USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 713 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 34 GLN : amide:sc= -2.75 K(o=-3.4,f=-7.5!) USER MOD Set 1.2: A 82 THR OG1 : rot 180:sc= -0.642 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0958 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -8:sc= 0.028 USER MOD Single : A 23 THR OG1 : rot -88:sc= 1.3 USER MOD Single : A 24 MET CE :methyl -129:sc= -1.9 (180deg=-5.32!) USER MOD Single : A 27 HIS : no HD1:sc= -0.0232 X(o=-0.023,f=-0.0047) USER MOD Single : A 32 LYS NZ :NH3+ -155:sc= -0.091 (180deg=-0.654) USER MOD Single : A 36 THR OG1 : rot -81:sc= 0.946 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0647 USER MOD Single : A 48 SER OG : rot -40:sc= -0.501 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -2.51! C(o=-2.5!,f=-2.6!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS :FLIP no HD1:sc=-0.00258 F(o=-1.2,f=-0.0026) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.080 1.701 -9.058 1.00 62.15 N ATOM 2 CA GLY A 1 -4.859 2.485 -9.062 1.00 64.25 C ATOM 3 C GLY A 1 -3.656 1.683 -9.520 1.00 34.22 C ATOM 4 O GLY A 1 -3.747 0.470 -9.710 1.00 5.40 O ATOM 0 H1 GLY A 1 -6.767 2.126 -9.713 1.00 62.15 H new ATOM 0 H2 GLY A 1 -5.869 0.728 -9.360 1.00 62.15 H new ATOM 0 H3 GLY A 1 -6.480 1.686 -8.098 1.00 62.15 H new ATOM 0 HA2 GLY A 1 -4.987 3.348 -9.716 1.00 64.25 H new ATOM 0 HA3 GLY A 1 -4.675 2.870 -8.059 1.00 64.25 H new ATOM 8 N ALA A 2 -2.528 2.361 -9.699 1.00 3.34 N ATOM 9 CA ALA A 2 -1.302 1.704 -10.136 1.00 55.23 C ATOM 10 C ALA A 2 -0.256 1.699 -9.027 1.00 61.22 C ATOM 11 O ALA A 2 0.204 0.640 -8.600 1.00 41.24 O ATOM 12 CB ALA A 2 -0.753 2.387 -11.380 1.00 62.20 C ATOM 0 H ALA A 2 -2.437 3.366 -9.548 1.00 3.34 H new ATOM 0 HA ALA A 2 -1.540 0.668 -10.378 1.00 55.23 H new ATOM 0 HB1 ALA A 2 0.162 1.887 -11.696 1.00 62.20 H new ATOM 0 HB2 ALA A 2 -1.491 2.333 -12.180 1.00 62.20 H new ATOM 0 HB3 ALA A 2 -0.537 3.432 -11.156 1.00 62.20 H new ATOM 18 N MET A 3 0.116 2.888 -8.565 1.00 42.14 N ATOM 19 CA MET A 3 1.109 3.019 -7.505 1.00 52.31 C ATOM 20 C MET A 3 1.095 4.428 -6.919 1.00 63.41 C ATOM 21 O MET A 3 1.977 5.237 -7.204 1.00 64.13 O ATOM 22 CB MET A 3 2.504 2.690 -8.040 1.00 11.04 C ATOM 23 CG MET A 3 2.825 3.370 -9.361 1.00 34.12 C ATOM 24 SD MET A 3 4.500 3.026 -9.930 1.00 64.43 S ATOM 25 CE MET A 3 4.171 2.308 -11.538 1.00 31.01 C ATOM 0 H MET A 3 -0.255 3.774 -8.908 1.00 42.14 H new ATOM 0 HA MET A 3 0.856 2.313 -6.714 1.00 52.31 H new ATOM 0 HB2 MET A 3 3.247 2.985 -7.299 1.00 11.04 H new ATOM 0 HB3 MET A 3 2.591 1.611 -8.166 1.00 11.04 H new ATOM 0 HG2 MET A 3 2.113 3.039 -10.118 1.00 34.12 H new ATOM 0 HG3 MET A 3 2.697 4.447 -9.251 1.00 34.12 H new ATOM 0 HE1 MET A 3 5.113 2.042 -12.017 1.00 31.01 H new ATOM 0 HE2 MET A 3 3.559 1.414 -11.419 1.00 31.01 H new ATOM 0 HE3 MET A 3 3.640 3.031 -12.158 1.00 31.01 H new ATOM 35 N ALA A 4 0.089 4.713 -6.099 1.00 40.13 N ATOM 36 CA ALA A 4 -0.038 6.023 -5.472 1.00 64.23 C ATOM 37 C ALA A 4 -0.076 7.131 -6.519 1.00 53.10 C ATOM 38 O ALA A 4 -0.193 6.864 -7.715 1.00 42.22 O ATOM 39 CB ALA A 4 1.108 6.254 -4.498 1.00 12.42 C ATOM 0 H ALA A 4 -0.650 4.054 -5.853 1.00 40.13 H new ATOM 0 HA ALA A 4 -0.979 6.046 -4.922 1.00 64.23 H new ATOM 0 HB1 ALA A 4 1.001 7.236 -4.037 1.00 12.42 H new ATOM 0 HB2 ALA A 4 1.089 5.486 -3.725 1.00 12.42 H new ATOM 0 HB3 ALA A 4 2.056 6.206 -5.034 1.00 12.42 H new ATOM 45 N ARG A 5 0.021 8.375 -6.061 1.00 64.11 N ATOM 46 CA ARG A 5 -0.005 9.524 -6.958 1.00 65.44 C ATOM 47 C ARG A 5 1.407 9.902 -7.398 1.00 72.35 C ATOM 48 O ARG A 5 1.643 10.206 -8.567 1.00 75.13 O ATOM 49 CB ARG A 5 -0.674 10.717 -6.274 1.00 42.13 C ATOM 50 CG ARG A 5 -1.958 10.359 -5.544 1.00 41.02 C ATOM 51 CD ARG A 5 -2.956 9.683 -6.471 1.00 61.21 C ATOM 52 NE ARG A 5 -4.334 10.035 -6.142 1.00 54.11 N ATOM 53 CZ ARG A 5 -5.385 9.626 -6.844 1.00 32.40 C ATOM 54 NH1 ARG A 5 -5.216 8.853 -7.908 1.00 45.21 N ATOM 55 NH2 ARG A 5 -6.609 9.988 -6.481 1.00 40.55 N ATOM 0 H ARG A 5 0.118 8.613 -5.074 1.00 64.11 H new ATOM 0 HA ARG A 5 -0.582 9.251 -7.842 1.00 65.44 H new ATOM 0 HB2 ARG A 5 0.026 11.158 -5.565 1.00 42.13 H new ATOM 0 HB3 ARG A 5 -0.892 11.479 -7.022 1.00 42.13 H new ATOM 0 HG2 ARG A 5 -1.730 9.697 -4.708 1.00 41.02 H new ATOM 0 HG3 ARG A 5 -2.403 11.261 -5.124 1.00 41.02 H new ATOM 0 HD2 ARG A 5 -2.745 9.969 -7.501 1.00 61.21 H new ATOM 0 HD3 ARG A 5 -2.833 8.602 -6.409 1.00 61.21 H new ATOM 0 HE ARG A 5 -4.499 10.628 -5.328 1.00 54.11 H new ATOM 0 HH11 ARG A 5 -4.277 8.571 -8.189 1.00 45.21 H new ATOM 0 HH12 ARG A 5 -6.025 8.541 -8.445 1.00 45.21 H new ATOM 0 HH21 ARG A 5 -6.744 10.581 -5.662 1.00 40.55 H new ATOM 0 HH22 ARG A 5 -7.415 9.673 -7.021 1.00 40.55 H new ATOM 69 N ALA A 6 2.341 9.881 -6.454 1.00 22.43 N ATOM 70 CA ALA A 6 3.729 10.220 -6.744 1.00 72.50 C ATOM 71 C ALA A 6 3.827 11.560 -7.464 1.00 5.33 C ATOM 72 O ALA A 6 4.570 11.700 -8.435 1.00 21.02 O ATOM 73 CB ALA A 6 4.377 9.123 -7.576 1.00 20.21 C ATOM 0 H ALA A 6 2.162 9.633 -5.481 1.00 22.43 H new ATOM 0 HA ALA A 6 4.262 10.306 -5.797 1.00 72.50 H new ATOM 0 HB1 ALA A 6 5.413 9.389 -7.785 1.00 20.21 H new ATOM 0 HB2 ALA A 6 4.348 8.183 -7.025 1.00 20.21 H new ATOM 0 HB3 ALA A 6 3.835 9.010 -8.515 1.00 20.21 H new ATOM 79 N GLU A 7 3.073 12.543 -6.981 1.00 22.20 N ATOM 80 CA GLU A 7 3.076 13.872 -7.581 1.00 33.03 C ATOM 81 C GLU A 7 4.477 14.476 -7.558 1.00 13.51 C ATOM 82 O GLU A 7 4.860 15.214 -8.466 1.00 30.45 O ATOM 83 CB GLU A 7 2.100 14.791 -6.842 1.00 71.34 C ATOM 84 CG GLU A 7 2.622 15.282 -5.503 1.00 12.14 C ATOM 85 CD GLU A 7 2.880 14.151 -4.527 1.00 24.42 C ATOM 86 OE1 GLU A 7 2.082 13.190 -4.508 1.00 11.44 O ATOM 87 OE2 GLU A 7 3.880 14.225 -3.783 1.00 3.14 O ATOM 0 H GLU A 7 2.453 12.444 -6.177 1.00 22.20 H new ATOM 0 HA GLU A 7 2.758 13.775 -8.619 1.00 33.03 H new ATOM 0 HB2 GLU A 7 1.876 15.651 -7.473 1.00 71.34 H new ATOM 0 HB3 GLU A 7 1.162 14.259 -6.684 1.00 71.34 H new ATOM 0 HG2 GLU A 7 3.546 15.839 -5.660 1.00 12.14 H new ATOM 0 HG3 GLU A 7 1.901 15.975 -5.068 1.00 12.14 H new ATOM 94 N GLU A 8 5.235 14.159 -6.513 1.00 61.34 N ATOM 95 CA GLU A 8 6.593 14.672 -6.372 1.00 33.33 C ATOM 96 C GLU A 8 7.558 13.914 -7.279 1.00 20.02 C ATOM 97 O GLU A 8 8.626 14.418 -7.626 1.00 45.23 O ATOM 98 CB GLU A 8 7.053 14.565 -4.916 1.00 71.34 C ATOM 99 CG GLU A 8 7.275 13.135 -4.452 1.00 12.23 C ATOM 100 CD GLU A 8 7.508 13.037 -2.957 1.00 12.25 C ATOM 101 OE1 GLU A 8 7.854 14.067 -2.341 1.00 34.13 O ATOM 102 OE2 GLU A 8 7.344 11.930 -2.402 1.00 73.05 O ATOM 0 H GLU A 8 4.932 13.550 -5.753 1.00 61.34 H new ATOM 0 HA GLU A 8 6.591 15.721 -6.669 1.00 33.33 H new ATOM 0 HB2 GLU A 8 7.980 15.126 -4.794 1.00 71.34 H new ATOM 0 HB3 GLU A 8 6.309 15.035 -4.273 1.00 71.34 H new ATOM 0 HG2 GLU A 8 6.409 12.531 -4.721 1.00 12.23 H new ATOM 0 HG3 GLU A 8 8.132 12.715 -4.978 1.00 12.23 H new ATOM 109 N HIS A 9 7.174 12.699 -7.658 1.00 41.35 N ATOM 110 CA HIS A 9 8.005 11.871 -8.525 1.00 72.03 C ATOM 111 C HIS A 9 7.834 12.273 -9.987 1.00 71.32 C ATOM 112 O HIS A 9 8.444 11.682 -10.878 1.00 62.55 O ATOM 113 CB HIS A 9 7.652 10.394 -8.345 1.00 43.15 C ATOM 114 CG HIS A 9 8.849 9.497 -8.276 1.00 64.33 C ATOM 115 ND1 HIS A 9 9.243 8.855 -7.121 1.00 61.11 N ATOM 116 CD2 HIS A 9 9.740 9.134 -9.229 1.00 21.13 C ATOM 117 CE1 HIS A 9 10.325 8.138 -7.365 1.00 62.34 C ATOM 118 NE2 HIS A 9 10.647 8.289 -8.637 1.00 42.34 N ATOM 0 H HIS A 9 6.294 12.266 -7.379 1.00 41.35 H new ATOM 0 HA HIS A 9 9.047 12.025 -8.244 1.00 72.03 H new ATOM 0 HB2 HIS A 9 7.067 10.277 -7.432 1.00 43.15 H new ATOM 0 HB3 HIS A 9 7.018 10.077 -9.173 1.00 43.15 H new ATOM 0 HD2 HIS A 9 9.738 9.450 -10.262 1.00 21.13 H new ATOM 0 HE1 HIS A 9 10.856 7.531 -6.647 1.00 62.34 H new ATOM 0 HE2 HIS A 9 11.440 7.850 -9.104 1.00 42.34 H new ATOM 126 N ILE A 10 7.000 13.280 -10.225 1.00 64.45 N ATOM 127 CA ILE A 10 6.750 13.760 -11.579 1.00 21.52 C ATOM 128 C ILE A 10 7.795 14.788 -12.000 1.00 31.44 C ATOM 129 O ILE A 10 8.505 14.598 -12.987 1.00 61.13 O ATOM 130 CB ILE A 10 5.349 14.387 -11.704 1.00 3.25 C ATOM 131 CG1 ILE A 10 4.277 13.385 -11.271 1.00 61.25 C ATOM 132 CG2 ILE A 10 5.103 14.853 -13.131 1.00 34.32 C ATOM 133 CD1 ILE A 10 2.866 13.915 -11.402 1.00 5.20 C ATOM 0 H ILE A 10 6.486 13.779 -9.499 1.00 64.45 H new ATOM 0 HA ILE A 10 6.811 12.893 -12.237 1.00 21.52 H new ATOM 0 HB ILE A 10 5.295 15.254 -11.046 1.00 3.25 H new ATOM 0 HG12 ILE A 10 4.374 12.480 -11.871 1.00 61.25 H new ATOM 0 HG13 ILE A 10 4.455 13.101 -10.234 1.00 61.25 H new ATOM 0 HG21 ILE A 10 4.109 15.294 -13.204 1.00 34.32 H new ATOM 0 HG22 ILE A 10 5.851 15.597 -13.405 1.00 34.32 H new ATOM 0 HG23 ILE A 10 5.173 14.002 -13.809 1.00 34.32 H new ATOM 0 HD11 ILE A 10 2.159 13.152 -11.078 1.00 5.20 H new ATOM 0 HD12 ILE A 10 2.752 14.803 -10.780 1.00 5.20 H new ATOM 0 HD13 ILE A 10 2.669 14.173 -12.443 1.00 5.20 H new ATOM 145 N TYR A 11 7.884 15.876 -11.243 1.00 23.52 N ATOM 146 CA TYR A 11 8.842 16.935 -11.537 1.00 62.31 C ATOM 147 C TYR A 11 9.819 17.123 -10.380 1.00 71.33 C ATOM 148 O TYR A 11 9.417 17.429 -9.258 1.00 3.23 O ATOM 149 CB TYR A 11 8.111 18.248 -11.821 1.00 0.05 C ATOM 150 CG TYR A 11 7.412 18.275 -13.161 1.00 64.01 C ATOM 151 CD1 TYR A 11 8.128 18.465 -14.336 1.00 45.24 C ATOM 152 CD2 TYR A 11 6.036 18.109 -13.252 1.00 52.24 C ATOM 153 CE1 TYR A 11 7.494 18.491 -15.563 1.00 40.32 C ATOM 154 CE2 TYR A 11 5.393 18.132 -14.475 1.00 40.41 C ATOM 155 CZ TYR A 11 6.126 18.324 -15.627 1.00 44.34 C ATOM 156 OH TYR A 11 5.491 18.348 -16.848 1.00 12.23 O ATOM 0 H TYR A 11 7.304 16.048 -10.421 1.00 23.52 H new ATOM 0 HA TYR A 11 9.408 16.643 -12.422 1.00 62.31 H new ATOM 0 HB2 TYR A 11 7.377 18.423 -11.034 1.00 0.05 H new ATOM 0 HB3 TYR A 11 8.827 19.069 -11.777 1.00 0.05 H new ATOM 0 HD1 TYR A 11 9.199 18.595 -14.289 1.00 45.24 H new ATOM 0 HD2 TYR A 11 5.459 17.959 -12.352 1.00 52.24 H new ATOM 0 HE1 TYR A 11 8.066 18.641 -16.467 1.00 40.32 H new ATOM 0 HE2 TYR A 11 4.322 18.000 -14.528 1.00 40.41 H new ATOM 0 HH TYR A 11 4.529 18.214 -16.719 1.00 12.23 H new ATOM 166 N ARG A 12 11.104 16.937 -10.664 1.00 1.34 N ATOM 167 CA ARG A 12 12.139 17.086 -9.648 1.00 24.40 C ATOM 168 C ARG A 12 12.289 18.547 -9.234 1.00 24.52 C ATOM 169 O ARG A 12 12.456 18.852 -8.054 1.00 5.43 O ATOM 170 CB ARG A 12 13.475 16.552 -10.169 1.00 42.53 C ATOM 171 CG ARG A 12 13.934 17.215 -11.458 1.00 72.54 C ATOM 172 CD ARG A 12 14.595 16.214 -12.394 1.00 11.33 C ATOM 173 NE ARG A 12 15.858 16.716 -12.928 1.00 1.43 N ATOM 174 CZ ARG A 12 15.939 17.648 -13.871 1.00 53.01 C ATOM 175 NH1 ARG A 12 14.835 18.176 -14.382 1.00 1.54 N ATOM 176 NH2 ARG A 12 17.125 18.053 -14.305 1.00 42.34 N ATOM 0 H ARG A 12 11.453 16.683 -11.588 1.00 1.34 H new ATOM 0 HA ARG A 12 11.840 16.508 -8.773 1.00 24.40 H new ATOM 0 HB2 ARG A 12 14.238 16.697 -9.404 1.00 42.53 H new ATOM 0 HB3 ARG A 12 13.388 15.478 -10.333 1.00 42.53 H new ATOM 0 HG2 ARG A 12 13.080 17.673 -11.957 1.00 72.54 H new ATOM 0 HG3 ARG A 12 14.635 18.017 -11.227 1.00 72.54 H new ATOM 0 HD2 ARG A 12 14.773 15.281 -11.860 1.00 11.33 H new ATOM 0 HD3 ARG A 12 13.918 15.986 -13.217 1.00 11.33 H new ATOM 0 HE ARG A 12 16.726 16.330 -12.556 1.00 1.43 H new ATOM 0 HH11 ARG A 12 13.921 17.867 -14.051 1.00 1.54 H new ATOM 0 HH12 ARG A 12 14.900 18.892 -15.106 1.00 1.54 H new ATOM 0 HH21 ARG A 12 17.976 17.649 -13.915 1.00 42.34 H new ATOM 0 HH22 ARG A 12 17.186 18.769 -15.029 1.00 42.34 H new ATOM 190 N GLU A 13 12.229 19.443 -10.213 1.00 50.33 N ATOM 191 CA GLU A 13 12.360 20.871 -9.950 1.00 14.54 C ATOM 192 C GLU A 13 11.276 21.348 -8.987 1.00 0.33 C ATOM 193 O GLU A 13 11.529 22.179 -8.114 1.00 12.04 O ATOM 194 CB GLU A 13 12.280 21.663 -11.256 1.00 42.35 C ATOM 195 CG GLU A 13 13.603 21.744 -12.000 1.00 54.05 C ATOM 196 CD GLU A 13 13.435 22.185 -13.442 1.00 2.35 C ATOM 197 OE1 GLU A 13 12.417 22.839 -13.748 1.00 15.01 O ATOM 198 OE2 GLU A 13 14.324 21.877 -14.263 1.00 21.32 O ATOM 0 H GLU A 13 12.091 19.206 -11.195 1.00 50.33 H new ATOM 0 HA GLU A 13 13.333 21.041 -9.489 1.00 14.54 H new ATOM 0 HB2 GLU A 13 11.535 21.203 -11.905 1.00 42.35 H new ATOM 0 HB3 GLU A 13 11.933 22.673 -11.038 1.00 42.35 H new ATOM 0 HG2 GLU A 13 14.263 22.442 -11.485 1.00 54.05 H new ATOM 0 HG3 GLU A 13 14.089 20.769 -11.976 1.00 54.05 H new ATOM 205 N ILE A 14 10.070 20.817 -9.153 1.00 55.11 N ATOM 206 CA ILE A 14 8.948 21.188 -8.299 1.00 71.51 C ATOM 207 C ILE A 14 9.250 20.890 -6.834 1.00 63.35 C ATOM 208 O ILE A 14 8.647 21.474 -5.935 1.00 21.54 O ATOM 209 CB ILE A 14 7.661 20.446 -8.707 1.00 10.30 C ATOM 210 CG1 ILE A 14 7.260 20.823 -10.135 1.00 11.44 C ATOM 211 CG2 ILE A 14 6.536 20.764 -7.733 1.00 72.34 C ATOM 212 CD1 ILE A 14 6.886 22.281 -10.292 1.00 64.22 C ATOM 0 H ILE A 14 9.844 20.128 -9.871 1.00 55.11 H new ATOM 0 HA ILE A 14 8.796 22.260 -8.426 1.00 71.51 H new ATOM 0 HB ILE A 14 7.851 19.373 -8.675 1.00 10.30 H new ATOM 0 HG12 ILE A 14 8.086 20.593 -10.808 1.00 11.44 H new ATOM 0 HG13 ILE A 14 6.417 20.205 -10.442 1.00 11.44 H new ATOM 0 HG21 ILE A 14 5.633 20.233 -8.034 1.00 72.34 H new ATOM 0 HG22 ILE A 14 6.824 20.450 -6.730 1.00 72.34 H new ATOM 0 HG23 ILE A 14 6.344 21.837 -7.737 1.00 72.34 H new ATOM 0 HD11 ILE A 14 6.613 22.477 -11.329 1.00 64.22 H new ATOM 0 HD12 ILE A 14 6.040 22.511 -9.644 1.00 64.22 H new ATOM 0 HD13 ILE A 14 7.735 22.906 -10.016 1.00 64.22 H new ATOM 224 N MET A 15 10.190 19.978 -6.603 1.00 53.44 N ATOM 225 CA MET A 15 10.575 19.605 -5.247 1.00 54.22 C ATOM 226 C MET A 15 10.938 20.839 -4.427 1.00 25.55 C ATOM 227 O MET A 15 10.845 20.828 -3.200 1.00 31.23 O ATOM 228 CB MET A 15 11.755 18.633 -5.279 1.00 22.34 C ATOM 229 CG MET A 15 11.420 17.290 -5.908 1.00 42.44 C ATOM 230 SD MET A 15 12.881 16.272 -6.191 1.00 50.04 S ATOM 231 CE MET A 15 12.284 14.669 -5.661 1.00 20.21 C ATOM 0 H MET A 15 10.698 19.485 -7.337 1.00 53.44 H new ATOM 0 HA MET A 15 9.723 19.115 -4.775 1.00 54.22 H new ATOM 0 HB2 MET A 15 12.576 19.089 -5.832 1.00 22.34 H new ATOM 0 HB3 MET A 15 12.108 18.470 -4.261 1.00 22.34 H new ATOM 0 HG2 MET A 15 10.727 16.753 -5.260 1.00 42.44 H new ATOM 0 HG3 MET A 15 10.908 17.455 -6.856 1.00 42.44 H new ATOM 0 HE1 MET A 15 13.076 13.929 -5.776 1.00 20.21 H new ATOM 0 HE2 MET A 15 11.985 14.720 -4.614 1.00 20.21 H new ATOM 0 HE3 MET A 15 11.427 14.380 -6.270 1.00 20.21 H new ATOM 241 N GLU A 16 11.354 21.899 -5.112 1.00 54.03 N ATOM 242 CA GLU A 16 11.732 23.139 -4.445 1.00 43.00 C ATOM 243 C GLU A 16 10.608 23.636 -3.541 1.00 55.04 C ATOM 244 O GLU A 16 10.816 23.892 -2.355 1.00 21.34 O ATOM 245 CB GLU A 16 12.084 24.213 -5.477 1.00 25.41 C ATOM 246 CG GLU A 16 13.442 24.009 -6.128 1.00 3.23 C ATOM 247 CD GLU A 16 14.554 23.826 -5.113 1.00 30.42 C ATOM 248 OE1 GLU A 16 14.994 24.837 -4.526 1.00 72.33 O ATOM 249 OE2 GLU A 16 14.984 22.672 -4.905 1.00 62.14 O ATOM 0 H GLU A 16 11.438 21.924 -6.128 1.00 54.03 H new ATOM 0 HA GLU A 16 12.608 22.937 -3.828 1.00 43.00 H new ATOM 0 HB2 GLU A 16 11.317 24.226 -6.252 1.00 25.41 H new ATOM 0 HB3 GLU A 16 12.065 25.190 -4.994 1.00 25.41 H new ATOM 0 HG2 GLU A 16 13.401 23.135 -6.778 1.00 3.23 H new ATOM 0 HG3 GLU A 16 13.670 24.867 -6.761 1.00 3.23 H new ATOM 256 N LEU A 17 9.415 23.771 -4.111 1.00 42.21 N ATOM 257 CA LEU A 17 8.256 24.238 -3.358 1.00 41.24 C ATOM 258 C LEU A 17 7.600 23.089 -2.600 1.00 72.45 C ATOM 259 O LEU A 17 7.287 23.212 -1.416 1.00 35.22 O ATOM 260 CB LEU A 17 7.241 24.889 -4.299 1.00 52.32 C ATOM 261 CG LEU A 17 6.381 26.000 -3.694 1.00 44.15 C ATOM 262 CD1 LEU A 17 6.936 27.366 -4.067 1.00 13.41 C ATOM 263 CD2 LEU A 17 4.936 25.866 -4.152 1.00 65.25 C ATOM 0 H LEU A 17 9.225 23.564 -5.092 1.00 42.21 H new ATOM 0 HA LEU A 17 8.598 24.978 -2.634 1.00 41.24 H new ATOM 0 HB2 LEU A 17 7.779 25.298 -5.154 1.00 52.32 H new ATOM 0 HB3 LEU A 17 6.579 24.112 -4.681 1.00 52.32 H new ATOM 0 HG LEU A 17 6.407 25.903 -2.609 1.00 44.15 H new ATOM 0 HD11 LEU A 17 6.312 28.144 -3.628 1.00 13.41 H new ATOM 0 HD12 LEU A 17 7.954 27.461 -3.689 1.00 13.41 H new ATOM 0 HD13 LEU A 17 6.941 27.473 -5.152 1.00 13.41 H new ATOM 0 HD21 LEU A 17 4.339 26.665 -3.712 1.00 65.25 H new ATOM 0 HD22 LEU A 17 4.891 25.936 -5.239 1.00 65.25 H new ATOM 0 HD23 LEU A 17 4.542 24.901 -3.834 1.00 65.25 H new ATOM 275 N CYS A 18 7.397 21.972 -3.290 1.00 73.24 N ATOM 276 CA CYS A 18 6.779 20.799 -2.682 1.00 31.11 C ATOM 277 C CYS A 18 7.430 20.475 -1.341 1.00 51.41 C ATOM 278 O CYS A 18 6.761 20.040 -0.403 1.00 64.24 O ATOM 279 CB CYS A 18 6.888 19.595 -3.619 1.00 40.31 C ATOM 280 SG CYS A 18 6.306 18.043 -2.898 1.00 23.24 S ATOM 0 H CYS A 18 7.651 21.854 -4.271 1.00 73.24 H new ATOM 0 HA CYS A 18 5.726 21.022 -2.510 1.00 31.11 H new ATOM 0 HB2 CYS A 18 6.316 19.800 -4.524 1.00 40.31 H new ATOM 0 HB3 CYS A 18 7.929 19.476 -3.920 1.00 40.31 H new ATOM 0 HG CYS A 18 6.056 18.218 -1.634 1.00 23.24 H new ATOM 286 N PHE A 19 8.739 20.690 -1.258 1.00 32.13 N ATOM 287 CA PHE A 19 9.481 20.419 -0.032 1.00 64.33 C ATOM 288 C PHE A 19 8.901 21.203 1.141 1.00 54.35 C ATOM 289 O PHE A 19 8.780 20.684 2.250 1.00 12.23 O ATOM 290 CB PHE A 19 10.958 20.774 -0.217 1.00 22.23 C ATOM 291 CG PHE A 19 11.803 20.468 0.987 1.00 0.31 C ATOM 292 CD1 PHE A 19 11.850 21.346 2.058 1.00 50.52 C ATOM 293 CD2 PHE A 19 12.550 19.303 1.048 1.00 34.22 C ATOM 294 CE1 PHE A 19 12.627 21.068 3.166 1.00 2.02 C ATOM 295 CE2 PHE A 19 13.328 19.019 2.154 1.00 24.33 C ATOM 296 CZ PHE A 19 13.366 19.902 3.215 1.00 3.21 C ATOM 0 H PHE A 19 9.307 21.051 -2.024 1.00 32.13 H new ATOM 0 HA PHE A 19 9.394 19.355 0.188 1.00 64.33 H new ATOM 0 HB2 PHE A 19 11.350 20.228 -1.075 1.00 22.23 H new ATOM 0 HB3 PHE A 19 11.042 21.836 -0.450 1.00 22.23 H new ATOM 0 HD1 PHE A 19 11.273 22.258 2.026 1.00 50.52 H new ATOM 0 HD2 PHE A 19 12.524 18.609 0.221 1.00 34.22 H new ATOM 0 HE1 PHE A 19 12.657 21.762 3.993 1.00 2.02 H new ATOM 0 HE2 PHE A 19 13.906 18.107 2.189 1.00 24.33 H new ATOM 0 HZ PHE A 19 13.972 19.681 4.081 1.00 3.21 H new ATOM 306 N VAL A 20 8.543 22.458 0.886 1.00 10.12 N ATOM 307 CA VAL A 20 7.974 23.315 1.920 1.00 44.35 C ATOM 308 C VAL A 20 6.514 22.964 2.183 1.00 44.21 C ATOM 309 O VAL A 20 6.028 23.090 3.307 1.00 25.14 O ATOM 310 CB VAL A 20 8.071 24.803 1.531 1.00 63.41 C ATOM 311 CG1 VAL A 20 7.365 25.671 2.561 1.00 73.22 C ATOM 312 CG2 VAL A 20 9.526 25.219 1.378 1.00 3.24 C ATOM 0 H VAL A 20 8.637 22.903 -0.027 1.00 10.12 H new ATOM 0 HA VAL A 20 8.554 23.145 2.827 1.00 44.35 H new ATOM 0 HB VAL A 20 7.574 24.943 0.571 1.00 63.41 H new ATOM 0 HG11 VAL A 20 7.444 26.718 2.270 1.00 73.22 H new ATOM 0 HG12 VAL A 20 6.314 25.388 2.616 1.00 73.22 H new ATOM 0 HG13 VAL A 20 7.831 25.530 3.536 1.00 73.22 H new ATOM 0 HG21 VAL A 20 9.576 26.273 1.103 1.00 3.24 H new ATOM 0 HG22 VAL A 20 10.050 25.065 2.321 1.00 3.24 H new ATOM 0 HG23 VAL A 20 9.996 24.618 0.600 1.00 3.24 H new ATOM 322 N ILE A 21 5.820 22.523 1.139 1.00 2.23 N ATOM 323 CA ILE A 21 4.416 22.152 1.258 1.00 13.25 C ATOM 324 C ILE A 21 4.255 20.851 2.038 1.00 51.41 C ATOM 325 O ILE A 21 3.299 20.684 2.796 1.00 61.05 O ATOM 326 CB ILE A 21 3.756 21.994 -0.124 1.00 70.12 C ATOM 327 CG1 ILE A 21 4.031 23.226 -0.989 1.00 21.22 C ATOM 328 CG2 ILE A 21 2.259 21.769 0.026 1.00 52.10 C ATOM 329 CD1 ILE A 21 3.695 24.532 -0.304 1.00 5.02 C ATOM 0 H ILE A 21 6.207 22.414 0.202 1.00 2.23 H new ATOM 0 HA ILE A 21 3.921 22.960 1.797 1.00 13.25 H new ATOM 0 HB ILE A 21 4.187 21.123 -0.618 1.00 70.12 H new ATOM 0 HG12 ILE A 21 5.084 23.234 -1.272 1.00 21.22 H new ATOM 0 HG13 ILE A 21 3.454 23.149 -1.910 1.00 21.22 H new ATOM 0 HG21 ILE A 21 1.807 21.659 -0.960 1.00 52.10 H new ATOM 0 HG22 ILE A 21 2.084 20.865 0.608 1.00 52.10 H new ATOM 0 HG23 ILE A 21 1.812 22.622 0.537 1.00 52.10 H new ATOM 0 HD11 ILE A 21 3.915 25.362 -0.975 1.00 5.02 H new ATOM 0 HD12 ILE A 21 2.636 24.545 -0.045 1.00 5.02 H new ATOM 0 HD13 ILE A 21 4.291 24.631 0.603 1.00 5.02 H new ATOM 341 N ARG A 22 5.197 19.934 1.848 1.00 64.11 N ATOM 342 CA ARG A 22 5.161 18.648 2.534 1.00 72.23 C ATOM 343 C ARG A 22 5.336 18.829 4.039 1.00 70.04 C ATOM 344 O ARG A 22 4.988 17.949 4.826 1.00 35.32 O ATOM 345 CB ARG A 22 6.253 17.725 1.990 1.00 73.41 C ATOM 346 CG ARG A 22 7.632 18.009 2.562 1.00 12.40 C ATOM 347 CD ARG A 22 8.072 16.917 3.524 1.00 1.33 C ATOM 348 NE ARG A 22 9.526 16.844 3.641 1.00 0.31 N ATOM 349 CZ ARG A 22 10.159 15.952 4.395 1.00 72.14 C ATOM 350 NH1 ARG A 22 9.469 15.061 5.094 1.00 50.41 N ATOM 351 NH2 ARG A 22 11.485 15.949 4.449 1.00 34.13 N ATOM 0 H ARG A 22 5.995 20.057 1.225 1.00 64.11 H new ATOM 0 HA ARG A 22 4.187 18.194 2.351 1.00 72.23 H new ATOM 0 HB2 ARG A 22 5.985 16.691 2.208 1.00 73.41 H new ATOM 0 HB3 ARG A 22 6.292 17.823 0.905 1.00 73.41 H new ATOM 0 HG2 ARG A 22 8.354 18.092 1.750 1.00 12.40 H new ATOM 0 HG3 ARG A 22 7.622 18.969 3.079 1.00 12.40 H new ATOM 0 HD2 ARG A 22 7.638 17.103 4.506 1.00 1.33 H new ATOM 0 HD3 ARG A 22 7.687 15.956 3.182 1.00 1.33 H new ATOM 0 HE ARG A 22 10.086 17.515 3.115 1.00 0.31 H new ATOM 0 HH11 ARG A 22 8.450 15.059 5.053 1.00 50.41 H new ATOM 0 HH12 ARG A 22 9.957 14.377 5.672 1.00 50.41 H new ATOM 0 HH21 ARG A 22 12.019 16.632 3.911 1.00 34.13 H new ATOM 0 HH22 ARG A 22 11.970 15.264 5.028 1.00 34.13 H new ATOM 365 N THR A 23 5.879 19.977 4.432 1.00 22.12 N ATOM 366 CA THR A 23 6.102 20.273 5.842 1.00 44.34 C ATOM 367 C THR A 23 4.812 20.718 6.521 1.00 43.21 C ATOM 368 O THR A 23 4.660 20.581 7.734 1.00 13.03 O ATOM 369 CB THR A 23 7.169 21.369 6.023 1.00 42.50 C ATOM 370 OG1 THR A 23 6.594 22.658 5.778 1.00 64.22 O ATOM 371 CG2 THR A 23 8.342 21.144 5.081 1.00 42.21 C ATOM 0 H THR A 23 6.172 20.717 3.794 1.00 22.12 H new ATOM 0 HA THR A 23 6.455 19.352 6.307 1.00 44.34 H new ATOM 0 HB THR A 23 7.534 21.323 7.049 1.00 42.50 H new ATOM 0 HG1 THR A 23 6.655 22.867 4.822 1.00 64.22 H new ATOM 0 HG21 THR A 23 9.082 21.931 5.227 1.00 42.21 H new ATOM 0 HG22 THR A 23 8.796 20.175 5.290 1.00 42.21 H new ATOM 0 HG23 THR A 23 7.990 21.165 4.050 1.00 42.21 H new ATOM 379 N MET A 24 3.886 21.251 5.731 1.00 42.04 N ATOM 380 CA MET A 24 2.608 21.714 6.257 1.00 55.41 C ATOM 381 C MET A 24 1.565 20.602 6.210 1.00 70.12 C ATOM 382 O MET A 24 0.956 20.266 7.225 1.00 55.41 O ATOM 383 CB MET A 24 2.114 22.926 5.464 1.00 71.25 C ATOM 384 CG MET A 24 2.991 24.156 5.625 1.00 45.42 C ATOM 385 SD MET A 24 2.898 24.864 7.281 1.00 62.23 S ATOM 386 CE MET A 24 1.146 25.217 7.400 1.00 63.31 C ATOM 0 H MET A 24 3.997 21.373 4.724 1.00 42.04 H new ATOM 0 HA MET A 24 2.756 22.005 7.297 1.00 55.41 H new ATOM 0 HB2 MET A 24 2.063 22.662 4.408 1.00 71.25 H new ATOM 0 HB3 MET A 24 1.100 23.169 5.782 1.00 71.25 H new ATOM 0 HG2 MET A 24 4.025 23.891 5.405 1.00 45.42 H new ATOM 0 HG3 MET A 24 2.692 24.908 4.895 1.00 45.42 H new ATOM 0 HE1 MET A 24 1.004 26.250 7.716 1.00 63.31 H new ATOM 0 HE2 MET A 24 0.678 25.068 6.427 1.00 63.31 H new ATOM 0 HE3 MET A 24 0.689 24.548 8.129 1.00 63.31 H new ATOM 396 N ALA A 25 1.365 20.034 5.025 1.00 41.11 N ATOM 397 CA ALA A 25 0.398 18.959 4.847 1.00 74.53 C ATOM 398 C ALA A 25 0.940 17.638 5.383 1.00 72.01 C ATOM 399 O ALA A 25 2.142 17.379 5.321 1.00 33.21 O ATOM 400 CB ALA A 25 0.026 18.821 3.378 1.00 52.13 C ATOM 0 H ALA A 25 1.860 20.301 4.174 1.00 41.11 H new ATOM 0 HA ALA A 25 -0.497 19.212 5.415 1.00 74.53 H new ATOM 0 HB1 ALA A 25 -0.697 18.014 3.260 1.00 52.13 H new ATOM 0 HB2 ALA A 25 -0.411 19.755 3.024 1.00 52.13 H new ATOM 0 HB3 ALA A 25 0.920 18.595 2.796 1.00 52.13 H new ATOM 406 N ARG A 26 0.046 16.807 5.909 1.00 23.05 N ATOM 407 CA ARG A 26 0.436 15.514 6.458 1.00 21.24 C ATOM 408 C ARG A 26 -0.224 14.375 5.687 1.00 22.51 C ATOM 409 O ARG A 26 0.418 13.705 4.877 1.00 44.40 O ATOM 410 CB ARG A 26 0.057 15.429 7.938 1.00 22.21 C ATOM 411 CG ARG A 26 1.085 16.055 8.867 1.00 72.32 C ATOM 412 CD ARG A 26 0.482 17.189 9.681 1.00 42.24 C ATOM 413 NE ARG A 26 1.234 17.443 10.907 1.00 62.24 N ATOM 414 CZ ARG A 26 2.399 18.081 10.936 1.00 71.04 C ATOM 415 NH1 ARG A 26 2.942 18.528 9.812 1.00 53.23 N ATOM 416 NH2 ARG A 26 3.023 18.273 12.091 1.00 52.42 N ATOM 0 H ARG A 26 -0.953 17.006 5.967 1.00 23.05 H new ATOM 0 HA ARG A 26 1.517 15.417 6.361 1.00 21.24 H new ATOM 0 HB2 ARG A 26 -0.903 15.922 8.087 1.00 22.21 H new ATOM 0 HB3 ARG A 26 -0.077 14.382 8.211 1.00 22.21 H new ATOM 0 HG2 ARG A 26 1.481 15.294 9.539 1.00 72.32 H new ATOM 0 HG3 ARG A 26 1.924 16.432 8.282 1.00 72.32 H new ATOM 0 HD2 ARG A 26 0.457 18.096 9.077 1.00 42.24 H new ATOM 0 HD3 ARG A 26 -0.550 16.945 9.933 1.00 42.24 H new ATOM 0 HE ARG A 26 0.843 17.112 11.789 1.00 62.24 H new ATOM 0 HH11 ARG A 26 2.465 18.382 8.922 1.00 53.23 H new ATOM 0 HH12 ARG A 26 3.837 19.018 9.837 1.00 53.23 H new ATOM 0 HH21 ARG A 26 2.608 17.931 12.958 1.00 52.42 H new ATOM 0 HH22 ARG A 26 3.917 18.763 12.112 1.00 52.42 H new ATOM 430 N HIS A 27 -1.510 14.159 5.945 1.00 50.22 N ATOM 431 CA HIS A 27 -2.257 13.101 5.275 1.00 73.22 C ATOM 432 C HIS A 27 -2.207 13.275 3.760 1.00 43.51 C ATOM 433 O HIS A 27 -2.353 12.311 3.009 1.00 31.11 O ATOM 434 CB HIS A 27 -3.710 13.093 5.751 1.00 52.42 C ATOM 435 CG HIS A 27 -4.375 11.758 5.624 1.00 73.52 C ATOM 436 ND1 HIS A 27 -5.572 11.572 4.964 1.00 1.21 N ATOM 437 CD2 HIS A 27 -4.003 10.537 6.075 1.00 33.13 C ATOM 438 CE1 HIS A 27 -5.908 10.296 5.017 1.00 71.32 C ATOM 439 NE2 HIS A 27 -4.973 9.646 5.685 1.00 24.33 N ATOM 0 H HIS A 27 -2.056 14.703 6.613 1.00 50.22 H new ATOM 0 HA HIS A 27 -1.794 12.147 5.529 1.00 73.22 H new ATOM 0 HB2 HIS A 27 -3.744 13.409 6.794 1.00 52.42 H new ATOM 0 HB3 HIS A 27 -4.276 13.827 5.177 1.00 52.42 H new ATOM 0 HD2 HIS A 27 -3.110 10.306 6.637 1.00 33.13 H new ATOM 0 HE1 HIS A 27 -6.797 9.858 4.587 1.00 71.32 H new ATOM 0 HE2 HIS A 27 -4.971 8.645 5.880 1.00 24.33 H new ATOM 447 N ARG A 28 -2.000 14.512 3.318 1.00 24.32 N ATOM 448 CA ARG A 28 -1.932 14.813 1.893 1.00 20.43 C ATOM 449 C ARG A 28 -0.741 14.113 1.246 1.00 62.53 C ATOM 450 O ARG A 28 -0.749 13.834 0.047 1.00 44.04 O ATOM 451 CB ARG A 28 -1.831 16.323 1.674 1.00 43.15 C ATOM 452 CG ARG A 28 -2.799 17.129 2.524 1.00 74.42 C ATOM 453 CD ARG A 28 -3.256 18.389 1.806 1.00 44.12 C ATOM 454 NE ARG A 28 -4.686 18.630 1.978 1.00 23.10 N ATOM 455 CZ ARG A 28 -5.217 19.144 3.082 1.00 43.34 C ATOM 456 NH1 ARG A 28 -4.440 19.471 4.105 1.00 23.42 N ATOM 457 NH2 ARG A 28 -6.527 19.334 3.163 1.00 75.23 N ATOM 0 H ARG A 28 -1.877 15.321 3.926 1.00 24.32 H new ATOM 0 HA ARG A 28 -2.845 14.445 1.425 1.00 20.43 H new ATOM 0 HB2 ARG A 28 -0.813 16.646 1.893 1.00 43.15 H new ATOM 0 HB3 ARG A 28 -2.015 16.542 0.622 1.00 43.15 H new ATOM 0 HG2 ARG A 28 -3.665 16.515 2.771 1.00 74.42 H new ATOM 0 HG3 ARG A 28 -2.320 17.399 3.465 1.00 74.42 H new ATOM 0 HD2 ARG A 28 -2.696 19.245 2.184 1.00 44.12 H new ATOM 0 HD3 ARG A 28 -3.028 18.303 0.744 1.00 44.12 H new ATOM 0 HE ARG A 28 -5.311 18.391 1.208 1.00 23.10 H new ATOM 0 HH11 ARG A 28 -3.432 19.328 4.046 1.00 23.42 H new ATOM 0 HH12 ARG A 28 -4.850 19.865 4.951 1.00 23.42 H new ATOM 0 HH21 ARG A 28 -7.128 19.085 2.377 1.00 75.23 H new ATOM 0 HH22 ARG A 28 -6.934 19.729 4.011 1.00 75.23 H new ATOM 471 N ARG A 29 0.281 13.832 2.047 1.00 24.23 N ATOM 472 CA ARG A 29 1.480 13.166 1.552 1.00 2.22 C ATOM 473 C ARG A 29 1.119 11.904 0.775 1.00 64.32 C ATOM 474 O ARG A 29 1.851 11.484 -0.122 1.00 4.22 O ATOM 475 CB ARG A 29 2.411 12.814 2.714 1.00 33.03 C ATOM 476 CG ARG A 29 3.707 12.152 2.277 1.00 4.42 C ATOM 477 CD ARG A 29 3.802 10.722 2.785 1.00 12.11 C ATOM 478 NE ARG A 29 5.156 10.188 2.667 1.00 72.40 N ATOM 479 CZ ARG A 29 5.494 8.957 3.034 1.00 65.43 C ATOM 480 NH1 ARG A 29 4.583 8.137 3.539 1.00 53.32 N ATOM 481 NH2 ARG A 29 6.748 8.543 2.895 1.00 34.20 N ATOM 0 H ARG A 29 0.303 14.055 3.042 1.00 24.23 H new ATOM 0 HA ARG A 29 1.994 13.852 0.879 1.00 2.22 H new ATOM 0 HB2 ARG A 29 2.646 13.723 3.268 1.00 33.03 H new ATOM 0 HB3 ARG A 29 1.887 12.149 3.400 1.00 33.03 H new ATOM 0 HG2 ARG A 29 3.771 12.157 1.189 1.00 4.42 H new ATOM 0 HG3 ARG A 29 4.554 12.728 2.649 1.00 4.42 H new ATOM 0 HD2 ARG A 29 3.488 10.686 3.828 1.00 12.11 H new ATOM 0 HD3 ARG A 29 3.113 10.091 2.223 1.00 12.11 H new ATOM 0 HE ARG A 29 5.881 10.793 2.282 1.00 72.40 H new ATOM 0 HH11 ARG A 29 3.618 8.451 3.647 1.00 53.32 H new ATOM 0 HH12 ARG A 29 4.847 7.192 3.820 1.00 53.32 H new ATOM 0 HH21 ARG A 29 7.452 9.170 2.506 1.00 34.20 H new ATOM 0 HH22 ARG A 29 7.007 7.598 3.177 1.00 34.20 H new ATOM 495 N ASP A 30 -0.012 11.303 1.125 1.00 34.22 N ATOM 496 CA ASP A 30 -0.471 10.089 0.460 1.00 20.44 C ATOM 497 C ASP A 30 -0.704 10.338 -1.026 1.00 53.04 C ATOM 498 O ASP A 30 -0.517 9.446 -1.853 1.00 3.22 O ATOM 499 CB ASP A 30 -1.757 9.579 1.113 1.00 52.23 C ATOM 500 CG ASP A 30 -1.529 9.071 2.523 1.00 72.44 C ATOM 501 OD1 ASP A 30 -1.024 9.848 3.360 1.00 61.13 O ATOM 502 OD2 ASP A 30 -1.857 7.896 2.789 1.00 23.42 O ATOM 0 H ASP A 30 -0.629 11.637 1.866 1.00 34.22 H new ATOM 0 HA ASP A 30 0.305 9.331 0.565 1.00 20.44 H new ATOM 0 HB2 ASP A 30 -2.493 10.382 1.134 1.00 52.23 H new ATOM 0 HB3 ASP A 30 -2.177 8.778 0.505 1.00 52.23 H new ATOM 507 N GLY A 31 -1.116 11.558 -1.359 1.00 60.34 N ATOM 508 CA GLY A 31 -1.369 11.902 -2.746 1.00 55.31 C ATOM 509 C GLY A 31 -0.970 13.328 -3.072 1.00 32.23 C ATOM 510 O GLY A 31 0.171 13.729 -2.841 1.00 54.41 O ATOM 0 H GLY A 31 -1.279 12.313 -0.693 1.00 60.34 H new ATOM 0 HA2 GLY A 31 -0.820 11.218 -3.393 1.00 55.31 H new ATOM 0 HA3 GLY A 31 -2.428 11.766 -2.964 1.00 55.31 H new ATOM 514 N LYS A 32 -1.911 14.096 -3.611 1.00 60.41 N ATOM 515 CA LYS A 32 -1.653 15.485 -3.970 1.00 64.00 C ATOM 516 C LYS A 32 -1.677 16.380 -2.735 1.00 31.41 C ATOM 517 O LYS A 32 -2.574 16.273 -1.898 1.00 24.35 O ATOM 518 CB LYS A 32 -2.688 15.972 -4.986 1.00 73.21 C ATOM 519 CG LYS A 32 -3.084 14.917 -6.005 1.00 21.45 C ATOM 520 CD LYS A 32 -1.866 14.319 -6.690 1.00 34.13 C ATOM 521 CE LYS A 32 -1.060 15.382 -7.420 1.00 71.32 C ATOM 522 NZ LYS A 32 -1.930 16.276 -8.234 1.00 65.20 N ATOM 0 H LYS A 32 -2.860 13.779 -3.809 1.00 60.41 H new ATOM 0 HA LYS A 32 -0.661 15.540 -4.417 1.00 64.00 H new ATOM 0 HB2 LYS A 32 -3.579 16.303 -4.453 1.00 73.21 H new ATOM 0 HB3 LYS A 32 -2.289 16.840 -5.511 1.00 73.21 H new ATOM 0 HG2 LYS A 32 -3.649 14.127 -5.511 1.00 21.45 H new ATOM 0 HG3 LYS A 32 -3.742 15.360 -6.752 1.00 21.45 H new ATOM 0 HD2 LYS A 32 -1.235 13.827 -5.949 1.00 34.13 H new ATOM 0 HD3 LYS A 32 -2.184 13.553 -7.397 1.00 34.13 H new ATOM 0 HE2 LYS A 32 -0.504 15.977 -6.696 1.00 71.32 H new ATOM 0 HE3 LYS A 32 -0.327 14.901 -8.067 1.00 71.32 H new ATOM 0 HZ1 LYS A 32 -1.375 16.685 -9.013 1.00 65.20 H new ATOM 0 HZ2 LYS A 32 -2.723 15.728 -8.624 1.00 65.20 H new ATOM 0 HZ3 LYS A 32 -2.300 17.040 -7.634 1.00 65.20 H new ATOM 536 N ILE A 33 -0.689 17.261 -2.629 1.00 2.40 N ATOM 537 CA ILE A 33 -0.600 18.176 -1.497 1.00 64.24 C ATOM 538 C ILE A 33 -1.297 19.497 -1.802 1.00 43.42 C ATOM 539 O ILE A 33 -1.303 19.958 -2.944 1.00 21.54 O ATOM 540 CB ILE A 33 0.866 18.457 -1.115 1.00 55.42 C ATOM 541 CG1 ILE A 33 1.726 17.215 -1.355 1.00 72.02 C ATOM 542 CG2 ILE A 33 0.958 18.900 0.337 1.00 3.13 C ATOM 543 CD1 ILE A 33 3.169 17.390 -0.939 1.00 4.01 C ATOM 0 H ILE A 33 0.061 17.361 -3.313 1.00 2.40 H new ATOM 0 HA ILE A 33 -1.099 17.691 -0.658 1.00 64.24 H new ATOM 0 HB ILE A 33 1.243 19.263 -1.745 1.00 55.42 H new ATOM 0 HG12 ILE A 33 1.298 16.375 -0.808 1.00 72.02 H new ATOM 0 HG13 ILE A 33 1.690 16.957 -2.413 1.00 72.02 H new ATOM 0 HG21 ILE A 33 2.000 19.095 0.593 1.00 3.13 H new ATOM 0 HG22 ILE A 33 0.374 19.809 0.478 1.00 3.13 H new ATOM 0 HG23 ILE A 33 0.567 18.114 0.983 1.00 3.13 H new ATOM 0 HD11 ILE A 33 3.719 16.470 -1.138 1.00 4.01 H new ATOM 0 HD12 ILE A 33 3.614 18.209 -1.505 1.00 4.01 H new ATOM 0 HD13 ILE A 33 3.216 17.618 0.126 1.00 4.01 H new ATOM 555 N GLN A 34 -1.881 20.103 -0.773 1.00 41.05 N ATOM 556 CA GLN A 34 -2.580 21.373 -0.932 1.00 21.13 C ATOM 557 C GLN A 34 -2.456 22.223 0.329 1.00 75.15 C ATOM 558 O GLN A 34 -2.535 21.711 1.445 1.00 21.14 O ATOM 559 CB GLN A 34 -4.055 21.130 -1.255 1.00 51.32 C ATOM 560 CG GLN A 34 -4.278 20.402 -2.571 1.00 2.21 C ATOM 561 CD GLN A 34 -4.355 18.898 -2.400 1.00 23.14 C ATOM 562 OE1 GLN A 34 -4.008 18.363 -1.346 1.00 72.11 O ATOM 563 NE2 GLN A 34 -4.811 18.206 -3.437 1.00 43.24 N ATOM 0 H GLN A 34 -1.884 19.736 0.179 1.00 41.05 H new ATOM 0 HA GLN A 34 -2.119 21.913 -1.759 1.00 21.13 H new ATOM 0 HB2 GLN A 34 -4.504 20.551 -0.448 1.00 51.32 H new ATOM 0 HB3 GLN A 34 -4.574 22.088 -1.287 1.00 51.32 H new ATOM 0 HG2 GLN A 34 -5.201 20.760 -3.028 1.00 2.21 H new ATOM 0 HG3 GLN A 34 -3.467 20.645 -3.258 1.00 2.21 H new ATOM 0 HE21 GLN A 34 -5.088 18.690 -4.291 1.00 43.24 H new ATOM 0 HE22 GLN A 34 -4.885 17.190 -3.380 1.00 43.24 H new ATOM 572 N VAL A 35 -2.262 23.525 0.142 1.00 75.32 N ATOM 573 CA VAL A 35 -2.129 24.446 1.264 1.00 42.34 C ATOM 574 C VAL A 35 -2.575 25.852 0.876 1.00 32.34 C ATOM 575 O VAL A 35 -2.481 26.247 -0.286 1.00 52.51 O ATOM 576 CB VAL A 35 -0.677 24.503 1.773 1.00 5.14 C ATOM 577 CG1 VAL A 35 -0.303 23.202 2.468 1.00 41.24 C ATOM 578 CG2 VAL A 35 0.279 24.799 0.627 1.00 31.22 C ATOM 0 H VAL A 35 -2.194 23.965 -0.776 1.00 75.32 H new ATOM 0 HA VAL A 35 -2.771 24.070 2.060 1.00 42.34 H new ATOM 0 HB VAL A 35 -0.597 25.311 2.500 1.00 5.14 H new ATOM 0 HG11 VAL A 35 0.727 23.261 2.821 1.00 41.24 H new ATOM 0 HG12 VAL A 35 -0.968 23.038 3.316 1.00 41.24 H new ATOM 0 HG13 VAL A 35 -0.399 22.374 1.766 1.00 41.24 H new ATOM 0 HG21 VAL A 35 1.301 24.836 1.006 1.00 31.22 H new ATOM 0 HG22 VAL A 35 0.199 24.015 -0.126 1.00 31.22 H new ATOM 0 HG23 VAL A 35 0.024 25.759 0.179 1.00 31.22 H new ATOM 588 N THR A 36 -3.062 26.604 1.859 1.00 62.04 N ATOM 589 CA THR A 36 -3.524 27.966 1.621 1.00 23.34 C ATOM 590 C THR A 36 -2.367 28.957 1.681 1.00 31.11 C ATOM 591 O THR A 36 -1.354 28.706 2.334 1.00 31.42 O ATOM 592 CB THR A 36 -4.595 28.382 2.647 1.00 52.13 C ATOM 593 OG1 THR A 36 -4.125 28.132 3.976 1.00 43.31 O ATOM 594 CG2 THR A 36 -5.893 27.624 2.412 1.00 63.43 C ATOM 0 H THR A 36 -3.146 26.293 2.827 1.00 62.04 H new ATOM 0 HA THR A 36 -3.961 27.982 0.623 1.00 23.34 H new ATOM 0 HB THR A 36 -4.788 29.448 2.525 1.00 52.13 H new ATOM 0 HG1 THR A 36 -4.252 27.185 4.195 1.00 43.31 H new ATOM 0 HG21 THR A 36 -6.634 27.934 3.149 1.00 63.43 H new ATOM 0 HG22 THR A 36 -6.264 27.840 1.410 1.00 63.43 H new ATOM 0 HG23 THR A 36 -5.712 26.554 2.509 1.00 63.43 H new ATOM 602 N PHE A 37 -2.525 30.085 0.996 1.00 24.31 N ATOM 603 CA PHE A 37 -1.492 31.115 0.971 1.00 34.53 C ATOM 604 C PHE A 37 -1.086 31.512 2.387 1.00 33.15 C ATOM 605 O PHE A 37 0.099 31.594 2.705 1.00 44.50 O ATOM 606 CB PHE A 37 -1.987 32.344 0.207 1.00 51.04 C ATOM 607 CG PHE A 37 -1.175 33.580 0.468 1.00 25.24 C ATOM 608 CD1 PHE A 37 0.209 33.541 0.409 1.00 62.40 C ATOM 609 CD2 PHE A 37 -1.794 34.781 0.773 1.00 34.25 C ATOM 610 CE1 PHE A 37 0.959 34.676 0.650 1.00 1.13 C ATOM 611 CE2 PHE A 37 -1.050 35.920 1.015 1.00 23.24 C ATOM 612 CZ PHE A 37 0.329 35.867 0.953 1.00 50.53 C ATOM 0 H PHE A 37 -3.358 30.309 0.451 1.00 24.31 H new ATOM 0 HA PHE A 37 -0.619 30.707 0.462 1.00 34.53 H new ATOM 0 HB2 PHE A 37 -1.972 32.128 -0.861 1.00 51.04 H new ATOM 0 HB3 PHE A 37 -3.025 32.537 0.479 1.00 51.04 H new ATOM 0 HD1 PHE A 37 0.707 32.613 0.172 1.00 62.40 H new ATOM 0 HD2 PHE A 37 -2.872 34.828 0.822 1.00 34.25 H new ATOM 0 HE1 PHE A 37 2.037 34.632 0.601 1.00 1.13 H new ATOM 0 HE2 PHE A 37 -1.546 36.850 1.252 1.00 23.24 H new ATOM 0 HZ PHE A 37 0.913 36.755 1.141 1.00 50.53 H new ATOM 622 N GLY A 38 -2.081 31.758 3.235 1.00 21.41 N ATOM 623 CA GLY A 38 -1.808 32.144 4.607 1.00 0.10 C ATOM 624 C GLY A 38 -0.857 31.189 5.300 1.00 4.01 C ATOM 625 O GLY A 38 0.097 31.616 5.951 1.00 54.25 O ATOM 0 H GLY A 38 -3.071 31.697 2.996 1.00 21.41 H new ATOM 0 HA2 GLY A 38 -1.384 33.148 4.621 1.00 0.10 H new ATOM 0 HA3 GLY A 38 -2.745 32.186 5.163 1.00 0.10 H new ATOM 629 N GLU A 39 -1.117 29.893 5.162 1.00 22.30 N ATOM 630 CA GLU A 39 -0.277 28.875 5.783 1.00 42.21 C ATOM 631 C GLU A 39 1.113 28.858 5.152 1.00 34.23 C ATOM 632 O GLU A 39 2.125 28.908 5.852 1.00 42.31 O ATOM 633 CB GLU A 39 -0.926 27.496 5.651 1.00 11.00 C ATOM 634 CG GLU A 39 -1.998 27.226 6.693 1.00 34.12 C ATOM 635 CD GLU A 39 -2.806 25.979 6.389 1.00 12.14 C ATOM 636 OE1 GLU A 39 -3.774 26.074 5.606 1.00 45.53 O ATOM 637 OE2 GLU A 39 -2.470 24.908 6.936 1.00 72.50 O ATOM 0 H GLU A 39 -1.902 29.523 4.626 1.00 22.30 H new ATOM 0 HA GLU A 39 -0.175 29.120 6.840 1.00 42.21 H new ATOM 0 HB2 GLU A 39 -1.365 27.404 4.658 1.00 11.00 H new ATOM 0 HB3 GLU A 39 -0.154 26.731 5.730 1.00 11.00 H new ATOM 0 HG2 GLU A 39 -1.530 27.121 7.672 1.00 34.12 H new ATOM 0 HG3 GLU A 39 -2.668 28.084 6.750 1.00 34.12 H new ATOM 644 N LEU A 40 1.153 28.785 3.826 1.00 0.34 N ATOM 645 CA LEU A 40 2.418 28.761 3.100 1.00 73.53 C ATOM 646 C LEU A 40 3.295 29.944 3.494 1.00 44.13 C ATOM 647 O LEU A 40 4.471 29.777 3.821 1.00 54.31 O ATOM 648 CB LEU A 40 2.162 28.780 1.592 1.00 65.14 C ATOM 649 CG LEU A 40 2.661 27.563 0.811 1.00 50.42 C ATOM 650 CD1 LEU A 40 2.343 27.712 -0.669 1.00 4.10 C ATOM 651 CD2 LEU A 40 4.156 27.371 1.021 1.00 71.04 C ATOM 0 H LEU A 40 0.325 28.741 3.232 1.00 0.34 H new ATOM 0 HA LEU A 40 2.942 27.842 3.362 1.00 73.53 H new ATOM 0 HB2 LEU A 40 1.089 28.878 1.427 1.00 65.14 H new ATOM 0 HB3 LEU A 40 2.631 29.671 1.175 1.00 65.14 H new ATOM 0 HG LEU A 40 2.146 26.678 1.185 1.00 50.42 H new ATOM 0 HD11 LEU A 40 2.705 26.837 -1.209 1.00 4.10 H new ATOM 0 HD12 LEU A 40 1.265 27.800 -0.802 1.00 4.10 H new ATOM 0 HD13 LEU A 40 2.831 28.606 -1.058 1.00 4.10 H new ATOM 0 HD21 LEU A 40 4.494 26.501 0.458 1.00 71.04 H new ATOM 0 HD22 LEU A 40 4.689 28.257 0.674 1.00 71.04 H new ATOM 0 HD23 LEU A 40 4.358 27.218 2.081 1.00 71.04 H new ATOM 663 N PHE A 41 2.716 31.140 3.462 1.00 25.10 N ATOM 664 CA PHE A 41 3.445 32.352 3.817 1.00 25.10 C ATOM 665 C PHE A 41 3.944 32.285 5.258 1.00 71.54 C ATOM 666 O PHE A 41 5.125 32.505 5.528 1.00 34.23 O ATOM 667 CB PHE A 41 2.554 33.582 3.631 1.00 62.42 C ATOM 668 CG PHE A 41 3.319 34.872 3.567 1.00 44.41 C ATOM 669 CD1 PHE A 41 3.913 35.284 2.384 1.00 35.32 C ATOM 670 CD2 PHE A 41 3.446 35.674 4.690 1.00 51.43 C ATOM 671 CE1 PHE A 41 4.617 36.471 2.322 1.00 41.32 C ATOM 672 CE2 PHE A 41 4.149 36.863 4.633 1.00 12.03 C ATOM 673 CZ PHE A 41 4.736 37.261 3.448 1.00 2.33 C ATOM 0 H PHE A 41 1.744 31.296 3.194 1.00 25.10 H new ATOM 0 HA PHE A 41 4.308 32.433 3.156 1.00 25.10 H new ATOM 0 HB2 PHE A 41 1.975 33.466 2.715 1.00 62.42 H new ATOM 0 HB3 PHE A 41 1.841 33.632 4.454 1.00 62.42 H new ATOM 0 HD1 PHE A 41 3.824 34.670 1.500 1.00 35.32 H new ATOM 0 HD2 PHE A 41 2.991 35.367 5.620 1.00 51.43 H new ATOM 0 HE1 PHE A 41 5.074 36.781 1.394 1.00 41.32 H new ATOM 0 HE2 PHE A 41 4.239 37.480 5.515 1.00 12.03 H new ATOM 0 HZ PHE A 41 5.287 38.189 3.402 1.00 2.33 H new ATOM 683 N ASP A 42 3.036 31.979 6.178 1.00 53.33 N ATOM 684 CA ASP A 42 3.382 31.882 7.591 1.00 13.10 C ATOM 685 C ASP A 42 4.473 30.840 7.813 1.00 45.02 C ATOM 686 O ASP A 42 5.138 30.834 8.849 1.00 62.10 O ATOM 687 CB ASP A 42 2.145 31.527 8.418 1.00 71.14 C ATOM 688 CG ASP A 42 1.545 32.735 9.110 1.00 31.22 C ATOM 689 OD1 ASP A 42 0.778 33.474 8.457 1.00 24.31 O ATOM 690 OD2 ASP A 42 1.841 32.941 10.306 1.00 62.35 O ATOM 0 H ASP A 42 2.055 31.794 5.970 1.00 53.33 H new ATOM 0 HA ASP A 42 3.760 32.852 7.914 1.00 13.10 H new ATOM 0 HB2 ASP A 42 1.395 31.074 7.769 1.00 71.14 H new ATOM 0 HB3 ASP A 42 2.413 30.780 9.165 1.00 71.14 H new ATOM 695 N ARG A 43 4.652 29.960 6.833 1.00 31.32 N ATOM 696 CA ARG A 43 5.661 28.911 6.922 1.00 2.55 C ATOM 697 C ARG A 43 6.969 29.360 6.277 1.00 60.44 C ATOM 698 O ARG A 43 8.054 29.004 6.737 1.00 62.35 O ATOM 699 CB ARG A 43 5.160 27.632 6.250 1.00 53.44 C ATOM 700 CG ARG A 43 6.251 26.602 6.011 1.00 70.24 C ATOM 701 CD ARG A 43 6.944 26.214 7.307 1.00 23.32 C ATOM 702 NE ARG A 43 8.078 25.323 7.076 1.00 30.51 N ATOM 703 CZ ARG A 43 8.607 24.547 8.016 1.00 35.11 C ATOM 704 NH1 ARG A 43 8.106 24.553 9.244 1.00 60.32 N ATOM 705 NH2 ARG A 43 9.638 23.763 7.729 1.00 73.25 N ATOM 0 H ARG A 43 4.111 29.953 5.968 1.00 31.32 H new ATOM 0 HA ARG A 43 5.847 28.708 7.977 1.00 2.55 H new ATOM 0 HB2 ARG A 43 4.382 27.187 6.870 1.00 53.44 H new ATOM 0 HB3 ARG A 43 4.700 27.889 5.296 1.00 53.44 H new ATOM 0 HG2 ARG A 43 5.820 25.714 5.548 1.00 70.24 H new ATOM 0 HG3 ARG A 43 6.984 27.003 5.311 1.00 70.24 H new ATOM 0 HD2 ARG A 43 7.288 27.114 7.817 1.00 23.32 H new ATOM 0 HD3 ARG A 43 6.228 25.726 7.969 1.00 23.32 H new ATOM 0 HE ARG A 43 8.486 25.295 6.142 1.00 30.51 H new ATOM 0 HH11 ARG A 43 7.313 25.154 9.468 1.00 60.32 H new ATOM 0 HH12 ARG A 43 8.514 23.957 9.964 1.00 60.32 H new ATOM 0 HH21 ARG A 43 10.026 23.755 6.786 1.00 73.25 H new ATOM 0 HH22 ARG A 43 10.043 23.168 8.452 1.00 73.25 H new ATOM 719 N TYR A 44 6.858 30.141 5.209 1.00 53.54 N ATOM 720 CA TYR A 44 8.031 30.636 4.498 1.00 73.24 C ATOM 721 C TYR A 44 8.658 31.815 5.235 1.00 22.42 C ATOM 722 O TYR A 44 9.860 32.059 5.130 1.00 1.40 O ATOM 723 CB TYR A 44 7.653 31.053 3.075 1.00 31.52 C ATOM 724 CG TYR A 44 8.203 30.133 2.008 1.00 30.14 C ATOM 725 CD1 TYR A 44 7.525 28.975 1.645 1.00 45.52 C ATOM 726 CD2 TYR A 44 9.400 30.421 1.365 1.00 22.40 C ATOM 727 CE1 TYR A 44 8.024 28.132 0.671 1.00 24.22 C ATOM 728 CE2 TYR A 44 9.906 29.584 0.389 1.00 31.54 C ATOM 729 CZ TYR A 44 9.215 28.440 0.046 1.00 14.41 C ATOM 730 OH TYR A 44 9.716 27.603 -0.924 1.00 53.23 O ATOM 0 H TYR A 44 5.967 30.445 4.816 1.00 53.54 H new ATOM 0 HA TYR A 44 8.763 29.829 4.451 1.00 73.24 H new ATOM 0 HB2 TYR A 44 6.567 31.084 2.991 1.00 31.52 H new ATOM 0 HB3 TYR A 44 8.016 32.065 2.893 1.00 31.52 H new ATOM 0 HD1 TYR A 44 6.593 28.730 2.132 1.00 45.52 H new ATOM 0 HD2 TYR A 44 9.945 31.314 1.632 1.00 22.40 H new ATOM 0 HE1 TYR A 44 7.485 27.236 0.400 1.00 24.22 H new ATOM 0 HE2 TYR A 44 10.837 29.824 -0.103 1.00 31.54 H new ATOM 0 HH TYR A 44 10.561 27.965 -1.264 1.00 53.23 H new ATOM 740 N VAL A 45 7.835 32.542 5.983 1.00 12.32 N ATOM 741 CA VAL A 45 8.307 33.695 6.741 1.00 64.12 C ATOM 742 C VAL A 45 9.441 33.306 7.683 1.00 44.14 C ATOM 743 O VAL A 45 10.298 34.127 8.012 1.00 55.21 O ATOM 744 CB VAL A 45 7.170 34.332 7.561 1.00 52.45 C ATOM 745 CG1 VAL A 45 6.108 34.913 6.639 1.00 30.01 C ATOM 746 CG2 VAL A 45 6.562 33.312 8.511 1.00 4.24 C ATOM 0 H VAL A 45 6.837 32.353 6.081 1.00 12.32 H new ATOM 0 HA VAL A 45 8.673 34.422 6.016 1.00 64.12 H new ATOM 0 HB VAL A 45 7.586 35.145 8.156 1.00 52.45 H new ATOM 0 HG11 VAL A 45 5.312 35.359 7.236 1.00 30.01 H new ATOM 0 HG12 VAL A 45 6.556 35.677 6.003 1.00 30.01 H new ATOM 0 HG13 VAL A 45 5.694 34.120 6.016 1.00 30.01 H new ATOM 0 HG21 VAL A 45 5.760 33.780 9.082 1.00 4.24 H new ATOM 0 HG22 VAL A 45 6.160 32.476 7.939 1.00 4.24 H new ATOM 0 HG23 VAL A 45 7.330 32.948 9.194 1.00 4.24 H new ATOM 756 N ARG A 46 9.441 32.048 8.112 1.00 4.54 N ATOM 757 CA ARG A 46 10.470 31.550 9.017 1.00 3.43 C ATOM 758 C ARG A 46 11.649 30.977 8.237 1.00 63.41 C ATOM 759 O ARG A 46 12.527 30.329 8.807 1.00 23.43 O ATOM 760 CB ARG A 46 9.890 30.481 9.944 1.00 32.14 C ATOM 761 CG ARG A 46 9.613 30.981 11.353 1.00 61.11 C ATOM 762 CD ARG A 46 9.155 29.853 12.264 1.00 1.24 C ATOM 763 NE ARG A 46 8.843 30.329 13.610 1.00 64.05 N ATOM 764 CZ ARG A 46 8.159 29.619 14.500 1.00 51.42 C ATOM 765 NH1 ARG A 46 7.717 28.408 14.189 1.00 4.43 N ATOM 766 NH2 ARG A 46 7.915 30.121 15.704 1.00 63.11 N ATOM 0 H ARG A 46 8.740 31.355 7.848 1.00 4.54 H new ATOM 0 HA ARG A 46 10.826 32.387 9.617 1.00 3.43 H new ATOM 0 HB2 ARG A 46 8.963 30.103 9.513 1.00 32.14 H new ATOM 0 HB3 ARG A 46 10.583 29.642 9.995 1.00 32.14 H new ATOM 0 HG2 ARG A 46 10.514 31.437 11.762 1.00 61.11 H new ATOM 0 HG3 ARG A 46 8.849 31.758 11.321 1.00 61.11 H new ATOM 0 HD2 ARG A 46 8.274 29.376 11.835 1.00 1.24 H new ATOM 0 HD3 ARG A 46 9.934 29.093 12.320 1.00 1.24 H new ATOM 0 HE ARG A 46 9.168 31.257 13.881 1.00 64.05 H new ATOM 0 HH11 ARG A 46 7.902 28.019 13.264 1.00 4.43 H new ATOM 0 HH12 ARG A 46 7.192 27.865 14.875 1.00 4.43 H new ATOM 0 HH21 ARG A 46 8.253 31.052 15.946 1.00 63.11 H new ATOM 0 HH22 ARG A 46 7.390 29.575 16.387 1.00 63.11 H new ATOM 780 N ILE A 47 11.662 31.219 6.931 1.00 75.05 N ATOM 781 CA ILE A 47 12.732 30.727 6.073 1.00 44.02 C ATOM 782 C ILE A 47 13.262 31.833 5.166 1.00 61.41 C ATOM 783 O ILE A 47 14.376 32.323 5.353 1.00 15.11 O ATOM 784 CB ILE A 47 12.260 29.547 5.203 1.00 50.21 C ATOM 785 CG1 ILE A 47 11.767 28.399 6.086 1.00 5.02 C ATOM 786 CG2 ILE A 47 13.384 29.077 4.292 1.00 42.20 C ATOM 787 CD1 ILE A 47 10.864 27.425 5.363 1.00 62.21 C ATOM 0 H ILE A 47 10.943 31.753 6.444 1.00 75.05 H new ATOM 0 HA ILE A 47 13.531 30.385 6.731 1.00 44.02 H new ATOM 0 HB ILE A 47 11.431 29.883 4.580 1.00 50.21 H new ATOM 0 HG12 ILE A 47 12.628 27.859 6.480 1.00 5.02 H new ATOM 0 HG13 ILE A 47 11.231 28.813 6.940 1.00 5.02 H new ATOM 0 HG21 ILE A 47 13.035 28.243 3.684 1.00 42.20 H new ATOM 0 HG22 ILE A 47 13.692 29.896 3.642 1.00 42.20 H new ATOM 0 HG23 ILE A 47 14.232 28.755 4.897 1.00 42.20 H new ATOM 0 HD11 ILE A 47 10.553 26.638 6.050 1.00 62.21 H new ATOM 0 HD12 ILE A 47 9.984 27.951 4.992 1.00 62.21 H new ATOM 0 HD13 ILE A 47 11.403 26.983 4.525 1.00 62.21 H new ATOM 799 N SER A 48 12.456 32.222 4.183 1.00 31.43 N ATOM 800 CA SER A 48 12.844 33.269 3.245 1.00 31.53 C ATOM 801 C SER A 48 11.780 34.360 3.178 1.00 34.43 C ATOM 802 O SER A 48 12.092 35.536 2.991 1.00 34.24 O ATOM 803 CB SER A 48 13.072 32.676 1.853 1.00 11.42 C ATOM 804 OG SER A 48 13.809 31.468 1.927 1.00 11.32 O ATOM 0 H SER A 48 11.530 31.828 4.016 1.00 31.43 H new ATOM 0 HA SER A 48 13.774 33.714 3.599 1.00 31.53 H new ATOM 0 HB2 SER A 48 12.112 32.491 1.372 1.00 11.42 H new ATOM 0 HB3 SER A 48 13.607 33.394 1.232 1.00 11.42 H new ATOM 0 HG SER A 48 14.516 31.557 2.600 1.00 11.32 H new ATOM 810 N ASP A 49 10.522 33.960 3.332 1.00 10.41 N ATOM 811 CA ASP A 49 9.410 34.903 3.290 1.00 1.13 C ATOM 812 C ASP A 49 9.219 35.455 1.881 1.00 14.53 C ATOM 813 O ASP A 49 9.442 36.640 1.631 1.00 1.23 O ATOM 814 CB ASP A 49 9.649 36.050 4.273 1.00 0.32 C ATOM 815 CG ASP A 49 8.371 36.785 4.627 1.00 41.43 C ATOM 816 OD1 ASP A 49 7.620 37.150 3.698 1.00 12.41 O ATOM 817 OD2 ASP A 49 8.122 36.995 5.832 1.00 32.11 O ATOM 0 H ASP A 49 10.247 32.990 3.487 1.00 10.41 H new ATOM 0 HA ASP A 49 8.503 34.371 3.578 1.00 1.13 H new ATOM 0 HB2 ASP A 49 10.102 35.656 5.183 1.00 0.32 H new ATOM 0 HB3 ASP A 49 10.361 36.753 3.840 1.00 0.32 H new ATOM 822 N LYS A 50 8.804 34.589 0.963 1.00 45.11 N ATOM 823 CA LYS A 50 8.582 34.989 -0.422 1.00 24.24 C ATOM 824 C LYS A 50 7.987 33.841 -1.231 1.00 24.44 C ATOM 825 O LYS A 50 8.276 33.690 -2.418 1.00 32.31 O ATOM 826 CB LYS A 50 9.896 35.448 -1.058 1.00 51.44 C ATOM 827 CG LYS A 50 10.884 34.320 -1.296 1.00 60.35 C ATOM 828 CD LYS A 50 12.196 34.565 -0.570 1.00 61.24 C ATOM 829 CE LYS A 50 12.881 35.828 -1.068 1.00 41.23 C ATOM 830 NZ LYS A 50 14.359 35.662 -1.151 1.00 53.21 N ATOM 0 H LYS A 50 8.614 33.605 1.153 1.00 45.11 H new ATOM 0 HA LYS A 50 7.874 35.818 -0.426 1.00 24.24 H new ATOM 0 HB2 LYS A 50 9.679 35.936 -2.008 1.00 51.44 H new ATOM 0 HB3 LYS A 50 10.359 36.196 -0.414 1.00 51.44 H new ATOM 0 HG2 LYS A 50 10.451 33.378 -0.958 1.00 60.35 H new ATOM 0 HG3 LYS A 50 11.072 34.219 -2.365 1.00 60.35 H new ATOM 0 HD2 LYS A 50 12.010 34.649 0.501 1.00 61.24 H new ATOM 0 HD3 LYS A 50 12.857 33.710 -0.713 1.00 61.24 H new ATOM 0 HE2 LYS A 50 12.489 36.090 -2.051 1.00 41.23 H new ATOM 0 HE3 LYS A 50 12.646 36.656 -0.400 1.00 41.23 H new ATOM 0 HZ1 LYS A 50 14.789 36.545 -1.494 1.00 53.21 H new ATOM 0 HZ2 LYS A 50 14.737 35.437 -0.208 1.00 53.21 H new ATOM 0 HZ3 LYS A 50 14.585 34.888 -1.808 1.00 53.21 H new ATOM 844 N VAL A 51 7.154 33.034 -0.581 1.00 24.04 N ATOM 845 CA VAL A 51 6.517 31.901 -1.240 1.00 73.04 C ATOM 846 C VAL A 51 5.785 32.341 -2.503 1.00 52.22 C ATOM 847 O VAL A 51 5.906 31.713 -3.555 1.00 43.21 O ATOM 848 CB VAL A 51 5.520 31.194 -0.303 1.00 22.41 C ATOM 849 CG1 VAL A 51 4.527 32.192 0.273 1.00 63.15 C ATOM 850 CG2 VAL A 51 4.798 30.075 -1.039 1.00 43.34 C ATOM 0 H VAL A 51 6.905 33.144 0.402 1.00 24.04 H new ATOM 0 HA VAL A 51 7.311 31.203 -1.507 1.00 73.04 H new ATOM 0 HB VAL A 51 6.077 30.754 0.524 1.00 22.41 H new ATOM 0 HG11 VAL A 51 3.831 31.673 0.932 1.00 63.15 H new ATOM 0 HG12 VAL A 51 5.063 32.954 0.839 1.00 63.15 H new ATOM 0 HG13 VAL A 51 3.974 32.665 -0.539 1.00 63.15 H new ATOM 0 HG21 VAL A 51 4.098 29.587 -0.362 1.00 43.34 H new ATOM 0 HG22 VAL A 51 4.253 30.490 -1.887 1.00 43.34 H new ATOM 0 HG23 VAL A 51 5.525 29.346 -1.396 1.00 43.34 H new ATOM 860 N VAL A 52 5.024 33.426 -2.392 1.00 62.32 N ATOM 861 CA VAL A 52 4.273 33.952 -3.526 1.00 21.04 C ATOM 862 C VAL A 52 5.185 34.202 -4.721 1.00 64.22 C ATOM 863 O VAL A 52 4.782 34.027 -5.870 1.00 64.23 O ATOM 864 CB VAL A 52 3.552 35.263 -3.161 1.00 3.40 C ATOM 865 CG1 VAL A 52 2.959 35.910 -4.403 1.00 42.24 C ATOM 866 CG2 VAL A 52 2.475 35.007 -2.118 1.00 23.32 C ATOM 0 H VAL A 52 4.912 33.957 -1.529 1.00 62.32 H new ATOM 0 HA VAL A 52 3.531 33.199 -3.791 1.00 21.04 H new ATOM 0 HB VAL A 52 4.282 35.951 -2.735 1.00 3.40 H new ATOM 0 HG11 VAL A 52 2.454 36.835 -4.125 1.00 42.24 H new ATOM 0 HG12 VAL A 52 3.755 36.131 -5.114 1.00 42.24 H new ATOM 0 HG13 VAL A 52 2.242 35.229 -4.861 1.00 42.24 H new ATOM 0 HG21 VAL A 52 1.976 35.945 -1.872 1.00 23.32 H new ATOM 0 HG22 VAL A 52 1.745 34.301 -2.514 1.00 23.32 H new ATOM 0 HG23 VAL A 52 2.931 34.592 -1.219 1.00 23.32 H new ATOM 876 N GLY A 53 6.419 34.612 -4.442 1.00 0.10 N ATOM 877 CA GLY A 53 7.370 34.879 -5.505 1.00 4.22 C ATOM 878 C GLY A 53 7.844 33.613 -6.191 1.00 1.14 C ATOM 879 O GLY A 53 8.116 33.614 -7.392 1.00 14.44 O ATOM 0 H GLY A 53 6.777 34.764 -3.499 1.00 0.10 H new ATOM 0 HA2 GLY A 53 6.911 35.538 -6.242 1.00 4.22 H new ATOM 0 HA3 GLY A 53 8.229 35.410 -5.095 1.00 4.22 H new ATOM 883 N ILE A 54 7.945 32.531 -5.427 1.00 23.35 N ATOM 884 CA ILE A 54 8.390 31.253 -5.968 1.00 63.22 C ATOM 885 C ILE A 54 7.277 30.573 -6.757 1.00 72.54 C ATOM 886 O ILE A 54 7.533 29.879 -7.742 1.00 63.42 O ATOM 887 CB ILE A 54 8.867 30.304 -4.853 1.00 21.12 C ATOM 888 CG1 ILE A 54 9.992 30.955 -4.046 1.00 24.10 C ATOM 889 CG2 ILE A 54 9.329 28.981 -5.445 1.00 24.23 C ATOM 890 CD1 ILE A 54 9.847 30.775 -2.551 1.00 75.42 C ATOM 0 H ILE A 54 7.725 32.514 -4.431 1.00 23.35 H new ATOM 0 HA ILE A 54 9.226 31.467 -6.634 1.00 63.22 H new ATOM 0 HB ILE A 54 8.031 30.107 -4.182 1.00 21.12 H new ATOM 0 HG12 ILE A 54 10.946 30.534 -4.363 1.00 24.10 H new ATOM 0 HG13 ILE A 54 10.022 32.020 -4.274 1.00 24.10 H new ATOM 0 HG21 ILE A 54 9.663 28.321 -4.644 1.00 24.23 H new ATOM 0 HG22 ILE A 54 8.502 28.513 -5.980 1.00 24.23 H new ATOM 0 HG23 ILE A 54 10.153 29.159 -6.136 1.00 24.23 H new ATOM 0 HD11 ILE A 54 10.680 31.262 -2.043 1.00 75.42 H new ATOM 0 HD12 ILE A 54 8.909 31.221 -2.220 1.00 75.42 H new ATOM 0 HD13 ILE A 54 9.848 29.712 -2.311 1.00 75.42 H new ATOM 902 N LEU A 55 6.039 30.777 -6.320 1.00 3.21 N ATOM 903 CA LEU A 55 4.884 30.185 -6.986 1.00 45.25 C ATOM 904 C LEU A 55 4.907 30.483 -8.482 1.00 64.13 C ATOM 905 O LEU A 55 4.443 29.681 -9.292 1.00 32.23 O ATOM 906 CB LEU A 55 3.588 30.714 -6.369 1.00 64.25 C ATOM 907 CG LEU A 55 3.311 30.292 -4.926 1.00 62.21 C ATOM 908 CD1 LEU A 55 2.153 31.090 -4.350 1.00 15.54 C ATOM 909 CD2 LEU A 55 3.022 28.800 -4.853 1.00 34.30 C ATOM 0 H LEU A 55 5.809 31.348 -5.507 1.00 3.21 H new ATOM 0 HA LEU A 55 4.930 29.105 -6.848 1.00 45.25 H new ATOM 0 HB2 LEU A 55 3.607 31.803 -6.411 1.00 64.25 H new ATOM 0 HB3 LEU A 55 2.754 30.386 -6.989 1.00 64.25 H new ATOM 0 HG LEU A 55 4.200 30.499 -4.330 1.00 62.21 H new ATOM 0 HD11 LEU A 55 1.970 30.776 -3.322 1.00 15.54 H new ATOM 0 HD12 LEU A 55 2.399 32.152 -4.367 1.00 15.54 H new ATOM 0 HD13 LEU A 55 1.258 30.915 -4.947 1.00 15.54 H new ATOM 0 HD21 LEU A 55 2.827 28.517 -3.818 1.00 34.30 H new ATOM 0 HD22 LEU A 55 2.149 28.568 -5.463 1.00 34.30 H new ATOM 0 HD23 LEU A 55 3.883 28.244 -5.225 1.00 34.30 H new ATOM 921 N MET A 56 5.453 31.640 -8.842 1.00 12.22 N ATOM 922 CA MET A 56 5.539 32.042 -10.241 1.00 64.20 C ATOM 923 C MET A 56 6.368 31.043 -11.043 1.00 75.01 C ATOM 924 O MET A 56 6.050 30.742 -12.194 1.00 44.30 O ATOM 925 CB MET A 56 6.152 33.439 -10.356 1.00 25.21 C ATOM 926 CG MET A 56 5.451 34.482 -9.502 1.00 1.44 C ATOM 927 SD MET A 56 5.439 36.114 -10.269 1.00 74.11 S ATOM 928 CE MET A 56 4.180 36.936 -9.296 1.00 13.22 C ATOM 0 H MET A 56 5.842 32.315 -8.184 1.00 12.22 H new ATOM 0 HA MET A 56 4.529 32.062 -10.650 1.00 64.20 H new ATOM 0 HB2 MET A 56 7.202 33.391 -10.067 1.00 25.21 H new ATOM 0 HB3 MET A 56 6.122 33.755 -11.399 1.00 25.21 H new ATOM 0 HG2 MET A 56 4.425 34.164 -9.317 1.00 1.44 H new ATOM 0 HG3 MET A 56 5.945 34.544 -8.533 1.00 1.44 H new ATOM 0 HE1 MET A 56 4.056 37.959 -9.651 1.00 13.22 H new ATOM 0 HE2 MET A 56 3.236 36.401 -9.396 1.00 13.22 H new ATOM 0 HE3 MET A 56 4.481 36.949 -8.248 1.00 13.22 H new ATOM 938 N ARG A 57 7.429 30.533 -10.428 1.00 64.41 N ATOM 939 CA ARG A 57 8.303 29.569 -11.086 1.00 65.10 C ATOM 940 C ARG A 57 7.574 28.251 -11.329 1.00 71.04 C ATOM 941 O ARG A 57 7.574 27.727 -12.443 1.00 34.22 O ATOM 942 CB ARG A 57 9.555 29.323 -10.241 1.00 14.02 C ATOM 943 CG ARG A 57 10.421 28.184 -10.752 1.00 71.33 C ATOM 944 CD ARG A 57 10.472 27.033 -9.759 1.00 55.12 C ATOM 945 NE ARG A 57 11.401 25.988 -10.179 1.00 70.14 N ATOM 946 CZ ARG A 57 12.721 26.089 -10.067 1.00 14.24 C ATOM 947 NH1 ARG A 57 13.263 27.183 -9.549 1.00 60.21 N ATOM 948 NH2 ARG A 57 13.501 25.095 -10.471 1.00 54.15 N ATOM 0 H ARG A 57 7.705 30.771 -9.475 1.00 64.41 H new ATOM 0 HA ARG A 57 8.599 29.984 -12.050 1.00 65.10 H new ATOM 0 HB2 ARG A 57 10.150 30.236 -10.214 1.00 14.02 H new ATOM 0 HB3 ARG A 57 9.254 29.108 -9.216 1.00 14.02 H new ATOM 0 HG2 ARG A 57 10.029 27.827 -11.704 1.00 71.33 H new ATOM 0 HG3 ARG A 57 11.431 28.549 -10.939 1.00 71.33 H new ATOM 0 HD2 ARG A 57 10.770 27.411 -8.781 1.00 55.12 H new ATOM 0 HD3 ARG A 57 9.475 26.607 -9.646 1.00 55.12 H new ATOM 0 HE ARG A 57 11.015 25.133 -10.581 1.00 70.14 H new ATOM 0 HH11 ARG A 57 12.666 27.949 -9.236 1.00 60.21 H new ATOM 0 HH12 ARG A 57 14.277 27.259 -9.464 1.00 60.21 H new ATOM 0 HH21 ARG A 57 13.088 24.251 -10.868 1.00 54.15 H new ATOM 0 HH22 ARG A 57 14.514 25.174 -10.384 1.00 54.15 H new ATOM 962 N ALA A 58 6.954 27.721 -10.280 1.00 41.10 N ATOM 963 CA ALA A 58 6.220 26.466 -10.380 1.00 31.10 C ATOM 964 C ALA A 58 5.034 26.598 -11.329 1.00 73.21 C ATOM 965 O ALA A 58 4.622 25.625 -11.962 1.00 15.35 O ATOM 966 CB ALA A 58 5.750 26.018 -9.004 1.00 10.32 C ATOM 0 H ALA A 58 6.946 28.142 -9.351 1.00 41.10 H new ATOM 0 HA ALA A 58 6.894 25.711 -10.785 1.00 31.10 H new ATOM 0 HB1 ALA A 58 5.203 25.079 -9.094 1.00 10.32 H new ATOM 0 HB2 ALA A 58 6.613 25.874 -8.354 1.00 10.32 H new ATOM 0 HB3 ALA A 58 5.097 26.779 -8.577 1.00 10.32 H new ATOM 972 N ARG A 59 4.489 27.806 -11.423 1.00 54.32 N ATOM 973 CA ARG A 59 3.348 28.064 -12.294 1.00 2.30 C ATOM 974 C ARG A 59 3.728 27.870 -13.759 1.00 51.21 C ATOM 975 O ARG A 59 2.884 27.538 -14.592 1.00 21.02 O ATOM 976 CB ARG A 59 2.824 29.485 -12.076 1.00 31.22 C ATOM 977 CG ARG A 59 1.390 29.683 -12.539 1.00 71.41 C ATOM 978 CD ARG A 59 1.303 30.705 -13.661 1.00 40.41 C ATOM 979 NE ARG A 59 0.001 31.365 -13.701 1.00 14.02 N ATOM 980 CZ ARG A 59 -0.237 32.482 -14.379 1.00 1.31 C ATOM 981 NH1 ARG A 59 0.735 33.061 -15.071 1.00 12.24 N ATOM 982 NH2 ARG A 59 -1.449 33.022 -14.366 1.00 41.44 N ATOM 0 H ARG A 59 4.819 28.622 -10.907 1.00 54.32 H new ATOM 0 HA ARG A 59 2.562 27.352 -12.043 1.00 2.30 H new ATOM 0 HB2 ARG A 59 2.892 29.729 -11.016 1.00 31.22 H new ATOM 0 HB3 ARG A 59 3.468 30.186 -12.607 1.00 31.22 H new ATOM 0 HG2 ARG A 59 0.982 28.731 -12.880 1.00 71.41 H new ATOM 0 HG3 ARG A 59 0.777 30.010 -11.699 1.00 71.41 H new ATOM 0 HD2 ARG A 59 2.085 31.453 -13.531 1.00 40.41 H new ATOM 0 HD3 ARG A 59 1.489 30.212 -14.615 1.00 40.41 H new ATOM 0 HE ARG A 59 -0.768 30.945 -13.179 1.00 14.02 H new ATOM 0 HH11 ARG A 59 1.668 32.649 -15.083 1.00 12.24 H new ATOM 0 HH12 ARG A 59 0.550 33.919 -15.591 1.00 12.24 H new ATOM 0 HH21 ARG A 59 -2.199 32.579 -13.835 1.00 41.44 H new ATOM 0 HH22 ARG A 59 -1.631 33.880 -14.887 1.00 41.44 H new ATOM 996 N LYS A 60 5.003 28.080 -14.067 1.00 42.21 N ATOM 997 CA LYS A 60 5.496 27.928 -15.431 1.00 4.12 C ATOM 998 C LYS A 60 5.097 26.573 -16.006 1.00 13.10 C ATOM 999 O LYS A 60 4.854 26.444 -17.206 1.00 45.15 O ATOM 1000 CB LYS A 60 7.019 28.079 -15.464 1.00 50.21 C ATOM 1001 CG LYS A 60 7.514 29.387 -14.870 1.00 74.24 C ATOM 1002 CD LYS A 60 7.843 30.401 -15.953 1.00 14.44 C ATOM 1003 CE LYS A 60 7.431 31.807 -15.542 1.00 44.12 C ATOM 1004 NZ LYS A 60 7.510 32.763 -16.681 1.00 62.14 N ATOM 0 H LYS A 60 5.714 28.356 -13.390 1.00 42.21 H new ATOM 0 HA LYS A 60 5.046 28.710 -16.043 1.00 4.12 H new ATOM 0 HB2 LYS A 60 7.470 27.249 -14.920 1.00 50.21 H new ATOM 0 HB3 LYS A 60 7.361 28.006 -16.497 1.00 50.21 H new ATOM 0 HG2 LYS A 60 6.754 29.797 -14.205 1.00 74.24 H new ATOM 0 HG3 LYS A 60 8.400 29.200 -14.264 1.00 74.24 H new ATOM 0 HD2 LYS A 60 8.913 30.380 -16.160 1.00 14.44 H new ATOM 0 HD3 LYS A 60 7.334 30.127 -16.877 1.00 14.44 H new ATOM 0 HE2 LYS A 60 6.413 31.788 -15.154 1.00 44.12 H new ATOM 0 HE3 LYS A 60 8.075 32.152 -14.733 1.00 44.12 H new ATOM 0 HZ1 LYS A 60 7.222 33.709 -16.361 1.00 62.14 H new ATOM 0 HZ2 LYS A 60 8.487 32.800 -17.036 1.00 62.14 H new ATOM 0 HZ3 LYS A 60 6.877 32.448 -17.443 1.00 62.14 H new ATOM 1018 N HIS A 61 5.028 25.565 -15.142 1.00 2.31 N ATOM 1019 CA HIS A 61 4.655 24.220 -15.564 1.00 64.04 C ATOM 1020 C HIS A 61 3.321 23.808 -14.950 1.00 23.43 C ATOM 1021 O HIS A 61 3.098 22.634 -14.656 1.00 62.10 O ATOM 1022 CB HIS A 61 5.743 23.219 -15.171 1.00 15.40 C ATOM 1023 CG HIS A 61 7.062 23.477 -15.832 1.00 15.40 C ATOM 1024 ND1 HIS A 61 7.427 22.905 -17.032 1.00 73.21 N ATOM 1025 CD2 HIS A 61 8.104 24.253 -15.454 1.00 42.44 C ATOM 1026 CE1 HIS A 61 8.638 23.316 -17.363 1.00 54.12 C ATOM 1027 NE2 HIS A 61 9.071 24.136 -16.423 1.00 31.14 N ATOM 0 H HIS A 61 5.226 25.655 -14.145 1.00 2.31 H new ATOM 0 HA HIS A 61 4.549 24.222 -16.649 1.00 64.04 H new ATOM 0 HB2 HIS A 61 5.877 23.246 -14.090 1.00 15.40 H new ATOM 0 HB3 HIS A 61 5.409 22.213 -15.426 1.00 15.40 H new ATOM 0 HD2 HIS A 61 8.164 24.853 -14.558 1.00 42.44 H new ATOM 0 HE1 HIS A 61 9.181 23.030 -18.251 1.00 54.12 H new ATOM 0 HE2 HIS A 61 9.976 24.606 -16.417 1.00 31.14 H new ATOM 1035 N GLY A 62 2.437 24.782 -14.757 1.00 23.00 N ATOM 1036 CA GLY A 62 1.137 24.500 -14.177 1.00 41.14 C ATOM 1037 C GLY A 62 1.237 23.721 -12.881 1.00 12.43 C ATOM 1038 O GLY A 62 0.817 22.566 -12.808 1.00 23.41 O ATOM 0 H GLY A 62 2.598 25.761 -14.992 1.00 23.00 H new ATOM 0 HA2 GLY A 62 0.613 25.438 -13.994 1.00 41.14 H new ATOM 0 HA3 GLY A 62 0.539 23.935 -14.892 1.00 41.14 H new ATOM 1042 N LEU A 63 1.795 24.354 -11.854 1.00 71.23 N ATOM 1043 CA LEU A 63 1.950 23.712 -10.553 1.00 44.34 C ATOM 1044 C LEU A 63 1.087 24.400 -9.500 1.00 45.24 C ATOM 1045 O LEU A 63 0.726 23.799 -8.489 1.00 24.32 O ATOM 1046 CB LEU A 63 3.418 23.737 -10.122 1.00 51.55 C ATOM 1047 CG LEU A 63 3.753 22.979 -8.838 1.00 24.21 C ATOM 1048 CD1 LEU A 63 3.449 23.834 -7.618 1.00 2.21 C ATOM 1049 CD2 LEU A 63 2.984 21.667 -8.777 1.00 5.00 C ATOM 0 H LEU A 63 2.147 25.310 -11.897 1.00 71.23 H new ATOM 0 HA LEU A 63 1.622 22.677 -10.645 1.00 44.34 H new ATOM 0 HB2 LEU A 63 4.021 23.325 -10.931 1.00 51.55 H new ATOM 0 HB3 LEU A 63 3.721 24.776 -9.996 1.00 51.55 H new ATOM 0 HG LEU A 63 4.819 22.753 -8.841 1.00 24.21 H new ATOM 0 HD11 LEU A 63 3.694 23.277 -6.713 1.00 2.21 H new ATOM 0 HD12 LEU A 63 4.045 24.746 -7.655 1.00 2.21 H new ATOM 0 HD13 LEU A 63 2.390 24.092 -7.609 1.00 2.21 H new ATOM 0 HD21 LEU A 63 3.235 21.141 -7.856 1.00 5.00 H new ATOM 0 HD22 LEU A 63 1.914 21.871 -8.798 1.00 5.00 H new ATOM 0 HD23 LEU A 63 3.252 21.048 -9.633 1.00 5.00 H new ATOM 1061 N VAL A 64 0.758 25.664 -9.746 1.00 43.42 N ATOM 1062 CA VAL A 64 -0.065 26.434 -8.821 1.00 73.32 C ATOM 1063 C VAL A 64 -1.400 26.810 -9.456 1.00 25.33 C ATOM 1064 O VAL A 64 -1.443 27.513 -10.466 1.00 22.50 O ATOM 1065 CB VAL A 64 0.653 27.717 -8.364 1.00 42.22 C ATOM 1066 CG1 VAL A 64 1.857 27.376 -7.500 1.00 4.24 C ATOM 1067 CG2 VAL A 64 1.069 28.551 -9.566 1.00 53.54 C ATOM 0 H VAL A 64 1.049 26.177 -10.578 1.00 43.42 H new ATOM 0 HA VAL A 64 -0.244 25.799 -7.953 1.00 73.32 H new ATOM 0 HB VAL A 64 -0.040 28.306 -7.764 1.00 42.22 H new ATOM 0 HG11 VAL A 64 2.352 28.295 -7.186 1.00 4.24 H new ATOM 0 HG12 VAL A 64 1.529 26.822 -6.620 1.00 4.24 H new ATOM 0 HG13 VAL A 64 2.555 26.766 -8.073 1.00 4.24 H new ATOM 0 HG21 VAL A 64 1.575 29.454 -9.225 1.00 53.54 H new ATOM 0 HG22 VAL A 64 1.745 27.972 -10.194 1.00 53.54 H new ATOM 0 HG23 VAL A 64 0.185 28.826 -10.142 1.00 53.54 H new ATOM 1077 N HIS A 65 -2.488 26.337 -8.856 1.00 2.50 N ATOM 1078 CA HIS A 65 -3.825 26.625 -9.362 1.00 13.21 C ATOM 1079 C HIS A 65 -4.387 27.891 -8.722 1.00 54.12 C ATOM 1080 O HIS A 65 -5.567 28.207 -8.879 1.00 50.01 O ATOM 1081 CB HIS A 65 -4.760 25.446 -9.093 1.00 20.53 C ATOM 1082 CG HIS A 65 -5.682 25.139 -10.233 1.00 5.21 C ATOM 1083 ND1 HIS A 65 -6.010 26.062 -11.204 1.00 63.50 N ATOM 1084 CD2 HIS A 65 -6.344 24.004 -10.555 1.00 74.11 C ATOM 1085 CE1 HIS A 65 -6.836 25.507 -12.073 1.00 40.41 C ATOM 1086 NE2 HIS A 65 -7.055 24.259 -11.702 1.00 63.34 N ATOM 0 H HIS A 65 -2.470 25.753 -8.020 1.00 2.50 H new ATOM 0 HA HIS A 65 -3.753 26.784 -10.438 1.00 13.21 H new ATOM 0 HB2 HIS A 65 -4.162 24.562 -8.872 1.00 20.53 H new ATOM 0 HB3 HIS A 65 -5.354 25.659 -8.204 1.00 20.53 H new ATOM 0 HD2 HIS A 65 -6.318 23.071 -10.011 1.00 74.11 H new ATOM 0 HE1 HIS A 65 -7.260 25.992 -12.940 1.00 40.41 H new ATOM 0 HE2 HIS A 65 -7.655 23.593 -12.188 1.00 63.34 H new ATOM 1094 N PHE A 66 -3.536 28.612 -8.000 1.00 63.13 N ATOM 1095 CA PHE A 66 -3.948 29.842 -7.335 1.00 41.53 C ATOM 1096 C PHE A 66 -4.299 30.921 -8.356 1.00 73.21 C ATOM 1097 O PHE A 66 -3.907 30.839 -9.520 1.00 11.45 O ATOM 1098 CB PHE A 66 -2.838 30.343 -6.409 1.00 44.33 C ATOM 1099 CG PHE A 66 -1.789 31.154 -7.115 1.00 2.40 C ATOM 1100 CD1 PHE A 66 -1.164 30.665 -8.251 1.00 3.34 C ATOM 1101 CD2 PHE A 66 -1.428 32.406 -6.642 1.00 64.23 C ATOM 1102 CE1 PHE A 66 -0.198 31.409 -8.903 1.00 13.33 C ATOM 1103 CE2 PHE A 66 -0.463 33.154 -7.290 1.00 54.53 C ATOM 1104 CZ PHE A 66 0.153 32.655 -8.421 1.00 51.11 C ATOM 0 H PHE A 66 -2.556 28.365 -7.861 1.00 63.13 H new ATOM 0 HA PHE A 66 -4.836 29.625 -6.742 1.00 41.53 H new ATOM 0 HB2 PHE A 66 -3.281 30.947 -5.617 1.00 44.33 H new ATOM 0 HB3 PHE A 66 -2.363 29.488 -5.929 1.00 44.33 H new ATOM 0 HD1 PHE A 66 -1.435 29.691 -8.632 1.00 3.34 H new ATOM 0 HD2 PHE A 66 -1.906 32.801 -5.758 1.00 64.23 H new ATOM 0 HE1 PHE A 66 0.281 31.017 -9.788 1.00 13.33 H new ATOM 0 HE2 PHE A 66 -0.191 34.128 -6.912 1.00 54.53 H new ATOM 0 HZ PHE A 66 0.908 33.238 -8.928 1.00 51.11 H new ATOM 1114 N GLU A 67 -5.042 31.930 -7.911 1.00 23.34 N ATOM 1115 CA GLU A 67 -5.447 33.023 -8.786 1.00 12.45 C ATOM 1116 C GLU A 67 -4.233 33.810 -9.272 1.00 72.31 C ATOM 1117 O GLU A 67 -3.091 33.428 -9.021 1.00 31.25 O ATOM 1118 CB GLU A 67 -6.415 33.958 -8.056 1.00 62.31 C ATOM 1119 CG GLU A 67 -5.835 34.566 -6.790 1.00 54.10 C ATOM 1120 CD GLU A 67 -6.433 35.922 -6.468 1.00 42.11 C ATOM 1121 OE1 GLU A 67 -7.619 35.970 -6.081 1.00 54.13 O ATOM 1122 OE2 GLU A 67 -5.715 36.935 -6.603 1.00 22.41 O ATOM 0 H GLU A 67 -5.375 32.013 -6.950 1.00 23.34 H new ATOM 0 HA GLU A 67 -5.950 32.593 -9.652 1.00 12.45 H new ATOM 0 HB2 GLU A 67 -6.711 34.760 -8.732 1.00 62.31 H new ATOM 0 HB3 GLU A 67 -7.319 33.405 -7.802 1.00 62.31 H new ATOM 0 HG2 GLU A 67 -6.008 33.889 -5.954 1.00 54.10 H new ATOM 0 HG3 GLU A 67 -4.755 34.666 -6.901 1.00 54.10 H new ATOM 1129 N GLY A 68 -4.490 34.911 -9.972 1.00 31.05 N ATOM 1130 CA GLY A 68 -3.410 35.734 -10.483 1.00 64.42 C ATOM 1131 C GLY A 68 -3.233 37.016 -9.694 1.00 32.30 C ATOM 1132 O GLY A 68 -3.825 37.182 -8.628 1.00 20.50 O ATOM 0 H GLY A 68 -5.427 35.247 -10.194 1.00 31.05 H new ATOM 0 HA2 GLY A 68 -2.481 35.165 -10.458 1.00 64.42 H new ATOM 0 HA3 GLY A 68 -3.606 35.978 -11.527 1.00 64.42 H new ATOM 1136 N GLU A 69 -2.416 37.924 -10.218 1.00 23.31 N ATOM 1137 CA GLU A 69 -2.162 39.196 -9.553 1.00 3.24 C ATOM 1138 C GLU A 69 -1.513 38.977 -8.189 1.00 1.21 C ATOM 1139 O GLU A 69 -1.639 39.808 -7.289 1.00 71.54 O ATOM 1140 CB GLU A 69 -3.465 39.981 -9.389 1.00 71.14 C ATOM 1141 CG GLU A 69 -4.233 40.162 -10.688 1.00 32.01 C ATOM 1142 CD GLU A 69 -5.603 40.776 -10.475 1.00 11.25 C ATOM 1143 OE1 GLU A 69 -5.725 41.673 -9.614 1.00 25.31 O ATOM 1144 OE2 GLU A 69 -6.554 40.360 -11.169 1.00 61.12 O ATOM 0 H GLU A 69 -1.919 37.802 -11.100 1.00 23.31 H new ATOM 0 HA GLU A 69 -1.476 39.771 -10.175 1.00 3.24 H new ATOM 0 HB2 GLU A 69 -4.101 39.467 -8.669 1.00 71.14 H new ATOM 0 HB3 GLU A 69 -3.239 40.962 -8.971 1.00 71.14 H new ATOM 0 HG2 GLU A 69 -3.656 40.795 -11.362 1.00 32.01 H new ATOM 0 HG3 GLU A 69 -4.345 39.195 -11.178 1.00 32.01 H new ATOM 1151 N MET A 70 -0.819 37.853 -8.044 1.00 50.00 N ATOM 1152 CA MET A 70 -0.150 37.525 -6.791 1.00 22.44 C ATOM 1153 C MET A 70 -1.155 37.423 -5.648 1.00 11.51 C ATOM 1154 O MET A 70 -2.365 37.514 -5.862 1.00 2.12 O ATOM 1155 CB MET A 70 0.909 38.579 -6.462 1.00 24.51 C ATOM 1156 CG MET A 70 1.536 39.215 -7.692 1.00 22.50 C ATOM 1157 SD MET A 70 3.021 40.162 -7.304 1.00 74.32 S ATOM 1158 CE MET A 70 2.408 41.836 -7.475 1.00 42.12 C ATOM 0 H MET A 70 -0.705 37.154 -8.778 1.00 50.00 H new ATOM 0 HA MET A 70 0.336 36.557 -6.911 1.00 22.44 H new ATOM 0 HB2 MET A 70 0.456 39.359 -5.851 1.00 24.51 H new ATOM 0 HB3 MET A 70 1.693 38.119 -5.861 1.00 24.51 H new ATOM 0 HG2 MET A 70 1.785 38.436 -8.412 1.00 22.50 H new ATOM 0 HG3 MET A 70 0.807 39.870 -8.169 1.00 22.50 H new ATOM 0 HE1 MET A 70 3.212 42.541 -7.266 1.00 42.12 H new ATOM 0 HE2 MET A 70 2.047 41.989 -8.492 1.00 42.12 H new ATOM 0 HE3 MET A 70 1.591 41.998 -6.771 1.00 42.12 H new ATOM 1168 N LEU A 71 -0.648 37.235 -4.435 1.00 22.13 N ATOM 1169 CA LEU A 71 -1.502 37.121 -3.257 1.00 41.15 C ATOM 1170 C LEU A 71 -1.007 38.029 -2.136 1.00 72.00 C ATOM 1171 O LEU A 71 0.143 37.933 -1.709 1.00 3.32 O ATOM 1172 CB LEU A 71 -1.546 35.671 -2.773 1.00 63.22 C ATOM 1173 CG LEU A 71 -1.872 34.619 -3.834 1.00 21.44 C ATOM 1174 CD1 LEU A 71 -2.047 33.251 -3.192 1.00 73.13 C ATOM 1175 CD2 LEU A 71 -3.122 35.011 -4.608 1.00 1.14 C ATOM 0 H LEU A 71 0.350 37.158 -4.241 1.00 22.13 H new ATOM 0 HA LEU A 71 -2.508 37.435 -3.536 1.00 41.15 H new ATOM 0 HB2 LEU A 71 -0.579 35.426 -2.333 1.00 63.22 H new ATOM 0 HB3 LEU A 71 -2.287 35.597 -1.977 1.00 63.22 H new ATOM 0 HG LEU A 71 -1.038 34.566 -4.534 1.00 21.44 H new ATOM 0 HD11 LEU A 71 -2.279 32.515 -3.962 1.00 73.13 H new ATOM 0 HD12 LEU A 71 -1.126 32.967 -2.684 1.00 73.13 H new ATOM 0 HD13 LEU A 71 -2.863 33.290 -2.470 1.00 73.13 H new ATOM 0 HD21 LEU A 71 -3.339 34.251 -5.359 1.00 1.14 H new ATOM 0 HD22 LEU A 71 -3.964 35.093 -3.921 1.00 1.14 H new ATOM 0 HD23 LEU A 71 -2.960 35.970 -5.100 1.00 1.14 H new ATOM 1187 N TRP A 72 -1.884 38.907 -1.663 1.00 10.11 N ATOM 1188 CA TRP A 72 -1.537 39.831 -0.589 1.00 23.20 C ATOM 1189 C TRP A 72 -1.940 39.264 0.768 1.00 43.30 C ATOM 1190 O TRP A 72 -3.047 38.754 0.932 1.00 15.24 O ATOM 1191 CB TRP A 72 -2.215 41.183 -0.813 1.00 10.44 C ATOM 1192 CG TRP A 72 -1.606 41.976 -1.929 1.00 60.14 C ATOM 1193 CD1 TRP A 72 -2.260 42.531 -2.992 1.00 11.10 C ATOM 1194 CD2 TRP A 72 -0.221 42.299 -2.095 1.00 11.43 C ATOM 1195 NE1 TRP A 72 -1.365 43.180 -3.808 1.00 12.31 N ATOM 1196 CE2 TRP A 72 -0.108 43.054 -3.279 1.00 60.40 C ATOM 1197 CE3 TRP A 72 0.934 42.027 -1.357 1.00 11.33 C ATOM 1198 CZ2 TRP A 72 1.114 43.536 -3.740 1.00 60.11 C ATOM 1199 CZ3 TRP A 72 2.146 42.506 -1.816 1.00 0.41 C ATOM 1200 CH2 TRP A 72 2.229 43.254 -2.998 1.00 14.42 C ATOM 0 H TRP A 72 -2.840 38.999 -2.006 1.00 10.11 H new ATOM 0 HA TRP A 72 -0.456 39.969 -0.597 1.00 23.20 H new ATOM 0 HB2 TRP A 72 -3.271 41.020 -1.027 1.00 10.44 H new ATOM 0 HB3 TRP A 72 -2.162 41.765 0.107 1.00 10.44 H new ATOM 0 HD1 TRP A 72 -3.324 42.469 -3.166 1.00 11.10 H new ATOM 0 HE1 TRP A 72 -1.599 43.675 -4.668 1.00 12.31 H new ATOM 0 HE3 TRP A 72 0.880 41.453 -0.444 1.00 11.33 H new ATOM 0 HZ2 TRP A 72 1.180 44.112 -4.651 1.00 60.11 H new ATOM 0 HZ3 TRP A 72 3.045 42.300 -1.254 1.00 0.41 H new ATOM 0 HH2 TRP A 72 3.191 43.615 -3.330 1.00 14.42 H new ATOM 1211 N GLN A 73 -1.034 39.358 1.736 1.00 21.41 N ATOM 1212 CA GLN A 73 -1.297 38.853 3.079 1.00 42.23 C ATOM 1213 C GLN A 73 -2.506 39.549 3.694 1.00 33.25 C ATOM 1214 O GLN A 73 -2.554 40.775 3.778 1.00 3.21 O ATOM 1215 CB GLN A 73 -0.070 39.053 3.971 1.00 71.44 C ATOM 1216 CG GLN A 73 -0.097 38.214 5.239 1.00 51.55 C ATOM 1217 CD GLN A 73 0.109 39.044 6.491 1.00 70.33 C ATOM 1218 OE1 GLN A 73 1.202 39.073 7.057 1.00 41.11 O ATOM 1219 NE2 GLN A 73 -0.943 39.724 6.930 1.00 33.25 N ATOM 0 H GLN A 73 -0.113 39.779 1.616 1.00 21.41 H new ATOM 0 HA GLN A 73 -1.513 37.787 3.004 1.00 42.23 H new ATOM 0 HB2 GLN A 73 0.827 38.808 3.402 1.00 71.44 H new ATOM 0 HB3 GLN A 73 0.003 40.106 4.243 1.00 71.44 H new ATOM 0 HG2 GLN A 73 -1.052 37.693 5.306 1.00 51.55 H new ATOM 0 HG3 GLN A 73 0.679 37.450 5.182 1.00 51.55 H new ATOM 0 HE21 GLN A 73 -1.830 39.671 6.429 1.00 33.25 H new ATOM 0 HE22 GLN A 73 -0.864 40.300 7.768 1.00 33.25 H new ATOM 1228 N GLY A 74 -3.484 38.756 4.124 1.00 4.13 N ATOM 1229 CA GLY A 74 -4.680 39.314 4.726 1.00 35.14 C ATOM 1230 C GLY A 74 -5.744 39.648 3.700 1.00 51.54 C ATOM 1231 O GLY A 74 -6.851 40.058 4.051 1.00 21.52 O ATOM 0 H GLY A 74 -3.468 37.738 4.066 1.00 4.13 H new ATOM 0 HA2 GLY A 74 -5.085 38.604 5.447 1.00 35.14 H new ATOM 0 HA3 GLY A 74 -4.418 40.216 5.279 1.00 35.14 H new ATOM 1235 N LYS A 75 -5.409 39.476 2.425 1.00 11.44 N ATOM 1236 CA LYS A 75 -6.343 39.763 1.343 1.00 62.02 C ATOM 1237 C LYS A 75 -6.573 38.526 0.481 1.00 64.23 C ATOM 1238 O LYS A 75 -7.682 38.288 0.002 1.00 2.42 O ATOM 1239 CB LYS A 75 -5.816 40.910 0.477 1.00 22.15 C ATOM 1240 CG LYS A 75 -6.626 41.140 -0.787 1.00 10.15 C ATOM 1241 CD LYS A 75 -8.079 41.451 -0.469 1.00 0.24 C ATOM 1242 CE LYS A 75 -8.651 42.484 -1.428 1.00 23.12 C ATOM 1243 NZ LYS A 75 -10.115 42.302 -1.631 1.00 64.41 N ATOM 0 H LYS A 75 -4.497 39.139 2.116 1.00 11.44 H new ATOM 0 HA LYS A 75 -7.294 40.058 1.786 1.00 62.02 H new ATOM 0 HB2 LYS A 75 -5.811 41.827 1.067 1.00 22.15 H new ATOM 0 HB3 LYS A 75 -4.782 40.702 0.203 1.00 22.15 H new ATOM 0 HG2 LYS A 75 -6.192 41.964 -1.353 1.00 10.15 H new ATOM 0 HG3 LYS A 75 -6.573 40.255 -1.421 1.00 10.15 H new ATOM 0 HD2 LYS A 75 -8.669 40.536 -0.524 1.00 0.24 H new ATOM 0 HD3 LYS A 75 -8.158 41.820 0.554 1.00 0.24 H new ATOM 0 HE2 LYS A 75 -8.460 43.485 -1.040 1.00 23.12 H new ATOM 0 HE3 LYS A 75 -8.139 42.411 -2.388 1.00 23.12 H new ATOM 0 HZ1 LYS A 75 -10.467 43.025 -2.291 1.00 64.41 H new ATOM 0 HZ2 LYS A 75 -10.296 41.357 -2.025 1.00 64.41 H new ATOM 0 HZ3 LYS A 75 -10.606 42.397 -0.719 1.00 64.41 H new ATOM 1257 N ASP A 76 -5.519 37.741 0.288 1.00 65.31 N ATOM 1258 CA ASP A 76 -5.606 36.526 -0.515 1.00 13.15 C ATOM 1259 C ASP A 76 -5.262 35.297 0.321 1.00 61.13 C ATOM 1260 O ASP A 76 -5.020 34.216 -0.217 1.00 51.45 O ATOM 1261 CB ASP A 76 -4.670 36.617 -1.721 1.00 10.35 C ATOM 1262 CG ASP A 76 -5.363 37.169 -2.951 1.00 3.42 C ATOM 1263 OD1 ASP A 76 -6.468 36.687 -3.276 1.00 50.34 O ATOM 1264 OD2 ASP A 76 -4.800 38.084 -3.588 1.00 0.23 O ATOM 0 H ASP A 76 -4.594 37.924 0.677 1.00 65.31 H new ATOM 0 HA ASP A 76 -6.632 36.427 -0.869 1.00 13.15 H new ATOM 0 HB2 ASP A 76 -3.820 37.252 -1.471 1.00 10.35 H new ATOM 0 HB3 ASP A 76 -4.273 35.627 -1.945 1.00 10.35 H new ATOM 1269 N ASP A 77 -5.241 35.470 1.638 1.00 44.04 N ATOM 1270 CA ASP A 77 -4.926 34.375 2.548 1.00 63.13 C ATOM 1271 C ASP A 77 -5.885 33.206 2.344 1.00 43.20 C ATOM 1272 O ASP A 77 -5.546 32.056 2.623 1.00 30.41 O ATOM 1273 CB ASP A 77 -4.988 34.855 3.998 1.00 12.25 C ATOM 1274 CG ASP A 77 -3.612 35.042 4.606 1.00 1.03 C ATOM 1275 OD1 ASP A 77 -2.648 35.251 3.840 1.00 0.30 O ATOM 1276 OD2 ASP A 77 -3.499 34.980 5.848 1.00 21.22 O ATOM 0 H ASP A 77 -5.438 36.358 2.099 1.00 44.04 H new ATOM 0 HA ASP A 77 -3.914 34.033 2.330 1.00 63.13 H new ATOM 0 HB2 ASP A 77 -5.533 35.798 4.042 1.00 12.25 H new ATOM 0 HB3 ASP A 77 -5.550 34.134 4.592 1.00 12.25 H new ATOM 1281 N HIS A 78 -7.084 33.509 1.857 1.00 42.23 N ATOM 1282 CA HIS A 78 -8.093 32.484 1.616 1.00 23.41 C ATOM 1283 C HIS A 78 -7.749 31.664 0.376 1.00 20.21 C ATOM 1284 O HIS A 78 -8.254 30.556 0.192 1.00 3.02 O ATOM 1285 CB HIS A 78 -9.472 33.123 1.453 1.00 42.33 C ATOM 1286 CG HIS A 78 -9.625 33.899 0.181 1.00 52.22 C ATOM 1287 ND1 HIS A 78 -8.745 34.674 -0.495 1.00 25.22 N flip ATOM 1288 CD2 HIS A 78 -10.799 33.934 -0.543 1.00 50.12 C flip ATOM 1289 CE1 HIS A 78 -9.395 35.157 -1.604 1.00 21.12 C flip ATOM 1290 NE2 HIS A 78 -10.633 34.695 -1.610 1.00 74.31 N flip ATOM 0 H HIS A 78 -7.381 34.456 1.622 1.00 42.23 H new ATOM 0 HA HIS A 78 -8.110 31.817 2.478 1.00 23.41 H new ATOM 0 HB2 HIS A 78 -10.232 32.342 1.486 1.00 42.33 H new ATOM 0 HB3 HIS A 78 -9.659 33.786 2.298 1.00 42.33 H new ATOM 0 HD2 HIS A 78 -11.711 33.420 -0.279 1.00 50.12 H new ATOM 0 HE1 HIS A 78 -8.964 35.809 -2.350 1.00 21.12 H new ATOM 0 HE2 HIS A 78 -11.340 34.892 -2.318 1.00 74.31 H new ATOM 1298 N VAL A 79 -6.888 32.216 -0.472 1.00 65.15 N ATOM 1299 CA VAL A 79 -6.476 31.536 -1.695 1.00 32.12 C ATOM 1300 C VAL A 79 -5.903 30.156 -1.390 1.00 41.50 C ATOM 1301 O VAL A 79 -4.857 30.034 -0.752 1.00 72.10 O ATOM 1302 CB VAL A 79 -5.427 32.357 -2.468 1.00 24.44 C ATOM 1303 CG1 VAL A 79 -4.943 31.590 -3.690 1.00 15.54 C ATOM 1304 CG2 VAL A 79 -5.997 33.709 -2.867 1.00 71.01 C ATOM 0 H VAL A 79 -6.462 33.132 -0.335 1.00 65.15 H new ATOM 0 HA VAL A 79 -7.368 31.427 -2.313 1.00 32.12 H new ATOM 0 HB VAL A 79 -4.571 32.528 -1.815 1.00 24.44 H new ATOM 0 HG11 VAL A 79 -4.202 32.186 -4.224 1.00 15.54 H new ATOM 0 HG12 VAL A 79 -4.493 30.649 -3.374 1.00 15.54 H new ATOM 0 HG13 VAL A 79 -5.787 31.385 -4.349 1.00 15.54 H new ATOM 0 HG21 VAL A 79 -5.242 34.276 -3.412 1.00 71.01 H new ATOM 0 HG22 VAL A 79 -6.870 33.562 -3.503 1.00 71.01 H new ATOM 0 HG23 VAL A 79 -6.288 34.260 -1.972 1.00 71.01 H new ATOM 1314 N VAL A 80 -6.595 29.119 -1.851 1.00 3.10 N ATOM 1315 CA VAL A 80 -6.154 27.747 -1.629 1.00 41.13 C ATOM 1316 C VAL A 80 -5.239 27.275 -2.754 1.00 54.21 C ATOM 1317 O VAL A 80 -5.672 27.124 -3.897 1.00 61.30 O ATOM 1318 CB VAL A 80 -7.351 26.784 -1.518 1.00 1.24 C ATOM 1319 CG1 VAL A 80 -6.872 25.341 -1.464 1.00 55.32 C ATOM 1320 CG2 VAL A 80 -8.193 27.121 -0.296 1.00 62.12 C ATOM 0 H VAL A 80 -7.463 29.203 -2.380 1.00 3.10 H new ATOM 0 HA VAL A 80 -5.603 27.740 -0.689 1.00 41.13 H new ATOM 0 HB VAL A 80 -7.974 26.902 -2.405 1.00 1.24 H new ATOM 0 HG11 VAL A 80 -7.731 24.675 -1.386 1.00 55.32 H new ATOM 0 HG12 VAL A 80 -6.314 25.109 -2.371 1.00 55.32 H new ATOM 0 HG13 VAL A 80 -6.227 25.204 -0.596 1.00 55.32 H new ATOM 0 HG21 VAL A 80 -9.035 26.431 -0.232 1.00 62.12 H new ATOM 0 HG22 VAL A 80 -7.582 27.032 0.602 1.00 62.12 H new ATOM 0 HG23 VAL A 80 -8.566 28.142 -0.381 1.00 62.12 H new ATOM 1330 N ILE A 81 -3.974 27.044 -2.422 1.00 43.14 N ATOM 1331 CA ILE A 81 -2.998 26.588 -3.405 1.00 32.45 C ATOM 1332 C ILE A 81 -2.867 25.068 -3.384 1.00 50.50 C ATOM 1333 O ILE A 81 -2.320 24.493 -2.442 1.00 42.55 O ATOM 1334 CB ILE A 81 -1.614 27.215 -3.156 1.00 64.53 C ATOM 1335 CG1 ILE A 81 -1.706 28.741 -3.200 1.00 3.23 C ATOM 1336 CG2 ILE A 81 -0.612 26.709 -4.184 1.00 5.54 C ATOM 1337 CD1 ILE A 81 -1.609 29.391 -1.837 1.00 44.44 C ATOM 0 H ILE A 81 -3.600 27.165 -1.481 1.00 43.14 H new ATOM 0 HA ILE A 81 -3.361 26.906 -4.382 1.00 32.45 H new ATOM 0 HB ILE A 81 -1.270 26.920 -2.165 1.00 64.53 H new ATOM 0 HG12 ILE A 81 -0.909 29.127 -3.835 1.00 3.23 H new ATOM 0 HG13 ILE A 81 -2.650 29.027 -3.664 1.00 3.23 H new ATOM 0 HG21 ILE A 81 0.362 27.161 -3.996 1.00 5.54 H new ATOM 0 HG22 ILE A 81 -0.530 25.625 -4.109 1.00 5.54 H new ATOM 0 HG23 ILE A 81 -0.950 26.979 -5.185 1.00 5.54 H new ATOM 0 HD11 ILE A 81 -1.682 30.473 -1.944 1.00 44.44 H new ATOM 0 HD12 ILE A 81 -2.422 29.033 -1.205 1.00 44.44 H new ATOM 0 HD13 ILE A 81 -0.654 29.135 -1.379 1.00 44.44 H new ATOM 1349 N THR A 82 -3.372 24.422 -4.431 1.00 5.14 N ATOM 1350 CA THR A 82 -3.311 22.970 -4.534 1.00 25.42 C ATOM 1351 C THR A 82 -2.175 22.531 -5.452 1.00 32.15 C ATOM 1352 O THR A 82 -2.217 22.759 -6.661 1.00 53.42 O ATOM 1353 CB THR A 82 -4.636 22.388 -5.061 1.00 63.22 C ATOM 1354 OG1 THR A 82 -4.464 21.007 -5.400 1.00 51.10 O ATOM 1355 CG2 THR A 82 -5.118 23.158 -6.281 1.00 3.40 C ATOM 0 H THR A 82 -3.828 24.882 -5.219 1.00 5.14 H new ATOM 0 HA THR A 82 -3.130 22.589 -3.529 1.00 25.42 H new ATOM 0 HB THR A 82 -5.385 22.478 -4.274 1.00 63.22 H new ATOM 0 HG1 THR A 82 -5.311 20.644 -5.733 1.00 51.10 H new ATOM 0 HG21 THR A 82 -6.055 22.729 -6.635 1.00 3.40 H new ATOM 0 HG22 THR A 82 -5.276 24.203 -6.013 1.00 3.40 H new ATOM 0 HG23 THR A 82 -4.369 23.095 -7.070 1.00 3.40 H new ATOM 1363 N LEU A 83 -1.161 21.899 -4.870 1.00 54.31 N ATOM 1364 CA LEU A 83 -0.013 21.427 -5.637 1.00 15.04 C ATOM 1365 C LEU A 83 -0.464 20.665 -6.879 1.00 13.22 C ATOM 1366 O LEU A 83 -0.915 19.522 -6.790 1.00 1.31 O ATOM 1367 CB LEU A 83 0.871 20.531 -4.768 1.00 20.01 C ATOM 1368 CG LEU A 83 2.377 20.640 -5.008 1.00 23.44 C ATOM 1369 CD1 LEU A 83 2.875 22.032 -4.653 1.00 2.13 C ATOM 1370 CD2 LEU A 83 3.123 19.584 -4.204 1.00 73.22 C ATOM 0 H LEU A 83 -1.111 21.702 -3.871 1.00 54.31 H new ATOM 0 HA LEU A 83 0.562 22.296 -5.956 1.00 15.04 H new ATOM 0 HB2 LEU A 83 0.672 20.763 -3.722 1.00 20.01 H new ATOM 0 HB3 LEU A 83 0.572 19.495 -4.927 1.00 20.01 H new ATOM 0 HG LEU A 83 2.570 20.466 -6.067 1.00 23.44 H new ATOM 0 HD11 LEU A 83 3.949 22.090 -4.830 1.00 2.13 H new ATOM 0 HD12 LEU A 83 2.364 22.770 -5.272 1.00 2.13 H new ATOM 0 HD13 LEU A 83 2.669 22.235 -3.602 1.00 2.13 H new ATOM 0 HD21 LEU A 83 4.194 19.676 -4.387 1.00 73.22 H new ATOM 0 HD22 LEU A 83 2.923 19.726 -3.142 1.00 73.22 H new ATOM 0 HD23 LEU A 83 2.787 18.592 -4.507 1.00 73.22 H new ATOM 1382 N LEU A 84 -0.338 21.304 -8.036 1.00 51.45 N ATOM 1383 CA LEU A 84 -0.730 20.686 -9.298 1.00 54.34 C ATOM 1384 C LEU A 84 0.436 19.923 -9.917 1.00 24.13 C ATOM 1385 O LEU A 84 1.164 20.455 -10.754 1.00 5.44 O ATOM 1386 CB LEU A 84 -1.234 21.750 -10.275 1.00 45.44 C ATOM 1387 CG LEU A 84 -2.389 22.622 -9.782 1.00 72.32 C ATOM 1388 CD1 LEU A 84 -2.883 23.533 -10.895 1.00 13.00 C ATOM 1389 CD2 LEU A 84 -3.524 21.755 -9.257 1.00 32.12 C ATOM 0 H LEU A 84 0.033 22.250 -8.127 1.00 51.45 H new ATOM 0 HA LEU A 84 -1.534 19.979 -9.093 1.00 54.34 H new ATOM 0 HB2 LEU A 84 -0.399 22.401 -10.534 1.00 45.44 H new ATOM 0 HB3 LEU A 84 -1.547 21.252 -11.193 1.00 45.44 H new ATOM 0 HG LEU A 84 -2.026 23.245 -8.965 1.00 72.32 H new ATOM 0 HD11 LEU A 84 -3.705 24.146 -10.526 1.00 13.00 H new ATOM 0 HD12 LEU A 84 -2.069 24.178 -11.225 1.00 13.00 H new ATOM 0 HD13 LEU A 84 -3.230 22.928 -11.733 1.00 13.00 H new ATOM 0 HD21 LEU A 84 -4.338 22.392 -8.910 1.00 32.12 H new ATOM 0 HD22 LEU A 84 -3.886 21.106 -10.055 1.00 32.12 H new ATOM 0 HD23 LEU A 84 -3.163 21.145 -8.429 1.00 32.12 H new ATOM 1401 N GLU A 85 0.606 18.672 -9.500 1.00 10.03 N ATOM 1402 CA GLU A 85 1.684 17.835 -10.014 1.00 53.44 C ATOM 1403 C GLU A 85 1.145 16.493 -10.502 1.00 43.40 C ATOM 1404 O GLU A 85 0.542 16.407 -11.571 1.00 15.43 O ATOM 1405 CB GLU A 85 2.744 17.610 -8.935 1.00 22.03 C ATOM 1406 CG GLU A 85 3.902 18.592 -9.004 1.00 14.12 C ATOM 1407 CD GLU A 85 5.250 17.901 -9.058 1.00 4.35 C ATOM 1408 OE1 GLU A 85 5.580 17.324 -10.114 1.00 45.35 O ATOM 1409 OE2 GLU A 85 5.976 17.938 -8.042 1.00 1.53 O ATOM 0 H GLU A 85 0.011 18.216 -8.808 1.00 10.03 H new ATOM 0 HA GLU A 85 2.140 18.352 -10.858 1.00 53.44 H new ATOM 0 HB2 GLU A 85 2.274 17.684 -7.955 1.00 22.03 H new ATOM 0 HB3 GLU A 85 3.133 16.596 -9.026 1.00 22.03 H new ATOM 0 HG2 GLU A 85 3.786 19.223 -9.885 1.00 14.12 H new ATOM 0 HG3 GLU A 85 3.869 19.249 -8.135 1.00 14.12 H new TER 1416 GLU A 85