.904 16.984 6.306 1.00 20.42 C ATOM 263 CD ARG A 19 -17.043 15.712 7.128 1.00 74.42 C ATOM 264 NE ARG A 19 -17.229 15.995 8.548 1.00 0.23 N ATOM 265 CZ ARG A 19 -16.249 16.391 9.353 1.00 62.40 C ATOM 266 NH1 ARG A 19 -15.021 16.549 8.879 1.00 23.20 N ATOM 267 NH2 ARG A 19 -16.496 16.629 10.635 1.00 53.24 N ATOM 0 H ARG A 19 -17.973 17.208 3.495 1.00 74.20 H new ATOM 0 HA ARG A 19 -15.899 18.848 4.633 1.00 44.42 H new ATOM 0 HB2 ARG A 19 -16.458 15.863 4.539 1.00 53.14 H new ATOM 0 HB3 ARG A 19 -15.050 16.535 5.337 1.00 53.14 H new ATOM 0 HG2 ARG A 19 -16.434 17.760 6.911 1.00 20.42 H new ATOM 0 HG3 ARG A 19 -17.893 17.350 6.030 1.00 20.42 H new ATOM 0 HD2 ARG A 19 -17.890 15.133 6.760 1.00 74.42 H new ATOM 0 HD3 ARG A 19 -16.154 15.096 6.995 1.00 74.42 H new ATOM 0 HE ARG A 19 -18.162 15.883 8.944 1.00 0.23 H new ATOM 0 HH11 ARG A 19 -14.827 16.366 7.894 1.00 23.20 H new ATOM 0 HH12 ARG A 19 -14.270 16.853 9.499 1.00 23.20 H new ATOM 0 HH21 ARG A 19 -17.439 16.508 11.004 1.00 53.24 H new ATOM 0 HH22 ARG A 19 -15.743 16.933 11.252 1.00 53.24 H new ATOM 281 N TYR A 20 -15.404 17.522 1.789 1.00 15.41 N ATOM 282 CA TYR A 20 -14.458 17.332 0.697 1.00 44.22 C ATOM 283 C TYR A 20 -13.514 18.526 0.579 1.00 34.43 C ATOM 284 O TYR A 20 -12.305 18.361 0.421 1.00 73.02 O ATOM 285 CB TYR A 20 -15.204 17.126 -0.623 1.00 24.24 C ATOM 286 CG TYR A 20 -14.310 17.195 -1.841 1.00 13.15 C ATOM 287 CD1 TYR A 20 -13.191 16.379 -1.953 1.00 34.22 C ATOM 288 CD2 TYR A 20 -14.584 18.077 -2.878 1.00 53.13 C ATOM 289 CE1 TYR A 20 -12.372 16.439 -3.063 1.00 61.04 C ATOM 290 CE2 TYR A 20 -13.771 18.143 -3.993 1.00 53.12 C ATOM 291 CZ TYR A 20 -12.666 17.322 -4.081 1.00 13.30 C ATOM 292 OH TYR A 20 -11.853 17.386 -5.189 1.00 71.02 O ATOM 0 H TYR A 20 -16.384 17.463 1.513 1.00 15.41 H new ATOM 0 HA TYR A 20 -13.866 16.443 0.915 1.00 44.22 H new ATOM 0 HB2 TYR A 20 -15.701 16.156 -0.602 1.00 24.24 H new ATOM 0 HB3 TYR A 20 -15.984 17.882 -0.712 1.00 24.24 H new ATOM 0 HD1 TYR A 20 -12.958 15.686 -1.158 1.00 34.22 H new ATOM 0 HD2 TYR A 20 -15.447 18.722 -2.812 1.00 53.13 H new ATOM 0 HE1 TYR A 20 -11.506 15.798 -3.134 1.00 61.04 H new ATOM 0 HE2 TYR A 20 -13.999 18.834 -4.791 1.00 53.12 H new ATOM 0 HH TYR A 20 -11.871 18.294 -5.556 1.00 71.02 H new ATOM 302 N GLU A 21 -14.078 19.727 0.659 1.00 21.01 N ATOM 303 CA GLU A 21 -13.288 20.949 0.562 1.00 64.44 C ATOM 304 C GLU A 21 -12.317 21.064 1.734 1.00 72.34 C ATOM 305 O GLU A 21 -11.148 21.402 1.553 1.00 11.30 O ATOM 306 CB GLU A 21 -14.204 22.173 0.522 1.00 41.43 C ATOM 307 CG GLU A 21 -15.165 22.177 -0.656 1.00 24.35 C ATOM 308 CD GLU A 21 -16.046 23.410 -0.685 1.00 74.13 C ATOM 309 OE1 GLU A 21 -16.204 24.053 0.373 1.00 1.22 O ATOM 310 OE2 GLU A 21 -16.579 23.732 -1.768 1.00 60.43 O ATOM 0 H GLU A 21 -15.078 19.880 0.791 1.00 21.01 H new ATOM 0 HA GLU A 21 -12.711 20.906 -0.362 1.00 64.44 H new ATOM 0 HB2 GLU A 21 -14.777 22.217 1.448 1.00 41.43 H new ATOM 0 HB3 GLU A 21 -13.591 23.074 0.483 1.00 41.43 H new ATOM 0 HG2 GLU A 21 -14.596 22.119 -1.584 1.00 24.35 H new ATOM 0 HG3 GLU A 21 -15.793 21.287 -0.611 1.00 24.35 H new ATOM 317 N GLU A 22 -12.812 20.780 2.934 1.00 32.04 N ATOM 318 CA GLU A 22 -11.989 20.853 4.136 1.00 53.21 C ATOM 319 C GLU A 22 -10.851 19.838 4.079 1.00 74.03 C ATOM 320 O GLU A 22 -9.697 20.167 4.352 1.00 21.53 O ATOM 321 CB GLU A 22 -12.843 20.609 5.382 1.00 75.44 C ATOM 322 CG GLU A 22 -12.097 20.836 6.686 1.00 53.15 C ATOM 323 CD GLU A 22 -12.633 19.985 7.820 1.00 13.25 C ATOM 324 OE1 GLU A 22 -13.650 20.381 8.429 1.00 5.11 O ATOM 325 OE2 GLU A 22 -12.037 18.924 8.100 1.00 11.43 O ATOM 0 H GLU A 22 -13.778 20.497 3.100 1.00 32.04 H new ATOM 0 HA GLU A 22 -11.558 21.853 4.190 1.00 53.21 H new ATOM 0 HB2 GLU A 22 -13.712 21.267 5.351 1.00 75.44 H new ATOM 0 HB3 GLU A 22 -13.217 19.585 5.361 1.00 75.44 H new ATOM 0 HG2 GLU A 22 -11.040 20.615 6.539 1.00 53.15 H new ATOM 0 HG3 GLU A 22 -12.167 21.888 6.962 1.00 53.15 H new ATOM 332 N VAL A 23 -11.186 18.602 3.722 1.00 52.14 N ATOM 333 CA VAL A 23 -10.194 17.538 3.628 1.00 42.13 C ATOM 334 C VAL A 23 -9.081 17.909 2.653 1.00 34.42 C ATOM 335 O VAL A 23 -7.903 17.682 2.926 1.00 41.14 O ATOM 336 CB VAL A 23 -10.834 16.211 3.178 1.00 12.34 C ATOM 337 CG1 VAL A 23 -9.775 15.128 3.036 1.00 15.50 C ATOM 338 CG2 VAL A 23 -11.917 15.784 4.158 1.00 50.32 C ATOM 0 H VAL A 23 -12.137 18.313 3.493 1.00 52.14 H new ATOM 0 HA VAL A 23 -9.773 17.410 4.625 1.00 42.13 H new ATOM 0 HB VAL A 23 -11.297 16.363 2.203 1.00 12.34 H new ATOM 0 HG11 VAL A 23 -10.246 14.198 2.717 1.00 15.50 H new ATOM 0 HG12 VAL A 23 -9.038 15.435 2.293 1.00 15.50 H new ATOM 0 HG13 VAL A 23 -9.281 14.974 3.995 1.00 15.50 H new ATOM 0 HG21 VAL A 23 -12.359 14.845 3.825 1.00 50.32 H new ATOM 0 HG22 VAL A 23 -11.480 15.649 5.147 1.00 50.32 H new ATOM 0 HG23 VAL A 23 -12.689 16.552 4.204 1.00 50.32 H new ATOM 348 N MET A 24 -9.465 18.480 1.516 1.00 5.01 N ATOM 349 CA MET A 24 -8.499 18.884 0.501 1.00 64.11 C ATOM 350 C MET A 24 -7.735 20.129 0.942 1.00 60.43 C ATOM 351 O MET A 24 -6.546 20.274 0.656 1.00 31.13 O ATOM 352 CB MET A 24 -9.206 19.150 -0.829 1.00 62.44 C ATOM 353 CG MET A 24 -9.298 17.924 -1.724 1.00 45.33 C ATOM 354 SD MET A 24 -7.689 17.393 -2.341 1.00 62.24 S ATOM 355 CE MET A 24 -7.469 15.862 -1.439 1.00 21.45 C ATOM 0 H MET A 24 -10.437 18.673 1.275 1.00 5.01 H new ATOM 0 HA MET A 24 -7.786 18.070 0.369 1.00 64.11 H new ATOM 0 HB2 MET A 24 -10.212 19.520 -0.629 1.00 62.44 H new ATOM 0 HB3 MET A 24 -8.676 19.940 -1.361 1.00 62.44 H new ATOM 0 HG2 MET A 24 -9.758 17.107 -1.168 1.00 45.33 H new ATOM 0 HG3 MET A 24 -9.952 18.143 -2.568 1.00 45.33 H new ATOM 0 HE1 MET A 24 -6.795 15.208 -1.992 1.00 21.45 H new ATOM 0 HE2 MET A 24 -7.044 16.075 -0.458 1.00 21.45 H new ATOM 0 HE3 MET A 24 -8.434 15.370 -1.317 1.00 21.45 H new ATOM 365 N LYS A 25 -8.425 21.025 1.639 1.00 72.14 N ATOM 366 CA LYS A 25 -7.813 22.257 2.120 1.00 4.31 C ATOM 367 C LYS A 25 -6.650 21.956 3.060 1.00 23.31 C ATOM 368 O LYS A 25 -5.660 22.687 3.095 1.00 2.53 O ATOM 369 CB LYS A 25 -8.852 23.121 2.838 1.00 21.03 C ATOM 370 CG LYS A 25 -9.213 24.390 2.086 1.00 41.01 C ATOM 371 CD LYS A 25 -9.688 24.086 0.675 1.00 34.31 C ATOM 372 CE LYS A 25 -10.016 25.359 -0.089 1.00 50.14 C ATOM 373 NZ LYS A 25 -11.248 25.211 -0.912 1.00 74.40 N ATOM 0 H LYS A 25 -9.410 20.920 1.884 1.00 72.14 H new ATOM 0 HA LYS A 25 -7.429 22.803 1.258 1.00 4.31 H new ATOM 0 HB2 LYS A 25 -9.756 22.532 2.995 1.00 21.03 H new ATOM 0 HB3 LYS A 25 -8.471 23.389 3.823 1.00 21.03 H new ATOM 0 HG2 LYS A 25 -9.994 24.925 2.627 1.00 41.01 H new ATOM 0 HG3 LYS A 25 -8.346 25.049 2.045 1.00 41.01 H new ATOM 0 HD2 LYS A 25 -8.917 23.529 0.142 1.00 34.31 H new ATOM 0 HD3 LYS A 25 -10.571 23.448 0.717 1.00 34.31 H new ATOM 0 HE2 LYS A 25 -10.146 26.181 0.615 1.00 50.14 H new ATOM 0 HE3 LYS A 25 -9.178 25.621 -0.734 1.00 50.14 H new ATOM 0 HZ1 LYS A 25 -11.335 26.024 -1.555 1.00 74.40 H new ATOM 0 HZ2 LYS A 25 -11.191 24.334 -1.468 1.00 74.40 H new ATOM 0 HZ3 LYS A 25 -12.079 25.172 -0.288 1.00 74.40 H new ATOM 387 N THR A 26 -6.775 20.872 3.820 1.00 2.35 N ATOM 388 CA THR A 26 -5.735 20.474 4.760 1.00 25.22 C ATOM 389 C THR A 26 -4.396 20.292 4.054 1.00 61.21 C ATOM 390 O THR A 26 -3.337 20.387 4.675 1.00 70.32 O ATOM 391 CB THR A 26 -6.102 19.165 5.484 1.00 75.33 C ATOM 392 OG1 THR A 26 -5.968 18.056 4.588 1.00 32.41 O ATOM 393 CG2 THR A 26 -7.526 19.223 6.017 1.00 21.12 C ATOM 0 H THR A 26 -7.587 20.254 3.802 1.00 2.35 H new ATOM 0 HA THR A 26 -5.650 21.275 5.494 1.00 25.22 H new ATOM 0 HB THR A 26 -5.421 19.037 6.325 1.00 75.33 H new ATOM 0 HG1 THR A 26 -6.845 17.829 4.215 1.00 32.41 H new ATOM 0 HG21 THR A 26 -7.763 18.288 6.524 1.00 21.12 H new ATOM 0 HG22 THR A 26 -7.618 20.051 6.720 1.00 21.12 H new ATOM 0 HG23 THR A 26 -8.219 19.372 5.189 1.00 21.12 H new ATOM 401 N PHE A 27 -4.450 20.030 2.752 1.00 2.51 N ATOM 402 CA PHE A 27 -3.241 19.835 1.961 1.00 64.11 C ATOM 403 C PHE A 27 -2.726 21.164 1.416 1.00 54.13 C ATOM 404 O PHE A 27 -3.373 21.797 0.581 1.00 70.45 O ATOM 405 CB PHE A 27 -3.512 18.868 0.806 1.00 22.15 C ATOM 406 CG PHE A 27 -2.940 17.497 1.026 1.00 20.43 C ATOM 407 CD1 PHE A 27 -1.613 17.229 0.730 1.00 10.31 C ATOM 408 CD2 PHE A 27 -3.729 16.475 1.529 1.00 31.14 C ATOM 409 CE1 PHE A 27 -1.085 15.968 0.931 1.00 43.13 C ATOM 410 CE2 PHE A 27 -3.206 15.212 1.733 1.00 71.35 C ATOM 411 CZ PHE A 27 -1.882 14.958 1.434 1.00 42.43 C ATOM 0 H PHE A 27 -5.318 19.948 2.223 1.00 2.51 H new ATOM 0 HA PHE A 27 -2.477 19.409 2.611 1.00 64.11 H new ATOM 0 HB2 PHE A 27 -4.589 18.784 0.658 1.00 22.15 H new ATOM 0 HB3 PHE A 27 -3.095 19.284 -0.111 1.00 22.15 H new ATOM 0 HD1 PHE A 27 -0.984 18.015 0.338 1.00 10.31 H new ATOM 0 HD2 PHE A 27 -4.765 16.668 1.765 1.00 31.14 H new ATOM 0 HE1 PHE A 27 -0.049 15.772 0.695 1.00 43.13 H new ATOM 0 HE2 PHE A 27 -3.832 14.425 2.126 1.00 71.35 H new ATOM 0 HZ PHE A 27 -1.471 13.972 1.593 1.00 42.43 H new ATOM 421 N ASP A 28 -1.560 21.581 1.895 1.00 42.32 N ATOM 422 CA ASP A 28 -0.957 22.835 1.456 1.00 33.20 C ATOM 423 C ASP A 28 -0.844 22.880 -0.065 1.00 1.34 C ATOM 424 O ASP A 28 -0.861 23.954 -0.668 1.00 71.30 O ATOM 425 CB ASP A 28 0.424 23.010 2.088 1.00 2.34 C ATOM 426 CG ASP A 28 0.942 24.430 1.963 1.00 23.51 C ATOM 427 OD1 ASP A 28 0.166 25.309 1.535 1.00 13.44 O ATOM 428 OD2 ASP A 28 2.124 24.661 2.293 1.00 20.44 O ATOM 0 H ASP A 28 -1.013 21.070 2.587 1.00 42.32 H new ATOM 0 HA ASP A 28 -1.602 23.653 1.779 1.00 33.20 H new ATOM 0 HB2 ASP A 28 0.376 22.735 3.142 1.00 2.34 H new ATOM 0 HB3 ASP A 28 1.127 22.326 1.612 1.00 2.34 H new ATOM 433 N THR A 29 -0.727 21.707 -0.680 1.00 4.44 N ATOM 434 CA THR A 29 -0.608 21.613 -2.129 1.00 42.01 C ATOM 435 C THR A 29 -1.889 22.070 -2.817 1.00 34.23 C ATOM 436 O THR A 29 -1.855 22.598 -3.928 1.00 73.33 O ATOM 437 CB THR A 29 -0.285 20.174 -2.574 1.00 0.12 C ATOM 438 OG1 THR A 29 0.368 19.468 -1.513 1.00 12.24 O ATOM 439 CG2 THR A 29 0.602 20.176 -3.810 1.00 22.35 C ATOM 0 H THR A 29 -0.712 20.809 -0.196 1.00 4.44 H new ATOM 0 HA THR A 29 0.212 22.269 -2.422 1.00 42.01 H new ATOM 0 HB THR A 29 -1.222 19.674 -2.820 1.00 0.12 H new ATOM 0 HG1 THR A 29 0.972 18.795 -1.891 1.00 12.24 H new ATOM 0 HG21 THR A 29 0.817 19.149 -4.105 1.00 22.35 H new ATOM 0 HG22 THR A 29 0.090 20.688 -4.624 1.00 22.35 H new ATOM 0 HG23 THR A 29 1.536 20.692 -3.587 1.00 22.35 H new ATOM 447 N VAL A 30 -3.020 21.864 -2.148 1.00 42.12 N ATOM 448 CA VAL A 30 -4.313 22.257 -2.695 1.00 33.24 C ATOM 449 C VAL A 30 -4.488 23.771 -2.660 1.00 64.12 C ATOM 450 O VAL A 30 -4.400 24.391 -1.601 1.00 40.32 O ATOM 451 CB VAL A 30 -5.472 21.600 -1.921 1.00 71.01 C ATOM 452 CG1 VAL A 30 -6.812 22.068 -2.467 1.00 52.24 C ATOM 453 CG2 VAL A 30 -5.362 20.084 -1.983 1.00 41.03 C ATOM 0 H VAL A 30 -3.066 21.428 -1.227 1.00 42.12 H new ATOM 0 HA VAL A 30 -4.336 21.916 -3.730 1.00 33.24 H new ATOM 0 HB VAL A 30 -5.406 21.904 -0.876 1.00 71.01 H new ATOM 0 HG11 VAL A 30 -7.618 21.593 -1.908 1.00 52.24 H new ATOM 0 HG12 VAL A 30 -6.888 23.151 -2.365 1.00 52.24 H new ATOM 0 HG13 VAL A 30 -6.891 21.796 -3.520 1.00 52.24 H new ATOM 0 HG21 VAL A 30 -6.189 19.636 -1.431 1.00 41.03 H new ATOM 0 HG22 VAL A 30 -5.401 19.759 -3.023 1.00 41.03 H new ATOM 0 HG23 VAL A 30 -4.417 19.769 -1.540 1.00 41.03 H new ATOM 463 N GLU A 31 -4.735 24.359 -3.826 1.00 54.23 N ATOM 464 CA GLU A 31 -4.922 25.802 -3.929 1.00 22.20 C ATOM 465 C GLU A 31 -6.405 26.160 -3.935 1.00 32.32 C ATOM 466 O GLU A 31 -6.829 27.107 -3.273 1.00 44.03 O ATOM 467 CB GLU A 31 -4.252 26.336 -5.197 1.00 11.02 C ATOM 468 CG GLU A 31 -4.004 27.835 -5.169 1.00 24.24 C ATOM 469 CD GLU A 31 -3.102 28.298 -6.296 1.00 70.14 C ATOM 470 OE1 GLU A 31 -3.292 27.831 -7.439 1.00 32.03 O ATOM 471 OE2 GLU A 31 -2.206 29.128 -6.036 1.00 10.21 O ATOM 0 H GLU A 31 -4.810 23.859 -4.712 1.00 54.23 H new ATOM 0 HA GLU A 31 -4.458 26.266 -3.058 1.00 22.20 H new ATOM 0 HB2 GLU A 31 -3.302 25.822 -5.340 1.00 11.02 H new ATOM 0 HB3 GLU A 31 -4.877 26.096 -6.057 1.00 11.02 H new ATOM 0 HG2 GLU A 31 -4.958 28.359 -5.234 1.00 24.24 H new ATOM 0 HG3 GLU A 31 -3.555 28.107 -4.214 1.00 24.24 H new ATOM 478 N ALA A 32 -7.189 25.395 -4.687 1.00 74.32 N ATOM 479 CA ALA A 32 -8.625 25.629 -4.779 1.00 11.43 C ATOM 480 C ALA A 32 -9.347 24.405 -5.330 1.00 74.13 C ATOM 481 O ALA A 32 -8.716 23.463 -5.810 1.00 53.13 O ATOM 482 CB ALA A 32 -8.907 26.846 -5.647 1.00 43.44 C ATOM 0 H ALA A 32 -6.854 24.607 -5.242 1.00 74.32 H new ATOM 0 HA ALA A 32 -9.002 25.818 -3.774 1.00 11.43 H new ATOM 0 HB1 ALA A 32 -9.983 27.009 -5.707 1.00 43.44 H new ATOM 0 HB2 ALA A 32 -8.431 27.723 -5.209 1.00 43.44 H new ATOM 0 HB3 ALA A 32 -8.509 26.679 -6.648 1.00 43.44 H new ATOM 488 N VAL A 33 -10.675 24.424 -5.258 1.00 24.11 N ATOM 489 CA VAL A 33 -11.483 23.315 -5.750 1.00 51.05 C ATOM 490 C VAL A 33 -12.600 23.811 -6.662 1.00 10.54 C ATOM 491 O VAL A 33 -13.092 24.929 -6.505 1.00 35.23 O ATOM 492 CB VAL A 33 -12.101 22.512 -4.590 1.00 63.03 C ATOM 493 CG1 VAL A 33 -12.768 21.248 -5.111 1.00 42.11 C ATOM 494 CG2 VAL A 33 -11.041 22.176 -3.552 1.00 1.22 C ATOM 0 H VAL A 33 -11.213 25.195 -4.864 1.00 24.11 H new ATOM 0 HA VAL A 33 -10.816 22.665 -6.317 1.00 51.05 H new ATOM 0 HB VAL A 33 -12.864 23.126 -4.112 1.00 63.03 H new ATOM 0 HG11 VAL A 33 -13.199 20.694 -4.277 1.00 42.11 H new ATOM 0 HG12 VAL A 33 -13.556 21.516 -5.814 1.00 42.11 H new ATOM 0 HG13 VAL A 33 -12.027 20.627 -5.615 1.00 42.11 H new ATOM 0 HG21 VAL A 33 -11.495 21.609 -2.739 1.00 1.22 H new ATOM 0 HG22 VAL A 33 -10.254 21.581 -4.015 1.00 1.22 H new ATOM 0 HG23 VAL A 33 -10.614 23.098 -3.157 1.00 1.22 H new ATOM 504 N ARG A 34 -12.996 22.973 -7.614 1.00 43.31 N ATOM 505 CA ARG A 34 -14.055 23.327 -8.552 1.00 3.24 C ATOM 506 C ARG A 34 -14.919 22.113 -8.879 1.00 41.11 C ATOM 507 O ARG A 34 -14.407 21.021 -9.126 1.00 42.12 O ATOM 508 CB ARG A 34 -13.456 23.902 -9.837 1.00 12.23 C ATOM 509 CG ARG A 34 -13.028 25.355 -9.712 1.00 54.43 C ATOM 510 CD ARG A 34 -14.215 26.263 -9.426 1.00 23.33 C ATOM 511 NE ARG A 34 -14.043 27.589 -10.012 1.00 55.21 N ATOM 512 CZ ARG A 34 -14.736 28.657 -9.630 1.00 61.51 C ATOM 513 NH1 ARG A 34 -15.641 28.554 -8.667 1.00 20.33 N ATOM 514 NH2 ARG A 34 -14.523 29.830 -10.212 1.00 31.02 N ATOM 0 H ARG A 34 -12.600 22.044 -7.756 1.00 43.31 H new ATOM 0 HA ARG A 34 -14.684 24.083 -8.083 1.00 3.24 H new ATOM 0 HB2 ARG A 34 -12.594 23.302 -10.126 1.00 12.23 H new ATOM 0 HB3 ARG A 34 -14.188 23.815 -10.640 1.00 12.23 H new ATOM 0 HG2 ARG A 34 -12.294 25.452 -8.912 1.00 54.43 H new ATOM 0 HG3 ARG A 34 -12.540 25.672 -10.633 1.00 54.43 H new ATOM 0 HD2 ARG A 34 -15.123 25.807 -9.820 1.00 23.33 H new ATOM 0 HD3 ARG A 34 -14.348 26.357 -8.348 1.00 23.33 H new ATOM 0 HE ARG A 34 -13.353 27.702 -10.755 1.00 55.21 H new ATOM 0 HH11 ARG A 34 -15.807 27.654 -8.217 1.00 20.33 H new ATOM 0 HH12 ARG A 34 -16.171 29.375 -8.376 1.00 20.33 H new ATOM 0 HH21 ARG A 34 -13.827 29.913 -10.953 1.00 31.02 H new ATOM 0 HH22 ARG A 34 -15.055 30.649 -9.918 1.00 31.02 H new ATOM 528 N LYS A 35 -16.233 22.311 -8.879 1.00 2.24 N ATOM 529 CA LYS A 35 -17.170 21.234 -9.176 1.00 44.21 C ATOM 530 C LYS A 35 -17.363 21.082 -10.681 1.00 61.44 C ATOM 531 O LYS A 35 -17.402 22.069 -11.415 1.00 43.21 O ATOM 532 CB LYS A 35 -18.517 21.502 -8.503 1.00 14.33 C ATOM 533 CG LYS A 35 -19.335 22.583 -9.188 1.00 54.20 C ATOM 534 CD LYS A 35 -20.464 21.989 -10.014 1.00 32.04 C ATOM 535 CE LYS A 35 -21.549 21.395 -9.129 1.00 14.34 C ATOM 536 NZ LYS A 35 -22.016 20.074 -9.634 1.00 11.53 N ATOM 0 H LYS A 35 -16.673 23.208 -8.676 1.00 2.24 H new ATOM 0 HA LYS A 35 -16.754 20.306 -8.785 1.00 44.21 H new ATOM 0 HB2 LYS A 35 -19.095 20.578 -8.485 1.00 14.33 H new ATOM 0 HB3 LYS A 35 -18.345 21.791 -7.466 1.00 14.33 H new ATOM 0 HG2 LYS A 35 -19.748 23.258 -8.438 1.00 54.20 H new ATOM 0 HG3 LYS A 35 -18.687 23.178 -9.831 1.00 54.20 H new ATOM 0 HD2 LYS A 35 -20.895 22.761 -10.651 1.00 32.04 H new ATOM 0 HD3 LYS A 35 -20.067 21.217 -10.673 1.00 32.04 H new ATOM 0 HE2 LYS A 35 -21.168 21.282 -8.114 1.00 14.34 H new ATOM 0 HE3 LYS A 35 -22.393 22.083 -9.078 1.00 14.34 H new ATOM 0 HZ1 LYS A 35 -22.437 19.533 -8.852 1.00 11.53 H new ATOM 0 HZ2 LYS A 35 -22.728 20.219 -10.378 1.00 11.53 H new ATOM 0 HZ3 LYS A 35 -21.209 19.547 -10.025 1.00 11.53 H new ATOM 550 N SER A 36 -17.485 19.838 -11.135 1.00 10.12 N ATOM 551 CA SER A 36 -17.672 19.557 -12.553 1.00 72.52 C ATOM 552 C SER A 36 -19.132 19.743 -12.956 1.00 61.40 C ATOM 553 O SER A 36 -20.007 18.990 -12.526 1.00 43.43 O ATOM 554 CB SER A 36 -17.220 18.131 -12.876 1.00 31.01 C ATOM 555 OG SER A 36 -16.049 17.792 -12.154 1.00 31.43 O ATOM 0 H SER A 36 -17.458 19.009 -10.541 1.00 10.12 H new ATOM 0 HA SER A 36 -17.064 20.261 -13.121 1.00 72.52 H new ATOM 0 HB2 SER A 36 -18.018 17.429 -12.632 1.00 31.01 H new ATOM 0 HB3 SER A 36 -17.031 18.039 -13.946 1.00 31.01 H new ATOM 0 HG SER A 36 -15.267 17.883 -12.737 1.00 31.43 H new ATOM 561 N ASP A 37 -19.387 20.750 -13.784 1.00 3.04 N ATOM 562 CA ASP A 37 -20.740 21.036 -14.246 1.00 62.03 C ATOM 563 C ASP A 37 -21.319 19.843 -15.001 1.00 15.44 C ATOM 564 O ASP A 37 -22.532 19.625 -15.001 1.00 23.13 O ATOM 565 CB ASP A 37 -20.744 22.274 -15.144 1.00 44.13 C ATOM 566 CG ASP A 37 -20.189 23.499 -14.444 1.00 32.01 C ATOM 567 OD1 ASP A 37 -20.882 24.039 -13.556 1.00 4.23 O ATOM 568 OD2 ASP A 37 -19.063 23.917 -14.783 1.00 63.13 O ATOM 0 H ASP A 37 -18.674 21.382 -14.149 1.00 3.04 H new ATOM 0 HA ASP A 37 -21.363 21.228 -13.373 1.00 62.03 H new ATOM 0 HB2 ASP A 37 -20.155 22.072 -16.039 1.00 44.13 H new ATOM 0 HB3 ASP A 37 -21.763 22.478 -15.473 1.00 44.13 H new ATOM 573 N LEU A 38 -20.447 19.076 -15.643 1.00 64.53 N ATOM 574 CA LEU A 38 -20.871 17.905 -16.403 1.00 75.11 C ATOM 575 C LEU A 38 -21.360 16.799 -15.472 1.00 45.35 C ATOM 576 O LEU A 38 -22.403 16.190 -15.710 1.00 2.14 O ATOM 577 CB LEU A 38 -19.720 17.388 -17.268 1.00 12.23 C ATOM 578 CG LEU A 38 -20.113 16.488 -18.440 1.00 24.12 C ATOM 579 CD1 LEU A 38 -20.539 17.325 -19.636 1.00 35.42 C ATOM 580 CD2 LEU A 38 -18.960 15.568 -18.814 1.00 71.45 C ATOM 0 H LEU A 38 -19.441 19.243 -15.653 1.00 64.53 H new ATOM 0 HA LEU A 38 -21.697 18.202 -17.049 1.00 75.11 H new ATOM 0 HB2 LEU A 38 -19.174 18.246 -17.662 1.00 12.23 H new ATOM 0 HB3 LEU A 38 -19.030 16.837 -16.628 1.00 12.23 H new ATOM 0 HG LEU A 38 -20.959 15.873 -18.134 1.00 24.12 H new ATOM 0 HD11 LEU A 38 -20.815 16.668 -20.460 1.00 35.42 H new ATOM 0 HD12 LEU A 38 -21.395 17.942 -19.362 1.00 35.42 H new ATOM 0 HD13 LEU A 38 -19.713 17.966 -19.944 1.00 35.42 H new ATOM 0 HD21 LEU A 38 -19.257 14.934 -19.650 1.00 71.45 H new ATOM 0 HD22 LEU A 38 -18.095 16.166 -19.101 1.00 71.45 H new ATOM 0 HD23 LEU A 38 -18.701 14.943 -17.959 1.00 71.45 H new ATOM 592 N ASP A 39 -20.600 16.547 -14.412 1.00 44.35 N ATOM 593 CA ASP A 39 -20.956 15.517 -13.444 1.00 12.34 C ATOM 594 C ASP A 39 -20.902 16.067 -12.022 1.00 32.05 C ATOM 595 O ASP A 39 -19.866 16.560 -11.575 1.00 13.10 O ATOM 596 CB ASP A 39 -20.018 14.316 -13.575 1.00 53.44 C ATOM 597 CG ASP A 39 -20.370 13.434 -14.757 1.00 11.01 C ATOM 598 OD1 ASP A 39 -20.160 13.871 -15.908 1.00 1.41 O ATOM 599 OD2 ASP A 39 -20.855 12.306 -14.531 1.00 23.22 O ATOM 0 H ASP A 39 -19.733 17.042 -14.202 1.00 44.35 H new ATOM 0 HA ASP A 39 -21.976 15.195 -13.652 1.00 12.34 H new ATOM 0 HB2 ASP A 39 -18.992 14.669 -13.682 1.00 53.44 H new ATOM 0 HB3 ASP A 39 -20.058 13.725 -12.660 1.00 53.44 H new ATOM 604 N ASP A 40 -22.024 15.979 -11.316 1.00 53.40 N ATOM 605 CA ASP A 40 -22.105 16.468 -9.944 1.00 72.13 C ATOM 606 C ASP A 40 -21.218 15.640 -9.020 1.00 1.44 C ATOM 607 O ASP A 40 -20.820 16.101 -7.949 1.00 60.34 O ATOM 608 CB ASP A 40 -23.553 16.430 -9.451 1.00 65.13 C ATOM 609 CG ASP A 40 -24.464 17.332 -10.261 1.00 23.43 C ATOM 610 OD1 ASP A 40 -24.802 16.960 -11.404 1.00 1.41 O ATOM 611 OD2 ASP A 40 -24.838 18.409 -9.751 1.00 61.13 O ATOM 0 H ASP A 40 -22.890 15.574 -11.671 1.00 53.40 H new ATOM 0 HA ASP A 40 -21.752 17.499 -9.930 1.00 72.13 H new ATOM 0 HB2 ASP A 40 -23.924 15.406 -9.500 1.00 65.13 H new ATOM 0 HB3 ASP A 40 -23.585 16.731 -8.404 1.00 65.13 H new ATOM 616 N ARG A 41 -20.913 14.417 -9.439 1.00 62.14 N ATOM 617 CA ARG A 41 -20.075 13.524 -8.648 1.00 4.41 C ATOM 618 C ARG A 41 -18.619 13.604 -9.098 1.00 61.13 C ATOM 619 O ARG A 41 -17.884 12.618 -9.035 1.00 42.42 O ATOM 620 CB ARG A 41 -20.577 12.084 -8.762 1.00 20.02 C ATOM 621 CG ARG A 41 -22.085 11.952 -8.625 1.00 0.21 C ATOM 622 CD ARG A 41 -22.570 12.470 -7.280 1.00 4.12 C ATOM 623 NE ARG A 41 -23.839 11.864 -6.885 1.00 44.51 N ATOM 624 CZ ARG A 41 -24.291 11.855 -5.636 1.00 74.13 C ATOM 625 NH1 ARG A 41 -23.582 12.416 -4.666 1.00 75.43 N ATOM 626 NH2 ARG A 41 -25.456 11.284 -5.356 1.00 21.12 N ATOM 0 H ARG A 41 -21.234 14.021 -10.323 1.00 62.14 H new ATOM 0 HA ARG A 41 -20.133 13.840 -7.606 1.00 4.41 H new ATOM 0 HB2 ARG A 41 -20.271 11.677 -9.726 1.00 20.02 H new ATOM 0 HB3 ARG A 41 -20.096 11.479 -7.993 1.00 20.02 H new ATOM 0 HG2 ARG A 41 -22.574 12.505 -9.427 1.00 0.21 H new ATOM 0 HG3 ARG A 41 -22.372 10.906 -8.738 1.00 0.21 H new ATOM 0 HD2 ARG A 41 -21.817 12.263 -6.519 1.00 4.12 H new ATOM 0 HD3 ARG A 41 -22.685 13.553 -7.329 1.00 4.12 H new ATOM 0 HE ARG A 41 -24.409 11.424 -7.607 1.00 44.51 H new ATOM 0 HH11 ARG A 41 -22.687 12.856 -4.878 1.00 75.43 H new ATOM 0 HH12 ARG A 41 -23.932 12.407 -3.708 1.00 75.43 H new ATOM 0 HH21 ARG A 41 -26.004 10.852 -6.100 1.00 21.12 H new ATOM 0 HH22 ARG A 41 -25.803 11.277 -4.397 1.00 21.12 H new ATOM 640 N VAL A 42 -18.209 14.784 -9.553 1.00 72.35 N ATOM 641 CA VAL A 42 -16.842 14.992 -10.014 1.00 43.50 C ATOM 642 C VAL A 42 -16.326 16.366 -9.600 1.00 1.02 C ATOM 643 O VAL A 42 -17.010 17.375 -9.772 1.00 44.43 O ATOM 644 CB VAL A 42 -16.738 14.858 -11.545 1.00 32.31 C ATOM 645 CG1 VAL A 42 -15.290 14.978 -11.995 1.00 72.50 C ATOM 646 CG2 VAL A 42 -17.341 13.539 -12.005 1.00 62.11 C ATOM 0 H VAL A 42 -18.804 15.610 -9.612 1.00 72.35 H new ATOM 0 HA VAL A 42 -16.230 14.220 -9.547 1.00 43.50 H new ATOM 0 HB VAL A 42 -17.303 15.670 -12.003 1.00 32.31 H new ATOM 0 HG11 VAL A 42 -15.237 14.881 -13.079 1.00 72.50 H new ATOM 0 HG12 VAL A 42 -14.896 15.950 -11.698 1.00 72.50 H new ATOM 0 HG13 VAL A 42 -14.698 14.189 -11.531 1.00 72.50 H new ATOM 0 HG21 VAL A 42 -17.259 13.460 -13.089 1.00 62.11 H new ATOM 0 HG22 VAL A 42 -16.805 12.712 -11.540 1.00 62.11 H new ATOM 0 HG23 VAL A 42 -18.391 13.499 -11.716 1.00 62.11 H new ATOM 656 N TYR A 43 -15.116 16.397 -9.053 1.00 42.10 N ATOM 657 CA TYR A 43 -14.508 17.647 -8.612 1.00 32.01 C ATOM 658 C TYR A 43 -13.051 17.730 -9.054 1.00 45.14 C ATOM 659 O TYR A 43 -12.317 16.743 -9.002 1.00 13.11 O ATOM 660 CB TYR A 43 -14.599 17.773 -7.090 1.00 40.42 C ATOM 661 CG TYR A 43 -15.944 18.262 -6.602 1.00 51.14 C ATOM 662 CD1 TYR A 43 -17.015 17.388 -6.464 1.00 62.33 C ATOM 663 CD2 TYR A 43 -16.144 19.599 -6.279 1.00 23.44 C ATOM 664 CE1 TYR A 43 -18.246 17.830 -6.020 1.00 4.23 C ATOM 665 CE2 TYR A 43 -17.371 20.050 -5.832 1.00 23.33 C ATOM 666 CZ TYR A 43 -18.419 19.162 -5.704 1.00 65.15 C ATOM 667 OH TYR A 43 -19.643 19.606 -5.260 1.00 4.31 O ATOM 0 H TYR A 43 -14.537 15.571 -8.904 1.00 42.10 H new ATOM 0 HA TYR A 43 -15.055 18.470 -9.072 1.00 32.01 H new ATOM 0 HB2 TYR A 43 -14.390 16.802 -6.640 1.00 40.42 H new ATOM 0 HB3 TYR A 43 -13.825 18.458 -6.744 1.00 40.42 H new ATOM 0 HD1 TYR A 43 -16.883 16.344 -6.708 1.00 62.33 H new ATOM 0 HD2 TYR A 43 -15.326 20.297 -6.379 1.00 23.44 H new ATOM 0 HE1 TYR A 43 -19.068 17.137 -5.921 1.00 4.23 H new ATOM 0 HE2 TYR A 43 -17.509 21.092 -5.584 1.00 23.33 H new ATOM 0 HH TYR A 43 -19.596 20.568 -5.080 1.00 4.31 H new ATOM 677 N MET A 44 -12.638 18.916 -9.490 1.00 22.03 N ATOM 678 CA MET A 44 -11.267 19.130 -9.940 1.00 33.22 C ATOM 679 C MET A 44 -10.498 19.995 -8.947 1.00 41.51 C ATOM 680 O MET A 44 -10.864 21.144 -8.696 1.00 24.10 O ATOM 681 CB MET A 44 -11.258 19.787 -11.321 1.00 72.24 C ATOM 682 CG MET A 44 -11.997 21.115 -11.368 1.00 25.23 C ATOM 683 SD MET A 44 -12.223 21.726 -13.049 1.00 64.50 S ATOM 684 CE MET A 44 -13.578 20.695 -13.604 1.00 72.12 C ATOM 0 H MET A 44 -13.233 19.743 -9.541 1.00 22.03 H new ATOM 0 HA MET A 44 -10.776 18.159 -10.005 1.00 33.22 H new ATOM 0 HB2 MET A 44 -10.225 19.944 -11.633 1.00 72.24 H new ATOM 0 HB3 MET A 44 -11.708 19.104 -12.042 1.00 72.24 H new ATOM 0 HG2 MET A 44 -12.971 21.001 -10.893 1.00 25.23 H new ATOM 0 HG3 MET A 44 -11.444 21.854 -10.788 1.00 25.23 H new ATOM 0 HE1 MET A 44 -13.342 20.280 -14.584 1.00 72.12 H new ATOM 0 HE2 MET A 44 -13.732 19.883 -12.894 1.00 72.12 H new ATOM 0 HE3 MET A 44 -14.486 21.294 -13.672 1.00 72.12 H new ATOM 694 N VAL A 45 -9.430 19.437 -8.385 1.00 15.21 N ATOM 695 CA VAL A 45 -8.609 20.159 -7.420 1.00 72.32 C ATOM 696 C VAL A 45 -7.433 20.846 -8.105 1.00 14.50 C ATOM 697 O VAL A 45 -6.670 20.213 -8.835 1.00 52.13 O ATOM 698 CB VAL A 45 -8.073 19.218 -6.325 1.00 64.11 C ATOM 699 CG1 VAL A 45 -7.186 19.981 -5.352 1.00 74.05 C ATOM 700 CG2 VAL A 45 -9.222 18.542 -5.594 1.00 34.22 C ATOM 0 H VAL A 45 -9.113 18.488 -8.581 1.00 15.21 H new ATOM 0 HA VAL A 45 -9.249 20.912 -6.960 1.00 72.32 H new ATOM 0 HB VAL A 45 -7.469 18.444 -6.799 1.00 64.11 H new ATOM 0 HG11 VAL A 45 -6.817 19.300 -4.585 1.00 74.05 H new ATOM 0 HG12 VAL A 45 -6.343 20.413 -5.891 1.00 74.05 H new ATOM 0 HG13 VAL A 45 -7.763 20.778 -4.882 1.00 74.05 H new ATOM 0 HG21 VAL A 45 -8.825 17.881 -4.824 1.00 34.22 H new ATOM 0 HG22 VAL A 45 -9.854 19.299 -5.131 1.00 34.22 H new ATOM 0 HG23 VAL A 45 -9.812 17.960 -6.302 1.00 34.22 H new ATOM 710 N CYS A 46 -7.293 22.145 -7.864 1.00 51.21 N ATOM 711 CA CYS A 46 -6.209 22.920 -8.458 1.00 55.20 C ATOM 712 C CYS A 46 -5.067 23.107 -7.465 1.00 11.41 C ATOM 713 O CYS A 46 -5.196 23.843 -6.485 1.00 32.40 O ATOM 714 CB CYS A 46 -6.725 24.283 -8.924 1.00 21.32 C ATOM 715 SG CYS A 46 -5.690 25.074 -10.177 1.00 42.42 S ATOM 0 H CYS A 46 -7.916 22.683 -7.262 1.00 51.21 H new ATOM 0 HA CYS A 46 -5.831 22.369 -9.319 1.00 55.20 H new ATOM 0 HB2 CYS A 46 -7.732 24.161 -9.324 1.00 21.32 H new ATOM 0 HB3 CYS A 46 -6.802 24.945 -8.061 1.00 21.32 H new ATOM 0 HG CYS A 46 -6.209 26.219 -10.509 1.00 42.42 H new ATOM 721 N LEU A 47 -3.950 22.437 -7.723 1.00 61.22 N ATOM 722 CA LEU A 47 -2.784 22.528 -6.851 1.00 70.41 C ATOM 723 C LEU A 47 -2.056 23.853 -7.052 1.00 22.23 C ATOM 724 O LEU A 47 -2.185 24.493 -8.095 1.00 50.23 O ATOM 725 CB LEU A 47 -1.830 21.363 -7.119 1.00 61.54 C ATOM 726 CG LEU A 47 -2.384 19.964 -6.844 1.00 1.20 C ATOM 727 CD1 LEU A 47 -1.427 18.900 -7.359 1.00 53.01 C ATOM 728 CD2 LEU A 47 -2.642 19.776 -5.356 1.00 53.51 C ATOM 0 H LEU A 47 -3.827 21.824 -8.529 1.00 61.22 H new ATOM 0 HA LEU A 47 -3.129 22.477 -5.818 1.00 70.41 H new ATOM 0 HB2 LEU A 47 -1.516 21.409 -8.162 1.00 61.54 H new ATOM 0 HB3 LEU A 47 -0.937 21.504 -6.511 1.00 61.54 H new ATOM 0 HG LEU A 47 -3.331 19.859 -7.373 1.00 1.20 H new ATOM 0 HD11 LEU A 47 -1.838 17.911 -7.154 1.00 53.01 H new ATOM 0 HD12 LEU A 47 -1.292 19.022 -8.434 1.00 53.01 H new ATOM 0 HD13 LEU A 47 -0.464 19.003 -6.858 1.00 53.01 H new ATOM 0 HD21 LEU A 47 -3.036 18.775 -5.179 1.00 53.51 H new ATOM 0 HD22 LEU A 47 -1.709 19.902 -4.806 1.00 53.51 H new ATOM 0 HD23 LEU A 47 -3.366 20.516 -5.016 1.00 53.51 H new ATOM 740 N LYS A 48 -1.288 24.258 -6.046 1.00 1.11 N ATOM 741 CA LYS A 48 -0.535 25.505 -6.112 1.00 12.13 C ATOM 742 C LYS A 48 0.644 25.379 -7.071 1.00 72.02 C ATOM 743 O LYS A 48 1.376 24.390 -7.041 1.00 41.43 O ATOM 744 CB LYS A 48 -0.034 25.896 -4.720 1.00 0.33 C ATOM 745 CG LYS A 48 -0.966 26.841 -3.981 1.00 42.30 C ATOM 746 CD LYS A 48 -0.501 27.081 -2.554 1.00 62.04 C ATOM 747 CE LYS A 48 -1.667 27.064 -1.578 1.00 22.42 C ATOM 748 NZ LYS A 48 -1.445 27.989 -0.433 1.00 1.43 N ATOM 0 H LYS A 48 -1.171 23.740 -5.175 1.00 1.11 H new ATOM 0 HA LYS A 48 -1.201 26.283 -6.484 1.00 12.13 H new ATOM 0 HB2 LYS A 48 0.101 24.993 -4.125 1.00 0.33 H new ATOM 0 HB3 LYS A 48 0.945 26.365 -4.814 1.00 0.33 H new ATOM 0 HG2 LYS A 48 -1.018 27.791 -4.512 1.00 42.30 H new ATOM 0 HG3 LYS A 48 -1.974 26.426 -3.971 1.00 42.30 H new ATOM 0 HD2 LYS A 48 0.222 26.316 -2.272 1.00 62.04 H new ATOM 0 HD3 LYS A 48 0.011 28.041 -2.494 1.00 62.04 H new ATOM 0 HE2 LYS A 48 -2.582 27.345 -2.100 1.00 22.42 H new ATOM 0 HE3 LYS A 48 -1.812 26.051 -1.203 1.00 22.42 H new ATOM 0 HZ1 LYS A 48 -2.262 27.948 0.209 1.00 1.43 H new ATOM 0 HZ2 LYS A 48 -0.586 27.706 0.081 1.00 1.43 H new ATOM 0 HZ3 LYS A 48 -1.332 28.960 -0.788 1.00 1.43 H new ATOM 762 N GLN A 49 0.821 26.387 -7.920 1.00 21.35 N ATOM 763 CA GLN A 49 1.912 26.387 -8.887 1.00 1.42 C ATOM 764 C GLN A 49 3.262 26.288 -8.185 1.00 23.25 C ATOM 765 O GLN A 49 3.688 27.218 -7.501 1.00 51.01 O ATOM 766 CB GLN A 49 1.862 27.654 -9.743 1.00 74.23 C ATOM 767 CG GLN A 49 0.553 27.826 -10.498 1.00 43.10 C ATOM 768 CD GLN A 49 0.438 29.183 -11.165 1.00 24.33 C ATOM 769 OE1 GLN A 49 1.051 29.431 -12.204 1.00 22.34 O ATOM 770 NE2 GLN A 49 -0.350 30.070 -10.569 1.00 42.35 N ATOM 0 H GLN A 49 0.223 27.213 -7.957 1.00 21.35 H new ATOM 0 HA GLN A 49 1.793 25.516 -9.531 1.00 1.42 H new ATOM 0 HB2 GLN A 49 2.019 28.522 -9.103 1.00 74.23 H new ATOM 0 HB3 GLN A 49 2.684 27.632 -10.458 1.00 74.23 H new ATOM 0 HG2 GLN A 49 0.469 27.045 -11.254 1.00 43.10 H new ATOM 0 HG3 GLN A 49 -0.280 27.693 -9.808 1.00 43.10 H new ATOM 0 HE21 GLN A 49 -0.839 29.821 -9.709 1.00 42.35 H new ATOM 0 HE22 GLN A 49 -0.466 31.000 -10.971 1.00 42.35 H new ATOM 779 N GLY A 50 3.932 25.152 -8.358 1.00 12.13 N ATOM 780 CA GLY A 50 5.227 24.952 -7.734 1.00 34.32 C ATOM 781 C GLY A 50 5.180 23.927 -6.617 1.00 50.44 C ATOM 782 O GLY A 50 6.184 23.682 -5.949 1.00 12.24 O ATOM 0 H GLY A 50 3.601 24.367 -8.919 1.00 12.13 H new ATOM 0 HA2 GLY A 50 5.945 24.630 -8.489 1.00 34.32 H new ATOM 0 HA3 GLY A 50 5.586 25.901 -7.337 1.00 34.32 H new ATOM 786 N SER A 51 4.011 23.329 -6.414 1.00 72.21 N ATOM 787 CA SER A 51 3.836 22.329 -5.367 1.00 13.20 C ATOM 788 C SER A 51 3.609 20.946 -5.969 1.00 21.30 C ATOM 789 O SER A 51 3.396 20.807 -7.174 1.00 31.41 O ATOM 790 CB SER A 51 2.658 22.705 -4.466 1.00 30.13 C ATOM 791 OG SER A 51 2.850 23.981 -3.881 1.00 3.13 O ATOM 0 H SER A 51 3.171 23.519 -6.960 1.00 72.21 H new ATOM 0 HA SER A 51 4.747 22.301 -4.770 1.00 13.20 H new ATOM 0 HB2 SER A 51 1.736 22.703 -5.048 1.00 30.13 H new ATOM 0 HB3 SER A 51 2.542 21.956 -3.683 1.00 30.13 H new ATOM 0 HG SER A 51 2.083 24.199 -3.311 1.00 3.13 H new ATOM 797 N THR A 52 3.657 19.923 -5.121 1.00 13.02 N ATOM 798 CA THR A 52 3.458 18.550 -5.567 1.00 61.02 C ATOM 799 C THR A 52 2.646 17.754 -4.552 1.00 60.21 C ATOM 800 O THR A 52 3.092 17.524 -3.428 1.00 3.32 O ATOM 801 CB THR A 52 4.802 17.837 -5.805 1.00 65.42 C ATOM 802 OG1 THR A 52 5.558 18.534 -6.802 1.00 14.42 O ATOM 803 CG2 THR A 52 4.581 16.397 -6.245 1.00 11.32 C ATOM 0 H THR A 52 3.832 20.020 -4.121 1.00 13.02 H new ATOM 0 HA THR A 52 2.910 18.600 -6.508 1.00 61.02 H new ATOM 0 HB THR A 52 5.356 17.833 -4.866 1.00 65.42 H new ATOM 0 HG1 THR A 52 6.412 18.075 -6.946 1.00 14.42 H new ATOM 0 HG21 THR A 52 5.545 15.914 -6.407 1.00 11.32 H new ATOM 0 HG22 THR A 52 4.032 15.860 -5.471 1.00 11.32 H new ATOM 0 HG23 THR A 52 4.008 16.384 -7.172 1.00 11.32 H new ATOM 811 N PHE A 53 1.451 17.334 -4.956 1.00 25.15 N ATOM 812 CA PHE A 53 0.576 16.563 -4.080 1.00 64.22 C ATOM 813 C PHE A 53 1.006 15.099 -4.034 1.00 52.32 C ATOM 814 O PHE A 53 0.659 14.311 -4.914 1.00 23.10 O ATOM 815 CB PHE A 53 -0.874 16.666 -4.555 1.00 74.31 C ATOM 816 CG PHE A 53 -1.876 16.249 -3.517 1.00 31.45 C ATOM 817 CD1 PHE A 53 -1.947 14.931 -3.093 1.00 11.40 C ATOM 818 CD2 PHE A 53 -2.747 17.174 -2.964 1.00 73.13 C ATOM 819 CE1 PHE A 53 -2.867 14.544 -2.137 1.00 54.21 C ATOM 820 CE2 PHE A 53 -3.669 16.793 -2.008 1.00 33.31 C ATOM 821 CZ PHE A 53 -3.730 15.476 -1.595 1.00 14.13 C ATOM 0 H PHE A 53 1.067 17.514 -5.884 1.00 25.15 H new ATOM 0 HA PHE A 53 0.652 16.977 -3.075 1.00 64.22 H new ATOM 0 HB2 PHE A 53 -1.078 17.694 -4.853 1.00 74.31 H new ATOM 0 HB3 PHE A 53 -1.002 16.046 -5.442 1.00 74.31 H new ATOM 0 HD1 PHE A 53 -1.275 14.198 -3.515 1.00 11.40 H new ATOM 0 HD2 PHE A 53 -2.705 18.205 -3.284 1.00 73.13 H new ATOM 0 HE1 PHE A 53 -2.911 13.514 -1.814 1.00 54.21 H new ATOM 0 HE2 PHE A 53 -4.341 17.524 -1.584 1.00 33.31 H new ATOM 0 HZ PHE A 53 -4.451 15.176 -0.849 1.00 14.13 H new ATOM 831 N VAL A 54 1.763 14.743 -3.002 1.00 3.25 N ATOM 832 CA VAL A 54 2.240 13.375 -2.839 1.00 44.02 C ATOM 833 C VAL A 54 1.481 12.656 -1.730 1.00 0.33 C ATOM 834 O VAL A 54 1.127 13.257 -0.715 1.00 14.44 O ATOM 835 CB VAL A 54 3.747 13.340 -2.521 1.00 60.01 C ATOM 836 CG1 VAL A 54 4.207 11.912 -2.270 1.00 32.00 C ATOM 837 CG2 VAL A 54 4.544 13.975 -3.650 1.00 64.24 C ATOM 0 H VAL A 54 2.060 15.383 -2.265 1.00 3.25 H new ATOM 0 HA VAL A 54 2.064 12.864 -3.786 1.00 44.02 H new ATOM 0 HB VAL A 54 3.923 13.917 -1.613 1.00 60.01 H new ATOM 0 HG11 VAL A 54 5.274 11.907 -2.047 1.00 32.00 H new ATOM 0 HG12 VAL A 54 3.658 11.496 -1.425 1.00 32.00 H new ATOM 0 HG13 VAL A 54 4.019 11.308 -3.158 1.00 32.00 H new ATOM 0 HG21 VAL A 54 5.606 13.942 -3.409 1.00 64.24 H new ATOM 0 HG22 VAL A 54 4.365 13.427 -4.575 1.00 64.24 H new ATOM 0 HG23 VAL A 54 4.233 15.012 -3.776 1.00 64.24 H new ATOM 847 N LEU A 55 1.234 11.366 -1.929 1.00 44.30 N ATOM 848 CA LEU A 55 0.517 10.564 -0.945 1.00 31.53 C ATOM 849 C LEU A 55 1.385 9.414 -0.442 1.00 51.41 C ATOM 850 O LEU A 55 1.579 8.420 -1.139 1.00 63.42 O ATOM 851 CB LEU A 55 -0.776 10.014 -1.550 1.00 41.13 C ATOM 852 CG LEU A 55 -1.923 11.013 -1.703 1.00 52.30 C ATOM 853 CD1 LEU A 55 -3.035 10.423 -2.557 1.00 43.40 C ATOM 854 CD2 LEU A 55 -2.457 11.425 -0.339 1.00 34.42 C ATOM 0 H LEU A 55 1.520 10.853 -2.763 1.00 44.30 H new ATOM 0 HA LEU A 55 0.271 11.207 -0.100 1.00 31.53 H new ATOM 0 HB2 LEU A 55 -0.547 9.601 -2.532 1.00 41.13 H new ATOM 0 HB3 LEU A 55 -1.121 9.187 -0.929 1.00 41.13 H new ATOM 0 HG LEU A 55 -1.540 11.902 -2.205 1.00 52.30 H new ATOM 0 HD11 LEU A 55 -3.843 11.148 -2.655 1.00 43.40 H new ATOM 0 HD12 LEU A 55 -2.645 10.179 -3.545 1.00 43.40 H new ATOM 0 HD13 LEU A 55 -3.416 9.518 -2.084 1.00 43.40 H new ATOM 0 HD21 LEU A 55 -3.273 12.136 -0.467 1.00 34.42 H new ATOM 0 HD22 LEU A 55 -2.823 10.545 0.190 1.00 34.42 H new ATOM 0 HD23 LEU A 55 -1.658 11.889 0.239 1.00 34.42 H new ATOM 866 N ASN A 56 1.903 9.559 0.773 1.00 33.55 N ATOM 867 CA ASN A 56 2.749 8.532 1.370 1.00 31.45 C ATOM 868 C ASN A 56 1.991 7.214 1.507 1.00 44.30 C ATOM 869 O ASN A 56 2.534 6.143 1.239 1.00 3.32 O ATOM 870 CB ASN A 56 3.251 8.989 2.742 1.00 71.44 C ATOM 871 CG ASN A 56 3.950 10.333 2.683 1.00 54.32 C ATOM 872 OD1 ASN A 56 3.327 11.378 2.875 1.00 21.25 O ATOM 873 ND2 ASN A 56 5.250 10.313 2.415 1.00 21.21 N ATOM 0 H ASN A 56 1.752 10.377 1.363 1.00 33.55 H new ATOM 0 HA ASN A 56 3.603 8.373 0.712 1.00 31.45 H new ATOM 0 HB2 ASN A 56 2.409 9.050 3.432 1.00 71.44 H new ATOM 0 HB3 ASN A 56 3.937 8.243 3.142 1.00 71.44 H new ATOM 0 HD21 ASN A 56 5.773 11.187 2.361 1.00 21.21 H new ATOM 0 HD22 ASN A 56 5.726 9.424 2.263 1.00 21.21 H new ATOM 880 N GLY A 57 0.732 7.302 1.925 1.00 3.33 N ATOM 881 CA GLY A 57 -0.080 6.111 2.090 1.00 62.13 C ATOM 882 C GLY A 57 -0.859 5.763 0.837 1.00 14.21 C ATOM 883 O GLY A 57 -1.210 4.605 0.617 1.00 21.31 O ATOM 0 H GLY A 57 0.260 8.177 2.152 1.00 3.33 H new ATOM 0 HA2 GLY A 57 0.561 5.272 2.360 1.00 62.13 H new ATOM 0 HA3 GLY A 57 -0.775 6.260 2.917 1.00 62.13 H new ATOM 887 N GLY A 58 -1.133 6.771 0.014 1.00 74.45 N ATOM 888 CA GLY A 58 -1.877 6.545 -1.212 1.00 45.34 C ATOM 889 C GLY A 58 -3.328 6.966 -1.096 1.00 51.22 C ATOM 890 O GLY A 58 -3.663 7.850 -0.307 1.00 55.34 O ATOM 0 H GLY A 58 -0.854 7.739 0.174 1.00 74.45 H new ATOM 0 HA2 GLY A 58 -1.406 7.096 -2.026 1.00 45.34 H new ATOM 0 HA3 GLY A 58 -1.828 5.488 -1.473 1.00 45.34 H new ATOM 894 N ILE A 59 -4.191 6.334 -1.884 1.00 63.34 N ATOM 895 CA ILE A 59 -5.614 6.649 -1.866 1.00 62.54 C ATOM 896 C ILE A 59 -6.303 6.008 -0.666 1.00 53.43 C ATOM 897 O ILE A 59 -7.353 6.471 -0.222 1.00 11.50 O ATOM 898 CB ILE A 59 -6.311 6.177 -3.156 1.00 50.33 C ATOM 899 CG1 ILE A 59 -5.540 6.663 -4.385 1.00 62.33 C ATOM 900 CG2 ILE A 59 -7.748 6.676 -3.194 1.00 43.45 C ATOM 901 CD1 ILE A 59 -5.438 8.169 -4.479 1.00 55.01 C ATOM 0 H ILE A 59 -3.930 5.601 -2.543 1.00 63.34 H new ATOM 0 HA ILE A 59 -5.697 7.733 -1.794 1.00 62.54 H new ATOM 0 HB ILE A 59 -6.325 5.087 -3.167 1.00 50.33 H new ATOM 0 HG12 ILE A 59 -4.536 6.240 -4.364 1.00 62.33 H new ATOM 0 HG13 ILE A 59 -6.028 6.283 -5.283 1.00 62.33 H new ATOM 0 HG21 ILE A 59 -8.228 6.335 -4.111 1.00 43.45 H new ATOM 0 HG22 ILE A 59 -8.292 6.286 -2.333 1.00 43.45 H new ATOM 0 HG23 ILE A 59 -7.756 7.766 -3.164 1.00 43.45 H new ATOM 0 HD11 ILE A 59 -4.879 8.441 -5.374 1.00 55.01 H new ATOM 0 HD12 ILE A 59 -6.438 8.599 -4.532 1.00 55.01 H new ATOM 0 HD13 ILE A 59 -4.923 8.554 -3.599 1.00 55.01 H new ATOM 913 N GLU A 60 -5.704 4.942 -0.145 1.00 41.25 N ATOM 914 CA GLU A 60 -6.261 4.239 1.005 1.00 44.45 C ATOM 915 C GLU A 60 -6.337 5.159 2.220 1.00 40.44 C ATOM 916 O GLU A 60 -7.349 5.198 2.918 1.00 13.40 O ATOM 917 CB GLU A 60 -5.415 3.008 1.336 1.00 71.11 C ATOM 918 CG GLU A 60 -5.146 2.114 0.137 1.00 20.21 C ATOM 919 CD GLU A 60 -4.693 0.723 0.537 1.00 42.03 C ATOM 920 OE1 GLU A 60 -4.631 0.447 1.753 1.00 23.41 O ATOM 921 OE2 GLU A 60 -4.400 -0.089 -0.366 1.00 53.50 O ATOM 0 H GLU A 60 -4.834 4.546 -0.501 1.00 41.25 H new ATOM 0 HA GLU A 60 -7.271 3.919 0.749 1.00 44.45 H new ATOM 0 HB2 GLU A 60 -4.464 3.334 1.756 1.00 71.11 H new ATOM 0 HB3 GLU A 60 -5.921 2.426 2.106 1.00 71.11 H new ATOM 0 HG2 GLU A 60 -6.051 2.038 -0.465 1.00 20.21 H new ATOM 0 HG3 GLU A 60 -4.383 2.574 -0.491 1.00 20.21 H new ATOM 928 N GLU A 61 -5.259 5.897 2.465 1.00 43.23 N ATOM 929 CA GLU A 61 -5.203 6.816 3.596 1.00 73.40 C ATOM 930 C GLU A 61 -6.149 7.995 3.386 1.00 32.34 C ATOM 931 O GLU A 61 -6.726 8.519 4.340 1.00 53.43 O ATOM 932 CB GLU A 61 -3.774 7.324 3.799 1.00 35.24 C ATOM 933 CG GLU A 61 -3.140 7.878 2.535 1.00 2.01 C ATOM 934 CD GLU A 61 -1.925 8.740 2.821 1.00 33.34 C ATOM 935 OE1 GLU A 61 -1.589 8.916 4.011 1.00 60.41 O ATOM 936 OE2 GLU A 61 -1.311 9.238 1.855 1.00 71.02 O ATOM 0 H GLU A 61 -4.413 5.877 1.896 1.00 43.23 H new ATOM 0 HA GLU A 61 -5.518 6.274 4.488 1.00 73.40 H new ATOM 0 HB2 GLU A 61 -3.779 8.101 4.564 1.00 35.24 H new ATOM 0 HB3 GLU A 61 -3.158 6.508 4.177 1.00 35.24 H new ATOM 0 HG2 GLU A 61 -2.850 7.052 1.886 1.00 2.01 H new ATOM 0 HG3 GLU A 61 -3.878 8.467 1.991 1.00 2.01 H new ATOM 943 N LEU A 62 -6.303 8.407 2.133 1.00 64.41 N ATOM 944 CA LEU A 62 -7.178 9.524 1.796 1.00 2.25 C ATOM 945 C LEU A 62 -8.642 9.148 1.997 1.00 15.42 C ATOM 946 O LEU A 62 -9.448 9.967 2.440 1.00 34.11 O ATOM 947 CB LEU A 62 -6.946 9.962 0.349 1.00 25.13 C ATOM 948 CG LEU A 62 -7.169 11.445 0.053 1.00 41.14 C ATOM 949 CD1 LEU A 62 -6.222 12.303 0.877 1.00 65.03 C ATOM 950 CD2 LEU A 62 -6.989 11.725 -1.432 1.00 75.14 C ATOM 0 H LEU A 62 -5.833 7.984 1.333 1.00 64.41 H new ATOM 0 HA LEU A 62 -6.940 10.353 2.462 1.00 2.25 H new ATOM 0 HB2 LEU A 62 -5.923 9.707 0.073 1.00 25.13 H new ATOM 0 HB3 LEU A 62 -7.605 9.380 -0.296 1.00 25.13 H new ATOM 0 HG LEU A 62 -8.192 11.701 0.330 1.00 41.14 H new ATOM 0 HD11 LEU A 62 -6.396 13.355 0.652 1.00 65.03 H new ATOM 0 HD12 LEU A 62 -6.399 12.124 1.938 1.00 65.03 H new ATOM 0 HD13 LEU A 62 -5.192 12.045 0.632 1.00 65.03 H new ATOM 0 HD21 LEU A 62 -7.151 12.785 -1.625 1.00 75.14 H new ATOM 0 HD22 LEU A 62 -5.978 11.452 -1.734 1.00 75.14 H new ATOM 0 HD23 LEU A 62 -7.709 11.138 -2.003 1.00 75.14 H new ATOM 962 N ARG A 63 -8.979 7.905 1.670 1.00 31.04 N ATOM 963 CA ARG A 63 -10.346 7.420 1.816 1.00 54.42 C ATOM 964 C ARG A 63 -10.753 7.373 3.286 1.00 51.23 C ATOM 965 O ARG A 63 -11.882 7.715 3.640 1.00 74.21 O ATOM 966 CB ARG A 63 -10.487 6.031 1.192 1.00 63.31 C ATOM 967 CG ARG A 63 -10.427 6.036 -0.327 1.00 22.01 C ATOM 968 CD ARG A 63 -9.860 4.732 -0.867 1.00 4.44 C ATOM 969 NE ARG A 63 -10.044 4.611 -2.310 1.00 41.43 N ATOM 970 CZ ARG A 63 -9.665 3.550 -3.013 1.00 63.12 C ATOM 971 NH1 ARG A 63 -9.084 2.523 -2.408 1.00 41.02 N ATOM 972 NH2 ARG A 63 -9.867 3.514 -4.324 1.00 42.01 N ATOM 0 H ARG A 63 -8.324 7.215 1.302 1.00 31.04 H new ATOM 0 HA ARG A 63 -11.007 8.113 1.296 1.00 54.42 H new ATOM 0 HB2 ARG A 63 -9.696 5.387 1.576 1.00 63.31 H new ATOM 0 HB3 ARG A 63 -11.434 5.595 1.508 1.00 63.31 H new ATOM 0 HG2 ARG A 63 -11.427 6.194 -0.731 1.00 22.01 H new ATOM 0 HG3 ARG A 63 -9.811 6.869 -0.665 1.00 22.01 H new ATOM 0 HD2 ARG A 63 -8.797 4.674 -0.631 1.00 4.44 H new ATOM 0 HD3 ARG A 63 -10.344 3.892 -0.368 1.00 4.44 H new ATOM 0 HE ARG A 63 -10.488 5.384 -2.806 1.00 41.43 H new ATOM 0 HH11 ARG A 63 -8.927 2.547 -1.400 1.00 41.02 H new ATOM 0 HH12 ARG A 63 -8.794 1.709 -2.950 1.00 41.02 H new ATOM 0 HH21 ARG A 63 -10.314 4.302 -4.793 1.00 42.01 H new ATOM 0 HH22 ARG A 63 -9.575 2.698 -4.863 1.00 42.01 H new ATOM 986 N LEU A 64 -9.826 6.948 4.137 1.00 35.50 N ATOM 987 CA LEU A 64 -10.088 6.855 5.569 1.00 30.12 C ATOM 988 C LEU A 64 -10.338 8.236 6.167 1.00 33.55 C ATOM 989 O LEU A 64 -11.149 8.390 7.082 1.00 53.24 O ATOM 990 CB LEU A 64 -8.911 6.184 6.280 1.00 13.12 C ATOM 991 CG LEU A 64 -8.682 4.708 5.953 1.00 53.23 C ATOM 992 CD1 LEU A 64 -7.302 4.267 6.414 1.00 42.12 C ATOM 993 CD2 LEU A 64 -9.761 3.846 6.593 1.00 40.34 C ATOM 0 H LEU A 64 -8.887 6.662 3.861 1.00 35.50 H new ATOM 0 HA LEU A 64 -10.983 6.250 5.712 1.00 30.12 H new ATOM 0 HB2 LEU A 64 -8.003 6.735 6.035 1.00 13.12 H new ATOM 0 HB3 LEU A 64 -9.061 6.278 7.356 1.00 13.12 H new ATOM 0 HG LEU A 64 -8.739 4.582 4.872 1.00 53.23 H new ATOM 0 HD11 LEU A 64 -7.157 3.214 6.173 1.00 42.12 H new ATOM 0 HD12 LEU A 64 -6.542 4.863 5.909 1.00 42.12 H new ATOM 0 HD13 LEU A 64 -7.216 4.408 7.491 1.00 42.12 H new ATOM 0 HD21 LEU A 64 -9.582 2.799 6.350 1.00 40.34 H new ATOM 0 HD22 LEU A 64 -9.737 3.976 7.675 1.00 40.34 H new ATOM 0 HD23 LEU A 64 -10.738 4.145 6.213 1.00 40.34 H new ATOM 1005 N LEU A 65 -9.639 9.237 5.645 1.00 63.41 N ATOM 1006 CA LEU A 65 -9.786 10.606 6.126 1.00 74.05 C ATOM 1007 C LEU A 65 -11.249 11.039 6.096 1.00 22.31 C ATOM 1008 O LEU A 65 -11.872 11.232 7.141 1.00 41.44 O ATOM 1009 CB LEU A 65 -8.944 11.559 5.276 1.00 5.14 C ATOM 1010 CG LEU A 65 -7.615 12.007 5.888 1.00 75.31 C ATOM 1011 CD1 LEU A 65 -6.849 12.887 4.913 1.00 24.31 C ATOM 1012 CD2 LEU A 65 -7.853 12.741 7.199 1.00 1.52 C ATOM 0 H LEU A 65 -8.964 9.126 4.888 1.00 63.41 H new ATOM 0 HA LEU A 65 -9.436 10.642 7.158 1.00 74.05 H new ATOM 0 HB2 LEU A 65 -8.737 11.076 4.321 1.00 5.14 H new ATOM 0 HB3 LEU A 65 -9.540 12.446 5.062 1.00 5.14 H new ATOM 0 HG LEU A 65 -7.014 11.121 6.095 1.00 75.31 H new ATOM 0 HD11 LEU A 65 -5.907 13.196 5.365 1.00 24.31 H new ATOM 0 HD12 LEU A 65 -6.647 12.328 4.000 1.00 24.31 H new ATOM 0 HD13 LEU A 65 -7.444 13.769 4.674 1.00 24.31 H new ATOM 0 HD21 LEU A 65 -6.897 13.052 7.620 1.00 1.52 H new ATOM 0 HD22 LEU A 65 -8.473 13.619 7.017 1.00 1.52 H new ATOM 0 HD23 LEU A 65 -8.360 12.078 7.900 1.00 1.52 H new ATOM 1024 N THR A 66 -11.793 11.187 4.892 1.00 22.11 N ATOM 1025 CA THR A 66 -13.182 11.595 4.726 1.00 1.31 C ATOM 1026 C THR A 66 -14.136 10.482 5.143 1.00 1.04 C ATOM 1027 O THR A 66 -15.286 10.737 5.499 1.00 4.31 O ATOM 1028 CB THR A 66 -13.480 11.992 3.268 1.00 74.11 C ATOM 1029 OG1 THR A 66 -14.878 12.258 3.109 1.00 13.40 O ATOM 1030 CG2 THR A 66 -13.057 10.889 2.310 1.00 72.24 C ATOM 0 H THR A 66 -11.292 11.030 4.017 1.00 22.11 H new ATOM 0 HA THR A 66 -13.336 12.461 5.370 1.00 1.31 H new ATOM 0 HB THR A 66 -12.910 12.892 3.036 1.00 74.11 H new ATOM 0 HG1 THR A 66 -15.059 12.511 2.180 1.00 13.40 H new ATOM 0 HG21 THR A 66 -13.277 11.192 1.286 1.00 72.24 H new ATOM 0 HG22 THR A 66 -11.987 10.708 2.413 1.00 72.24 H new ATOM 0 HG23 THR A 66 -13.603 9.975 2.543 1.00 72.24 H new ATOM 1038 N GLY A 67 -13.651 9.245 5.098 1.00 23.12 N ATOM 1039 CA GLY A 67 -14.474 8.111 5.475 1.00 31.21 C ATOM 1040 C GLY A 67 -15.260 7.551 4.306 1.00 11.11 C ATOM 1041 O GLY A 67 -16.443 7.235 4.439 1.00 44.32 O ATOM 0 H GLY A 67 -12.703 9.008 4.807 1.00 23.12 H new ATOM 0 HA2 GLY A 67 -13.840 7.328 5.891 1.00 31.21 H new ATOM 0 HA3 GLY A 67 -15.165 8.413 6.262 1.00 31.21 H new ATOM 1045 N ASP A 68 -14.603 7.429 3.158 1.00 54.42 N ATOM 1046 CA ASP A 68 -15.249 6.905 1.960 1.00 65.41 C ATOM 1047 C ASP A 68 -14.239 6.186 1.070 1.00 54.23 C ATOM 1048 O ASP A 68 -13.326 6.806 0.524 1.00 20.45 O ATOM 1049 CB ASP A 68 -15.921 8.035 1.180 1.00 11.40 C ATOM 1050 CG ASP A 68 -17.106 7.553 0.367 1.00 33.21 C ATOM 1051 OD1 ASP A 68 -17.500 6.379 0.531 1.00 71.21 O ATOM 1052 OD2 ASP A 68 -17.641 8.349 -0.432 1.00 43.33 O ATOM 0 H ASP A 68 -13.624 7.686 3.031 1.00 54.42 H new ATOM 0 HA ASP A 68 -16.009 6.188 2.271 1.00 65.41 H new ATOM 0 HB2 ASP A 68 -16.251 8.806 1.876 1.00 11.40 H new ATOM 0 HB3 ASP A 68 -15.192 8.497 0.515 1.00 11.40 H new ATOM 1057 N SER A 69 -14.410 4.876 0.928 1.00 34.40 N ATOM 1058 CA SER A 69 -13.512 4.072 0.108 1.00 23.30 C ATOM 1059 C SER A 69 -13.681 4.406 -1.371 1.00 21.30 C ATOM 1060 O SER A 69 -12.764 4.219 -2.171 1.00 43.24 O ATOM 1061 CB SER A 69 -13.772 2.582 0.339 1.00 20.10 C ATOM 1062 OG SER A 69 -13.378 2.192 1.643 1.00 22.50 O ATOM 0 H SER A 69 -15.163 4.349 1.370 1.00 34.40 H new ATOM 0 HA SER A 69 -12.488 4.304 0.400 1.00 23.30 H new ATOM 0 HB2 SER A 69 -14.831 2.368 0.196 1.00 20.10 H new ATOM 0 HB3 SER A 69 -13.226 1.995 -0.400 1.00 20.10 H new ATOM 0 HG SER A 69 -13.556 1.236 1.766 1.00 22.50 H new ATOM 1068 N THR A 70 -14.862 4.901 -1.728 1.00 42.50 N ATOM 1069 CA THR A 70 -15.154 5.261 -3.110 1.00 24.11 C ATOM 1070 C THR A 70 -14.279 6.421 -3.573 1.00 32.33 C ATOM 1071 O THR A 70 -14.044 6.595 -4.769 1.00 42.31 O ATOM 1072 CB THR A 70 -16.634 5.646 -3.290 1.00 32.44 C ATOM 1073 OG1 THR A 70 -16.908 6.874 -2.606 1.00 63.14 O ATOM 1074 CG2 THR A 70 -17.546 4.550 -2.759 1.00 33.04 C ATOM 0 H THR A 70 -15.632 5.062 -1.079 1.00 42.50 H new ATOM 0 HA THR A 70 -14.939 4.382 -3.717 1.00 24.11 H new ATOM 0 HB THR A 70 -16.826 5.773 -4.355 1.00 32.44 H new ATOM 0 HG1 THR A 70 -17.851 7.112 -2.727 1.00 63.14 H new ATOM 0 HG21 THR A 70 -18.587 4.844 -2.897 1.00 33.04 H new ATOM 0 HG22 THR A 70 -17.356 3.624 -3.301 1.00 33.04 H new ATOM 0 HG23 THR A 70 -17.350 4.396 -1.698 1.00 33.04 H new ATOM 1082 N LEU A 71 -13.799 7.211 -2.619 1.00 35.02 N ATOM 1083 CA LEU A 71 -12.949 8.355 -2.929 1.00 12.21 C ATOM 1084 C LEU A 71 -11.779 7.940 -3.814 1.00 25.40 C ATOM 1085 O LEU A 71 -10.870 7.239 -3.369 1.00 0.54 O ATOM 1086 CB LEU A 71 -12.428 8.992 -1.640 1.00 3.33 C ATOM 1087 CG LEU A 71 -11.595 10.264 -1.808 1.00 72.34 C ATOM 1088 CD1 LEU A 71 -11.802 11.198 -0.626 1.00 64.30 C ATOM 1089 CD2 LEU A 71 -10.122 9.919 -1.967 1.00 45.14 C ATOM 0 H LEU A 71 -13.984 7.080 -1.624 1.00 35.02 H new ATOM 0 HA LEU A 71 -13.549 9.086 -3.471 1.00 12.21 H new ATOM 0 HB2 LEU A 71 -13.281 9.222 -1.002 1.00 3.33 H new ATOM 0 HB3 LEU A 71 -11.825 8.254 -1.112 1.00 3.33 H new ATOM 0 HG LEU A 71 -11.927 10.776 -2.711 1.00 72.34 H new ATOM 0 HD11 LEU A 71 -11.201 12.097 -0.763 1.00 64.30 H new ATOM 0 HD12 LEU A 71 -12.855 11.472 -0.559 1.00 64.30 H new ATOM 0 HD13 LEU A 71 -11.498 10.696 0.292 1.00 64.30 H new ATOM 0 HD21 LEU A 71 -9.544 10.836 -2.085 1.00 45.14 H new ATOM 0 HD22 LEU A 71 -9.776 9.384 -1.083 1.00 45.14 H new ATOM 0 HD23 LEU A 71 -9.989 9.290 -2.847 1.00 45.14 H new ATOM 1101 N GLU A 72 -11.807 8.378 -5.069 1.00 31.03 N ATOM 1102 CA GLU A 72 -10.747 8.052 -6.015 1.00 41.03 C ATOM 1103 C GLU A 72 -10.122 9.320 -6.590 1.00 4.03 C ATOM 1104 O GLU A 72 -10.712 10.399 -6.528 1.00 74.31 O ATOM 1105 CB GLU A 72 -11.294 7.182 -7.149 1.00 33.35 C ATOM 1106 CG GLU A 72 -11.917 5.881 -6.670 1.00 63.35 C ATOM 1107 CD GLU A 72 -11.464 4.684 -7.484 1.00 23.21 C ATOM 1108 OE1 GLU A 72 -11.075 4.874 -8.655 1.00 51.51 O ATOM 1109 OE2 GLU A 72 -11.498 3.556 -6.948 1.00 42.13 O ATOM 0 H GLU A 72 -12.552 8.959 -5.454 1.00 31.03 H new ATOM 0 HA GLU A 72 -9.976 7.497 -5.480 1.00 41.03 H new ATOM 0 HB2 GLU A 72 -12.040 7.750 -7.704 1.00 33.35 H new ATOM 0 HB3 GLU A 72 -10.485 6.954 -7.844 1.00 33.35 H new ATOM 0 HG2 GLU A 72 -11.659 5.723 -5.623 1.00 63.35 H new ATOM 0 HG3 GLU A 72 -13.003 5.961 -6.722 1.00 63.35 H new ATOM 1116 N ILE A 73 -8.923 9.182 -7.147 1.00 34.40 N ATOM 1117 CA ILE A 73 -8.218 10.315 -7.733 1.00 32.15 C ATOM 1118 C ILE A 73 -7.793 10.016 -9.166 1.00 41.52 C ATOM 1119 O ILE A 73 -7.243 8.953 -9.452 1.00 11.13 O ATOM 1120 CB ILE A 73 -6.973 10.691 -6.907 1.00 74.23 C ATOM 1121 CG1 ILE A 73 -7.371 11.031 -5.470 1.00 14.43 C ATOM 1122 CG2 ILE A 73 -6.244 11.860 -7.552 1.00 21.11 C ATOM 1123 CD1 ILE A 73 -6.198 11.401 -4.589 1.00 52.45 C ATOM 0 H ILE A 73 -8.420 8.297 -7.205 1.00 34.40 H new ATOM 0 HA ILE A 73 -8.913 11.155 -7.731 1.00 32.15 H new ATOM 0 HB ILE A 73 -6.298 9.835 -6.883 1.00 74.23 H new ATOM 0 HG12 ILE A 73 -8.080 11.859 -5.484 1.00 14.43 H new ATOM 0 HG13 ILE A 73 -7.888 10.177 -5.033 1.00 14.43 H new ATOM 0 HG21 ILE A 73 -5.367 12.114 -6.957 1.00 21.11 H new ATOM 0 HG22 ILE A 73 -5.932 11.583 -8.559 1.00 21.11 H new ATOM 0 HG23 ILE A 73 -6.910 12.721 -7.602 1.00 21.11 H new ATOM 0 HD11 ILE A 73 -6.555 11.630 -3.585 1.00 52.45 H new ATOM 0 HD12 ILE A 73 -5.499 10.566 -4.544 1.00 52.45 H new ATOM 0 HD13 ILE A 73 -5.694 12.274 -5.002 1.00 52.45 H new ATOM 1135 N GLN A 74 -8.050 10.963 -10.063 1.00 42.11 N ATOM 1136 CA GLN A 74 -7.692 10.802 -11.467 1.00 71.44 C ATOM 1137 C GLN A 74 -6.902 12.005 -11.970 1.00 2.32 C ATOM 1138 O GLN A 74 -7.025 13.118 -11.457 1.00 21.45 O ATOM 1139 CB GLN A 74 -8.950 10.611 -12.317 1.00 43.41 C ATOM 1140 CG GLN A 74 -9.955 9.647 -11.709 1.00 20.12 C ATOM 1141 CD GLN A 74 -10.840 8.992 -12.751 1.00 24.40 C ATOM 1142 OE1 GLN A 74 -10.858 7.768 -12.886 1.00 23.22 O ATOM 1143 NE2 GLN A 74 -11.580 9.805 -13.495 1.00 61.23 N ATOM 0 H GLN A 74 -8.505 11.849 -9.842 1.00 42.11 H new ATOM 0 HA GLN A 74 -7.063 9.916 -11.556 1.00 71.44 H new ATOM 0 HB2 GLN A 74 -9.430 11.579 -12.463 1.00 43.41 H new ATOM 0 HB3 GLN A 74 -8.660 10.247 -13.303 1.00 43.41 H new ATOM 0 HG2 GLN A 74 -9.422 8.875 -11.154 1.00 20.12 H new ATOM 0 HG3 GLN A 74 -10.579 10.182 -10.993 1.00 20.12 H new ATOM 0 HE21 GLN A 74 -11.534 10.813 -13.349 1.00 61.23 H new ATOM 0 HE22 GLN A 74 -12.195 9.421 -14.213 1.00 61.23 H new ATOM 1152 N PRO A 75 -6.070 11.780 -12.998 1.00 2.44 N ATOM 1153 CA PRO A 75 -5.243 12.835 -13.592 1.00 60.10 C ATOM 1154 C PRO A 75 -6.072 13.858 -14.360 1.00 54.20 C ATOM 1155 O PRO A 75 -6.740 13.522 -15.338 1.00 21.03 O ATOM 1156 CB PRO A 75 -4.322 12.069 -14.545 1.00 75.33 C ATOM 1157 CG PRO A 75 -5.076 10.829 -14.885 1.00 51.43 C ATOM 1158 CD PRO A 75 -5.873 10.480 -13.659 1.00 24.42 C ATOM 0 HA PRO A 75 -4.711 13.411 -12.835 1.00 60.10 H new ATOM 0 HB2 PRO A 75 -4.100 12.655 -15.437 1.00 75.33 H new ATOM 0 HB3 PRO A 75 -3.368 11.835 -14.072 1.00 75.33 H new ATOM 0 HG2 PRO A 75 -5.730 10.992 -15.742 1.00 51.43 H new ATOM 0 HG3 PRO A 75 -4.396 10.020 -15.152 1.00 51.43 H new ATOM 0 HD2 PRO A 75 -6.823 10.013 -13.917 1.00 24.42 H new ATOM 0 HD3 PRO A 75 -5.337 9.780 -13.017 1.00 24.42 H new ATOM 1166 N MET A 76 -6.025 15.108 -13.911 1.00 50.33 N ATOM 1167 CA MET A 76 -6.772 16.181 -14.558 1.00 65.15 C ATOM 1168 C MET A 76 -6.214 16.469 -15.949 1.00 0.23 C ATOM 1169 O MET A 76 -5.040 16.808 -16.098 1.00 65.44 O ATOM 1170 CB MET A 76 -6.726 17.450 -13.705 1.00 32.21 C ATOM 1171 CG MET A 76 -7.380 18.651 -14.367 1.00 52.53 C ATOM 1172 SD MET A 76 -9.142 18.408 -14.663 1.00 12.33 S ATOM 1173 CE MET A 76 -9.610 20.027 -15.270 1.00 53.01 C ATOM 0 H MET A 76 -5.478 15.403 -13.102 1.00 50.33 H new ATOM 0 HA MET A 76 -7.808 15.858 -14.660 1.00 65.15 H new ATOM 0 HB2 MET A 76 -7.220 17.256 -12.753 1.00 32.21 H new ATOM 0 HB3 MET A 76 -5.687 17.690 -13.481 1.00 32.21 H new ATOM 0 HG2 MET A 76 -7.239 19.529 -13.737 1.00 52.53 H new ATOM 0 HG3 MET A 76 -6.881 18.855 -15.314 1.00 52.53 H new ATOM 0 HE1 MET A 76 -10.676 20.036 -15.498 1.00 53.01 H new ATOM 0 HE2 MET A 76 -9.395 20.777 -14.509 1.00 53.01 H new ATOM 0 HE3 MET A 76 -9.044 20.255 -16.173 1.00 53.01 H new ATOM 1183 N ILE A 77 -7.063 16.333 -16.962 1.00 21.33 N ATOM 1184 CA ILE A 77 -6.654 16.580 -18.339 1.00 31.51 C ATOM 1185 C ILE A 77 -6.848 18.044 -18.716 1.00 14.31 C ATOM 1186 O ILE A 77 -7.880 18.644 -18.411 1.00 25.41 O ATOM 1187 CB ILE A 77 -7.441 15.698 -19.326 1.00 54.24 C ATOM 1188 CG1 ILE A 77 -7.421 14.238 -18.869 1.00 41.20 C ATOM 1189 CG2 ILE A 77 -6.865 15.828 -20.728 1.00 64.12 C ATOM 1190 CD1 ILE A 77 -8.192 13.309 -19.780 1.00 30.32 C ATOM 0 H ILE A 77 -8.038 16.053 -16.855 1.00 21.33 H new ATOM 0 HA ILE A 77 -5.595 16.329 -18.404 1.00 31.51 H new ATOM 0 HB ILE A 77 -8.477 16.038 -19.347 1.00 54.24 H new ATOM 0 HG12 ILE A 77 -6.387 13.899 -18.809 1.00 41.20 H new ATOM 0 HG13 ILE A 77 -7.836 14.175 -17.863 1.00 41.20 H new ATOM 0 HG21 ILE A 77 -7.432 15.199 -21.414 1.00 64.12 H new ATOM 0 HG22 ILE A 77 -6.928 16.867 -21.052 1.00 64.12 H new ATOM 0 HG23 ILE A 77 -5.822 15.512 -20.724 1.00 64.12 H new ATOM 0 HD11 ILE A 77 -8.134 12.291 -19.395 1.00 30.32 H new ATOM 0 HD12 ILE A 77 -9.235 13.623 -19.821 1.00 30.32 H new ATOM 0 HD13 ILE A 77 -7.763 13.343 -20.781 1.00 30.32 H new ATOM 1202 N VAL A 78 -5.850 18.615 -19.383 1.00 55.31 N ATOM 1203 CA VAL A 78 -5.912 20.010 -19.805 1.00 72.52 C ATOM 1204 C VAL A 78 -6.804 20.174 -21.031 1.00 21.32 C ATOM 1205 O VAL A 78 -6.708 19.426 -22.004 1.00 22.20 O ATOM 1206 CB VAL A 78 -4.510 20.561 -20.126 1.00 54.32 C ATOM 1207 CG1 VAL A 78 -4.594 22.021 -20.545 1.00 51.21 C ATOM 1208 CG2 VAL A 78 -3.586 20.393 -18.930 1.00 45.52 C ATOM 0 H VAL A 78 -4.989 18.134 -19.643 1.00 55.31 H new ATOM 0 HA VAL A 78 -6.335 20.574 -18.974 1.00 72.52 H new ATOM 0 HB VAL A 78 -4.096 19.992 -20.959 1.00 54.32 H new ATOM 0 HG11 VAL A 78 -3.594 22.394 -20.768 1.00 51.21 H new ATOM 0 HG12 VAL A 78 -5.220 22.109 -21.433 1.00 51.21 H new ATOM 0 HG13 VAL A 78 -5.028 22.608 -19.735 1.00 51.21 H new ATOM 0 HG21 VAL A 78 -2.600 20.787 -19.174 1.00 45.52 H new ATOM 0 HG22 VAL A 78 -3.993 20.936 -18.077 1.00 45.52 H new ATOM 0 HG23 VAL A 78 -3.502 19.335 -18.681 1.00 45.52 H new ATOM 1218 N PRO A 79 -7.694 21.176 -20.985 1.00 44.51 N ATOM 1219 CA PRO A 79 -8.620 21.464 -22.084 1.00 62.44 C ATOM 1220 C PRO A 79 -7.907 22.021 -23.312 1.00 15.10 C ATOM 1221 O PRO A 79 -6.705 22.285 -23.279 1.00 11.41 O ATOM 1222 CB PRO A 79 -9.561 22.514 -21.490 1.00 35.23 C ATOM 1223 CG PRO A 79 -8.765 23.173 -20.417 1.00 61.30 C ATOM 1224 CD PRO A 79 -7.863 22.107 -19.857 1.00 15.41 C ATOM 0 HA PRO A 79 -9.129 20.566 -22.434 1.00 62.44 H new ATOM 0 HB2 PRO A 79 -9.879 23.233 -22.245 1.00 35.23 H new ATOM 0 HB3 PRO A 79 -10.464 22.054 -21.088 1.00 35.23 H new ATOM 0 HG2 PRO A 79 -8.185 24.005 -20.816 1.00 61.30 H new ATOM 0 HG3 PRO A 79 -9.415 23.580 -19.643 1.00 61.30 H new ATOM 0 HD2 PRO A 79 -6.909 22.519 -19.530 1.00 15.41 H new ATOM 0 HD3 PRO A 79 -8.310 21.615 -18.993 1.00 15.41 H new ATOM 1232 N THR A 80 -8.657 22.199 -24.396 1.00 23.32 N ATOM 1233 CA THR A 80 -8.097 22.724 -25.634 1.00 42.24 C ATOM 1234 C THR A 80 -6.687 22.193 -25.869 1.00 52.43 C ATOM 1235 O THR A 80 -5.787 22.940 -26.256 1.00 12.05 O ATOM 1236 CB THR A 80 -8.058 24.264 -25.625 1.00 12.03 C ATOM 1237 OG1 THR A 80 -7.538 24.749 -26.868 1.00 31.14 O ATOM 1238 CG2 THR A 80 -7.202 24.777 -24.476 1.00 73.34 C ATOM 0 H THR A 80 -9.654 21.987 -24.440 1.00 23.32 H new ATOM 0 HA THR A 80 -8.748 22.389 -26.442 1.00 42.24 H new ATOM 0 HB THR A 80 -9.076 24.630 -25.491 1.00 12.03 H new ATOM 0 HG1 THR A 80 -6.724 24.254 -27.097 1.00 31.14 H new ATOM 0 HG21 THR A 80 -7.189 25.867 -24.490 1.00 73.34 H new ATOM 0 HG22 THR A 80 -7.618 24.431 -23.530 1.00 73.34 H new ATOM 0 HG23 THR A 80 -6.185 24.401 -24.584 1.00 73.34 H new ATOM 1246 N THR A 81 -6.501 20.898 -25.634 1.00 44.24 N ATOM 1247 CA THR A 81 -5.200 20.267 -25.820 1.00 50.31 C ATOM 1248 C THR A 81 -4.635 20.568 -27.204 1.00 13.44 C ATOM 1249 O THR A 81 -3.474 20.953 -27.339 1.00 72.53 O ATOM 1250 CB THR A 81 -5.284 18.741 -25.634 1.00 34.44 C ATOM 1251 OG1 THR A 81 -5.929 18.434 -24.393 1.00 34.54 O ATOM 1252 CG2 THR A 81 -3.898 18.115 -25.659 1.00 30.11 C ATOM 0 H THR A 81 -7.235 20.266 -25.315 1.00 44.24 H new ATOM 0 HA THR A 81 -4.537 20.682 -25.061 1.00 50.31 H new ATOM 0 HB THR A 81 -5.866 18.328 -26.458 1.00 34.44 H new ATOM 0 HG1 THR A 81 -5.947 19.234 -23.827 1.00 34.54 H new ATOM 0 HG21 THR A 81 -3.983 17.037 -25.526 1.00 30.11 H new ATOM 0 HG22 THR A 81 -3.421 18.326 -26.616 1.00 30.11 H new ATOM 0 HG23 THR A 81 -3.295 18.534 -24.853 1.00 30.11 H new ATOM 1260 N GLU A 82 -5.465 20.392 -28.228 1.00 4.15 N ATOM 1261 CA GLU A 82 -5.046 20.646 -29.601 1.00 60.51 C ATOM 1262 C GLU A 82 -4.540 22.076 -29.760 1.00 42.35 C ATOM 1263 O GLU A 82 -4.494 22.609 -30.869 1.00 34.12 O ATOM 1264 CB GLU A 82 -6.206 20.393 -30.566 1.00 71.12 C ATOM 1265 CG GLU A 82 -6.806 19.002 -30.446 1.00 15.35 C ATOM 1266 CD GLU A 82 -7.971 18.785 -31.392 1.00 40.42 C ATOM 1267 OE1 GLU A 82 -7.770 18.909 -32.618 1.00 55.14 O ATOM 1268 OE2 GLU A 82 -9.083 18.492 -30.906 1.00 32.50 O ATOM 0 H GLU A 82 -6.430 20.075 -28.132 1.00 4.15 H new ATOM 0 HA GLU A 82 -4.230 19.963 -29.837 1.00 60.51 H new ATOM 0 HB2 GLU A 82 -6.986 21.133 -30.385 1.00 71.12 H new ATOM 0 HB3 GLU A 82 -5.857 20.542 -31.588 1.00 71.12 H new ATOM 0 HG2 GLU A 82 -6.035 18.259 -30.649 1.00 15.35 H new ATOM 0 HG3 GLU A 82 -7.141 18.842 -29.421 1.00 15.35 H new TER 1275 GLU A 82