USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 491 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 SER OG : rot 180:sc= -0.121 USER MOD Set 1.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.0883 USER MOD Set 2.2: A 41 LYS NZ :NH3+ 154:sc= -0.131 (180deg=-0.696) USER MOD Single : A 8 SER OG : rot 18:sc= 0.327 USER MOD Single : A 9 MET CE :methyl -152:sc= -0.838 (180deg=-2.09) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -38:sc= -1.26 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.00319 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 33 ASN : amide:sc= -1 X(o=-1,f=-1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0465) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 48 GLN : amide:sc= -0.0186 K(o=-0.019,f=-0.81) USER MOD Single : A 49 GLN : amide:sc= -1.84 X(o=-1.8,f=-1.7) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.7) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 70 GLN : amide:sc= -0.0207 K(o=-0.021,f=-0.59) USER MOD Single : A 71 LYS NZ :NH3+ -165:sc= -0.936 (180deg=-1.8) USER MOD Single : A 76 HIS : no HE2:sc= -0.805 X(o=-0.8,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 8 -0.272 17.837 -8.240 1.00 10.42 N ATOM 92 CA SER A 8 1.054 17.429 -8.685 1.00 45.42 C ATOM 93 C SER A 8 1.048 15.975 -9.150 1.00 5.13 C ATOM 94 O SER A 8 1.271 15.687 -10.326 1.00 63.40 O ATOM 95 CB SER A 8 2.072 17.610 -7.557 1.00 3.31 C ATOM 96 OG SER A 8 1.873 18.841 -6.884 1.00 41.15 O ATOM 0 HA SER A 8 1.338 18.061 -9.527 1.00 45.42 H new ATOM 0 HB2 SER A 8 1.985 16.786 -6.849 1.00 3.31 H new ATOM 0 HB3 SER A 8 3.082 17.574 -7.965 1.00 3.31 H new ATOM 0 HG SER A 8 0.973 19.177 -7.077 1.00 41.15 H new ATOM 101 N MET A 9 0.791 15.063 -8.218 1.00 33.34 N ATOM 102 CA MET A 9 0.754 13.640 -8.532 1.00 40.43 C ATOM 103 C MET A 9 -0.675 13.109 -8.479 1.00 60.04 C ATOM 104 O MET A 9 -1.400 13.348 -7.513 1.00 65.22 O ATOM 105 CB MET A 9 1.638 12.858 -7.558 1.00 32.50 C ATOM 106 CG MET A 9 2.771 13.683 -6.969 1.00 34.03 C ATOM 107 SD MET A 9 3.904 14.304 -8.226 1.00 3.22 S ATOM 108 CE MET A 9 4.344 12.785 -9.066 1.00 64.23 C ATOM 0 H MET A 9 0.605 15.284 -7.240 1.00 33.34 H new ATOM 0 HA MET A 9 1.135 13.506 -9.544 1.00 40.43 H new ATOM 0 HB2 MET A 9 1.019 12.474 -6.747 1.00 32.50 H new ATOM 0 HB3 MET A 9 2.058 11.995 -8.074 1.00 32.50 H new ATOM 0 HG2 MET A 9 2.353 14.524 -6.415 1.00 34.03 H new ATOM 0 HG3 MET A 9 3.325 13.074 -6.255 1.00 34.03 H new ATOM 0 HE1 MET A 9 5.341 12.882 -9.495 1.00 64.23 H new ATOM 0 HE2 MET A 9 4.334 11.960 -8.354 1.00 64.23 H new ATOM 0 HE3 MET A 9 3.625 12.587 -9.861 1.00 64.23 H new ATOM 116 N GLN A 10 -1.073 12.386 -9.521 1.00 24.51 N ATOM 117 CA GLN A 10 -2.416 11.823 -9.592 1.00 41.34 C ATOM 118 C GLN A 10 -2.368 10.350 -9.987 1.00 4.03 C ATOM 119 O GLN A 10 -1.538 9.943 -10.801 1.00 33.25 O ATOM 120 CB GLN A 10 -3.267 12.605 -10.593 1.00 0.41 C ATOM 121 CG GLN A 10 -3.462 14.065 -10.217 1.00 4.40 C ATOM 122 CD GLN A 10 -3.963 14.904 -11.376 1.00 32.10 C ATOM 123 OE1 GLN A 10 -3.201 15.651 -11.991 1.00 3.34 O ATOM 124 NE2 GLN A 10 -5.250 14.786 -11.681 1.00 22.50 N ATOM 0 H GLN A 10 -0.485 12.176 -10.327 1.00 24.51 H new ATOM 0 HA GLN A 10 -2.869 11.900 -8.603 1.00 41.34 H new ATOM 0 HB2 GLN A 10 -2.798 12.551 -11.576 1.00 0.41 H new ATOM 0 HB3 GLN A 10 -4.243 12.127 -10.679 1.00 0.41 H new ATOM 0 HG2 GLN A 10 -4.171 14.132 -9.392 1.00 4.40 H new ATOM 0 HG3 GLN A 10 -2.517 14.474 -9.859 1.00 4.40 H new ATOM 0 HE21 GLN A 10 -5.845 14.155 -11.145 1.00 22.50 H new ATOM 0 HE22 GLN A 10 -5.643 15.326 -12.452 1.00 22.50 H new ATOM 131 N ILE A 11 -3.261 9.557 -9.406 1.00 21.43 N ATOM 132 CA ILE A 11 -3.321 8.131 -9.699 1.00 40.10 C ATOM 133 C ILE A 11 -4.752 7.612 -9.616 1.00 31.33 C ATOM 134 O ILE A 11 -5.667 8.342 -9.234 1.00 72.33 O ATOM 135 CB ILE A 11 -2.436 7.321 -8.734 1.00 53.25 C ATOM 136 CG1 ILE A 11 -1.851 6.100 -9.447 1.00 61.14 C ATOM 137 CG2 ILE A 11 -3.236 6.894 -7.513 1.00 33.43 C ATOM 138 CD1 ILE A 11 -0.477 5.710 -8.947 1.00 34.12 C ATOM 0 H ILE A 11 -3.953 9.878 -8.729 1.00 21.43 H new ATOM 0 HA ILE A 11 -2.949 8.002 -10.715 1.00 40.10 H new ATOM 0 HB ILE A 11 -1.613 7.954 -8.402 1.00 53.25 H new ATOM 0 HG12 ILE A 11 -2.528 5.256 -9.320 1.00 61.14 H new ATOM 0 HG13 ILE A 11 -1.795 6.306 -10.516 1.00 61.14 H new ATOM 0 HG21 ILE A 11 -2.596 6.322 -6.841 1.00 33.43 H new ATOM 0 HG22 ILE A 11 -3.609 7.778 -6.995 1.00 33.43 H new ATOM 0 HG23 ILE A 11 -4.077 6.276 -7.827 1.00 33.43 H new ATOM 0 HD11 ILE A 11 -0.124 4.837 -9.496 1.00 34.12 H new ATOM 0 HD12 ILE A 11 0.214 6.539 -9.099 1.00 34.12 H new ATOM 0 HD13 ILE A 11 -0.530 5.473 -7.885 1.00 34.12 H new ATOM 149 N PHE A 12 -4.939 6.347 -9.974 1.00 11.40 N ATOM 150 CA PHE A 12 -6.259 5.728 -9.939 1.00 41.41 C ATOM 151 C PHE A 12 -6.384 4.780 -8.750 1.00 33.12 C ATOM 152 O PHE A 12 -5.611 3.833 -8.612 1.00 43.52 O ATOM 153 CB PHE A 12 -6.525 4.970 -11.241 1.00 50.25 C ATOM 154 CG PHE A 12 -7.737 5.457 -11.982 1.00 71.30 C ATOM 155 CD1 PHE A 12 -9.010 5.198 -11.502 1.00 14.51 C ATOM 156 CD2 PHE A 12 -7.602 6.177 -13.159 1.00 74.44 C ATOM 157 CE1 PHE A 12 -10.127 5.645 -12.183 1.00 53.14 C ATOM 158 CE2 PHE A 12 -8.715 6.627 -13.844 1.00 34.31 C ATOM 159 CZ PHE A 12 -9.979 6.362 -13.354 1.00 51.21 C ATOM 0 H PHE A 12 -4.192 5.729 -10.292 1.00 11.40 H new ATOM 0 HA PHE A 12 -7.001 6.519 -9.830 1.00 41.41 H new ATOM 0 HB2 PHE A 12 -5.653 5.060 -11.889 1.00 50.25 H new ATOM 0 HB3 PHE A 12 -6.648 3.910 -11.016 1.00 50.25 H new ATOM 0 HD1 PHE A 12 -9.132 4.640 -10.585 1.00 14.51 H new ATOM 0 HD2 PHE A 12 -6.616 6.389 -13.545 1.00 74.44 H new ATOM 0 HE1 PHE A 12 -11.114 5.434 -11.800 1.00 53.14 H new ATOM 0 HE2 PHE A 12 -8.597 7.185 -14.761 1.00 34.31 H new ATOM 0 HZ PHE A 12 -10.850 6.715 -13.886 1.00 51.21 H new ATOM 168 N VAL A 13 -7.365 5.042 -7.891 1.00 21.45 N ATOM 169 CA VAL A 13 -7.593 4.214 -6.714 1.00 11.34 C ATOM 170 C VAL A 13 -9.073 3.886 -6.551 1.00 51.41 C ATOM 171 O VAL A 13 -9.927 4.770 -6.612 1.00 0.45 O ATOM 172 CB VAL A 13 -7.089 4.907 -5.434 1.00 51.03 C ATOM 173 CG1 VAL A 13 -7.298 4.009 -4.223 1.00 2.55 C ATOM 174 CG2 VAL A 13 -5.623 5.289 -5.578 1.00 51.11 C ATOM 0 H VAL A 13 -8.015 5.822 -7.989 1.00 21.45 H new ATOM 0 HA VAL A 13 -7.033 3.291 -6.864 1.00 11.34 H new ATOM 0 HB VAL A 13 -7.666 5.819 -5.284 1.00 51.03 H new ATOM 0 HG11 VAL A 13 -6.936 4.515 -3.328 1.00 2.55 H new ATOM 0 HG12 VAL A 13 -8.360 3.790 -4.112 1.00 2.55 H new ATOM 0 HG13 VAL A 13 -6.748 3.078 -4.361 1.00 2.55 H new ATOM 0 HG21 VAL A 13 -5.283 5.778 -4.665 1.00 51.11 H new ATOM 0 HG22 VAL A 13 -5.029 4.392 -5.753 1.00 51.11 H new ATOM 0 HG23 VAL A 13 -5.506 5.971 -6.420 1.00 51.11 H new ATOM 184 N LYS A 14 -9.370 2.607 -6.344 1.00 61.04 N ATOM 185 CA LYS A 14 -10.747 2.160 -6.171 1.00 44.13 C ATOM 186 C LYS A 14 -10.937 1.500 -4.808 1.00 10.13 C ATOM 187 O LYS A 14 -10.269 0.517 -4.484 1.00 33.34 O ATOM 188 CB LYS A 14 -11.130 1.180 -7.282 1.00 71.44 C ATOM 189 CG LYS A 14 -11.269 1.832 -8.647 1.00 71.13 C ATOM 190 CD LYS A 14 -12.684 2.331 -8.885 1.00 32.31 C ATOM 191 CE LYS A 14 -12.750 3.270 -10.081 1.00 74.44 C ATOM 192 NZ LYS A 14 -12.660 2.531 -11.370 1.00 23.45 N ATOM 0 H LYS A 14 -8.675 1.862 -6.292 1.00 61.04 H new ATOM 0 HA LYS A 14 -11.396 3.034 -6.226 1.00 44.13 H new ATOM 0 HB2 LYS A 14 -10.376 0.395 -7.339 1.00 71.44 H new ATOM 0 HB3 LYS A 14 -12.072 0.698 -7.021 1.00 71.44 H new ATOM 0 HG2 LYS A 14 -10.570 2.665 -8.726 1.00 71.13 H new ATOM 0 HG3 LYS A 14 -11.000 1.115 -9.423 1.00 71.13 H new ATOM 0 HD2 LYS A 14 -13.347 1.482 -9.050 1.00 32.31 H new ATOM 0 HD3 LYS A 14 -13.043 2.848 -7.995 1.00 32.31 H new ATOM 0 HE2 LYS A 14 -13.682 3.834 -10.050 1.00 74.44 H new ATOM 0 HE3 LYS A 14 -11.938 3.994 -10.020 1.00 74.44 H new ATOM 0 HZ1 LYS A 14 -12.709 3.205 -12.161 1.00 23.45 H new ATOM 0 HZ2 LYS A 14 -11.759 2.013 -11.411 1.00 23.45 H new ATOM 0 HZ3 LYS A 14 -13.450 1.858 -11.440 1.00 23.45 H new ATOM 202 N THR A 15 -11.854 2.046 -4.014 1.00 64.40 N ATOM 203 CA THR A 15 -12.131 1.511 -2.688 1.00 34.02 C ATOM 204 C THR A 15 -12.975 0.244 -2.772 1.00 11.14 C ATOM 205 O THR A 15 -13.280 -0.240 -3.863 1.00 0.45 O ATOM 206 CB THR A 15 -12.861 2.542 -1.807 1.00 32.03 C ATOM 207 OG1 THR A 15 -14.204 2.720 -2.272 1.00 50.21 O ATOM 208 CG2 THR A 15 -12.133 3.878 -1.822 1.00 54.23 C ATOM 0 H THR A 15 -12.417 2.858 -4.267 1.00 64.40 H new ATOM 0 HA THR A 15 -11.168 1.274 -2.235 1.00 34.02 H new ATOM 0 HB THR A 15 -12.878 2.166 -0.784 1.00 32.03 H new ATOM 0 HG1 THR A 15 -14.217 2.694 -3.252 1.00 50.21 H new ATOM 0 HG21 THR A 15 -12.667 4.590 -1.193 1.00 54.23 H new ATOM 0 HG22 THR A 15 -11.121 3.745 -1.441 1.00 54.23 H new ATOM 0 HG23 THR A 15 -12.089 4.257 -2.843 1.00 54.23 H new ATOM 216 N LEU A 16 -13.351 -0.290 -1.615 1.00 25.21 N ATOM 217 CA LEU A 16 -14.161 -1.501 -1.558 1.00 43.13 C ATOM 218 C LEU A 16 -15.616 -1.200 -1.903 1.00 3.42 C ATOM 219 O LEU A 16 -16.314 -2.035 -2.480 1.00 25.22 O ATOM 220 CB LEU A 16 -14.075 -2.131 -0.166 1.00 11.04 C ATOM 221 CG LEU A 16 -12.669 -2.289 0.414 1.00 12.31 C ATOM 222 CD1 LEU A 16 -12.654 -1.911 1.887 1.00 24.11 C ATOM 223 CD2 LEU A 16 -12.171 -3.714 0.222 1.00 43.21 C ATOM 0 H LEU A 16 -13.107 0.097 -0.703 1.00 25.21 H new ATOM 0 HA LEU A 16 -13.770 -2.204 -2.293 1.00 43.13 H new ATOM 0 HB2 LEU A 16 -14.664 -1.525 0.522 1.00 11.04 H new ATOM 0 HB3 LEU A 16 -14.543 -3.115 -0.205 1.00 11.04 H new ATOM 0 HG LEU A 16 -11.998 -1.616 -0.119 1.00 12.31 H new ATOM 0 HD11 LEU A 16 -11.645 -2.030 2.283 1.00 24.11 H new ATOM 0 HD12 LEU A 16 -12.968 -0.873 2.000 1.00 24.11 H new ATOM 0 HD13 LEU A 16 -13.338 -2.559 2.436 1.00 24.11 H new ATOM 0 HD21 LEU A 16 -11.169 -3.809 0.640 1.00 43.21 H new ATOM 0 HD22 LEU A 16 -12.843 -4.406 0.730 1.00 43.21 H new ATOM 0 HD23 LEU A 16 -12.144 -3.950 -0.842 1.00 43.21 H new ATOM 234 N THR A 17 -16.067 0.000 -1.550 1.00 50.52 N ATOM 235 CA THR A 17 -17.437 0.411 -1.824 1.00 74.42 C ATOM 236 C THR A 17 -17.580 0.935 -3.248 1.00 65.53 C ATOM 237 O THR A 17 -18.631 0.793 -3.870 1.00 34.21 O ATOM 238 CB THR A 17 -17.904 1.500 -0.839 1.00 33.23 C ATOM 239 OG1 THR A 17 -19.326 1.647 -0.910 1.00 32.53 O ATOM 240 CG2 THR A 17 -17.235 2.831 -1.147 1.00 30.03 C ATOM 0 H THR A 17 -15.503 0.704 -1.074 1.00 50.52 H new ATOM 0 HA THR A 17 -18.063 -0.473 -1.701 1.00 74.42 H new ATOM 0 HB THR A 17 -17.621 1.194 0.168 1.00 33.23 H new ATOM 0 HG1 THR A 17 -19.615 2.340 -0.280 1.00 32.53 H new ATOM 0 HG21 THR A 17 -17.580 3.584 -0.439 1.00 30.03 H new ATOM 0 HG22 THR A 17 -16.154 2.723 -1.063 1.00 30.03 H new ATOM 0 HG23 THR A 17 -17.491 3.141 -2.160 1.00 30.03 H new ATOM 248 N GLY A 18 -16.514 1.543 -3.760 1.00 40.31 N ATOM 249 CA GLY A 18 -16.541 2.079 -5.108 1.00 51.12 C ATOM 250 C GLY A 18 -16.018 3.500 -5.178 1.00 45.24 C ATOM 251 O GLY A 18 -15.821 4.045 -6.265 1.00 62.21 O ATOM 0 H GLY A 18 -15.632 1.674 -3.265 1.00 40.31 H new ATOM 0 HA2 GLY A 18 -15.943 1.443 -5.761 1.00 51.12 H new ATOM 0 HA3 GLY A 18 -17.563 2.052 -5.486 1.00 51.12 H new ATOM 255 N LYS A 19 -15.793 4.104 -4.016 1.00 14.02 N ATOM 256 CA LYS A 19 -15.290 5.471 -3.948 1.00 52.05 C ATOM 257 C LYS A 19 -13.905 5.572 -4.579 1.00 20.45 C ATOM 258 O LYS A 19 -13.094 4.653 -4.474 1.00 60.15 O ATOM 259 CB LYS A 19 -15.236 5.944 -2.494 1.00 63.50 C ATOM 260 CG LYS A 19 -15.952 7.262 -2.256 1.00 61.22 C ATOM 261 CD LYS A 19 -17.446 7.137 -2.501 1.00 52.14 C ATOM 262 CE LYS A 19 -18.055 8.466 -2.924 1.00 54.44 C ATOM 263 NZ LYS A 19 -19.166 8.879 -2.023 1.00 61.14 N ATOM 0 H LYS A 19 -15.951 3.668 -3.108 1.00 14.02 H new ATOM 0 HA LYS A 19 -15.972 6.112 -4.507 1.00 52.05 H new ATOM 0 HB2 LYS A 19 -15.678 5.179 -1.855 1.00 63.50 H new ATOM 0 HB3 LYS A 19 -14.194 6.047 -2.193 1.00 63.50 H new ATOM 0 HG2 LYS A 19 -15.777 7.593 -1.232 1.00 61.22 H new ATOM 0 HG3 LYS A 19 -15.537 8.026 -2.913 1.00 61.22 H new ATOM 0 HD2 LYS A 19 -17.628 6.390 -3.274 1.00 52.14 H new ATOM 0 HD3 LYS A 19 -17.936 6.783 -1.594 1.00 52.14 H new ATOM 0 HE2 LYS A 19 -17.283 9.235 -2.925 1.00 54.44 H new ATOM 0 HE3 LYS A 19 -18.427 8.386 -3.946 1.00 54.44 H new ATOM 0 HZ1 LYS A 19 -19.554 9.789 -2.345 1.00 61.14 H new ATOM 0 HZ2 LYS A 19 -19.915 8.157 -2.042 1.00 61.14 H new ATOM 0 HZ3 LYS A 19 -18.807 8.980 -1.052 1.00 61.14 H new ATOM 273 N THR A 20 -13.640 6.698 -5.235 1.00 12.25 N ATOM 274 CA THR A 20 -12.354 6.921 -5.883 1.00 4.41 C ATOM 275 C THR A 20 -11.613 8.091 -5.247 1.00 34.54 C ATOM 276 O THR A 20 -12.193 9.153 -5.015 1.00 43.53 O ATOM 277 CB THR A 20 -12.524 7.193 -7.390 1.00 61.52 C ATOM 278 OG1 THR A 20 -13.533 6.336 -7.932 1.00 0.05 O ATOM 279 CG2 THR A 20 -11.213 6.973 -8.131 1.00 72.41 C ATOM 0 H THR A 20 -14.300 7.470 -5.331 1.00 12.25 H new ATOM 0 HA THR A 20 -11.771 6.010 -5.749 1.00 4.41 H new ATOM 0 HB THR A 20 -12.825 8.233 -7.517 1.00 61.52 H new ATOM 0 HG1 THR A 20 -13.636 6.517 -8.890 1.00 0.05 H new ATOM 0 HG21 THR A 20 -11.358 7.171 -9.193 1.00 72.41 H new ATOM 0 HG22 THR A 20 -10.454 7.648 -7.736 1.00 72.41 H new ATOM 0 HG23 THR A 20 -10.887 5.942 -7.995 1.00 72.41 H new ATOM 287 N ILE A 21 -10.329 7.891 -4.967 1.00 33.14 N ATOM 288 CA ILE A 21 -9.510 8.931 -4.359 1.00 62.22 C ATOM 289 C ILE A 21 -8.178 9.077 -5.087 1.00 51.14 C ATOM 290 O ILE A 21 -7.505 8.088 -5.379 1.00 15.24 O ATOM 291 CB ILE A 21 -9.240 8.637 -2.871 1.00 3.23 C ATOM 292 CG1 ILE A 21 -8.780 7.189 -2.690 1.00 10.22 C ATOM 293 CG2 ILE A 21 -10.486 8.911 -2.042 1.00 1.42 C ATOM 294 CD1 ILE A 21 -9.920 6.210 -2.522 1.00 74.32 C ATOM 0 H ILE A 21 -9.834 7.018 -5.152 1.00 33.14 H new ATOM 0 HA ILE A 21 -10.070 9.862 -4.441 1.00 62.22 H new ATOM 0 HB ILE A 21 -8.445 9.297 -2.524 1.00 3.23 H new ATOM 0 HG12 ILE A 21 -8.184 6.895 -3.554 1.00 10.22 H new ATOM 0 HG13 ILE A 21 -8.129 7.129 -1.818 1.00 10.22 H new ATOM 0 HG21 ILE A 21 -10.279 8.699 -0.993 1.00 1.42 H new ATOM 0 HG22 ILE A 21 -10.773 9.957 -2.151 1.00 1.42 H new ATOM 0 HG23 ILE A 21 -11.300 8.274 -2.387 1.00 1.42 H new ATOM 0 HD11 ILE A 21 -9.520 5.204 -2.399 1.00 74.32 H new ATOM 0 HD12 ILE A 21 -10.504 6.479 -1.642 1.00 74.32 H new ATOM 0 HD13 ILE A 21 -10.559 6.241 -3.404 1.00 74.32 H new ATOM 305 N THR A 22 -7.800 10.319 -5.375 1.00 51.33 N ATOM 306 CA THR A 22 -6.548 10.595 -6.068 1.00 11.01 C ATOM 307 C THR A 22 -5.365 10.543 -5.107 1.00 4.42 C ATOM 308 O THR A 22 -5.308 11.298 -4.136 1.00 72.44 O ATOM 309 CB THR A 22 -6.578 11.973 -6.755 1.00 22.40 C ATOM 310 OG1 THR A 22 -7.857 12.587 -6.565 1.00 12.10 O ATOM 311 CG2 THR A 22 -6.287 11.844 -8.242 1.00 72.32 C ATOM 0 H THR A 22 -8.343 11.149 -5.139 1.00 51.33 H new ATOM 0 HA THR A 22 -6.430 9.822 -6.827 1.00 11.01 H new ATOM 0 HB THR A 22 -5.806 12.596 -6.304 1.00 22.40 H new ATOM 0 HG1 THR A 22 -7.867 13.463 -7.003 1.00 12.10 H new ATOM 0 HG21 THR A 22 -6.314 12.830 -8.705 1.00 72.32 H new ATOM 0 HG22 THR A 22 -5.300 11.404 -8.383 1.00 72.32 H new ATOM 0 HG23 THR A 22 -7.039 11.205 -8.706 1.00 72.32 H new ATOM 319 N LEU A 23 -4.422 9.650 -5.385 1.00 3.42 N ATOM 320 CA LEU A 23 -3.238 9.501 -4.546 1.00 12.31 C ATOM 321 C LEU A 23 -1.972 9.840 -5.325 1.00 2.40 C ATOM 322 O LEU A 23 -1.961 9.809 -6.556 1.00 75.22 O ATOM 323 CB LEU A 23 -3.151 8.074 -4.004 1.00 61.25 C ATOM 324 CG LEU A 23 -4.414 7.531 -3.334 1.00 43.22 C ATOM 325 CD1 LEU A 23 -4.114 6.232 -2.603 1.00 42.45 C ATOM 326 CD2 LEU A 23 -4.995 8.561 -2.376 1.00 24.13 C ATOM 0 H LEU A 23 -4.454 9.018 -6.185 1.00 3.42 H new ATOM 0 HA LEU A 23 -3.324 10.196 -3.711 1.00 12.31 H new ATOM 0 HB2 LEU A 23 -2.887 7.410 -4.827 1.00 61.25 H new ATOM 0 HB3 LEU A 23 -2.334 8.030 -3.284 1.00 61.25 H new ATOM 0 HG LEU A 23 -5.153 7.326 -4.109 1.00 43.22 H new ATOM 0 HD11 LEU A 23 -5.024 5.861 -2.133 1.00 42.45 H new ATOM 0 HD12 LEU A 23 -3.745 5.492 -3.313 1.00 42.45 H new ATOM 0 HD13 LEU A 23 -3.358 6.411 -1.839 1.00 42.45 H new ATOM 0 HD21 LEU A 23 -5.893 8.157 -1.909 1.00 24.13 H new ATOM 0 HD22 LEU A 23 -4.260 8.797 -1.606 1.00 24.13 H new ATOM 0 HD23 LEU A 23 -5.248 9.467 -2.926 1.00 24.13 H new ATOM 337 N GLU A 24 -0.905 10.161 -4.600 1.00 61.11 N ATOM 338 CA GLU A 24 0.367 10.504 -5.224 1.00 41.44 C ATOM 339 C GLU A 24 1.243 9.265 -5.394 1.00 74.04 C ATOM 340 O GLU A 24 1.150 8.316 -4.615 1.00 41.33 O ATOM 341 CB GLU A 24 1.105 11.552 -4.388 1.00 2.43 C ATOM 342 CG GLU A 24 1.460 11.076 -2.990 1.00 74.21 C ATOM 343 CD GLU A 24 2.398 12.025 -2.271 1.00 61.45 C ATOM 344 OE1 GLU A 24 3.594 12.061 -2.626 1.00 51.21 O ATOM 345 OE2 GLU A 24 1.935 12.733 -1.351 1.00 11.41 O ATOM 0 H GLU A 24 -0.896 10.191 -3.580 1.00 61.11 H new ATOM 0 HA GLU A 24 0.157 10.918 -6.210 1.00 41.44 H new ATOM 0 HB2 GLU A 24 2.019 11.841 -4.907 1.00 2.43 H new ATOM 0 HB3 GLU A 24 0.486 12.446 -4.312 1.00 2.43 H new ATOM 0 HG2 GLU A 24 0.547 10.962 -2.406 1.00 74.21 H new ATOM 0 HG3 GLU A 24 1.923 10.091 -3.052 1.00 74.21 H new ATOM 350 N VAL A 25 2.091 9.282 -6.416 1.00 11.11 N ATOM 351 CA VAL A 25 2.983 8.162 -6.689 1.00 55.45 C ATOM 352 C VAL A 25 4.314 8.643 -7.253 1.00 51.43 C ATOM 353 O VAL A 25 4.381 9.679 -7.913 1.00 2.25 O ATOM 354 CB VAL A 25 2.348 7.166 -7.678 1.00 22.15 C ATOM 355 CG1 VAL A 25 1.817 7.896 -8.903 1.00 73.20 C ATOM 356 CG2 VAL A 25 3.355 6.099 -8.080 1.00 74.05 C ATOM 0 H VAL A 25 2.179 10.060 -7.070 1.00 11.11 H new ATOM 0 HA VAL A 25 3.156 7.658 -5.738 1.00 55.45 H new ATOM 0 HB VAL A 25 1.510 6.675 -7.184 1.00 22.15 H new ATOM 0 HG11 VAL A 25 1.372 7.177 -9.591 1.00 73.20 H new ATOM 0 HG12 VAL A 25 1.062 8.620 -8.596 1.00 73.20 H new ATOM 0 HG13 VAL A 25 2.636 8.415 -9.401 1.00 73.20 H new ATOM 0 HG21 VAL A 25 2.889 5.404 -8.779 1.00 74.05 H new ATOM 0 HG22 VAL A 25 4.215 6.571 -8.556 1.00 74.05 H new ATOM 0 HG23 VAL A 25 3.684 5.556 -7.194 1.00 74.05 H new ATOM 366 N GLU A 26 5.373 7.883 -6.988 1.00 22.21 N ATOM 367 CA GLU A 26 6.703 8.234 -7.470 1.00 42.13 C ATOM 368 C GLU A 26 7.673 7.070 -7.286 1.00 53.10 C ATOM 369 O GLU A 26 7.490 6.206 -6.427 1.00 63.11 O ATOM 370 CB GLU A 26 7.227 9.469 -6.734 1.00 70.00 C ATOM 371 CG GLU A 26 7.315 10.707 -7.610 1.00 32.45 C ATOM 372 CD GLU A 26 8.458 11.622 -7.215 1.00 11.23 C ATOM 373 OE1 GLU A 26 9.613 11.146 -7.179 1.00 35.32 O ATOM 374 OE2 GLU A 26 8.200 12.812 -6.943 1.00 1.05 O ATOM 0 H GLU A 26 5.335 7.022 -6.443 1.00 22.21 H new ATOM 0 HA GLU A 26 6.628 8.458 -8.534 1.00 42.13 H new ATOM 0 HB2 GLU A 26 6.576 9.680 -5.886 1.00 70.00 H new ATOM 0 HB3 GLU A 26 8.215 9.249 -6.330 1.00 70.00 H new ATOM 0 HG2 GLU A 26 7.440 10.404 -8.649 1.00 32.45 H new ATOM 0 HG3 GLU A 26 6.376 11.258 -7.549 1.00 32.45 H new ATOM 379 N PRO A 27 8.730 7.044 -8.111 1.00 11.44 N ATOM 380 CA PRO A 27 9.749 5.992 -8.060 1.00 1.23 C ATOM 381 C PRO A 27 10.609 6.078 -6.805 1.00 63.54 C ATOM 382 O PRO A 27 11.119 5.069 -6.319 1.00 62.50 O ATOM 383 CB PRO A 27 10.596 6.256 -9.308 1.00 20.33 C ATOM 384 CG PRO A 27 10.413 7.708 -9.588 1.00 24.43 C ATOM 385 CD PRO A 27 9.011 8.040 -9.159 1.00 55.22 C ATOM 0 HA PRO A 27 9.305 4.997 -8.032 1.00 1.23 H new ATOM 0 HB2 PRO A 27 11.645 6.015 -9.133 1.00 20.33 H new ATOM 0 HB3 PRO A 27 10.265 5.646 -10.148 1.00 20.33 H new ATOM 0 HG2 PRO A 27 11.141 8.306 -9.039 1.00 24.43 H new ATOM 0 HG3 PRO A 27 10.558 7.922 -10.647 1.00 24.43 H new ATOM 0 HD2 PRO A 27 8.938 9.058 -8.776 1.00 55.22 H new ATOM 0 HD3 PRO A 27 8.308 7.961 -9.988 1.00 55.22 H new ATOM 390 N SER A 28 10.765 7.291 -6.282 1.00 3.43 N ATOM 391 CA SER A 28 11.567 7.510 -5.085 1.00 64.32 C ATOM 392 C SER A 28 10.675 7.735 -3.868 1.00 33.25 C ATOM 393 O SER A 28 11.134 7.673 -2.727 1.00 52.12 O ATOM 394 CB SER A 28 12.497 8.709 -5.279 1.00 31.11 C ATOM 395 OG SER A 28 11.819 9.783 -5.907 1.00 20.15 O ATOM 0 H SER A 28 10.346 8.137 -6.669 1.00 3.43 H new ATOM 0 HA SER A 28 12.169 6.618 -4.913 1.00 64.32 H new ATOM 0 HB2 SER A 28 12.883 9.034 -4.313 1.00 31.11 H new ATOM 0 HB3 SER A 28 13.355 8.414 -5.883 1.00 31.11 H new ATOM 0 HG SER A 28 12.434 10.538 -6.018 1.00 20.15 H new ATOM 400 N ASP A 29 9.397 8.000 -4.119 1.00 4.13 N ATOM 401 CA ASP A 29 8.439 8.234 -3.046 1.00 63.21 C ATOM 402 C ASP A 29 7.669 6.960 -2.717 1.00 12.43 C ATOM 403 O ASP A 29 7.189 6.263 -3.612 1.00 41.41 O ATOM 404 CB ASP A 29 7.465 9.347 -3.437 1.00 44.04 C ATOM 405 CG ASP A 29 7.198 10.309 -2.297 1.00 70.43 C ATOM 406 OD1 ASP A 29 7.702 10.062 -1.181 1.00 33.13 O ATOM 407 OD2 ASP A 29 6.484 11.310 -2.519 1.00 34.13 O ATOM 0 H ASP A 29 9.001 8.058 -5.057 1.00 4.13 H new ATOM 0 HA ASP A 29 8.993 8.541 -2.159 1.00 63.21 H new ATOM 0 HB2 ASP A 29 7.869 9.898 -4.286 1.00 44.04 H new ATOM 0 HB3 ASP A 29 6.524 8.904 -3.763 1.00 44.04 H new ATOM 411 N THR A 30 7.554 6.659 -1.427 1.00 1.30 N ATOM 412 CA THR A 30 6.844 5.467 -0.980 1.00 24.43 C ATOM 413 C THR A 30 5.451 5.816 -0.469 1.00 70.14 C ATOM 414 O THR A 30 5.085 6.989 -0.390 1.00 75.41 O ATOM 415 CB THR A 30 7.619 4.736 0.133 1.00 31.24 C ATOM 416 OG1 THR A 30 7.009 3.469 0.403 1.00 71.20 O ATOM 417 CG2 THR A 30 7.655 5.570 1.404 1.00 34.52 C ATOM 0 H THR A 30 7.944 7.225 -0.673 1.00 1.30 H new ATOM 0 HA THR A 30 6.756 4.809 -1.844 1.00 24.43 H new ATOM 0 HB THR A 30 8.642 4.580 -0.208 1.00 31.24 H new ATOM 0 HG1 THR A 30 7.508 3.010 1.110 1.00 71.20 H new ATOM 0 HG21 THR A 30 8.207 5.034 2.176 1.00 34.52 H new ATOM 0 HG22 THR A 30 8.146 6.522 1.201 1.00 34.52 H new ATOM 0 HG23 THR A 30 6.637 5.754 1.748 1.00 34.52 H new ATOM 425 N ILE A 31 4.679 4.791 -0.122 1.00 62.50 N ATOM 426 CA ILE A 31 3.328 4.992 0.383 1.00 15.20 C ATOM 427 C ILE A 31 3.312 6.000 1.527 1.00 33.34 C ATOM 428 O ILE A 31 2.305 6.666 1.766 1.00 13.12 O ATOM 429 CB ILE A 31 2.708 3.669 0.873 1.00 12.52 C ATOM 430 CG1 ILE A 31 2.826 2.594 -0.210 1.00 5.42 C ATOM 431 CG2 ILE A 31 1.252 3.878 1.263 1.00 4.41 C ATOM 432 CD1 ILE A 31 2.303 3.036 -1.560 1.00 62.40 C ATOM 0 H ILE A 31 4.967 3.814 -0.182 1.00 62.50 H new ATOM 0 HA ILE A 31 2.736 5.378 -0.447 1.00 15.20 H new ATOM 0 HB ILE A 31 3.255 3.333 1.754 1.00 12.52 H new ATOM 0 HG12 ILE A 31 3.872 2.305 -0.311 1.00 5.42 H new ATOM 0 HG13 ILE A 31 2.280 1.706 0.109 1.00 5.42 H new ATOM 0 HG21 ILE A 31 0.828 2.934 1.607 1.00 4.41 H new ATOM 0 HG22 ILE A 31 1.192 4.616 2.063 1.00 4.41 H new ATOM 0 HG23 ILE A 31 0.691 4.234 0.399 1.00 4.41 H new ATOM 0 HD11 ILE A 31 2.418 2.224 -2.278 1.00 62.40 H new ATOM 0 HD12 ILE A 31 1.248 3.297 -1.474 1.00 62.40 H new ATOM 0 HD13 ILE A 31 2.865 3.905 -1.901 1.00 62.40 H new ATOM 443 N GLU A 32 4.436 6.109 2.229 1.00 34.22 N ATOM 444 CA GLU A 32 4.550 7.038 3.346 1.00 71.13 C ATOM 445 C GLU A 32 4.079 8.433 2.945 1.00 30.33 C ATOM 446 O GLU A 32 3.238 9.033 3.615 1.00 51.34 O ATOM 447 CB GLU A 32 5.996 7.099 3.841 1.00 64.13 C ATOM 448 CG GLU A 32 6.458 5.827 4.532 1.00 63.50 C ATOM 449 CD GLU A 32 7.969 5.723 4.613 1.00 51.11 C ATOM 450 OE1 GLU A 32 8.631 6.773 4.740 1.00 1.02 O ATOM 451 OE2 GLU A 32 8.488 4.589 4.550 1.00 2.11 O ATOM 0 H GLU A 32 5.279 5.566 2.044 1.00 34.22 H new ATOM 0 HA GLU A 32 3.912 6.676 4.152 1.00 71.13 H new ATOM 0 HB2 GLU A 32 6.652 7.301 2.995 1.00 64.13 H new ATOM 0 HB3 GLU A 32 6.099 7.936 4.532 1.00 64.13 H new ATOM 0 HG2 GLU A 32 6.041 5.793 5.538 1.00 63.50 H new ATOM 0 HG3 GLU A 32 6.066 4.963 3.995 1.00 63.50 H new ATOM 456 N ASN A 33 4.626 8.944 1.848 1.00 41.44 N ATOM 457 CA ASN A 33 4.264 10.268 1.356 1.00 73.13 C ATOM 458 C ASN A 33 2.817 10.291 0.872 1.00 61.25 C ATOM 459 O ASN A 33 2.148 11.323 0.929 1.00 45.24 O ATOM 460 CB ASN A 33 5.199 10.688 0.222 1.00 64.45 C ATOM 461 CG ASN A 33 6.316 11.596 0.700 1.00 64.51 C ATOM 462 OD1 ASN A 33 7.195 11.174 1.453 1.00 5.12 O ATOM 463 ND2 ASN A 33 6.286 12.851 0.266 1.00 2.33 N ATOM 0 H ASN A 33 5.323 8.461 1.282 1.00 41.44 H new ATOM 0 HA ASN A 33 4.365 10.974 2.180 1.00 73.13 H new ATOM 0 HB2 ASN A 33 5.629 9.799 -0.239 1.00 64.45 H new ATOM 0 HB3 ASN A 33 4.623 11.200 -0.549 1.00 64.45 H new ATOM 0 HD21 ASN A 33 7.010 13.508 0.556 1.00 2.33 H new ATOM 0 HD22 ASN A 33 5.539 13.157 -0.357 1.00 2.33 H new ATOM 469 N VAL A 34 2.339 9.145 0.397 1.00 4.25 N ATOM 470 CA VAL A 34 0.972 9.033 -0.095 1.00 2.40 C ATOM 471 C VAL A 34 -0.036 9.244 1.028 1.00 20.33 C ATOM 472 O VAL A 34 -1.134 9.757 0.806 1.00 3.41 O ATOM 473 CB VAL A 34 0.720 7.659 -0.745 1.00 13.00 C ATOM 474 CG1 VAL A 34 -0.673 7.602 -1.352 1.00 13.44 C ATOM 475 CG2 VAL A 34 1.780 7.364 -1.794 1.00 44.43 C ATOM 0 H VAL A 34 2.879 8.281 0.343 1.00 4.25 H new ATOM 0 HA VAL A 34 0.842 9.812 -0.846 1.00 2.40 H new ATOM 0 HB VAL A 34 0.784 6.894 0.029 1.00 13.00 H new ATOM 0 HG11 VAL A 34 -0.832 6.624 -1.806 1.00 13.44 H new ATOM 0 HG12 VAL A 34 -1.417 7.765 -0.572 1.00 13.44 H new ATOM 0 HG13 VAL A 34 -0.770 8.376 -2.113 1.00 13.44 H new ATOM 0 HG21 VAL A 34 1.587 6.390 -2.243 1.00 44.43 H new ATOM 0 HG22 VAL A 34 1.751 8.132 -2.567 1.00 44.43 H new ATOM 0 HG23 VAL A 34 2.764 7.359 -1.325 1.00 44.43 H new ATOM 485 N LYS A 35 0.343 8.846 2.238 1.00 3.02 N ATOM 486 CA LYS A 35 -0.527 8.993 3.399 1.00 50.15 C ATOM 487 C LYS A 35 -1.057 10.419 3.506 1.00 0.15 C ATOM 488 O LYS A 35 -2.141 10.649 4.039 1.00 12.35 O ATOM 489 CB LYS A 35 0.229 8.622 4.677 1.00 73.12 C ATOM 490 CG LYS A 35 0.928 7.275 4.603 1.00 3.23 C ATOM 491 CD LYS A 35 1.521 6.879 5.944 1.00 22.22 C ATOM 492 CE LYS A 35 2.696 7.770 6.318 1.00 34.50 C ATOM 493 NZ LYS A 35 2.749 8.032 7.784 1.00 41.52 N ATOM 0 H LYS A 35 1.247 8.419 2.440 1.00 3.02 H new ATOM 0 HA LYS A 35 -1.374 8.318 3.275 1.00 50.15 H new ATOM 0 HB2 LYS A 35 0.969 9.394 4.888 1.00 73.12 H new ATOM 0 HB3 LYS A 35 -0.470 8.613 5.513 1.00 73.12 H new ATOM 0 HG2 LYS A 35 0.219 6.514 4.279 1.00 3.23 H new ATOM 0 HG3 LYS A 35 1.718 7.315 3.853 1.00 3.23 H new ATOM 0 HD2 LYS A 35 0.754 6.943 6.716 1.00 22.22 H new ATOM 0 HD3 LYS A 35 1.848 5.840 5.906 1.00 22.22 H new ATOM 0 HE2 LYS A 35 3.625 7.298 6.000 1.00 34.50 H new ATOM 0 HE3 LYS A 35 2.619 8.716 5.782 1.00 34.50 H new ATOM 0 HZ1 LYS A 35 3.563 8.643 7.998 1.00 41.52 H new ATOM 0 HZ2 LYS A 35 1.873 8.505 8.084 1.00 41.52 H new ATOM 0 HZ3 LYS A 35 2.848 7.131 8.294 1.00 41.52 H new ATOM 503 N ALA A 36 -0.286 11.372 2.992 1.00 51.12 N ATOM 504 CA ALA A 36 -0.680 12.774 3.027 1.00 22.33 C ATOM 505 C ALA A 36 -1.750 13.070 1.981 1.00 10.41 C ATOM 506 O ALA A 36 -2.771 13.690 2.279 1.00 71.44 O ATOM 507 CB ALA A 36 0.532 13.669 2.811 1.00 12.01 C ATOM 0 H ALA A 36 0.615 11.198 2.547 1.00 51.12 H new ATOM 0 HA ALA A 36 -1.102 12.982 4.010 1.00 22.33 H new ATOM 0 HB1 ALA A 36 0.223 14.714 2.840 1.00 12.01 H new ATOM 0 HB2 ALA A 36 1.264 13.486 3.597 1.00 12.01 H new ATOM 0 HB3 ALA A 36 0.978 13.449 1.841 1.00 12.01 H new ATOM 513 N LYS A 37 -1.510 12.623 0.753 1.00 55.22 N ATOM 514 CA LYS A 37 -2.453 12.838 -0.337 1.00 1.54 C ATOM 515 C LYS A 37 -3.761 12.095 -0.081 1.00 0.42 C ATOM 516 O LYS A 37 -4.843 12.674 -0.181 1.00 34.22 O ATOM 517 CB LYS A 37 -1.844 12.377 -1.664 1.00 52.32 C ATOM 518 CG LYS A 37 -1.052 13.457 -2.378 1.00 22.23 C ATOM 519 CD LYS A 37 -1.644 13.775 -3.741 1.00 72.23 C ATOM 520 CE LYS A 37 -2.589 14.964 -3.674 1.00 23.54 C ATOM 521 NZ LYS A 37 -1.851 16.251 -3.534 1.00 51.12 N ATOM 0 H LYS A 37 -0.670 12.109 0.488 1.00 55.22 H new ATOM 0 HA LYS A 37 -2.667 13.905 -0.393 1.00 1.54 H new ATOM 0 HB2 LYS A 37 -1.192 11.524 -1.478 1.00 52.32 H new ATOM 0 HB3 LYS A 37 -2.643 12.031 -2.320 1.00 52.32 H new ATOM 0 HG2 LYS A 37 -1.035 14.360 -1.768 1.00 22.23 H new ATOM 0 HG3 LYS A 37 -0.018 13.133 -2.496 1.00 22.23 H new ATOM 0 HD2 LYS A 37 -0.841 13.986 -4.447 1.00 72.23 H new ATOM 0 HD3 LYS A 37 -2.180 12.904 -4.118 1.00 72.23 H new ATOM 0 HE2 LYS A 37 -3.202 14.993 -4.575 1.00 23.54 H new ATOM 0 HE3 LYS A 37 -3.268 14.841 -2.831 1.00 23.54 H new ATOM 0 HZ1 LYS A 37 -2.507 17.045 -3.678 1.00 51.12 H new ATOM 0 HZ2 LYS A 37 -1.437 16.312 -2.582 1.00 51.12 H new ATOM 0 HZ3 LYS A 37 -1.093 16.295 -4.244 1.00 51.12 H new ATOM 531 N ILE A 38 -3.653 10.813 0.250 1.00 64.24 N ATOM 532 CA ILE A 38 -4.826 9.994 0.523 1.00 14.35 C ATOM 533 C ILE A 38 -5.608 10.534 1.716 1.00 52.21 C ATOM 534 O ILE A 38 -6.829 10.391 1.786 1.00 3.43 O ATOM 535 CB ILE A 38 -4.440 8.528 0.798 1.00 65.32 C ATOM 536 CG1 ILE A 38 -5.683 7.637 0.775 1.00 44.15 C ATOM 537 CG2 ILE A 38 -3.723 8.413 2.135 1.00 51.24 C ATOM 538 CD1 ILE A 38 -6.314 7.446 2.135 1.00 74.41 C ATOM 0 H ILE A 38 -2.765 10.319 0.336 1.00 64.24 H new ATOM 0 HA ILE A 38 -5.452 10.035 -0.368 1.00 14.35 H new ATOM 0 HB ILE A 38 -3.762 8.192 0.013 1.00 65.32 H new ATOM 0 HG12 ILE A 38 -6.420 8.072 0.100 1.00 44.15 H new ATOM 0 HG13 ILE A 38 -5.414 6.662 0.368 1.00 44.15 H new ATOM 0 HG21 ILE A 38 -3.456 7.372 2.316 1.00 51.24 H new ATOM 0 HG22 ILE A 38 -2.819 9.021 2.116 1.00 51.24 H new ATOM 0 HG23 ILE A 38 -4.380 8.763 2.931 1.00 51.24 H new ATOM 0 HD11 ILE A 38 -7.190 6.804 2.043 1.00 74.41 H new ATOM 0 HD12 ILE A 38 -5.593 6.982 2.809 1.00 74.41 H new ATOM 0 HD13 ILE A 38 -6.615 8.414 2.536 1.00 74.41 H new ATOM 549 N GLN A 39 -4.897 11.155 2.650 1.00 70.54 N ATOM 550 CA GLN A 39 -5.525 11.719 3.840 1.00 53.32 C ATOM 551 C GLN A 39 -6.385 12.926 3.482 1.00 5.41 C ATOM 552 O GLN A 39 -7.424 13.165 4.097 1.00 60.30 O ATOM 553 CB GLN A 39 -4.461 12.119 4.863 1.00 22.44 C ATOM 554 CG GLN A 39 -5.012 12.921 6.031 1.00 42.04 C ATOM 555 CD GLN A 39 -3.969 13.186 7.101 1.00 15.45 C ATOM 556 OE1 GLN A 39 -2.841 12.700 7.017 1.00 12.12 O ATOM 557 NE2 GLN A 39 -4.343 13.960 8.112 1.00 73.00 N ATOM 0 H GLN A 39 -3.886 11.281 2.607 1.00 70.54 H new ATOM 0 HA GLN A 39 -6.169 10.956 4.277 1.00 53.32 H new ATOM 0 HB2 GLN A 39 -3.980 11.219 5.246 1.00 22.44 H new ATOM 0 HB3 GLN A 39 -3.690 12.704 4.363 1.00 22.44 H new ATOM 0 HG2 GLN A 39 -5.400 13.871 5.664 1.00 42.04 H new ATOM 0 HG3 GLN A 39 -5.851 12.383 6.472 1.00 42.04 H new ATOM 0 HE21 GLN A 39 -5.289 14.341 8.140 1.00 73.00 H new ATOM 0 HE22 GLN A 39 -3.685 14.174 8.861 1.00 73.00 H new ATOM 564 N ASP A 40 -5.944 13.685 2.484 1.00 43.45 N ATOM 565 CA ASP A 40 -6.673 14.868 2.043 1.00 34.31 C ATOM 566 C ASP A 40 -7.885 14.477 1.204 1.00 32.54 C ATOM 567 O ASP A 40 -8.877 15.205 1.152 1.00 14.45 O ATOM 568 CB ASP A 40 -5.755 15.789 1.238 1.00 74.30 C ATOM 569 CG ASP A 40 -5.936 17.250 1.601 1.00 54.13 C ATOM 570 OD1 ASP A 40 -7.079 17.745 1.510 1.00 33.21 O ATOM 571 OD2 ASP A 40 -4.936 17.897 1.976 1.00 2.21 O ATOM 0 H ASP A 40 -5.085 13.502 1.965 1.00 43.45 H new ATOM 0 HA ASP A 40 -7.022 15.400 2.928 1.00 34.31 H new ATOM 0 HB2 ASP A 40 -4.717 15.501 1.408 1.00 74.30 H new ATOM 0 HB3 ASP A 40 -5.953 15.655 0.175 1.00 74.30 H new ATOM 575 N LYS A 41 -7.799 13.325 0.549 1.00 22.15 N ATOM 576 CA LYS A 41 -8.889 12.837 -0.289 1.00 64.55 C ATOM 577 C LYS A 41 -10.055 12.352 0.566 1.00 0.13 C ATOM 578 O LYS A 41 -11.185 12.811 0.405 1.00 31.14 O ATOM 579 CB LYS A 41 -8.396 11.703 -1.191 1.00 55.02 C ATOM 580 CG LYS A 41 -7.927 12.172 -2.557 1.00 75.20 C ATOM 581 CD LYS A 41 -6.787 13.170 -2.443 1.00 13.31 C ATOM 582 CE LYS A 41 -6.601 13.954 -3.732 1.00 34.13 C ATOM 583 NZ LYS A 41 -7.807 14.761 -4.068 1.00 33.34 N ATOM 0 H LYS A 41 -6.985 12.711 0.582 1.00 22.15 H new ATOM 0 HA LYS A 41 -9.236 13.662 -0.911 1.00 64.55 H new ATOM 0 HB2 LYS A 41 -7.577 11.184 -0.693 1.00 55.02 H new ATOM 0 HB3 LYS A 41 -9.200 10.978 -1.321 1.00 55.02 H new ATOM 0 HG2 LYS A 41 -7.603 11.314 -3.146 1.00 75.20 H new ATOM 0 HG3 LYS A 41 -8.760 12.629 -3.091 1.00 75.20 H new ATOM 0 HD2 LYS A 41 -6.986 13.859 -1.622 1.00 13.31 H new ATOM 0 HD3 LYS A 41 -5.864 12.643 -2.200 1.00 13.31 H new ATOM 0 HE2 LYS A 41 -5.738 14.613 -3.635 1.00 34.13 H new ATOM 0 HE3 LYS A 41 -6.386 13.265 -4.549 1.00 34.13 H new ATOM 0 HZ1 LYS A 41 -7.528 15.578 -4.648 1.00 33.34 H new ATOM 0 HZ2 LYS A 41 -8.481 14.174 -4.600 1.00 33.34 H new ATOM 0 HZ3 LYS A 41 -8.256 15.096 -3.192 1.00 33.34 H new ATOM 593 N GLU A 42 -9.773 11.424 1.474 1.00 65.25 N ATOM 594 CA GLU A 42 -10.801 10.878 2.353 1.00 44.13 C ATOM 595 C GLU A 42 -10.378 10.987 3.815 1.00 32.50 C ATOM 596 O GLU A 42 -11.207 11.220 4.696 1.00 44.22 O ATOM 597 CB GLU A 42 -11.082 9.417 2.000 1.00 42.44 C ATOM 598 CG GLU A 42 -12.072 9.245 0.861 1.00 22.10 C ATOM 599 CD GLU A 42 -12.206 7.801 0.417 1.00 34.43 C ATOM 600 OE1 GLU A 42 -11.286 7.006 0.695 1.00 72.21 O ATOM 601 OE2 GLU A 42 -13.235 7.467 -0.209 1.00 24.10 O ATOM 0 H GLU A 42 -8.842 11.034 1.621 1.00 65.25 H new ATOM 0 HA GLU A 42 -11.712 11.460 2.211 1.00 44.13 H new ATOM 0 HB2 GLU A 42 -10.144 8.930 1.732 1.00 42.44 H new ATOM 0 HB3 GLU A 42 -11.465 8.906 2.883 1.00 42.44 H new ATOM 0 HG2 GLU A 42 -13.048 9.617 1.173 1.00 22.10 H new ATOM 0 HG3 GLU A 42 -11.755 9.854 0.014 1.00 22.10 H new ATOM 606 N GLY A 43 -9.084 10.818 4.067 1.00 54.32 N ATOM 607 CA GLY A 43 -8.574 10.901 5.423 1.00 52.41 C ATOM 608 C GLY A 43 -8.489 9.544 6.094 1.00 13.44 C ATOM 609 O GLY A 43 -8.566 9.443 7.319 1.00 21.40 O ATOM 0 H GLY A 43 -8.379 10.625 3.356 1.00 54.32 H new ATOM 0 HA2 GLY A 43 -7.585 11.358 5.409 1.00 52.41 H new ATOM 0 HA3 GLY A 43 -9.219 11.554 6.011 1.00 52.41 H new ATOM 613 N ILE A 44 -8.331 8.497 5.290 1.00 31.31 N ATOM 614 CA ILE A 44 -8.236 7.140 5.814 1.00 73.13 C ATOM 615 C ILE A 44 -6.916 6.924 6.546 1.00 21.20 C ATOM 616 O ILE A 44 -5.867 7.434 6.149 1.00 71.23 O ATOM 617 CB ILE A 44 -8.365 6.093 4.692 1.00 22.14 C ATOM 618 CG1 ILE A 44 -9.790 5.537 4.646 1.00 4.32 C ATOM 619 CG2 ILE A 44 -7.359 4.972 4.896 1.00 50.42 C ATOM 620 CD1 ILE A 44 -10.834 6.577 4.303 1.00 61.14 C ATOM 0 H ILE A 44 -8.266 8.563 4.274 1.00 31.31 H new ATOM 0 HA ILE A 44 -9.062 7.014 6.514 1.00 73.13 H new ATOM 0 HB ILE A 44 -8.152 6.575 3.738 1.00 22.14 H new ATOM 0 HG12 ILE A 44 -9.834 4.733 3.911 1.00 4.32 H new ATOM 0 HG13 ILE A 44 -10.031 5.097 5.614 1.00 4.32 H new ATOM 0 HG21 ILE A 44 -7.463 4.240 4.095 1.00 50.42 H new ATOM 0 HG22 ILE A 44 -6.349 5.383 4.884 1.00 50.42 H new ATOM 0 HG23 ILE A 44 -7.543 4.488 5.855 1.00 50.42 H new ATOM 0 HD11 ILE A 44 -11.820 6.112 4.288 1.00 61.14 H new ATOM 0 HD12 ILE A 44 -10.818 7.369 5.051 1.00 61.14 H new ATOM 0 HD13 ILE A 44 -10.618 7.000 3.322 1.00 61.14 H new ATOM 631 N PRO A 45 -6.965 6.150 7.640 1.00 61.12 N ATOM 632 CA PRO A 45 -5.780 5.847 8.449 1.00 14.44 C ATOM 633 C PRO A 45 -4.803 4.929 7.724 1.00 40.53 C ATOM 634 O PRO A 45 -5.098 3.768 7.439 1.00 71.32 O ATOM 635 CB PRO A 45 -6.363 5.144 9.678 1.00 64.52 C ATOM 636 CG PRO A 45 -7.649 4.560 9.208 1.00 14.25 C ATOM 637 CD PRO A 45 -8.180 5.510 8.170 1.00 20.31 C ATOM 0 HA PRO A 45 -5.206 6.743 8.685 1.00 14.44 H new ATOM 0 HB2 PRO A 45 -5.689 4.371 10.048 1.00 64.52 H new ATOM 0 HB3 PRO A 45 -6.523 5.846 10.496 1.00 64.52 H new ATOM 0 HG2 PRO A 45 -7.495 3.567 8.786 1.00 14.25 H new ATOM 0 HG3 PRO A 45 -8.353 4.450 10.033 1.00 14.25 H new ATOM 0 HD2 PRO A 45 -8.731 4.985 7.389 1.00 20.31 H new ATOM 0 HD3 PRO A 45 -8.862 6.241 8.605 1.00 20.31 H new ATOM 642 N PRO A 46 -3.609 5.459 7.416 1.00 33.23 N ATOM 643 CA PRO A 46 -2.563 4.704 6.721 1.00 10.31 C ATOM 644 C PRO A 46 -1.962 3.608 7.594 1.00 65.14 C ATOM 645 O PRO A 46 -1.357 2.661 7.090 1.00 73.35 O ATOM 646 CB PRO A 46 -1.512 5.768 6.398 1.00 22.12 C ATOM 647 CG PRO A 46 -1.716 6.826 7.427 1.00 33.12 C ATOM 648 CD PRO A 46 -3.190 6.836 7.724 1.00 72.20 C ATOM 0 HA PRO A 46 -2.949 4.187 5.842 1.00 10.31 H new ATOM 0 HB2 PRO A 46 -0.504 5.357 6.448 1.00 22.12 H new ATOM 0 HB3 PRO A 46 -1.646 6.164 5.391 1.00 22.12 H new ATOM 0 HG2 PRO A 46 -1.138 6.612 8.326 1.00 33.12 H new ATOM 0 HG3 PRO A 46 -1.385 7.797 7.059 1.00 33.12 H new ATOM 0 HD2 PRO A 46 -3.389 7.093 8.764 1.00 72.20 H new ATOM 0 HD3 PRO A 46 -3.719 7.564 7.109 1.00 72.20 H new ATOM 653 N ASP A 47 -2.130 3.744 8.905 1.00 14.01 N ATOM 654 CA ASP A 47 -1.604 2.764 9.849 1.00 22.32 C ATOM 655 C ASP A 47 -2.237 1.396 9.621 1.00 34.12 C ATOM 656 O ASP A 47 -1.567 0.368 9.717 1.00 4.53 O ATOM 657 CB ASP A 47 -1.856 3.224 11.286 1.00 64.35 C ATOM 658 CG ASP A 47 -0.729 4.084 11.824 1.00 40.02 C ATOM 659 OD1 ASP A 47 0.333 3.523 12.170 1.00 13.32 O ATOM 660 OD2 ASP A 47 -0.908 5.317 11.899 1.00 72.33 O ATOM 0 H ASP A 47 -2.626 4.523 9.338 1.00 14.01 H new ATOM 0 HA ASP A 47 -0.530 2.678 9.686 1.00 22.32 H new ATOM 0 HB2 ASP A 47 -2.789 3.786 11.326 1.00 64.35 H new ATOM 0 HB3 ASP A 47 -1.981 2.351 11.927 1.00 64.35 H new ATOM 664 N GLN A 48 -3.533 1.391 9.321 1.00 70.41 N ATOM 665 CA GLN A 48 -4.256 0.148 9.082 1.00 15.35 C ATOM 666 C GLN A 48 -4.587 -0.013 7.602 1.00 34.14 C ATOM 667 O GLN A 48 -4.937 -1.102 7.149 1.00 74.32 O ATOM 668 CB GLN A 48 -5.541 0.113 9.911 1.00 22.35 C ATOM 669 CG GLN A 48 -5.309 0.308 11.400 1.00 34.54 C ATOM 670 CD GLN A 48 -4.734 -0.925 12.068 1.00 43.33 C ATOM 671 OE1 GLN A 48 -3.582 -1.291 11.834 1.00 21.03 O ATOM 672 NE2 GLN A 48 -5.535 -1.573 12.906 1.00 3.31 N ATOM 0 H GLN A 48 -4.102 2.233 9.238 1.00 70.41 H new ATOM 0 HA GLN A 48 -3.615 -0.680 9.384 1.00 15.35 H new ATOM 0 HB2 GLN A 48 -6.216 0.890 9.552 1.00 22.35 H new ATOM 0 HB3 GLN A 48 -6.041 -0.843 9.752 1.00 22.35 H new ATOM 0 HG2 GLN A 48 -4.631 1.148 11.551 1.00 34.54 H new ATOM 0 HG3 GLN A 48 -6.252 0.570 11.879 1.00 34.54 H new ATOM 0 HE21 GLN A 48 -6.483 -1.234 13.070 1.00 3.31 H new ATOM 0 HE22 GLN A 48 -5.202 -2.410 13.385 1.00 3.31 H new ATOM 679 N GLN A 49 -4.476 1.080 6.854 1.00 24.25 N ATOM 680 CA GLN A 49 -4.765 1.059 5.425 1.00 4.25 C ATOM 681 C GLN A 49 -4.055 -0.105 4.742 1.00 41.41 C ATOM 682 O GLN A 49 -2.866 -0.335 4.963 1.00 42.43 O ATOM 683 CB GLN A 49 -4.342 2.380 4.778 1.00 45.23 C ATOM 684 CG GLN A 49 -4.614 2.441 3.284 1.00 51.41 C ATOM 685 CD GLN A 49 -3.872 3.572 2.600 1.00 53.01 C ATOM 686 OE1 GLN A 49 -4.474 4.403 1.920 1.00 41.14 O ATOM 687 NE2 GLN A 49 -2.556 3.611 2.779 1.00 10.52 N ATOM 0 H GLN A 49 -4.188 1.990 7.213 1.00 24.25 H new ATOM 0 HA GLN A 49 -5.840 0.928 5.300 1.00 4.25 H new ATOM 0 HB2 GLN A 49 -4.868 3.200 5.268 1.00 45.23 H new ATOM 0 HB3 GLN A 49 -3.277 2.535 4.951 1.00 45.23 H new ATOM 0 HG2 GLN A 49 -4.326 1.494 2.827 1.00 51.41 H new ATOM 0 HG3 GLN A 49 -5.685 2.562 3.118 1.00 51.41 H new ATOM 0 HE21 GLN A 49 -2.098 2.901 3.351 1.00 10.52 H new ATOM 0 HE22 GLN A 49 -2.004 4.351 2.345 1.00 10.52 H new ATOM 694 N ARG A 50 -4.791 -0.836 3.913 1.00 2.44 N ATOM 695 CA ARG A 50 -4.232 -1.978 3.199 1.00 53.12 C ATOM 696 C ARG A 50 -3.716 -1.561 1.825 1.00 40.50 C ATOM 697 O ARG A 50 -3.999 -0.460 1.351 1.00 24.40 O ATOM 698 CB ARG A 50 -5.284 -3.078 3.048 1.00 32.24 C ATOM 699 CG ARG A 50 -6.123 -3.294 4.297 1.00 54.10 C ATOM 700 CD ARG A 50 -6.401 -4.770 4.533 1.00 4.30 C ATOM 701 NE ARG A 50 -7.693 -4.988 5.177 1.00 2.42 N ATOM 702 CZ ARG A 50 -8.856 -4.901 4.539 1.00 41.44 C ATOM 703 NH1 ARG A 50 -8.885 -4.603 3.247 1.00 32.55 N ATOM 704 NH2 ARG A 50 -9.990 -5.114 5.194 1.00 2.54 N ATOM 0 H ARG A 50 -5.776 -0.658 3.719 1.00 2.44 H new ATOM 0 HA ARG A 50 -3.395 -2.363 3.781 1.00 53.12 H new ATOM 0 HB2 ARG A 50 -5.943 -2.827 2.217 1.00 32.24 H new ATOM 0 HB3 ARG A 50 -4.786 -4.012 2.789 1.00 32.24 H new ATOM 0 HG2 ARG A 50 -5.605 -2.878 5.161 1.00 54.10 H new ATOM 0 HG3 ARG A 50 -7.066 -2.756 4.201 1.00 54.10 H new ATOM 0 HD2 ARG A 50 -6.377 -5.300 3.581 1.00 4.30 H new ATOM 0 HD3 ARG A 50 -5.611 -5.193 5.153 1.00 4.30 H new ATOM 0 HE ARG A 50 -7.704 -5.220 6.170 1.00 2.42 H new ATOM 0 HH11 ARG A 50 -8.014 -4.440 2.741 1.00 32.55 H new ATOM 0 HH12 ARG A 50 -9.778 -4.537 2.759 1.00 32.55 H new ATOM 0 HH21 ARG A 50 -9.970 -5.345 6.187 1.00 2.54 H new ATOM 0 HH22 ARG A 50 -10.882 -5.047 4.704 1.00 2.54 H new ATOM 715 N LEU A 51 -2.958 -2.448 1.189 1.00 62.34 N ATOM 716 CA LEU A 51 -2.400 -2.172 -0.131 1.00 54.12 C ATOM 717 C LEU A 51 -2.745 -3.288 -1.111 1.00 53.32 C ATOM 718 O LEU A 51 -2.575 -4.469 -0.807 1.00 15.04 O ATOM 719 CB LEU A 51 -0.882 -2.007 -0.041 1.00 11.43 C ATOM 720 CG LEU A 51 -0.378 -0.597 0.267 1.00 2.22 C ATOM 721 CD1 LEU A 51 -1.025 -0.063 1.534 1.00 34.50 C ATOM 722 CD2 LEU A 51 1.139 -0.589 0.396 1.00 14.10 C ATOM 0 H LEU A 51 -2.716 -3.364 1.566 1.00 62.34 H new ATOM 0 HA LEU A 51 -2.838 -1.244 -0.497 1.00 54.12 H new ATOM 0 HB2 LEU A 51 -0.508 -2.681 0.730 1.00 11.43 H new ATOM 0 HB3 LEU A 51 -0.445 -2.329 -0.986 1.00 11.43 H new ATOM 0 HG LEU A 51 -0.656 0.056 -0.560 1.00 2.22 H new ATOM 0 HD11 LEU A 51 -0.654 0.942 1.737 1.00 34.50 H new ATOM 0 HD12 LEU A 51 -2.107 -0.031 1.404 1.00 34.50 H new ATOM 0 HD13 LEU A 51 -0.779 -0.716 2.371 1.00 34.50 H new ATOM 0 HD21 LEU A 51 1.480 0.423 0.615 1.00 14.10 H new ATOM 0 HD22 LEU A 51 1.439 -1.256 1.204 1.00 14.10 H new ATOM 0 HD23 LEU A 51 1.585 -0.928 -0.539 1.00 14.10 H new ATOM 733 N ILE A 52 -3.229 -2.906 -2.288 1.00 43.45 N ATOM 734 CA ILE A 52 -3.593 -3.875 -3.314 1.00 4.24 C ATOM 735 C ILE A 52 -3.014 -3.485 -4.670 1.00 33.12 C ATOM 736 O ILE A 52 -3.319 -2.419 -5.204 1.00 23.51 O ATOM 737 CB ILE A 52 -5.122 -4.011 -3.442 1.00 73.30 C ATOM 738 CG1 ILE A 52 -5.685 -4.809 -2.265 1.00 73.25 C ATOM 739 CG2 ILE A 52 -5.487 -4.675 -4.761 1.00 11.51 C ATOM 740 CD1 ILE A 52 -5.707 -4.034 -0.965 1.00 73.11 C ATOM 0 H ILE A 52 -3.378 -1.933 -2.555 1.00 43.45 H new ATOM 0 HA ILE A 52 -3.175 -4.833 -3.005 1.00 4.24 H new ATOM 0 HB ILE A 52 -5.563 -3.014 -3.425 1.00 73.30 H new ATOM 0 HG12 ILE A 52 -6.699 -5.129 -2.505 1.00 73.25 H new ATOM 0 HG13 ILE A 52 -5.089 -5.712 -2.130 1.00 73.25 H new ATOM 0 HG21 ILE A 52 -6.571 -4.764 -4.836 1.00 11.51 H new ATOM 0 HG22 ILE A 52 -5.114 -4.071 -5.588 1.00 11.51 H new ATOM 0 HG23 ILE A 52 -5.038 -5.667 -4.805 1.00 11.51 H new ATOM 0 HD11 ILE A 52 -6.118 -4.661 -0.174 1.00 73.11 H new ATOM 0 HD12 ILE A 52 -4.692 -3.737 -0.701 1.00 73.11 H new ATOM 0 HD13 ILE A 52 -6.327 -3.145 -1.082 1.00 73.11 H new ATOM 751 N PHE A 53 -2.178 -4.358 -5.223 1.00 30.31 N ATOM 752 CA PHE A 53 -1.556 -4.105 -6.518 1.00 13.11 C ATOM 753 C PHE A 53 -1.818 -5.259 -7.481 1.00 0.35 C ATOM 754 O PHE A 53 -1.395 -6.388 -7.243 1.00 54.42 O ATOM 755 CB PHE A 53 -0.049 -3.897 -6.352 1.00 22.12 C ATOM 756 CG PHE A 53 0.711 -3.964 -7.645 1.00 41.22 C ATOM 757 CD1 PHE A 53 0.226 -3.336 -8.782 1.00 41.54 C ATOM 758 CD2 PHE A 53 1.911 -4.653 -7.725 1.00 33.14 C ATOM 759 CE1 PHE A 53 0.924 -3.397 -9.974 1.00 72.11 C ATOM 760 CE2 PHE A 53 2.613 -4.716 -8.914 1.00 52.14 C ATOM 761 CZ PHE A 53 2.119 -4.087 -10.039 1.00 12.02 C ATOM 0 H PHE A 53 -1.916 -5.246 -4.795 1.00 30.31 H new ATOM 0 HA PHE A 53 -1.997 -3.199 -6.934 1.00 13.11 H new ATOM 0 HB2 PHE A 53 0.127 -2.927 -5.886 1.00 22.12 H new ATOM 0 HB3 PHE A 53 0.341 -4.653 -5.671 1.00 22.12 H new ATOM 0 HD1 PHE A 53 -0.707 -2.794 -8.736 1.00 41.54 H new ATOM 0 HD2 PHE A 53 2.302 -5.147 -6.848 1.00 33.14 H new ATOM 0 HE1 PHE A 53 0.535 -2.906 -10.854 1.00 72.11 H new ATOM 0 HE2 PHE A 53 3.547 -5.257 -8.963 1.00 52.14 H new ATOM 0 HZ PHE A 53 2.666 -4.134 -10.969 1.00 12.02 H new ATOM 770 N ALA A 54 -2.521 -4.964 -8.571 1.00 32.10 N ATOM 771 CA ALA A 54 -2.839 -5.975 -9.571 1.00 33.52 C ATOM 772 C ALA A 54 -3.517 -7.183 -8.934 1.00 74.11 C ATOM 773 O ALA A 54 -3.348 -8.313 -9.390 1.00 60.24 O ATOM 774 CB ALA A 54 -1.580 -6.401 -10.309 1.00 52.40 C ATOM 0 H ALA A 54 -2.880 -4.033 -8.783 1.00 32.10 H new ATOM 0 HA ALA A 54 -3.535 -5.537 -10.287 1.00 33.52 H new ATOM 0 HB1 ALA A 54 -1.832 -7.157 -11.053 1.00 52.40 H new ATOM 0 HB2 ALA A 54 -1.139 -5.536 -10.805 1.00 52.40 H new ATOM 0 HB3 ALA A 54 -0.865 -6.816 -9.599 1.00 52.40 H new ATOM 780 N GLY A 55 -4.285 -6.937 -7.877 1.00 23.23 N ATOM 781 CA GLY A 55 -4.975 -8.015 -7.194 1.00 33.31 C ATOM 782 C GLY A 55 -4.169 -8.584 -6.044 1.00 74.02 C ATOM 783 O GLY A 55 -4.725 -9.168 -5.114 1.00 50.01 O ATOM 0 H GLY A 55 -4.441 -6.010 -7.482 1.00 23.23 H new ATOM 0 HA2 GLY A 55 -5.930 -7.650 -6.818 1.00 33.31 H new ATOM 0 HA3 GLY A 55 -5.196 -8.810 -7.907 1.00 33.31 H new ATOM 787 N LYS A 56 -2.852 -8.415 -6.106 1.00 31.01 N ATOM 788 CA LYS A 56 -1.966 -8.916 -5.062 1.00 4.35 C ATOM 789 C LYS A 56 -1.591 -7.805 -4.088 1.00 72.53 C ATOM 790 O LYS A 56 -1.081 -6.759 -4.491 1.00 53.10 O ATOM 791 CB LYS A 56 -0.701 -9.513 -5.682 1.00 51.32 C ATOM 792 CG LYS A 56 0.171 -10.257 -4.687 1.00 51.05 C ATOM 793 CD LYS A 56 -0.168 -11.738 -4.645 1.00 43.12 C ATOM 794 CE LYS A 56 -1.358 -12.012 -3.737 1.00 65.24 C ATOM 795 NZ LYS A 56 -1.290 -13.370 -3.130 1.00 21.33 N ATOM 0 H LYS A 56 -2.375 -7.935 -6.869 1.00 31.01 H new ATOM 0 HA LYS A 56 -2.496 -9.694 -4.512 1.00 4.35 H new ATOM 0 HB2 LYS A 56 -0.986 -10.195 -6.483 1.00 51.32 H new ATOM 0 HB3 LYS A 56 -0.117 -8.713 -6.137 1.00 51.32 H new ATOM 0 HG2 LYS A 56 1.220 -10.131 -4.956 1.00 51.05 H new ATOM 0 HG3 LYS A 56 0.042 -9.825 -3.695 1.00 51.05 H new ATOM 0 HD2 LYS A 56 -0.389 -12.090 -5.652 1.00 43.12 H new ATOM 0 HD3 LYS A 56 0.697 -12.300 -4.293 1.00 43.12 H new ATOM 0 HE2 LYS A 56 -1.392 -11.262 -2.947 1.00 65.24 H new ATOM 0 HE3 LYS A 56 -2.281 -11.915 -4.309 1.00 65.24 H new ATOM 0 HZ1 LYS A 56 -2.118 -13.519 -2.518 1.00 21.33 H new ATOM 0 HZ2 LYS A 56 -1.283 -14.087 -3.883 1.00 21.33 H new ATOM 0 HZ3 LYS A 56 -0.422 -13.454 -2.564 1.00 21.33 H new ATOM 805 N GLN A 57 -1.846 -8.038 -2.804 1.00 53.22 N ATOM 806 CA GLN A 57 -1.533 -7.056 -1.772 1.00 13.43 C ATOM 807 C GLN A 57 -0.049 -7.081 -1.429 1.00 64.24 C ATOM 808 O GLN A 57 0.623 -8.099 -1.602 1.00 72.23 O ATOM 809 CB GLN A 57 -2.364 -7.323 -0.516 1.00 12.34 C ATOM 810 CG GLN A 57 -2.083 -8.673 0.124 1.00 12.24 C ATOM 811 CD GLN A 57 -2.998 -9.766 -0.394 1.00 41.32 C ATOM 812 OE1 GLN A 57 -4.200 -9.559 -0.559 1.00 12.21 O ATOM 813 NE2 GLN A 57 -2.431 -10.939 -0.654 1.00 32.30 N ATOM 0 H GLN A 57 -2.268 -8.898 -2.454 1.00 53.22 H new ATOM 0 HA GLN A 57 -1.780 -6.068 -2.159 1.00 13.43 H new ATOM 0 HB2 GLN A 57 -2.168 -6.537 0.213 1.00 12.34 H new ATOM 0 HB3 GLN A 57 -3.422 -7.264 -0.771 1.00 12.34 H new ATOM 0 HG2 GLN A 57 -1.046 -8.952 -0.065 1.00 12.24 H new ATOM 0 HG3 GLN A 57 -2.198 -8.590 1.205 1.00 12.24 H new ATOM 0 HE21 GLN A 57 -1.430 -11.067 -0.503 1.00 32.30 H new ATOM 0 HE22 GLN A 57 -2.996 -11.712 -1.005 1.00 32.30 H new ATOM 820 N LEU A 58 0.460 -5.955 -0.942 1.00 44.03 N ATOM 821 CA LEU A 58 1.868 -5.847 -0.573 1.00 24.02 C ATOM 822 C LEU A 58 2.077 -6.214 0.893 1.00 1.45 C ATOM 823 O LEU A 58 1.139 -6.609 1.583 1.00 13.04 O ATOM 824 CB LEU A 58 2.376 -4.427 -0.832 1.00 14.41 C ATOM 825 CG LEU A 58 2.567 -4.040 -2.299 1.00 5.25 C ATOM 826 CD1 LEU A 58 3.434 -5.065 -3.013 1.00 44.30 C ATOM 827 CD2 LEU A 58 1.220 -3.902 -2.995 1.00 53.05 C ATOM 0 H LEU A 58 -0.081 -5.103 -0.793 1.00 44.03 H new ATOM 0 HA LEU A 58 2.434 -6.547 -1.188 1.00 24.02 H new ATOM 0 HB2 LEU A 58 1.676 -3.724 -0.380 1.00 14.41 H new ATOM 0 HB3 LEU A 58 3.329 -4.304 -0.317 1.00 14.41 H new ATOM 0 HG LEU A 58 3.074 -3.076 -2.337 1.00 5.25 H new ATOM 0 HD11 LEU A 58 3.559 -4.773 -4.056 1.00 44.30 H new ATOM 0 HD12 LEU A 58 4.410 -5.115 -2.531 1.00 44.30 H new ATOM 0 HD13 LEU A 58 2.955 -6.043 -2.965 1.00 44.30 H new ATOM 0 HD21 LEU A 58 1.376 -3.626 -4.038 1.00 53.05 H new ATOM 0 HD22 LEU A 58 0.686 -4.851 -2.947 1.00 53.05 H new ATOM 0 HD23 LEU A 58 0.632 -3.130 -2.499 1.00 53.05 H new ATOM 890 N THR A 63 9.707 1.894 -1.506 1.00 11.35 N ATOM 891 CA THR A 63 9.662 2.623 -2.767 1.00 2.54 C ATOM 892 C THR A 63 9.579 1.668 -3.953 1.00 24.10 C ATOM 893 O THR A 63 9.968 0.503 -3.853 1.00 31.55 O ATOM 894 CB THR A 63 10.896 3.528 -2.937 1.00 1.14 C ATOM 895 OG1 THR A 63 12.046 2.735 -3.251 1.00 61.04 O ATOM 896 CG2 THR A 63 11.157 4.331 -1.672 1.00 23.30 C ATOM 0 HA THR A 63 8.766 3.243 -2.741 1.00 2.54 H new ATOM 0 HB THR A 63 10.700 4.222 -3.754 1.00 1.14 H new ATOM 0 HG1 THR A 63 12.826 3.318 -3.359 1.00 61.04 H new ATOM 0 HG21 THR A 63 12.033 4.963 -1.816 1.00 23.30 H new ATOM 0 HG22 THR A 63 10.291 4.956 -1.453 1.00 23.30 H new ATOM 0 HG23 THR A 63 11.333 3.651 -0.839 1.00 23.30 H new ATOM 904 N LEU A 64 9.072 2.167 -5.075 1.00 71.25 N ATOM 905 CA LEU A 64 8.940 1.357 -6.281 1.00 34.52 C ATOM 906 C LEU A 64 10.296 1.145 -6.946 1.00 50.02 C ATOM 907 O LEU A 64 10.505 0.159 -7.653 1.00 12.01 O ATOM 908 CB LEU A 64 7.976 2.024 -7.264 1.00 35.53 C ATOM 909 CG LEU A 64 6.809 2.794 -6.642 1.00 63.41 C ATOM 910 CD1 LEU A 64 5.842 3.257 -7.719 1.00 11.02 C ATOM 911 CD2 LEU A 64 6.092 1.935 -5.611 1.00 42.03 C ATOM 0 H LEU A 64 8.746 3.128 -5.175 1.00 71.25 H new ATOM 0 HA LEU A 64 8.541 0.384 -5.994 1.00 34.52 H new ATOM 0 HB2 LEU A 64 8.545 2.710 -7.891 1.00 35.53 H new ATOM 0 HB3 LEU A 64 7.569 1.255 -7.921 1.00 35.53 H new ATOM 0 HG LEU A 64 7.207 3.674 -6.137 1.00 63.41 H new ATOM 0 HD11 LEU A 64 5.018 3.803 -7.258 1.00 11.02 H new ATOM 0 HD12 LEU A 64 6.363 3.910 -8.420 1.00 11.02 H new ATOM 0 HD13 LEU A 64 5.450 2.391 -8.253 1.00 11.02 H new ATOM 0 HD21 LEU A 64 5.265 2.499 -5.179 1.00 42.03 H new ATOM 0 HD22 LEU A 64 5.706 1.036 -6.091 1.00 42.03 H new ATOM 0 HD23 LEU A 64 6.790 1.654 -4.823 1.00 42.03 H new ATOM 922 N SER A 65 11.216 2.076 -6.713 1.00 11.01 N ATOM 923 CA SER A 65 12.552 1.991 -7.291 1.00 24.44 C ATOM 924 C SER A 65 13.371 0.900 -6.608 1.00 62.41 C ATOM 925 O SER A 65 14.065 0.127 -7.268 1.00 73.54 O ATOM 926 CB SER A 65 13.269 3.337 -7.167 1.00 23.12 C ATOM 927 OG SER A 65 14.595 3.256 -7.661 1.00 42.44 O ATOM 0 H SER A 65 11.061 2.897 -6.128 1.00 11.01 H new ATOM 0 HA SER A 65 12.450 1.737 -8.346 1.00 24.44 H new ATOM 0 HB2 SER A 65 12.718 4.098 -7.719 1.00 23.12 H new ATOM 0 HB3 SER A 65 13.285 3.649 -6.123 1.00 23.12 H new ATOM 0 HG SER A 65 15.031 4.129 -7.572 1.00 42.44 H new ATOM 932 N GLU A 66 13.285 0.847 -5.282 1.00 10.41 N ATOM 933 CA GLU A 66 14.019 -0.148 -4.510 1.00 40.01 C ATOM 934 C GLU A 66 13.373 -1.525 -4.642 1.00 62.41 C ATOM 935 O GLU A 66 14.057 -2.548 -4.614 1.00 2.42 O ATOM 936 CB GLU A 66 14.080 0.260 -3.036 1.00 11.34 C ATOM 937 CG GLU A 66 12.794 -0.019 -2.275 1.00 52.24 C ATOM 938 CD GLU A 66 12.858 0.445 -0.833 1.00 63.15 C ATOM 939 OE1 GLU A 66 13.512 -0.240 -0.019 1.00 72.01 O ATOM 940 OE2 GLU A 66 12.256 1.492 -0.519 1.00 33.24 O ATOM 0 H GLU A 66 12.715 1.481 -4.721 1.00 10.41 H new ATOM 0 HA GLU A 66 15.033 -0.202 -4.907 1.00 40.01 H new ATOM 0 HB2 GLU A 66 14.900 -0.272 -2.554 1.00 11.34 H new ATOM 0 HB3 GLU A 66 14.308 1.324 -2.971 1.00 11.34 H new ATOM 0 HG2 GLU A 66 11.964 0.479 -2.777 1.00 52.24 H new ATOM 0 HG3 GLU A 66 12.586 -1.089 -2.300 1.00 52.24 H new ATOM 945 N TYR A 67 12.053 -1.540 -4.785 1.00 73.44 N ATOM 946 CA TYR A 67 11.313 -2.790 -4.918 1.00 2.30 C ATOM 947 C TYR A 67 11.190 -3.196 -6.384 1.00 61.21 C ATOM 948 O TYR A 67 10.730 -4.293 -6.698 1.00 64.11 O ATOM 949 CB TYR A 67 9.922 -2.653 -4.297 1.00 63.50 C ATOM 950 CG TYR A 67 9.537 -3.817 -3.412 1.00 23.14 C ATOM 951 CD1 TYR A 67 9.892 -5.117 -3.749 1.00 14.20 C ATOM 952 CD2 TYR A 67 8.817 -3.617 -2.241 1.00 14.14 C ATOM 953 CE1 TYR A 67 9.542 -6.184 -2.945 1.00 15.22 C ATOM 954 CE2 TYR A 67 8.463 -4.678 -1.430 1.00 33.32 C ATOM 955 CZ TYR A 67 8.827 -5.960 -1.786 1.00 25.41 C ATOM 956 OH TYR A 67 8.475 -7.019 -0.983 1.00 75.55 O ATOM 0 H TYR A 67 11.473 -0.701 -4.812 1.00 73.44 H new ATOM 0 HA TYR A 67 11.864 -3.567 -4.389 1.00 2.30 H new ATOM 0 HB2 TYR A 67 9.883 -1.734 -3.712 1.00 63.50 H new ATOM 0 HB3 TYR A 67 9.185 -2.554 -5.094 1.00 63.50 H new ATOM 0 HD1 TYR A 67 10.451 -5.296 -4.655 1.00 14.20 H new ATOM 0 HD2 TYR A 67 8.529 -2.615 -1.960 1.00 14.14 H new ATOM 0 HE1 TYR A 67 9.826 -7.188 -3.222 1.00 15.22 H new ATOM 0 HE2 TYR A 67 7.904 -4.505 -0.522 1.00 33.32 H new ATOM 0 HH TYR A 67 7.976 -6.689 -0.207 1.00 75.55 H new ATOM 965 N ASN A 68 11.605 -2.302 -7.276 1.00 75.45 N ATOM 966 CA ASN A 68 11.542 -2.566 -8.709 1.00 74.02 C ATOM 967 C ASN A 68 10.164 -3.090 -9.105 1.00 72.13 C ATOM 968 O ASN A 68 10.038 -3.905 -10.019 1.00 4.20 O ATOM 969 CB ASN A 68 12.618 -3.576 -9.110 1.00 40.32 C ATOM 970 CG ASN A 68 13.068 -3.402 -10.548 1.00 22.31 C ATOM 971 OD1 ASN A 68 12.442 -3.918 -11.473 1.00 75.40 O ATOM 972 ND2 ASN A 68 14.159 -2.669 -10.741 1.00 41.24 N ATOM 0 H ASN A 68 11.988 -1.389 -7.032 1.00 75.45 H new ATOM 0 HA ASN A 68 11.720 -1.628 -9.235 1.00 74.02 H new ATOM 0 HB2 ASN A 68 13.477 -3.469 -8.448 1.00 40.32 H new ATOM 0 HB3 ASN A 68 12.233 -4.586 -8.972 1.00 40.32 H new ATOM 0 HD21 ASN A 68 14.509 -2.515 -11.687 1.00 41.24 H new ATOM 0 HD22 ASN A 68 14.646 -2.260 -9.944 1.00 41.24 H new ATOM 978 N ILE A 69 9.135 -2.616 -8.411 1.00 61.01 N ATOM 979 CA ILE A 69 7.768 -3.034 -8.692 1.00 73.14 C ATOM 980 C ILE A 69 7.051 -2.018 -9.575 1.00 65.25 C ATOM 981 O ILE A 69 7.463 -0.862 -9.664 1.00 2.42 O ATOM 982 CB ILE A 69 6.961 -3.229 -7.394 1.00 61.32 C ATOM 983 CG1 ILE A 69 6.943 -1.934 -6.580 1.00 21.00 C ATOM 984 CG2 ILE A 69 7.545 -4.368 -6.573 1.00 52.33 C ATOM 985 CD1 ILE A 69 6.181 -2.048 -5.278 1.00 41.11 C ATOM 0 H ILE A 69 9.222 -1.942 -7.650 1.00 61.01 H new ATOM 0 HA ILE A 69 7.832 -3.987 -9.218 1.00 73.14 H new ATOM 0 HB ILE A 69 5.935 -3.486 -7.657 1.00 61.32 H new ATOM 0 HG12 ILE A 69 7.969 -1.635 -6.366 1.00 21.00 H new ATOM 0 HG13 ILE A 69 6.499 -1.142 -7.183 1.00 21.00 H new ATOM 0 HG21 ILE A 69 6.964 -4.493 -5.659 1.00 52.33 H new ATOM 0 HG22 ILE A 69 7.511 -5.290 -7.154 1.00 52.33 H new ATOM 0 HG23 ILE A 69 8.579 -4.139 -6.317 1.00 52.33 H new ATOM 0 HD11 ILE A 69 6.210 -1.093 -4.754 1.00 41.11 H new ATOM 0 HD12 ILE A 69 5.145 -2.317 -5.485 1.00 41.11 H new ATOM 0 HD13 ILE A 69 6.638 -2.817 -4.655 1.00 41.11 H new ATOM 996 N GLN A 70 5.978 -2.458 -10.222 1.00 13.32 N ATOM 997 CA GLN A 70 5.204 -1.586 -11.098 1.00 30.02 C ATOM 998 C GLN A 70 3.993 -1.016 -10.366 1.00 0.41 C ATOM 999 O GLN A 70 2.851 -1.355 -10.675 1.00 1.33 O ATOM 1000 CB GLN A 70 4.749 -2.350 -12.343 1.00 60.51 C ATOM 1001 CG GLN A 70 5.862 -3.141 -13.011 1.00 62.43 C ATOM 1002 CD GLN A 70 5.550 -3.480 -14.456 1.00 61.25 C ATOM 1003 OE1 GLN A 70 5.044 -2.646 -15.205 1.00 40.40 O ATOM 1004 NE2 GLN A 70 5.852 -4.710 -14.852 1.00 44.41 N ATOM 0 H GLN A 70 5.624 -3.412 -10.157 1.00 13.32 H new ATOM 0 HA GLN A 70 5.845 -0.759 -11.403 1.00 30.02 H new ATOM 0 HB2 GLN A 70 3.945 -3.032 -12.067 1.00 60.51 H new ATOM 0 HB3 GLN A 70 4.335 -1.643 -13.062 1.00 60.51 H new ATOM 0 HG2 GLN A 70 6.787 -2.567 -12.968 1.00 62.43 H new ATOM 0 HG3 GLN A 70 6.033 -4.062 -12.454 1.00 62.43 H new ATOM 0 HE21 GLN A 70 6.271 -5.369 -14.195 1.00 44.41 H new ATOM 0 HE22 GLN A 70 5.665 -4.997 -15.813 1.00 44.41 H new ATOM 1011 N LYS A 71 4.250 -0.148 -9.394 1.00 75.34 N ATOM 1012 CA LYS A 71 3.182 0.470 -8.617 1.00 63.24 C ATOM 1013 C LYS A 71 2.887 1.878 -9.123 1.00 34.24 C ATOM 1014 O LYS A 71 2.240 2.670 -8.439 1.00 53.21 O ATOM 1015 CB LYS A 71 3.563 0.520 -7.135 1.00 40.33 C ATOM 1016 CG LYS A 71 2.850 -0.519 -6.288 1.00 14.22 C ATOM 1017 CD LYS A 71 3.398 -0.558 -4.872 1.00 23.34 C ATOM 1018 CE LYS A 71 2.496 0.192 -3.904 1.00 41.22 C ATOM 1019 NZ LYS A 71 1.622 -0.734 -3.132 1.00 55.11 N ATOM 0 H LYS A 71 5.190 0.144 -9.125 1.00 75.34 H new ATOM 0 HA LYS A 71 2.284 -0.137 -8.735 1.00 63.24 H new ATOM 0 HB2 LYS A 71 4.639 0.377 -7.040 1.00 40.33 H new ATOM 0 HB3 LYS A 71 3.338 1.512 -6.744 1.00 40.33 H new ATOM 0 HG2 LYS A 71 1.783 -0.297 -6.260 1.00 14.22 H new ATOM 0 HG3 LYS A 71 2.959 -1.501 -6.748 1.00 14.22 H new ATOM 0 HD2 LYS A 71 3.499 -1.594 -4.548 1.00 23.34 H new ATOM 0 HD3 LYS A 71 4.396 -0.120 -4.855 1.00 23.34 H new ATOM 0 HE2 LYS A 71 3.107 0.774 -3.215 1.00 41.22 H new ATOM 0 HE3 LYS A 71 1.878 0.899 -4.457 1.00 41.22 H new ATOM 0 HZ1 LYS A 71 0.858 -0.193 -2.679 1.00 55.11 H new ATOM 0 HZ2 LYS A 71 1.212 -1.441 -3.775 1.00 55.11 H new ATOM 0 HZ3 LYS A 71 2.185 -1.215 -2.402 1.00 55.11 H new ATOM 1029 N GLU A 72 3.362 2.181 -10.327 1.00 12.24 N ATOM 1030 CA GLU A 72 3.147 3.493 -10.925 1.00 34.52 C ATOM 1031 C GLU A 72 2.159 3.408 -12.086 1.00 41.13 C ATOM 1032 O GLU A 72 2.413 3.932 -13.170 1.00 24.43 O ATOM 1033 CB GLU A 72 4.473 4.081 -11.411 1.00 50.21 C ATOM 1034 CG GLU A 72 5.237 3.164 -12.350 1.00 51.30 C ATOM 1035 CD GLU A 72 6.259 3.907 -13.188 1.00 61.14 C ATOM 1036 OE1 GLU A 72 6.913 4.825 -12.649 1.00 22.10 O ATOM 1037 OE2 GLU A 72 6.407 3.570 -14.381 1.00 20.44 O ATOM 0 H GLU A 72 3.898 1.536 -10.907 1.00 12.24 H new ATOM 0 HA GLU A 72 2.727 4.147 -10.161 1.00 34.52 H new ATOM 0 HB2 GLU A 72 4.278 5.026 -11.918 1.00 50.21 H new ATOM 0 HB3 GLU A 72 5.099 4.306 -10.548 1.00 50.21 H new ATOM 0 HG2 GLU A 72 5.742 2.393 -11.768 1.00 51.30 H new ATOM 0 HG3 GLU A 72 4.533 2.656 -13.009 1.00 51.30 H new ATOM 1042 N SER A 73 1.035 2.741 -11.850 1.00 15.14 N ATOM 1043 CA SER A 73 0.011 2.582 -12.877 1.00 72.34 C ATOM 1044 C SER A 73 -1.383 2.579 -12.257 1.00 15.53 C ATOM 1045 O SER A 73 -2.106 3.575 -12.320 1.00 72.45 O ATOM 1046 CB SER A 73 0.238 1.285 -13.656 1.00 74.32 C ATOM 1047 OG SER A 73 -0.966 0.827 -14.245 1.00 11.04 O ATOM 0 H SER A 73 0.809 2.302 -10.957 1.00 15.14 H new ATOM 0 HA SER A 73 0.083 3.427 -13.562 1.00 72.34 H new ATOM 0 HB2 SER A 73 0.986 1.449 -14.431 1.00 74.32 H new ATOM 0 HB3 SER A 73 0.634 0.520 -12.988 1.00 74.32 H new ATOM 0 HG SER A 73 -0.794 -0.002 -14.738 1.00 11.04 H new ATOM 1052 N THR A 74 -1.757 1.452 -11.660 1.00 55.45 N ATOM 1053 CA THR A 74 -3.065 1.317 -11.031 1.00 24.10 C ATOM 1054 C THR A 74 -2.950 0.658 -9.661 1.00 73.24 C ATOM 1055 O THR A 74 -2.676 -0.538 -9.557 1.00 44.44 O ATOM 1056 CB THR A 74 -4.027 0.493 -11.906 1.00 51.23 C ATOM 1057 OG1 THR A 74 -3.561 0.469 -13.259 1.00 50.44 O ATOM 1058 CG2 THR A 74 -5.432 1.073 -11.859 1.00 12.35 C ATOM 0 H THR A 74 -1.172 0.619 -11.599 1.00 55.45 H new ATOM 0 HA THR A 74 -3.465 2.324 -10.914 1.00 24.10 H new ATOM 0 HB THR A 74 -4.057 -0.524 -11.515 1.00 51.23 H new ATOM 0 HG1 THR A 74 -4.178 -0.059 -13.808 1.00 50.44 H new ATOM 0 HG21 THR A 74 -6.094 0.474 -12.485 1.00 12.35 H new ATOM 0 HG22 THR A 74 -5.796 1.062 -10.832 1.00 12.35 H new ATOM 0 HG23 THR A 74 -5.415 2.099 -12.227 1.00 12.35 H new ATOM 1066 N LEU A 75 -3.163 1.444 -8.612 1.00 21.24 N ATOM 1067 CA LEU A 75 -3.085 0.937 -7.247 1.00 75.42 C ATOM 1068 C LEU A 75 -4.303 1.367 -6.435 1.00 24.31 C ATOM 1069 O LEU A 75 -4.777 2.498 -6.558 1.00 54.44 O ATOM 1070 CB LEU A 75 -1.806 1.432 -6.570 1.00 64.22 C ATOM 1071 CG LEU A 75 -0.767 0.362 -6.234 1.00 43.31 C ATOM 1072 CD1 LEU A 75 -1.210 -0.454 -5.030 1.00 21.33 C ATOM 1073 CD2 LEU A 75 -0.526 -0.543 -7.434 1.00 20.51 C ATOM 0 H LEU A 75 -3.391 2.436 -8.681 1.00 21.24 H new ATOM 0 HA LEU A 75 -3.067 -0.152 -7.291 1.00 75.42 H new ATOM 0 HB2 LEU A 75 -1.339 2.173 -7.219 1.00 64.22 H new ATOM 0 HB3 LEU A 75 -2.082 1.944 -5.648 1.00 64.22 H new ATOM 0 HG LEU A 75 0.170 0.859 -5.985 1.00 43.31 H new ATOM 0 HD11 LEU A 75 -0.458 -1.210 -4.806 1.00 21.33 H new ATOM 0 HD12 LEU A 75 -1.331 0.204 -4.169 1.00 21.33 H new ATOM 0 HD13 LEU A 75 -2.160 -0.941 -5.250 1.00 21.33 H new ATOM 0 HD21 LEU A 75 0.216 -1.299 -7.177 1.00 20.51 H new ATOM 0 HD22 LEU A 75 -1.459 -1.032 -7.714 1.00 20.51 H new ATOM 0 HD23 LEU A 75 -0.162 0.052 -8.272 1.00 20.51 H new ATOM 1084 N HIS A 76 -4.803 0.460 -5.602 1.00 51.21 N ATOM 1085 CA HIS A 76 -5.964 0.747 -4.767 1.00 1.42 C ATOM 1086 C HIS A 76 -5.694 0.371 -3.313 1.00 53.32 C ATOM 1087 O HIS A 76 -5.645 -0.810 -2.965 1.00 23.42 O ATOM 1088 CB HIS A 76 -7.189 -0.010 -5.282 1.00 42.53 C ATOM 1089 CG HIS A 76 -7.137 -0.304 -6.750 1.00 52.01 C ATOM 1090 ND1 HIS A 76 -7.003 -1.580 -7.258 1.00 75.33 N ATOM 1091 CD2 HIS A 76 -7.204 0.520 -7.821 1.00 13.33 C ATOM 1092 CE1 HIS A 76 -6.988 -1.527 -8.577 1.00 11.03 C ATOM 1093 NE2 HIS A 76 -7.109 -0.263 -8.945 1.00 41.23 N ATOM 0 H HIS A 76 -4.423 -0.479 -5.487 1.00 51.21 H new ATOM 0 HA HIS A 76 -6.160 1.818 -4.817 1.00 1.42 H new ATOM 0 HB2 HIS A 76 -7.283 -0.948 -4.735 1.00 42.53 H new ATOM 0 HB3 HIS A 76 -8.084 0.575 -5.068 1.00 42.53 H new ATOM 0 HD1 HIS A 76 -6.927 -2.431 -6.701 1.00 75.33 H new ATOM 0 HD2 HIS A 76 -7.312 1.594 -7.796 1.00 13.33 H new ATOM 0 HE1 HIS A 76 -6.893 -2.372 -9.242 1.00 11.03 H new ATOM 1100 N LEU A 77 -5.519 1.381 -2.470 1.00 75.24 N ATOM 1101 CA LEU A 77 -5.253 1.157 -1.052 1.00 3.31 C ATOM 1102 C LEU A 77 -6.191 1.988 -0.184 1.00 21.33 C ATOM 1103 O LEU A 77 -5.946 3.170 0.059 1.00 4.34 O ATOM 1104 CB LEU A 77 -3.798 1.502 -0.726 1.00 54.41 C ATOM 1105 CG LEU A 77 -3.220 2.721 -1.443 1.00 31.45 C ATOM 1106 CD1 LEU A 77 -2.162 3.395 -0.582 1.00 33.11 C ATOM 1107 CD2 LEU A 77 -2.638 2.322 -2.790 1.00 4.24 C ATOM 0 H LEU A 77 -5.556 2.363 -2.742 1.00 75.24 H new ATOM 0 HA LEU A 77 -5.428 0.103 -0.837 1.00 3.31 H new ATOM 0 HB2 LEU A 77 -3.717 1.665 0.349 1.00 54.41 H new ATOM 0 HB3 LEU A 77 -3.178 0.638 -0.965 1.00 54.41 H new ATOM 0 HG LEU A 77 -4.027 3.433 -1.615 1.00 31.45 H new ATOM 0 HD11 LEU A 77 -1.762 4.261 -1.109 1.00 33.11 H new ATOM 0 HD12 LEU A 77 -2.609 3.717 0.358 1.00 33.11 H new ATOM 0 HD13 LEU A 77 -1.356 2.690 -0.378 1.00 33.11 H new ATOM 0 HD21 LEU A 77 -2.231 3.203 -3.286 1.00 4.24 H new ATOM 0 HD22 LEU A 77 -1.844 1.590 -2.641 1.00 4.24 H new ATOM 0 HD23 LEU A 77 -3.421 1.886 -3.410 1.00 4.24 H new ATOM 1118 N VAL A 78 -7.266 1.362 0.285 1.00 12.42 N ATOM 1119 CA VAL A 78 -8.241 2.042 1.129 1.00 63.23 C ATOM 1120 C VAL A 78 -8.868 1.079 2.130 1.00 60.33 C ATOM 1121 O VAL A 78 -9.348 0.007 1.760 1.00 44.54 O ATOM 1122 CB VAL A 78 -9.356 2.691 0.289 1.00 4.11 C ATOM 1123 CG1 VAL A 78 -10.221 3.594 1.155 1.00 73.20 C ATOM 1124 CG2 VAL A 78 -8.761 3.469 -0.876 1.00 12.21 C ATOM 0 H VAL A 78 -7.484 0.384 0.094 1.00 12.42 H new ATOM 0 HA VAL A 78 -7.703 2.822 1.668 1.00 63.23 H new ATOM 0 HB VAL A 78 -9.988 1.901 -0.115 1.00 4.11 H new ATOM 0 HG11 VAL A 78 -11.003 4.044 0.544 1.00 73.20 H new ATOM 0 HG12 VAL A 78 -10.676 3.006 1.952 1.00 73.20 H new ATOM 0 HG13 VAL A 78 -9.604 4.380 1.591 1.00 73.20 H new ATOM 0 HG21 VAL A 78 -9.563 3.921 -1.459 1.00 12.21 H new ATOM 0 HG22 VAL A 78 -8.105 4.251 -0.494 1.00 12.21 H new ATOM 0 HG23 VAL A 78 -8.188 2.793 -1.510 1.00 12.21 H new ATOM 1134 N LEU A 79 -8.864 1.468 3.400 1.00 43.25 N ATOM 1135 CA LEU A 79 -9.434 0.639 4.456 1.00 43.14 C ATOM 1136 C LEU A 79 -10.652 1.312 5.079 1.00 31.12 C ATOM 1137 O LEU A 79 -10.532 2.335 5.754 1.00 63.02 O ATOM 1138 CB LEU A 79 -8.384 0.360 5.534 1.00 53.24 C ATOM 1139 CG LEU A 79 -8.809 -0.592 6.654 1.00 2.42 C ATOM 1140 CD1 LEU A 79 -9.112 -1.974 6.095 1.00 21.15 C ATOM 1141 CD2 LEU A 79 -7.731 -0.672 7.724 1.00 40.05 C ATOM 0 H LEU A 79 -8.472 2.352 3.724 1.00 43.25 H new ATOM 0 HA LEU A 79 -9.751 -0.305 4.012 1.00 43.14 H new ATOM 0 HB2 LEU A 79 -7.497 -0.051 5.052 1.00 53.24 H new ATOM 0 HB3 LEU A 79 -8.092 1.309 5.983 1.00 53.24 H new ATOM 0 HG LEU A 79 -9.718 -0.201 7.111 1.00 2.42 H new ATOM 0 HD11 LEU A 79 -9.412 -2.637 6.906 1.00 21.15 H new ATOM 0 HD12 LEU A 79 -9.920 -1.903 5.367 1.00 21.15 H new ATOM 0 HD13 LEU A 79 -8.221 -2.374 5.611 1.00 21.15 H new ATOM 0 HD21 LEU A 79 -8.051 -1.354 8.512 1.00 40.05 H new ATOM 0 HD22 LEU A 79 -6.805 -1.039 7.281 1.00 40.05 H new ATOM 0 HD23 LEU A 79 -7.564 0.319 8.147 1.00 40.05 H new ATOM 1152 N ARG A 80 -11.824 0.731 4.850 1.00 54.33 N ATOM 1153 CA ARG A 80 -13.065 1.274 5.389 1.00 54.32 C ATOM 1154 C ARG A 80 -13.188 2.762 5.078 1.00 14.14 C ATOM 1155 O ARG A 80 -13.053 3.607 5.964 1.00 71.25 O ATOM 1156 CB ARG A 80 -13.129 1.052 6.902 1.00 12.44 C ATOM 1157 CG ARG A 80 -14.448 1.480 7.526 1.00 4.25 C ATOM 1158 CD ARG A 80 -15.193 0.295 8.121 1.00 23.34 C ATOM 1159 NE ARG A 80 -16.520 0.670 8.603 1.00 62.23 N ATOM 1160 CZ ARG A 80 -16.732 1.311 9.748 1.00 2.51 C ATOM 1161 NH1 ARG A 80 -15.710 1.646 10.523 1.00 2.01 N ATOM 1162 NH2 ARG A 80 -17.968 1.617 10.119 1.00 40.22 N ATOM 0 H ARG A 80 -11.941 -0.116 4.294 1.00 54.33 H new ATOM 0 HA ARG A 80 -13.896 0.751 4.916 1.00 54.32 H new ATOM 0 HB2 ARG A 80 -12.963 -0.004 7.113 1.00 12.44 H new ATOM 0 HB3 ARG A 80 -12.317 1.603 7.376 1.00 12.44 H new ATOM 0 HG2 ARG A 80 -14.261 2.221 8.303 1.00 4.25 H new ATOM 0 HG3 ARG A 80 -15.070 1.960 6.771 1.00 4.25 H new ATOM 0 HD2 ARG A 80 -15.288 -0.488 7.369 1.00 23.34 H new ATOM 0 HD3 ARG A 80 -14.613 -0.122 8.944 1.00 23.34 H new ATOM 0 HE ARG A 80 -17.328 0.427 8.030 1.00 62.23 H new ATOM 0 HH11 ARG A 80 -14.758 1.412 10.241 1.00 2.01 H new ATOM 0 HH12 ARG A 80 -15.876 2.138 11.401 1.00 2.01 H new ATOM 0 HH21 ARG A 80 -18.757 1.360 9.526 1.00 40.22 H new ATOM 0 HH22 ARG A 80 -18.130 2.109 10.998 1.00 40.22 H new ATOM 1173 N LEU A 81 -13.445 3.077 3.812 1.00 72.24 N ATOM 1174 CA LEU A 81 -13.585 4.464 3.384 1.00 12.55 C ATOM 1175 C LEU A 81 -14.590 5.207 4.259 1.00 52.33 C ATOM 1176 O LEU A 81 -15.261 4.605 5.097 1.00 73.40 O ATOM 1177 CB LEU A 81 -14.027 4.523 1.920 1.00 54.21 C ATOM 1178 CG LEU A 81 -15.149 3.565 1.518 1.00 41.55 C ATOM 1179 CD1 LEU A 81 -14.583 2.197 1.169 1.00 22.23 C ATOM 1180 CD2 LEU A 81 -16.176 3.448 2.634 1.00 31.35 C ATOM 0 H LEU A 81 -13.560 2.391 3.066 1.00 72.24 H new ATOM 0 HA LEU A 81 -12.614 4.949 3.486 1.00 12.55 H new ATOM 0 HB2 LEU A 81 -14.349 5.541 1.699 1.00 54.21 H new ATOM 0 HB3 LEU A 81 -13.160 4.320 1.291 1.00 54.21 H new ATOM 0 HG LEU A 81 -15.645 3.968 0.635 1.00 41.55 H new ATOM 0 HD11 LEU A 81 -15.396 1.528 0.885 1.00 22.23 H new ATOM 0 HD12 LEU A 81 -13.885 2.293 0.337 1.00 22.23 H new ATOM 0 HD13 LEU A 81 -14.062 1.787 2.034 1.00 22.23 H new ATOM 0 HD21 LEU A 81 -16.967 2.762 2.330 1.00 31.35 H new ATOM 0 HD22 LEU A 81 -15.693 3.069 3.535 1.00 31.35 H new ATOM 0 HD23 LEU A 81 -16.605 4.429 2.838 1.00 31.35 H new