USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1025 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 18 SER OG : rot 180:sc= -0.0642 USER MOD Set 1.2: A 83 TYR OH : rot 107:sc= 0.214 USER MOD Set 1.3: A 87 MET CE :methyl -111:sc= -1.48 (180deg=-3.03!) USER MOD Set 2.1: A 48 GLN : amide:sc= 0 X(o=-0.74,f=-0.74) USER MOD Set 2.2: A 50 TYR OH : rot 130:sc= -0.737 USER MOD Set 3.1: A 29 SER OG : rot 138:sc= 0.469 USER MOD Set 3.2: A 98 LYS NZ :NH3+ -160:sc= 0.481 (180deg=-0.187) USER MOD Set 4.1: A 1 MET N :NH3+ 177:sc= -0.334 (180deg=-0.172) USER MOD Set 4.2: A 2 GLN : amide:sc= -1.12 K(o=-1.8,f=-8.8!) USER MOD Set 4.3: A 74 LYS NZ :NH3+ 149:sc= -0.292 (180deg=-1.73!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -2.33 K(o=-2.3,f=-4.7!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.804 USER MOD Single : A 13 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.7!) USER MOD Single : A 21 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.29) USER MOD Single : A 27 THR OG1 : rot -84:sc= 0.192 USER MOD Single : A 37 LYS NZ :NH3+ -168:sc= -0.386 (180deg=-0.925) USER MOD Single : A 38 TYR OH : rot 30:sc= -1.79! USER MOD Single : A 39 ASN : amide:sc= -0.092 X(o=-0.092,f=-0.29) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.032 X(o=-0.032,f=-0.037) USER MOD Single : A 57 SER OG : rot 86:sc= 0.00247 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 51:sc= 0.0396 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -174:sc= -0.672 (180deg=-0.713) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 87:sc= 0.695 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 88 THR OG1 : rot 93:sc= 1.27 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.177 K(o=-0.18,f=-2.5) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.0865 X(o=-0.087,f=-0.012) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= 0.0646 X(o=0.065,f=0.24) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.089 0.201 -2.643 1.00 24.14 N ATOM 2 CA MET A 1 1.121 -1.257 -2.630 1.00 12.01 C ATOM 3 C MET A 1 0.676 -1.822 -3.975 1.00 33.10 C ATOM 4 O MET A 1 1.110 -2.900 -4.379 1.00 65.21 O ATOM 5 CB MET A 1 0.224 -1.798 -1.514 1.00 65.04 C ATOM 6 CG MET A 1 0.834 -2.968 -0.759 1.00 13.23 C ATOM 7 SD MET A 1 -0.165 -3.479 0.653 1.00 51.22 S ATOM 8 CE MET A 1 0.662 -2.612 1.984 1.00 14.42 C ATOM 0 H1 MET A 1 1.347 0.562 -1.702 1.00 24.14 H new ATOM 0 H2 MET A 1 1.766 0.557 -3.348 1.00 24.14 H new ATOM 0 H3 MET A 1 0.132 0.525 -2.888 1.00 24.14 H new ATOM 0 HA MET A 1 2.148 -1.572 -2.445 1.00 12.01 H new ATOM 0 HB2 MET A 1 0.009 -0.994 -0.810 1.00 65.04 H new ATOM 0 HB3 MET A 1 -0.728 -2.110 -1.943 1.00 65.04 H new ATOM 0 HG2 MET A 1 0.954 -3.812 -1.439 1.00 13.23 H new ATOM 0 HG3 MET A 1 1.831 -2.693 -0.414 1.00 13.23 H new ATOM 0 HE1 MET A 1 0.159 -2.828 2.927 1.00 14.42 H new ATOM 0 HE2 MET A 1 1.700 -2.940 2.043 1.00 14.42 H new ATOM 0 HE3 MET A 1 0.631 -1.539 1.794 1.00 14.42 H new ATOM 18 N GLN A 2 -0.193 -1.087 -4.662 1.00 62.53 N ATOM 19 CA GLN A 2 -0.697 -1.517 -5.961 1.00 63.43 C ATOM 20 C GLN A 2 0.383 -1.394 -7.032 1.00 34.22 C ATOM 21 O GLN A 2 0.416 -0.422 -7.786 1.00 3.51 O ATOM 22 CB GLN A 2 -1.921 -0.689 -6.357 1.00 24.44 C ATOM 23 CG GLN A 2 -2.906 -0.479 -5.219 1.00 12.14 C ATOM 24 CD GLN A 2 -2.708 0.848 -4.513 1.00 22.03 C ATOM 25 OE1 GLN A 2 -1.579 1.251 -4.230 1.00 13.14 O ATOM 26 NE2 GLN A 2 -3.807 1.536 -4.224 1.00 63.54 N ATOM 0 H GLN A 2 -0.562 -0.192 -4.341 1.00 62.53 H new ATOM 0 HA GLN A 2 -0.987 -2.565 -5.881 1.00 63.43 H new ATOM 0 HB2 GLN A 2 -1.589 0.282 -6.724 1.00 24.44 H new ATOM 0 HB3 GLN A 2 -2.432 -1.184 -7.183 1.00 24.44 H new ATOM 0 HG2 GLN A 2 -3.922 -0.530 -5.609 1.00 12.14 H new ATOM 0 HG3 GLN A 2 -2.800 -1.289 -4.498 1.00 12.14 H new ATOM 0 HE21 GLN A 2 -4.723 1.164 -4.477 1.00 63.54 H new ATOM 0 HE22 GLN A 2 -3.735 2.436 -3.749 1.00 63.54 H new ATOM 35 N LYS A 3 1.264 -2.386 -7.093 1.00 23.42 N ATOM 36 CA LYS A 3 2.345 -2.391 -8.071 1.00 43.22 C ATOM 37 C LYS A 3 2.367 -3.701 -8.852 1.00 50.11 C ATOM 38 O LYS A 3 2.586 -4.770 -8.284 1.00 42.11 O ATOM 39 CB LYS A 3 3.692 -2.177 -7.375 1.00 75.34 C ATOM 40 CG LYS A 3 3.692 -1.019 -6.393 1.00 54.54 C ATOM 41 CD LYS A 3 4.033 -1.480 -4.987 1.00 3.15 C ATOM 42 CE LYS A 3 4.945 -0.488 -4.281 1.00 1.03 C ATOM 43 NZ LYS A 3 5.206 -0.882 -2.868 1.00 52.15 N ATOM 0 H LYS A 3 1.251 -3.198 -6.476 1.00 23.42 H new ATOM 0 HA LYS A 3 2.171 -1.574 -8.771 1.00 43.22 H new ATOM 0 HB2 LYS A 3 3.968 -3.090 -6.847 1.00 75.34 H new ATOM 0 HB3 LYS A 3 4.458 -2.002 -8.130 1.00 75.34 H new ATOM 0 HG2 LYS A 3 4.413 -0.268 -6.715 1.00 54.54 H new ATOM 0 HG3 LYS A 3 2.712 -0.541 -6.393 1.00 54.54 H new ATOM 0 HD2 LYS A 3 3.116 -1.606 -4.412 1.00 3.15 H new ATOM 0 HD3 LYS A 3 4.518 -2.455 -5.030 1.00 3.15 H new ATOM 0 HE2 LYS A 3 5.890 -0.418 -4.819 1.00 1.03 H new ATOM 0 HE3 LYS A 3 4.491 0.503 -4.304 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 5.831 -0.181 -2.422 1.00 52.15 H new ATOM 0 HZ2 LYS A 3 4.307 -0.925 -2.348 1.00 52.15 H new ATOM 0 HZ3 LYS A 3 5.663 -1.816 -2.847 1.00 52.15 H new ATOM 57 N GLY A 4 2.139 -3.610 -10.159 1.00 43.30 N ATOM 58 CA GLY A 4 2.139 -4.795 -10.996 1.00 55.04 C ATOM 59 C GLY A 4 0.756 -5.139 -11.513 1.00 53.22 C ATOM 60 O GLY A 4 0.499 -6.276 -11.912 1.00 54.51 O ATOM 0 H GLY A 4 1.954 -2.737 -10.653 1.00 43.30 H new ATOM 0 HA2 GLY A 4 2.811 -4.640 -11.840 1.00 55.04 H new ATOM 0 HA3 GLY A 4 2.531 -5.638 -10.427 1.00 55.04 H new ATOM 64 N LEU A 5 -0.138 -4.156 -11.505 1.00 72.25 N ATOM 65 CA LEU A 5 -1.504 -4.360 -11.976 1.00 21.52 C ATOM 66 C LEU A 5 -2.135 -3.040 -12.406 1.00 31.15 C ATOM 67 O LEU A 5 -1.866 -1.993 -11.818 1.00 41.13 O ATOM 68 CB LEU A 5 -2.350 -5.010 -10.879 1.00 60.45 C ATOM 69 CG LEU A 5 -3.642 -5.686 -11.340 1.00 41.05 C ATOM 70 CD1 LEU A 5 -4.732 -4.651 -11.571 1.00 74.32 C ATOM 71 CD2 LEU A 5 -3.398 -6.497 -12.605 1.00 21.34 C ATOM 0 H LEU A 5 0.058 -3.210 -11.178 1.00 72.25 H new ATOM 0 HA LEU A 5 -1.469 -5.023 -12.841 1.00 21.52 H new ATOM 0 HB2 LEU A 5 -1.737 -5.753 -10.368 1.00 60.45 H new ATOM 0 HB3 LEU A 5 -2.605 -4.246 -10.144 1.00 60.45 H new ATOM 0 HG LEU A 5 -3.974 -6.365 -10.555 1.00 41.05 H new ATOM 0 HD11 LEU A 5 -5.644 -5.150 -11.899 1.00 74.32 H new ATOM 0 HD12 LEU A 5 -4.926 -4.113 -10.643 1.00 74.32 H new ATOM 0 HD13 LEU A 5 -4.408 -3.947 -12.337 1.00 74.32 H new ATOM 0 HD21 LEU A 5 -4.328 -6.971 -12.918 1.00 21.34 H new ATOM 0 HD22 LEU A 5 -3.042 -5.838 -13.397 1.00 21.34 H new ATOM 0 HD23 LEU A 5 -2.649 -7.264 -12.407 1.00 21.34 H new ATOM 83 N GLU A 6 -2.977 -3.099 -13.432 1.00 73.14 N ATOM 84 CA GLU A 6 -3.648 -1.907 -13.939 1.00 63.41 C ATOM 85 C GLU A 6 -5.046 -1.774 -13.342 1.00 5.14 C ATOM 86 O GLU A 6 -5.861 -2.692 -13.433 1.00 11.00 O ATOM 87 CB GLU A 6 -3.736 -1.955 -15.466 1.00 32.31 C ATOM 88 CG GLU A 6 -2.532 -2.606 -16.125 1.00 41.03 C ATOM 89 CD GLU A 6 -2.780 -4.057 -16.490 1.00 45.21 C ATOM 90 OE1 GLU A 6 -3.278 -4.312 -17.606 1.00 14.20 O ATOM 91 OE2 GLU A 6 -2.474 -4.937 -15.659 1.00 23.41 O ATOM 0 H GLU A 6 -3.211 -3.959 -13.929 1.00 73.14 H new ATOM 0 HA GLU A 6 -3.061 -1.037 -13.643 1.00 63.41 H new ATOM 0 HB2 GLU A 6 -4.635 -2.500 -15.753 1.00 32.31 H new ATOM 0 HB3 GLU A 6 -3.843 -0.940 -15.847 1.00 32.31 H new ATOM 0 HG2 GLU A 6 -2.269 -2.049 -17.024 1.00 41.03 H new ATOM 0 HG3 GLU A 6 -1.677 -2.546 -15.452 1.00 41.03 H new ATOM 98 N ILE A 7 -5.314 -0.625 -12.730 1.00 62.31 N ATOM 99 CA ILE A 7 -6.612 -0.371 -12.118 1.00 71.31 C ATOM 100 C ILE A 7 -7.196 0.953 -12.598 1.00 74.01 C ATOM 101 O ILE A 7 -6.465 1.908 -12.856 1.00 52.52 O ATOM 102 CB ILE A 7 -6.516 -0.350 -10.581 1.00 44.12 C ATOM 103 CG1 ILE A 7 -5.173 0.238 -10.141 1.00 32.31 C ATOM 104 CG2 ILE A 7 -6.696 -1.752 -10.020 1.00 21.34 C ATOM 105 CD1 ILE A 7 -4.079 -0.797 -9.998 1.00 2.43 C ATOM 0 H ILE A 7 -4.650 0.144 -12.645 1.00 62.31 H new ATOM 0 HA ILE A 7 -7.269 -1.186 -12.421 1.00 71.31 H new ATOM 0 HB ILE A 7 -7.314 0.281 -10.190 1.00 44.12 H new ATOM 0 HG12 ILE A 7 -4.859 0.989 -10.866 1.00 32.31 H new ATOM 0 HG13 ILE A 7 -5.304 0.750 -9.188 1.00 32.31 H new ATOM 0 HG21 ILE A 7 -6.626 -1.721 -8.933 1.00 21.34 H new ATOM 0 HG22 ILE A 7 -7.674 -2.137 -10.309 1.00 21.34 H new ATOM 0 HG23 ILE A 7 -5.918 -2.405 -10.415 1.00 21.34 H new ATOM 0 HD11 ILE A 7 -3.156 -0.310 -9.684 1.00 2.43 H new ATOM 0 HD12 ILE A 7 -4.372 -1.535 -9.252 1.00 2.43 H new ATOM 0 HD13 ILE A 7 -3.920 -1.293 -10.956 1.00 2.43 H new ATOM 117 N ALA A 8 -8.519 1.002 -12.714 1.00 15.44 N ATOM 118 CA ALA A 8 -9.203 2.211 -13.159 1.00 22.45 C ATOM 119 C ALA A 8 -10.129 2.749 -12.073 1.00 71.33 C ATOM 120 O ALA A 8 -10.724 1.983 -11.315 1.00 31.41 O ATOM 121 CB ALA A 8 -9.985 1.935 -14.434 1.00 52.10 C ATOM 0 H ALA A 8 -9.139 0.219 -12.506 1.00 15.44 H new ATOM 0 HA ALA A 8 -8.449 2.971 -13.366 1.00 22.45 H new ATOM 0 HB1 ALA A 8 -10.491 2.846 -14.755 1.00 52.10 H new ATOM 0 HB2 ALA A 8 -9.301 1.605 -15.216 1.00 52.10 H new ATOM 0 HB3 ALA A 8 -10.724 1.157 -14.246 1.00 52.10 H new ATOM 127 N PHE A 9 -10.246 4.071 -12.004 1.00 33.42 N ATOM 128 CA PHE A 9 -11.099 4.711 -11.010 1.00 13.34 C ATOM 129 C PHE A 9 -11.867 5.879 -11.623 1.00 22.12 C ATOM 130 O PHE A 9 -11.310 6.668 -12.386 1.00 73.41 O ATOM 131 CB PHE A 9 -10.261 5.202 -9.827 1.00 41.05 C ATOM 132 CG PHE A 9 -11.064 5.918 -8.779 1.00 62.13 C ATOM 133 CD1 PHE A 9 -12.025 5.244 -8.044 1.00 31.24 C ATOM 134 CD2 PHE A 9 -10.858 7.265 -8.530 1.00 44.21 C ATOM 135 CE1 PHE A 9 -12.766 5.900 -7.078 1.00 25.50 C ATOM 136 CE2 PHE A 9 -11.595 7.926 -7.566 1.00 4.05 C ATOM 137 CZ PHE A 9 -12.551 7.243 -6.839 1.00 65.35 C ATOM 0 H PHE A 9 -9.761 4.719 -12.624 1.00 33.42 H new ATOM 0 HA PHE A 9 -11.818 3.972 -10.655 1.00 13.34 H new ATOM 0 HB2 PHE A 9 -9.759 4.350 -9.369 1.00 41.05 H new ATOM 0 HB3 PHE A 9 -9.483 5.870 -10.196 1.00 41.05 H new ATOM 0 HD1 PHE A 9 -12.198 4.194 -8.227 1.00 31.24 H new ATOM 0 HD2 PHE A 9 -10.113 7.805 -9.096 1.00 44.21 H new ATOM 0 HE1 PHE A 9 -13.512 5.363 -6.511 1.00 25.50 H new ATOM 0 HE2 PHE A 9 -11.424 8.976 -7.381 1.00 4.05 H new ATOM 0 HZ PHE A 9 -13.129 7.758 -6.086 1.00 65.35 H new ATOM 147 N GLN A 10 -13.148 5.981 -11.283 1.00 23.11 N ATOM 148 CA GLN A 10 -13.992 7.051 -11.801 1.00 30.11 C ATOM 149 C GLN A 10 -14.513 7.930 -10.669 1.00 22.15 C ATOM 150 O GLN A 10 -14.527 7.522 -9.507 1.00 20.43 O ATOM 151 CB GLN A 10 -15.165 6.467 -12.590 1.00 32.22 C ATOM 152 CG GLN A 10 -16.051 5.543 -11.769 1.00 65.00 C ATOM 153 CD GLN A 10 -17.363 5.227 -12.459 1.00 41.20 C ATOM 154 OE1 GLN A 10 -17.426 4.360 -13.331 1.00 32.23 O ATOM 155 NE2 GLN A 10 -18.420 5.931 -12.072 1.00 11.32 N ATOM 0 H GLN A 10 -13.624 5.336 -10.652 1.00 23.11 H new ATOM 0 HA GLN A 10 -13.387 7.667 -12.466 1.00 30.11 H new ATOM 0 HB2 GLN A 10 -15.771 7.284 -12.982 1.00 32.22 H new ATOM 0 HB3 GLN A 10 -14.777 5.917 -13.448 1.00 32.22 H new ATOM 0 HG2 GLN A 10 -15.516 4.614 -11.571 1.00 65.00 H new ATOM 0 HG3 GLN A 10 -16.255 6.005 -10.803 1.00 65.00 H new ATOM 0 HE21 GLN A 10 -18.322 6.640 -11.345 1.00 11.32 H new ATOM 0 HE22 GLN A 10 -19.330 5.763 -12.501 1.00 11.32 H new ATOM 164 N THR A 11 -14.940 9.140 -11.014 1.00 53.42 N ATOM 165 CA THR A 11 -15.460 10.078 -10.027 1.00 54.01 C ATOM 166 C THR A 11 -16.393 11.096 -10.674 1.00 4.23 C ATOM 167 O THR A 11 -16.041 11.729 -11.670 1.00 23.21 O ATOM 168 CB THR A 11 -14.322 10.826 -9.308 1.00 22.42 C ATOM 169 OG1 THR A 11 -14.846 11.957 -8.605 1.00 14.43 O ATOM 170 CG2 THR A 11 -13.264 11.284 -10.300 1.00 50.32 C ATOM 0 H THR A 11 -14.936 9.494 -11.971 1.00 53.42 H new ATOM 0 HA THR A 11 -16.017 9.491 -9.297 1.00 54.01 H new ATOM 0 HB THR A 11 -13.859 10.141 -8.598 1.00 22.42 H new ATOM 0 HG1 THR A 11 -14.116 12.426 -8.149 1.00 14.43 H new ATOM 0 HG21 THR A 11 -12.471 11.810 -9.769 1.00 50.32 H new ATOM 0 HG22 THR A 11 -12.846 10.417 -10.812 1.00 50.32 H new ATOM 0 HG23 THR A 11 -13.717 11.954 -11.031 1.00 50.32 H new ATOM 178 N ILE A 12 -17.582 11.250 -10.101 1.00 44.10 N ATOM 179 CA ILE A 12 -18.563 12.194 -10.621 1.00 73.45 C ATOM 180 C ILE A 12 -19.120 13.077 -9.510 1.00 20.20 C ATOM 181 O ILE A 12 -19.335 14.273 -9.703 1.00 22.44 O ATOM 182 CB ILE A 12 -19.729 11.466 -11.317 1.00 14.43 C ATOM 183 CG1 ILE A 12 -19.198 10.355 -12.224 1.00 43.10 C ATOM 184 CG2 ILE A 12 -20.568 12.453 -12.115 1.00 14.33 C ATOM 185 CD1 ILE A 12 -19.161 8.997 -11.558 1.00 55.25 C ATOM 0 H ILE A 12 -17.889 10.733 -9.277 1.00 44.10 H new ATOM 0 HA ILE A 12 -18.046 12.817 -11.351 1.00 73.45 H new ATOM 0 HB ILE A 12 -20.362 11.014 -10.554 1.00 14.43 H new ATOM 0 HG12 ILE A 12 -19.822 10.296 -13.116 1.00 43.10 H new ATOM 0 HG13 ILE A 12 -18.193 10.616 -12.554 1.00 43.10 H new ATOM 0 HG21 ILE A 12 -21.388 11.924 -12.601 1.00 14.33 H new ATOM 0 HG22 ILE A 12 -20.972 13.212 -11.445 1.00 14.33 H new ATOM 0 HG23 ILE A 12 -19.946 12.931 -12.871 1.00 14.33 H new ATOM 0 HD11 ILE A 12 -18.774 8.258 -12.260 1.00 55.25 H new ATOM 0 HD12 ILE A 12 -18.514 9.039 -10.682 1.00 55.25 H new ATOM 0 HD13 ILE A 12 -20.168 8.714 -11.252 1.00 55.25 H new ATOM 197 N ASN A 13 -19.350 12.479 -8.346 1.00 22.35 N ATOM 198 CA ASN A 13 -19.880 13.211 -7.202 1.00 14.44 C ATOM 199 C ASN A 13 -19.055 14.465 -6.929 1.00 14.45 C ATOM 200 O ASN A 13 -19.565 15.455 -6.404 1.00 31.51 O ATOM 201 CB ASN A 13 -19.897 12.318 -5.960 1.00 24.41 C ATOM 202 CG ASN A 13 -21.003 12.692 -4.993 1.00 31.43 C ATOM 203 OD1 ASN A 13 -21.726 13.665 -5.206 1.00 35.41 O ATOM 204 ND2 ASN A 13 -21.139 11.918 -3.922 1.00 33.00 N ATOM 0 H ASN A 13 -19.178 11.489 -8.170 1.00 22.35 H new ATOM 0 HA ASN A 13 -20.901 13.513 -7.438 1.00 14.44 H new ATOM 0 HB2 ASN A 13 -20.021 11.279 -6.265 1.00 24.41 H new ATOM 0 HB3 ASN A 13 -18.935 12.389 -5.452 1.00 24.41 H new ATOM 0 HD21 ASN A 13 -21.866 12.120 -3.236 1.00 33.00 H new ATOM 0 HD22 ASN A 13 -20.517 11.121 -3.786 1.00 33.00 H new ATOM 211 N GLY A 14 -17.777 14.416 -7.289 1.00 45.23 N ATOM 212 CA GLY A 14 -16.901 15.554 -7.076 1.00 33.10 C ATOM 213 C GLY A 14 -16.159 15.475 -5.756 1.00 54.35 C ATOM 214 O GLY A 14 -15.099 16.080 -5.595 1.00 4.21 O ATOM 0 H GLY A 14 -17.332 13.608 -7.725 1.00 45.23 H new ATOM 0 HA2 GLY A 14 -16.180 15.612 -7.892 1.00 33.10 H new ATOM 0 HA3 GLY A 14 -17.489 16.472 -7.105 1.00 33.10 H new ATOM 218 N LEU A 15 -16.718 14.730 -4.809 1.00 63.33 N ATOM 219 CA LEU A 15 -16.103 14.575 -3.495 1.00 41.24 C ATOM 220 C LEU A 15 -14.908 13.629 -3.561 1.00 53.01 C ATOM 221 O LEU A 15 -14.184 13.459 -2.580 1.00 44.35 O ATOM 222 CB LEU A 15 -17.129 14.051 -2.489 1.00 63.21 C ATOM 223 CG LEU A 15 -16.866 14.394 -1.022 1.00 60.23 C ATOM 224 CD1 LEU A 15 -16.815 15.901 -0.828 1.00 1.25 C ATOM 225 CD2 LEU A 15 -17.932 13.775 -0.131 1.00 34.24 C ATOM 0 H LEU A 15 -17.596 14.224 -4.926 1.00 63.33 H new ATOM 0 HA LEU A 15 -15.750 15.553 -3.168 1.00 41.24 H new ATOM 0 HB2 LEU A 15 -18.109 14.442 -2.763 1.00 63.21 H new ATOM 0 HB3 LEU A 15 -17.180 12.966 -2.584 1.00 63.21 H new ATOM 0 HG LEU A 15 -15.899 13.979 -0.739 1.00 60.23 H new ATOM 0 HD11 LEU A 15 -16.627 16.127 0.222 1.00 1.25 H new ATOM 0 HD12 LEU A 15 -16.015 16.319 -1.438 1.00 1.25 H new ATOM 0 HD13 LEU A 15 -17.767 16.339 -1.128 1.00 1.25 H new ATOM 0 HD21 LEU A 15 -17.729 14.029 0.909 1.00 34.24 H new ATOM 0 HD22 LEU A 15 -18.912 14.160 -0.414 1.00 34.24 H new ATOM 0 HD23 LEU A 15 -17.920 12.691 -0.249 1.00 34.24 H new ATOM 237 N ASP A 16 -14.708 13.017 -4.723 1.00 51.21 N ATOM 238 CA ASP A 16 -13.599 12.091 -4.918 1.00 72.52 C ATOM 239 C ASP A 16 -12.382 12.812 -5.489 1.00 31.14 C ATOM 240 O ASP A 16 -11.310 12.224 -5.628 1.00 1.53 O ATOM 241 CB ASP A 16 -14.016 10.952 -5.851 1.00 30.04 C ATOM 242 CG ASP A 16 -14.366 9.685 -5.096 1.00 71.51 C ATOM 243 OD1 ASP A 16 -13.686 9.384 -4.092 1.00 54.31 O ATOM 244 OD2 ASP A 16 -15.320 8.993 -5.509 1.00 13.20 O ATOM 0 H ASP A 16 -15.299 13.146 -5.544 1.00 51.21 H new ATOM 0 HA ASP A 16 -13.330 11.676 -3.947 1.00 72.52 H new ATOM 0 HB2 ASP A 16 -14.875 11.267 -6.444 1.00 30.04 H new ATOM 0 HB3 ASP A 16 -13.206 10.743 -6.550 1.00 30.04 H new ATOM 249 N GLU A 17 -12.557 14.088 -5.818 1.00 32.02 N ATOM 250 CA GLU A 17 -11.473 14.888 -6.375 1.00 40.20 C ATOM 251 C GLU A 17 -10.209 14.755 -5.530 1.00 40.15 C ATOM 252 O GLU A 17 -9.113 14.570 -6.059 1.00 41.03 O ATOM 253 CB GLU A 17 -11.888 16.358 -6.464 1.00 2.33 C ATOM 254 CG GLU A 17 -12.371 16.935 -5.144 1.00 1.15 C ATOM 255 CD GLU A 17 -13.210 18.185 -5.325 1.00 41.02 C ATOM 256 OE1 GLU A 17 -13.706 18.408 -6.450 1.00 22.33 O ATOM 257 OE2 GLU A 17 -13.370 18.940 -4.344 1.00 14.40 O ATOM 0 H GLU A 17 -13.438 14.589 -5.708 1.00 32.02 H new ATOM 0 HA GLU A 17 -11.260 14.517 -7.377 1.00 40.20 H new ATOM 0 HB2 GLU A 17 -11.041 16.945 -6.819 1.00 2.33 H new ATOM 0 HB3 GLU A 17 -12.680 16.459 -7.206 1.00 2.33 H new ATOM 0 HG2 GLU A 17 -12.956 16.183 -4.616 1.00 1.15 H new ATOM 0 HG3 GLU A 17 -11.510 17.167 -4.517 1.00 1.15 H new ATOM 264 N SER A 18 -10.371 14.851 -4.215 1.00 4.33 N ATOM 265 CA SER A 18 -9.243 14.746 -3.296 1.00 41.32 C ATOM 266 C SER A 18 -8.545 13.398 -3.445 1.00 21.20 C ATOM 267 O SER A 18 -7.317 13.314 -3.408 1.00 24.31 O ATOM 268 CB SER A 18 -9.714 14.933 -1.853 1.00 34.22 C ATOM 269 OG SER A 18 -9.754 16.305 -1.503 1.00 11.43 O ATOM 0 H SER A 18 -11.272 15.001 -3.761 1.00 4.33 H new ATOM 0 HA SER A 18 -8.531 15.533 -3.542 1.00 41.32 H new ATOM 0 HB2 SER A 18 -10.704 14.494 -1.731 1.00 34.22 H new ATOM 0 HB3 SER A 18 -9.044 14.401 -1.177 1.00 34.22 H new ATOM 0 HG SER A 18 -10.060 16.397 -0.577 1.00 11.43 H new ATOM 275 N LEU A 19 -9.337 12.345 -3.613 1.00 62.53 N ATOM 276 CA LEU A 19 -8.797 10.998 -3.768 1.00 4.21 C ATOM 277 C LEU A 19 -7.983 10.882 -5.053 1.00 4.33 C ATOM 278 O LEU A 19 -6.933 10.240 -5.079 1.00 60.42 O ATOM 279 CB LEU A 19 -9.930 9.970 -3.774 1.00 44.51 C ATOM 280 CG LEU A 19 -9.600 8.605 -3.171 1.00 31.33 C ATOM 281 CD1 LEU A 19 -10.561 7.546 -3.690 1.00 3.03 C ATOM 282 CD2 LEU A 19 -8.161 8.219 -3.479 1.00 22.41 C ATOM 0 H LEU A 19 -10.355 12.397 -3.645 1.00 62.53 H new ATOM 0 HA LEU A 19 -8.138 10.798 -2.923 1.00 4.21 H new ATOM 0 HB2 LEU A 19 -10.777 10.389 -3.231 1.00 44.51 H new ATOM 0 HB3 LEU A 19 -10.253 9.821 -4.804 1.00 44.51 H new ATOM 0 HG LEU A 19 -9.713 8.670 -2.089 1.00 31.33 H new ATOM 0 HD11 LEU A 19 -10.311 6.581 -3.250 1.00 3.03 H new ATOM 0 HD12 LEU A 19 -11.581 7.816 -3.417 1.00 3.03 H new ATOM 0 HD13 LEU A 19 -10.480 7.482 -4.775 1.00 3.03 H new ATOM 0 HD21 LEU A 19 -7.944 7.244 -3.042 1.00 22.41 H new ATOM 0 HD22 LEU A 19 -8.020 8.172 -4.559 1.00 22.41 H new ATOM 0 HD23 LEU A 19 -7.486 8.964 -3.057 1.00 22.41 H new ATOM 294 N VAL A 20 -8.473 11.511 -6.117 1.00 21.34 N ATOM 295 CA VAL A 20 -7.790 11.481 -7.404 1.00 44.12 C ATOM 296 C VAL A 20 -6.434 12.175 -7.323 1.00 74.12 C ATOM 297 O VAL A 20 -5.414 11.613 -7.721 1.00 55.14 O ATOM 298 CB VAL A 20 -8.634 12.154 -8.503 1.00 65.21 C ATOM 299 CG1 VAL A 20 -8.015 11.916 -9.872 1.00 50.22 C ATOM 300 CG2 VAL A 20 -10.066 11.645 -8.461 1.00 33.45 C ATOM 0 H VAL A 20 -9.341 12.047 -6.112 1.00 21.34 H new ATOM 0 HA VAL A 20 -7.643 10.432 -7.660 1.00 44.12 H new ATOM 0 HB VAL A 20 -8.649 13.228 -8.319 1.00 65.21 H new ATOM 0 HG11 VAL A 20 -8.625 12.399 -10.636 1.00 50.22 H new ATOM 0 HG12 VAL A 20 -7.008 12.334 -9.894 1.00 50.22 H new ATOM 0 HG13 VAL A 20 -7.968 10.845 -10.069 1.00 50.22 H new ATOM 0 HG21 VAL A 20 -10.648 12.131 -9.244 1.00 33.45 H new ATOM 0 HG22 VAL A 20 -10.074 10.567 -8.619 1.00 33.45 H new ATOM 0 HG23 VAL A 20 -10.504 11.872 -7.489 1.00 33.45 H new ATOM 310 N GLN A 21 -6.432 13.399 -6.805 1.00 33.44 N ATOM 311 CA GLN A 21 -5.202 14.169 -6.672 1.00 3.33 C ATOM 312 C GLN A 21 -4.274 13.540 -5.637 1.00 73.13 C ATOM 313 O GLN A 21 -3.053 13.563 -5.789 1.00 33.32 O ATOM 314 CB GLN A 21 -5.519 15.613 -6.278 1.00 71.01 C ATOM 315 CG GLN A 21 -6.117 16.434 -7.409 1.00 14.32 C ATOM 316 CD GLN A 21 -5.145 16.650 -8.552 1.00 21.44 C ATOM 317 OE1 GLN A 21 -3.987 17.010 -8.337 1.00 71.02 O ATOM 318 NE2 GLN A 21 -5.611 16.429 -9.775 1.00 41.23 N ATOM 0 H GLN A 21 -7.268 13.878 -6.471 1.00 33.44 H new ATOM 0 HA GLN A 21 -4.696 14.165 -7.637 1.00 3.33 H new ATOM 0 HB2 GLN A 21 -6.213 15.608 -5.438 1.00 71.01 H new ATOM 0 HB3 GLN A 21 -4.605 16.096 -5.933 1.00 71.01 H new ATOM 0 HG2 GLN A 21 -7.008 15.932 -7.785 1.00 14.32 H new ATOM 0 HG3 GLN A 21 -6.436 17.401 -7.021 1.00 14.32 H new ATOM 0 HE21 GLN A 21 -6.578 16.132 -9.906 1.00 41.23 H new ATOM 0 HE22 GLN A 21 -5.002 16.556 -10.583 1.00 41.23 H new ATOM 327 N ALA A 22 -4.863 12.979 -4.586 1.00 23.01 N ATOM 328 CA ALA A 22 -4.089 12.342 -3.527 1.00 72.04 C ATOM 329 C ALA A 22 -3.461 11.040 -4.014 1.00 0.43 C ATOM 330 O ALA A 22 -2.254 10.834 -3.880 1.00 60.24 O ATOM 331 CB ALA A 22 -4.969 12.084 -2.313 1.00 1.20 C ATOM 0 H ALA A 22 -5.873 12.953 -4.445 1.00 23.01 H new ATOM 0 HA ALA A 22 -3.284 13.019 -3.241 1.00 72.04 H new ATOM 0 HB1 ALA A 22 -4.378 11.608 -1.530 1.00 1.20 H new ATOM 0 HB2 ALA A 22 -5.366 13.030 -1.944 1.00 1.20 H new ATOM 0 HB3 ALA A 22 -5.794 11.429 -2.594 1.00 1.20 H new ATOM 337 N LEU A 23 -4.286 10.165 -4.577 1.00 52.11 N ATOM 338 CA LEU A 23 -3.811 8.882 -5.083 1.00 72.12 C ATOM 339 C LEU A 23 -2.781 9.081 -6.191 1.00 35.23 C ATOM 340 O LEU A 23 -1.828 8.312 -6.311 1.00 0.24 O ATOM 341 CB LEU A 23 -4.985 8.051 -5.606 1.00 2.45 C ATOM 342 CG LEU A 23 -5.408 8.322 -7.050 1.00 34.23 C ATOM 343 CD1 LEU A 23 -4.569 7.500 -8.015 1.00 60.50 C ATOM 344 CD2 LEU A 23 -6.888 8.021 -7.237 1.00 32.42 C ATOM 0 H LEU A 23 -5.287 10.320 -4.695 1.00 52.11 H new ATOM 0 HA LEU A 23 -3.334 8.349 -4.260 1.00 72.12 H new ATOM 0 HB2 LEU A 23 -4.726 6.996 -5.516 1.00 2.45 H new ATOM 0 HB3 LEU A 23 -5.844 8.225 -4.958 1.00 2.45 H new ATOM 0 HG LEU A 23 -5.242 9.378 -7.265 1.00 34.23 H new ATOM 0 HD11 LEU A 23 -4.884 7.706 -9.038 1.00 60.50 H new ATOM 0 HD12 LEU A 23 -3.518 7.764 -7.899 1.00 60.50 H new ATOM 0 HD13 LEU A 23 -4.702 6.440 -7.801 1.00 60.50 H new ATOM 0 HD21 LEU A 23 -7.172 8.219 -8.271 1.00 32.42 H new ATOM 0 HD22 LEU A 23 -7.079 6.974 -7.003 1.00 32.42 H new ATOM 0 HD23 LEU A 23 -7.475 8.654 -6.572 1.00 32.42 H new ATOM 356 N ALA A 24 -2.980 10.119 -6.997 1.00 20.32 N ATOM 357 CA ALA A 24 -2.067 10.421 -8.092 1.00 4.34 C ATOM 358 C ALA A 24 -0.698 10.840 -7.565 1.00 12.50 C ATOM 359 O ALA A 24 0.334 10.424 -8.089 1.00 72.40 O ATOM 360 CB ALA A 24 -2.649 11.511 -8.979 1.00 52.31 C ATOM 0 H ALA A 24 -3.765 10.764 -6.912 1.00 20.32 H new ATOM 0 HA ALA A 24 -1.938 9.516 -8.685 1.00 4.34 H new ATOM 0 HB1 ALA A 24 -1.956 11.726 -9.793 1.00 52.31 H new ATOM 0 HB2 ALA A 24 -3.600 11.175 -9.392 1.00 52.31 H new ATOM 0 HB3 ALA A 24 -2.808 12.414 -8.389 1.00 52.31 H new ATOM 366 N GLY A 25 -0.698 11.669 -6.525 1.00 24.01 N ATOM 367 CA GLY A 25 0.550 12.131 -5.946 1.00 0.34 C ATOM 368 C GLY A 25 1.326 11.016 -5.273 1.00 74.13 C ATOM 369 O GLY A 25 2.527 10.864 -5.495 1.00 1.44 O ATOM 0 H GLY A 25 -1.539 12.028 -6.074 1.00 24.01 H new ATOM 0 HA2 GLY A 25 1.166 12.578 -6.727 1.00 0.34 H new ATOM 0 HA3 GLY A 25 0.341 12.915 -5.218 1.00 0.34 H new ATOM 373 N VAL A 26 0.638 10.233 -4.448 1.00 70.10 N ATOM 374 CA VAL A 26 1.270 9.126 -3.740 1.00 71.24 C ATOM 375 C VAL A 26 1.810 8.087 -4.716 1.00 70.44 C ATOM 376 O VAL A 26 2.881 7.517 -4.505 1.00 62.12 O ATOM 377 CB VAL A 26 0.285 8.443 -2.773 1.00 71.43 C ATOM 378 CG1 VAL A 26 -0.929 7.921 -3.527 1.00 64.42 C ATOM 379 CG2 VAL A 26 0.976 7.319 -2.015 1.00 51.04 C ATOM 0 H VAL A 26 -0.357 10.345 -4.254 1.00 70.10 H new ATOM 0 HA VAL A 26 2.097 9.547 -3.167 1.00 71.24 H new ATOM 0 HB VAL A 26 -0.058 9.182 -2.049 1.00 71.43 H new ATOM 0 HG11 VAL A 26 -1.614 7.442 -2.827 1.00 64.42 H new ATOM 0 HG12 VAL A 26 -1.436 8.751 -4.020 1.00 64.42 H new ATOM 0 HG13 VAL A 26 -0.609 7.196 -4.275 1.00 64.42 H new ATOM 0 HG21 VAL A 26 0.265 6.847 -1.336 1.00 51.04 H new ATOM 0 HG22 VAL A 26 1.348 6.578 -2.723 1.00 51.04 H new ATOM 0 HG23 VAL A 26 1.810 7.725 -1.442 1.00 51.04 H new ATOM 389 N THR A 27 1.061 7.844 -5.788 1.00 24.51 N ATOM 390 CA THR A 27 1.464 6.872 -6.797 1.00 50.43 C ATOM 391 C THR A 27 2.729 7.322 -7.520 1.00 12.24 C ATOM 392 O THR A 27 3.711 6.584 -7.589 1.00 1.22 O ATOM 393 CB THR A 27 0.348 6.644 -7.834 1.00 51.21 C ATOM 394 OG1 THR A 27 -0.183 7.902 -8.267 1.00 33.42 O ATOM 395 CG2 THR A 27 -0.768 5.791 -7.250 1.00 24.15 C ATOM 0 H THR A 27 0.172 8.307 -5.979 1.00 24.51 H new ATOM 0 HA THR A 27 1.661 5.936 -6.274 1.00 50.43 H new ATOM 0 HB THR A 27 0.777 6.118 -8.687 1.00 51.21 H new ATOM 0 HG1 THR A 27 -0.871 8.201 -7.636 1.00 33.42 H new ATOM 0 HG21 THR A 27 -1.544 5.644 -8.001 1.00 24.15 H new ATOM 0 HG22 THR A 27 -0.367 4.823 -6.948 1.00 24.15 H new ATOM 0 HG23 THR A 27 -1.194 6.294 -6.382 1.00 24.15 H new ATOM 403 N ALA A 28 2.698 8.538 -8.056 1.00 32.13 N ATOM 404 CA ALA A 28 3.843 9.087 -8.771 1.00 23.14 C ATOM 405 C ALA A 28 5.078 9.133 -7.876 1.00 73.04 C ATOM 406 O ALA A 28 6.191 8.858 -8.324 1.00 72.12 O ATOM 407 CB ALA A 28 3.519 10.477 -9.298 1.00 63.34 C ATOM 0 H ALA A 28 1.892 9.161 -8.008 1.00 32.13 H new ATOM 0 HA ALA A 28 4.062 8.432 -9.615 1.00 23.14 H new ATOM 0 HB1 ALA A 28 4.383 10.875 -9.830 1.00 63.34 H new ATOM 0 HB2 ALA A 28 2.669 10.419 -9.978 1.00 63.34 H new ATOM 0 HB3 ALA A 28 3.272 11.134 -8.464 1.00 63.34 H new ATOM 413 N SER A 29 4.873 9.483 -6.611 1.00 1.14 N ATOM 414 CA SER A 29 5.971 9.570 -5.654 1.00 73.45 C ATOM 415 C SER A 29 6.433 8.179 -5.231 1.00 64.23 C ATOM 416 O SER A 29 7.611 7.966 -4.941 1.00 33.14 O ATOM 417 CB SER A 29 5.542 10.373 -4.425 1.00 70.10 C ATOM 418 OG SER A 29 5.802 11.755 -4.603 1.00 35.43 O ATOM 0 H SER A 29 3.957 9.711 -6.224 1.00 1.14 H new ATOM 0 HA SER A 29 6.804 10.079 -6.139 1.00 73.45 H new ATOM 0 HB2 SER A 29 4.479 10.221 -4.240 1.00 70.10 H new ATOM 0 HB3 SER A 29 6.074 10.010 -3.546 1.00 70.10 H new ATOM 0 HG SER A 29 5.043 12.276 -4.268 1.00 35.43 H new ATOM 424 N ASP A 30 5.499 7.236 -5.199 1.00 75.42 N ATOM 425 CA ASP A 30 5.809 5.864 -4.813 1.00 11.12 C ATOM 426 C ASP A 30 6.458 5.108 -5.968 1.00 5.04 C ATOM 427 O ASP A 30 7.082 4.065 -5.768 1.00 2.41 O ATOM 428 CB ASP A 30 4.540 5.139 -4.362 1.00 11.12 C ATOM 429 CG ASP A 30 4.157 5.477 -2.934 1.00 74.44 C ATOM 430 OD1 ASP A 30 4.827 6.339 -2.329 1.00 32.44 O ATOM 431 OD2 ASP A 30 3.187 4.878 -2.423 1.00 0.13 O ATOM 0 H ASP A 30 4.520 7.396 -5.436 1.00 75.42 H new ATOM 0 HA ASP A 30 6.514 5.897 -3.982 1.00 11.12 H new ATOM 0 HB2 ASP A 30 3.718 5.403 -5.028 1.00 11.12 H new ATOM 0 HB3 ASP A 30 4.689 4.063 -4.450 1.00 11.12 H new ATOM 436 N PHE A 31 6.307 5.640 -7.176 1.00 20.20 N ATOM 437 CA PHE A 31 6.877 5.014 -8.363 1.00 40.25 C ATOM 438 C PHE A 31 7.975 5.887 -8.964 1.00 41.11 C ATOM 439 O PHE A 31 7.812 6.493 -10.023 1.00 53.13 O ATOM 440 CB PHE A 31 5.786 4.759 -9.405 1.00 53.11 C ATOM 441 CG PHE A 31 5.035 3.477 -9.185 1.00 63.44 C ATOM 442 CD1 PHE A 31 5.572 2.266 -9.592 1.00 63.13 C ATOM 443 CD2 PHE A 31 3.793 3.482 -8.573 1.00 33.05 C ATOM 444 CE1 PHE A 31 4.885 1.084 -9.391 1.00 73.13 C ATOM 445 CE2 PHE A 31 3.101 2.303 -8.369 1.00 14.25 C ATOM 446 CZ PHE A 31 3.647 1.103 -8.779 1.00 73.25 C ATOM 0 H PHE A 31 5.795 6.503 -7.359 1.00 20.20 H new ATOM 0 HA PHE A 31 7.316 4.062 -8.066 1.00 40.25 H new ATOM 0 HB2 PHE A 31 5.081 5.590 -9.392 1.00 53.11 H new ATOM 0 HB3 PHE A 31 6.239 4.740 -10.396 1.00 53.11 H new ATOM 0 HD1 PHE A 31 6.539 2.246 -10.072 1.00 63.13 H new ATOM 0 HD2 PHE A 31 3.360 4.418 -8.251 1.00 33.05 H new ATOM 0 HE1 PHE A 31 5.315 0.147 -9.712 1.00 73.13 H new ATOM 0 HE2 PHE A 31 2.134 2.320 -7.889 1.00 14.25 H new ATOM 0 HZ PHE A 31 3.107 0.181 -8.621 1.00 73.25 H new ATOM 456 N PRO A 32 9.122 5.954 -8.272 1.00 10.11 N ATOM 457 CA PRO A 32 10.270 6.750 -8.717 1.00 71.40 C ATOM 458 C PRO A 32 10.938 6.162 -9.955 1.00 74.44 C ATOM 459 O PRO A 32 11.692 6.844 -10.649 1.00 22.04 O ATOM 460 CB PRO A 32 11.223 6.698 -7.520 1.00 72.22 C ATOM 461 CG PRO A 32 10.866 5.440 -6.806 1.00 64.34 C ATOM 462 CD PRO A 32 9.387 5.258 -7.002 1.00 34.24 C ATOM 0 HA PRO A 32 9.979 7.760 -9.004 1.00 71.40 H new ATOM 0 HB2 PRO A 32 12.264 6.688 -7.843 1.00 72.22 H new ATOM 0 HB3 PRO A 32 11.097 7.568 -6.876 1.00 72.22 H new ATOM 0 HG2 PRO A 32 11.420 4.592 -7.209 1.00 64.34 H new ATOM 0 HG3 PRO A 32 11.114 5.509 -5.747 1.00 64.34 H new ATOM 0 HD2 PRO A 32 9.116 4.204 -7.058 1.00 34.24 H new ATOM 0 HD3 PRO A 32 8.817 5.691 -6.180 1.00 34.24 H new ATOM 470 N ASP A 33 10.655 4.893 -10.228 1.00 32.52 N ATOM 471 CA ASP A 33 11.227 4.213 -11.384 1.00 60.13 C ATOM 472 C ASP A 33 10.714 4.826 -12.684 1.00 30.24 C ATOM 473 O ASP A 33 11.252 4.565 -13.761 1.00 32.24 O ATOM 474 CB ASP A 33 10.893 2.721 -11.343 1.00 31.02 C ATOM 475 CG ASP A 33 11.590 2.003 -10.204 1.00 11.01 C ATOM 476 OD1 ASP A 33 12.832 2.098 -10.114 1.00 0.23 O ATOM 477 OD2 ASP A 33 10.893 1.347 -9.402 1.00 61.31 O ATOM 0 H ASP A 33 10.033 4.314 -9.664 1.00 32.52 H new ATOM 0 HA ASP A 33 12.309 4.336 -11.347 1.00 60.13 H new ATOM 0 HB2 ASP A 33 9.815 2.596 -11.242 1.00 31.02 H new ATOM 0 HB3 ASP A 33 11.180 2.261 -12.289 1.00 31.02 H new ATOM 482 N LEU A 34 9.670 5.641 -12.576 1.00 25.24 N ATOM 483 CA LEU A 34 9.083 6.291 -13.742 1.00 62.32 C ATOM 484 C LEU A 34 8.457 5.264 -14.680 1.00 32.40 C ATOM 485 O LEU A 34 8.144 5.569 -15.831 1.00 34.22 O ATOM 486 CB LEU A 34 10.146 7.099 -14.489 1.00 72.21 C ATOM 487 CG LEU A 34 9.956 8.616 -14.491 1.00 43.24 C ATOM 488 CD1 LEU A 34 10.994 9.285 -13.603 1.00 14.00 C ATOM 489 CD2 LEU A 34 10.035 9.161 -15.910 1.00 2.30 C ATOM 0 H LEU A 34 9.213 5.867 -11.693 1.00 25.24 H new ATOM 0 HA LEU A 34 8.300 6.965 -13.396 1.00 62.32 H new ATOM 0 HB2 LEU A 34 11.119 6.875 -14.051 1.00 72.21 H new ATOM 0 HB3 LEU A 34 10.175 6.755 -15.523 1.00 72.21 H new ATOM 0 HG LEU A 34 8.967 8.840 -14.091 1.00 43.24 H new ATOM 0 HD11 LEU A 34 10.843 10.364 -13.617 1.00 14.00 H new ATOM 0 HD12 LEU A 34 10.891 8.917 -12.582 1.00 14.00 H new ATOM 0 HD13 LEU A 34 11.993 9.053 -13.973 1.00 14.00 H new ATOM 0 HD21 LEU A 34 9.898 10.242 -15.893 1.00 2.30 H new ATOM 0 HD22 LEU A 34 11.010 8.926 -16.336 1.00 2.30 H new ATOM 0 HD23 LEU A 34 9.254 8.706 -16.519 1.00 2.30 H new ATOM 501 N ASP A 35 8.275 4.047 -14.179 1.00 62.44 N ATOM 502 CA ASP A 35 7.683 2.975 -14.971 1.00 72.22 C ATOM 503 C ASP A 35 6.166 2.952 -14.807 1.00 43.52 C ATOM 504 O ASP A 35 5.476 2.148 -15.434 1.00 43.02 O ATOM 505 CB ASP A 35 8.272 1.624 -14.562 1.00 44.04 C ATOM 506 CG ASP A 35 8.285 1.429 -13.059 1.00 0.00 C ATOM 507 OD1 ASP A 35 7.508 2.117 -12.365 1.00 54.14 O ATOM 508 OD2 ASP A 35 9.073 0.589 -12.576 1.00 20.11 O ATOM 0 H ASP A 35 8.529 3.778 -13.228 1.00 62.44 H new ATOM 0 HA ASP A 35 7.915 3.162 -16.020 1.00 72.22 H new ATOM 0 HB2 ASP A 35 7.694 0.824 -15.024 1.00 44.04 H new ATOM 0 HB3 ASP A 35 9.289 1.544 -14.945 1.00 44.04 H new ATOM 513 N ILE A 36 5.655 3.839 -13.960 1.00 51.43 N ATOM 514 CA ILE A 36 4.221 3.921 -13.714 1.00 75.03 C ATOM 515 C ILE A 36 3.500 4.591 -14.880 1.00 21.44 C ATOM 516 O ILE A 36 3.882 5.675 -15.320 1.00 64.22 O ATOM 517 CB ILE A 36 3.915 4.699 -12.421 1.00 15.11 C ATOM 518 CG1 ILE A 36 2.403 4.829 -12.224 1.00 12.14 C ATOM 519 CG2 ILE A 36 4.569 6.072 -12.461 1.00 71.04 C ATOM 520 CD1 ILE A 36 2.020 5.636 -11.003 1.00 30.14 C ATOM 0 H ILE A 36 6.213 4.511 -13.433 1.00 51.43 H new ATOM 0 HA ILE A 36 3.861 2.898 -13.607 1.00 75.03 H new ATOM 0 HB ILE A 36 4.327 4.147 -11.576 1.00 15.11 H new ATOM 0 HG12 ILE A 36 1.968 5.295 -13.108 1.00 12.14 H new ATOM 0 HG13 ILE A 36 1.968 3.833 -12.142 1.00 12.14 H new ATOM 0 HG21 ILE A 36 4.343 6.609 -11.540 1.00 71.04 H new ATOM 0 HG22 ILE A 36 5.649 5.958 -12.559 1.00 71.04 H new ATOM 0 HG23 ILE A 36 4.184 6.634 -13.312 1.00 71.04 H new ATOM 0 HD11 ILE A 36 0.934 5.687 -10.926 1.00 30.14 H new ATOM 0 HD12 ILE A 36 2.425 5.160 -10.110 1.00 30.14 H new ATOM 0 HD13 ILE A 36 2.425 6.644 -11.092 1.00 30.14 H new ATOM 532 N LYS A 37 2.454 3.938 -15.374 1.00 55.33 N ATOM 533 CA LYS A 37 1.676 4.471 -16.487 1.00 33.42 C ATOM 534 C LYS A 37 0.281 4.882 -16.028 1.00 35.13 C ATOM 535 O LYS A 37 -0.697 4.174 -16.271 1.00 53.42 O ATOM 536 CB LYS A 37 1.570 3.432 -17.606 1.00 24.45 C ATOM 537 CG LYS A 37 2.753 3.442 -18.559 1.00 53.50 C ATOM 538 CD LYS A 37 4.006 2.890 -17.900 1.00 54.11 C ATOM 539 CE LYS A 37 5.096 3.946 -17.803 1.00 11.22 C ATOM 540 NZ LYS A 37 6.447 3.373 -18.052 1.00 64.40 N ATOM 0 H LYS A 37 2.125 3.039 -15.022 1.00 55.33 H new ATOM 0 HA LYS A 37 2.190 5.354 -16.867 1.00 33.42 H new ATOM 0 HB2 LYS A 37 1.480 2.440 -17.162 1.00 24.45 H new ATOM 0 HB3 LYS A 37 0.656 3.612 -18.172 1.00 24.45 H new ATOM 0 HG2 LYS A 37 2.515 2.850 -19.442 1.00 53.50 H new ATOM 0 HG3 LYS A 37 2.939 4.461 -18.899 1.00 53.50 H new ATOM 0 HD2 LYS A 37 3.763 2.524 -16.903 1.00 54.11 H new ATOM 0 HD3 LYS A 37 4.374 2.038 -18.471 1.00 54.11 H new ATOM 0 HE2 LYS A 37 4.899 4.739 -18.525 1.00 11.22 H new ATOM 0 HE3 LYS A 37 5.072 4.403 -16.814 1.00 11.22 H new ATOM 0 HZ1 LYS A 37 7.173 4.066 -17.781 1.00 64.40 H new ATOM 0 HZ2 LYS A 37 6.566 2.507 -17.488 1.00 64.40 H new ATOM 0 HZ3 LYS A 37 6.547 3.145 -19.062 1.00 64.40 H new ATOM 554 N TYR A 38 0.196 6.029 -15.364 1.00 55.52 N ATOM 555 CA TYR A 38 -1.080 6.534 -14.870 1.00 52.24 C ATOM 556 C TYR A 38 -1.384 7.911 -15.453 1.00 45.21 C ATOM 557 O TYR A 38 -0.475 8.683 -15.756 1.00 1.12 O ATOM 558 CB TYR A 38 -1.067 6.606 -13.343 1.00 11.24 C ATOM 559 CG TYR A 38 -1.974 7.677 -12.779 1.00 72.31 C ATOM 560 CD1 TYR A 38 -3.313 7.413 -12.518 1.00 54.44 C ATOM 561 CD2 TYR A 38 -1.493 8.951 -12.508 1.00 44.54 C ATOM 562 CE1 TYR A 38 -4.146 8.388 -12.004 1.00 51.42 C ATOM 563 CE2 TYR A 38 -2.318 9.932 -11.993 1.00 4.22 C ATOM 564 CZ TYR A 38 -3.643 9.646 -11.743 1.00 35.13 C ATOM 565 OH TYR A 38 -4.469 10.621 -11.230 1.00 61.45 O ATOM 0 H TYR A 38 0.995 6.627 -15.155 1.00 55.52 H new ATOM 0 HA TYR A 38 -1.862 5.844 -15.188 1.00 52.24 H new ATOM 0 HB2 TYR A 38 -1.366 5.639 -12.940 1.00 11.24 H new ATOM 0 HB3 TYR A 38 -0.047 6.790 -13.005 1.00 11.24 H new ATOM 0 HD1 TYR A 38 -3.709 6.429 -12.720 1.00 54.44 H new ATOM 0 HD2 TYR A 38 -0.456 9.179 -12.703 1.00 44.54 H new ATOM 0 HE1 TYR A 38 -5.185 8.167 -11.808 1.00 51.42 H new ATOM 0 HE2 TYR A 38 -1.927 10.918 -11.787 1.00 4.22 H new ATOM 0 HH TYR A 38 -5.168 10.204 -10.684 1.00 61.45 H new ATOM 575 N ASN A 39 -2.669 8.211 -15.607 1.00 12.34 N ATOM 576 CA ASN A 39 -3.094 9.495 -16.153 1.00 34.03 C ATOM 577 C ASN A 39 -4.553 9.777 -15.806 1.00 53.15 C ATOM 578 O ASN A 39 -5.291 8.877 -15.403 1.00 1.53 O ATOM 579 CB ASN A 39 -2.906 9.514 -17.671 1.00 10.40 C ATOM 580 CG ASN A 39 -1.629 10.219 -18.086 1.00 62.21 C ATOM 581 OD1 ASN A 39 -1.364 11.346 -17.668 1.00 14.10 O ATOM 582 ND2 ASN A 39 -0.829 9.555 -18.913 1.00 55.23 N ATOM 0 H ASN A 39 -3.434 7.583 -15.362 1.00 12.34 H new ATOM 0 HA ASN A 39 -2.476 10.274 -15.707 1.00 34.03 H new ATOM 0 HB2 ASN A 39 -2.891 8.490 -18.045 1.00 10.40 H new ATOM 0 HB3 ASN A 39 -3.759 10.010 -18.134 1.00 10.40 H new ATOM 0 HD21 ASN A 39 0.045 9.978 -19.226 1.00 55.23 H new ATOM 0 HD22 ASN A 39 -1.088 8.622 -19.234 1.00 55.23 H new ATOM 589 N ILE A 40 -4.962 11.031 -15.968 1.00 31.11 N ATOM 590 CA ILE A 40 -6.333 11.431 -15.674 1.00 63.21 C ATOM 591 C ILE A 40 -6.948 12.187 -16.847 1.00 2.55 C ATOM 592 O ILE A 40 -6.344 13.115 -17.386 1.00 14.32 O ATOM 593 CB ILE A 40 -6.404 12.313 -14.414 1.00 42.40 C ATOM 594 CG1 ILE A 40 -4.998 12.587 -13.876 1.00 63.41 C ATOM 595 CG2 ILE A 40 -7.264 11.649 -13.350 1.00 31.22 C ATOM 596 CD1 ILE A 40 -4.986 13.399 -12.600 1.00 52.45 C ATOM 0 H ILE A 40 -4.364 11.787 -16.301 1.00 31.11 H new ATOM 0 HA ILE A 40 -6.899 10.516 -15.498 1.00 63.21 H new ATOM 0 HB ILE A 40 -6.862 13.265 -14.681 1.00 42.40 H new ATOM 0 HG12 ILE A 40 -4.495 11.637 -13.697 1.00 63.41 H new ATOM 0 HG13 ILE A 40 -4.423 13.114 -14.637 1.00 63.41 H new ATOM 0 HG21 ILE A 40 -7.304 12.285 -12.466 1.00 31.22 H new ATOM 0 HG22 ILE A 40 -8.272 11.501 -13.737 1.00 31.22 H new ATOM 0 HG23 ILE A 40 -6.833 10.684 -13.084 1.00 31.22 H new ATOM 0 HD11 ILE A 40 -3.957 13.554 -12.277 1.00 52.45 H new ATOM 0 HD12 ILE A 40 -5.460 14.364 -12.779 1.00 52.45 H new ATOM 0 HD13 ILE A 40 -5.533 12.864 -11.823 1.00 52.45 H new ATOM 608 N PHE A 41 -8.153 11.786 -17.235 1.00 74.05 N ATOM 609 CA PHE A 41 -8.852 12.427 -18.344 1.00 22.42 C ATOM 610 C PHE A 41 -10.274 12.807 -17.943 1.00 73.34 C ATOM 611 O PHE A 41 -10.878 12.172 -17.077 1.00 54.34 O ATOM 612 CB PHE A 41 -8.883 11.498 -19.560 1.00 10.14 C ATOM 613 CG PHE A 41 -8.914 10.040 -19.200 1.00 11.22 C ATOM 614 CD1 PHE A 41 -10.107 9.422 -18.859 1.00 45.41 C ATOM 615 CD2 PHE A 41 -7.751 9.288 -19.202 1.00 23.31 C ATOM 616 CE1 PHE A 41 -10.139 8.081 -18.528 1.00 23.21 C ATOM 617 CE2 PHE A 41 -7.777 7.946 -18.872 1.00 22.20 C ATOM 618 CZ PHE A 41 -8.972 7.342 -18.533 1.00 60.14 C ATOM 0 H PHE A 41 -8.667 11.020 -16.799 1.00 74.05 H new ATOM 0 HA PHE A 41 -8.312 13.337 -18.605 1.00 22.42 H new ATOM 0 HB2 PHE A 41 -9.759 11.733 -20.165 1.00 10.14 H new ATOM 0 HB3 PHE A 41 -8.007 11.693 -20.178 1.00 10.14 H new ATOM 0 HD1 PHE A 41 -11.022 9.995 -18.852 1.00 45.41 H new ATOM 0 HD2 PHE A 41 -6.813 9.755 -19.464 1.00 23.31 H new ATOM 0 HE1 PHE A 41 -11.075 7.611 -18.266 1.00 23.21 H new ATOM 0 HE2 PHE A 41 -6.863 7.370 -18.879 1.00 22.20 H new ATOM 0 HZ PHE A 41 -8.994 6.294 -18.272 1.00 60.14 H new ATOM 628 N LEU A 42 -10.804 13.846 -18.579 1.00 45.20 N ATOM 629 CA LEU A 42 -12.155 14.313 -18.290 1.00 32.32 C ATOM 630 C LEU A 42 -13.085 14.054 -19.471 1.00 41.01 C ATOM 631 O LEU A 42 -12.810 14.475 -20.595 1.00 13.53 O ATOM 632 CB LEU A 42 -12.140 15.805 -17.955 1.00 51.23 C ATOM 633 CG LEU A 42 -13.219 16.286 -16.984 1.00 43.30 C ATOM 634 CD1 LEU A 42 -13.213 17.804 -16.889 1.00 2.10 C ATOM 635 CD2 LEU A 42 -14.588 15.782 -17.416 1.00 12.44 C ATOM 0 H LEU A 42 -10.318 14.381 -19.299 1.00 45.20 H new ATOM 0 HA LEU A 42 -12.528 13.758 -17.429 1.00 32.32 H new ATOM 0 HB2 LEU A 42 -11.165 16.053 -17.535 1.00 51.23 H new ATOM 0 HB3 LEU A 42 -12.239 16.367 -18.884 1.00 51.23 H new ATOM 0 HG LEU A 42 -13.000 15.880 -15.997 1.00 43.30 H new ATOM 0 HD11 LEU A 42 -13.987 18.128 -16.194 1.00 2.10 H new ATOM 0 HD12 LEU A 42 -12.240 18.142 -16.532 1.00 2.10 H new ATOM 0 HD13 LEU A 42 -13.407 18.231 -17.873 1.00 2.10 H new ATOM 0 HD21 LEU A 42 -15.344 16.134 -16.714 1.00 12.44 H new ATOM 0 HD22 LEU A 42 -14.816 16.158 -18.413 1.00 12.44 H new ATOM 0 HD23 LEU A 42 -14.586 14.692 -17.431 1.00 12.44 H new ATOM 647 N VAL A 43 -14.188 13.360 -19.209 1.00 23.24 N ATOM 648 CA VAL A 43 -15.160 13.048 -20.249 1.00 73.21 C ATOM 649 C VAL A 43 -16.404 13.919 -20.118 1.00 13.23 C ATOM 650 O VAL A 43 -16.877 14.182 -19.012 1.00 4.25 O ATOM 651 CB VAL A 43 -15.578 11.566 -20.201 1.00 64.10 C ATOM 652 CG1 VAL A 43 -14.453 10.713 -19.634 1.00 35.51 C ATOM 653 CG2 VAL A 43 -16.850 11.397 -19.384 1.00 50.45 C ATOM 0 H VAL A 43 -14.430 13.003 -18.285 1.00 23.24 H new ATOM 0 HA VAL A 43 -14.676 13.251 -21.205 1.00 73.21 H new ATOM 0 HB VAL A 43 -15.780 11.230 -21.218 1.00 64.10 H new ATOM 0 HG11 VAL A 43 -14.766 9.669 -19.607 1.00 35.51 H new ATOM 0 HG12 VAL A 43 -13.569 10.811 -20.264 1.00 35.51 H new ATOM 0 HG13 VAL A 43 -14.217 11.047 -18.624 1.00 35.51 H new ATOM 0 HG21 VAL A 43 -17.130 10.344 -19.361 1.00 50.45 H new ATOM 0 HG22 VAL A 43 -16.679 11.749 -18.367 1.00 50.45 H new ATOM 0 HG23 VAL A 43 -17.654 11.977 -19.838 1.00 50.45 H new ATOM 663 N ASP A 44 -16.931 14.364 -21.253 1.00 43.13 N ATOM 664 CA ASP A 44 -18.122 15.205 -21.266 1.00 42.30 C ATOM 665 C ASP A 44 -19.113 14.728 -22.323 1.00 10.02 C ATOM 666 O ASP A 44 -18.911 14.940 -23.519 1.00 54.33 O ATOM 667 CB ASP A 44 -17.740 16.663 -21.528 1.00 60.14 C ATOM 668 CG ASP A 44 -16.776 16.809 -22.689 1.00 65.20 C ATOM 669 OD1 ASP A 44 -15.562 16.601 -22.481 1.00 40.50 O ATOM 670 OD2 ASP A 44 -17.234 17.131 -23.805 1.00 52.22 O ATOM 0 H ASP A 44 -16.552 14.156 -22.177 1.00 43.13 H new ATOM 0 HA ASP A 44 -18.599 15.132 -20.288 1.00 42.30 H new ATOM 0 HB2 ASP A 44 -18.641 17.241 -21.733 1.00 60.14 H new ATOM 0 HB3 ASP A 44 -17.289 17.084 -20.630 1.00 60.14 H new ATOM 675 N LEU A 45 -20.183 14.082 -21.874 1.00 31.43 N ATOM 676 CA LEU A 45 -21.206 13.573 -22.781 1.00 31.43 C ATOM 677 C LEU A 45 -22.559 13.487 -22.082 1.00 53.02 C ATOM 678 O LEU A 45 -22.631 13.357 -20.860 1.00 14.11 O ATOM 679 CB LEU A 45 -20.805 12.195 -23.311 1.00 53.05 C ATOM 680 CG LEU A 45 -20.812 12.034 -24.832 1.00 74.50 C ATOM 681 CD1 LEU A 45 -22.228 12.155 -25.375 1.00 62.11 C ATOM 682 CD2 LEU A 45 -19.900 13.063 -25.482 1.00 3.20 C ATOM 0 H LEU A 45 -20.365 13.898 -20.887 1.00 31.43 H new ATOM 0 HA LEU A 45 -21.293 14.266 -23.617 1.00 31.43 H new ATOM 0 HB2 LEU A 45 -19.804 11.964 -22.946 1.00 53.05 H new ATOM 0 HB3 LEU A 45 -21.479 11.453 -22.884 1.00 53.05 H new ATOM 0 HG LEU A 45 -20.435 11.040 -25.074 1.00 74.50 H new ATOM 0 HD11 LEU A 45 -22.213 12.038 -26.459 1.00 62.11 H new ATOM 0 HD12 LEU A 45 -22.854 11.379 -24.935 1.00 62.11 H new ATOM 0 HD13 LEU A 45 -22.632 13.135 -25.121 1.00 62.11 H new ATOM 0 HD21 LEU A 45 -19.918 12.933 -26.564 1.00 3.20 H new ATOM 0 HD22 LEU A 45 -20.246 14.066 -25.231 1.00 3.20 H new ATOM 0 HD23 LEU A 45 -18.882 12.929 -25.117 1.00 3.20 H new ATOM 694 N TYR A 46 -23.629 13.559 -22.866 1.00 73.31 N ATOM 695 CA TYR A 46 -24.981 13.490 -22.323 1.00 23.40 C ATOM 696 C TYR A 46 -25.263 14.680 -21.411 1.00 23.53 C ATOM 697 O TYR A 46 -25.984 14.561 -20.421 1.00 63.51 O ATOM 698 CB TYR A 46 -25.177 12.184 -21.551 1.00 64.54 C ATOM 699 CG TYR A 46 -24.782 10.952 -22.335 1.00 53.12 C ATOM 700 CD1 TYR A 46 -25.582 10.475 -23.367 1.00 4.42 C ATOM 701 CD2 TYR A 46 -23.609 10.266 -22.045 1.00 34.13 C ATOM 702 CE1 TYR A 46 -25.225 9.350 -24.085 1.00 14.41 C ATOM 703 CE2 TYR A 46 -23.245 9.141 -22.759 1.00 24.25 C ATOM 704 CZ TYR A 46 -24.056 8.687 -23.777 1.00 71.22 C ATOM 705 OH TYR A 46 -23.697 7.566 -24.491 1.00 51.52 O ATOM 0 H TYR A 46 -23.587 13.665 -23.880 1.00 73.31 H new ATOM 0 HA TYR A 46 -25.682 13.520 -23.157 1.00 23.40 H new ATOM 0 HB2 TYR A 46 -24.591 12.223 -20.633 1.00 64.54 H new ATOM 0 HB3 TYR A 46 -26.223 12.098 -21.258 1.00 64.54 H new ATOM 0 HD1 TYR A 46 -26.498 10.993 -23.612 1.00 4.42 H new ATOM 0 HD2 TYR A 46 -22.971 10.618 -21.248 1.00 34.13 H new ATOM 0 HE1 TYR A 46 -25.858 8.992 -24.883 1.00 14.41 H new ATOM 0 HE2 TYR A 46 -22.330 8.620 -22.521 1.00 24.25 H new ATOM 0 HH TYR A 46 -22.847 7.219 -24.149 1.00 51.52 H new ATOM 715 N GLY A 47 -24.688 15.829 -21.753 1.00 20.30 N ATOM 716 CA GLY A 47 -24.889 17.025 -20.956 1.00 61.21 C ATOM 717 C GLY A 47 -24.251 16.922 -19.585 1.00 32.12 C ATOM 718 O GLY A 47 -24.441 17.795 -18.739 1.00 3.32 O ATOM 0 H GLY A 47 -24.087 15.953 -22.568 1.00 20.30 H new ATOM 0 HA2 GLY A 47 -24.473 17.883 -21.483 1.00 61.21 H new ATOM 0 HA3 GLY A 47 -25.958 17.207 -20.843 1.00 61.21 H new ATOM 722 N GLN A 48 -23.495 15.851 -19.364 1.00 51.34 N ATOM 723 CA GLN A 48 -22.830 15.637 -18.085 1.00 22.12 C ATOM 724 C GLN A 48 -21.363 15.273 -18.288 1.00 44.42 C ATOM 725 O GLN A 48 -21.012 14.565 -19.233 1.00 13.53 O ATOM 726 CB GLN A 48 -23.537 14.532 -17.297 1.00 44.33 C ATOM 727 CG GLN A 48 -25.039 14.733 -17.183 1.00 31.03 C ATOM 728 CD GLN A 48 -25.620 14.093 -15.937 1.00 50.41 C ATOM 729 OE1 GLN A 48 -25.584 14.675 -14.852 1.00 72.13 O ATOM 730 NE2 GLN A 48 -26.160 12.889 -16.086 1.00 51.53 N ATOM 0 H GLN A 48 -23.328 15.119 -20.054 1.00 51.34 H new ATOM 0 HA GLN A 48 -22.880 16.567 -17.519 1.00 22.12 H new ATOM 0 HB2 GLN A 48 -23.342 13.573 -17.777 1.00 44.33 H new ATOM 0 HB3 GLN A 48 -23.109 14.480 -16.296 1.00 44.33 H new ATOM 0 HG2 GLN A 48 -25.259 15.800 -17.175 1.00 31.03 H new ATOM 0 HG3 GLN A 48 -25.526 14.313 -18.063 1.00 31.03 H new ATOM 0 HE21 GLN A 48 -26.168 12.444 -17.004 1.00 51.53 H new ATOM 0 HE22 GLN A 48 -26.567 12.410 -15.283 1.00 51.53 H new ATOM 739 N LYS A 49 -20.508 15.763 -17.396 1.00 61.24 N ATOM 740 CA LYS A 49 -19.078 15.490 -17.476 1.00 61.53 C ATOM 741 C LYS A 49 -18.610 14.682 -16.270 1.00 30.21 C ATOM 742 O LYS A 49 -18.914 15.023 -15.127 1.00 30.04 O ATOM 743 CB LYS A 49 -18.291 16.800 -17.562 1.00 75.44 C ATOM 744 CG LYS A 49 -18.752 17.852 -16.568 1.00 64.32 C ATOM 745 CD LYS A 49 -19.474 18.995 -17.261 1.00 4.33 C ATOM 746 CE LYS A 49 -18.563 20.200 -17.444 1.00 61.44 C ATOM 747 NZ LYS A 49 -19.329 21.424 -17.807 1.00 41.11 N ATOM 0 H LYS A 49 -20.781 16.352 -16.609 1.00 61.24 H new ATOM 0 HA LYS A 49 -18.896 14.904 -18.377 1.00 61.53 H new ATOM 0 HB2 LYS A 49 -17.234 16.591 -17.394 1.00 75.44 H new ATOM 0 HB3 LYS A 49 -18.380 17.202 -18.571 1.00 75.44 H new ATOM 0 HG2 LYS A 49 -19.414 17.394 -15.833 1.00 64.32 H new ATOM 0 HG3 LYS A 49 -17.892 18.241 -16.023 1.00 64.32 H new ATOM 0 HD2 LYS A 49 -19.837 18.661 -18.233 1.00 4.33 H new ATOM 0 HD3 LYS A 49 -20.347 19.283 -16.676 1.00 4.33 H new ATOM 0 HE2 LYS A 49 -18.008 20.379 -16.523 1.00 61.44 H new ATOM 0 HE3 LYS A 49 -17.830 19.986 -18.222 1.00 61.44 H new ATOM 0 HZ1 LYS A 49 -18.673 22.223 -17.923 1.00 41.11 H new ATOM 0 HZ2 LYS A 49 -19.839 21.263 -18.699 1.00 41.11 H new ATOM 0 HZ3 LYS A 49 -20.011 21.643 -17.053 1.00 41.11 H new ATOM 761 N TYR A 50 -17.869 13.611 -16.532 1.00 45.41 N ATOM 762 CA TYR A 50 -17.359 12.755 -15.468 1.00 35.14 C ATOM 763 C TYR A 50 -15.841 12.629 -15.549 1.00 32.12 C ATOM 764 O TYR A 50 -15.258 12.694 -16.631 1.00 71.32 O ATOM 765 CB TYR A 50 -18.002 11.369 -15.548 1.00 14.31 C ATOM 766 CG TYR A 50 -19.472 11.403 -15.901 1.00 52.31 C ATOM 767 CD1 TYR A 50 -20.330 12.317 -15.302 1.00 32.24 C ATOM 768 CD2 TYR A 50 -20.003 10.522 -16.835 1.00 44.04 C ATOM 769 CE1 TYR A 50 -21.674 12.351 -15.621 1.00 23.32 C ATOM 770 CE2 TYR A 50 -21.345 10.550 -17.162 1.00 23.31 C ATOM 771 CZ TYR A 50 -22.176 11.465 -16.552 1.00 12.54 C ATOM 772 OH TYR A 50 -23.514 11.497 -16.873 1.00 43.04 O ATOM 0 H TYR A 50 -17.608 13.315 -17.473 1.00 45.41 H new ATOM 0 HA TYR A 50 -17.616 13.214 -14.513 1.00 35.14 H new ATOM 0 HB2 TYR A 50 -17.472 10.774 -16.292 1.00 14.31 H new ATOM 0 HB3 TYR A 50 -17.879 10.865 -14.590 1.00 14.31 H new ATOM 0 HD1 TYR A 50 -19.940 13.013 -14.574 1.00 32.24 H new ATOM 0 HD2 TYR A 50 -19.355 9.803 -17.314 1.00 44.04 H new ATOM 0 HE1 TYR A 50 -22.328 13.067 -15.145 1.00 23.32 H new ATOM 0 HE2 TYR A 50 -21.741 9.859 -17.891 1.00 23.31 H new ATOM 0 HH TYR A 50 -23.616 11.524 -17.847 1.00 43.04 H new ATOM 782 N PHE A 51 -15.207 12.448 -14.395 1.00 64.33 N ATOM 783 CA PHE A 51 -13.756 12.313 -14.334 1.00 20.51 C ATOM 784 C PHE A 51 -13.352 10.848 -14.194 1.00 24.14 C ATOM 785 O PHE A 51 -13.878 10.126 -13.346 1.00 45.21 O ATOM 786 CB PHE A 51 -13.196 13.122 -13.162 1.00 53.34 C ATOM 787 CG PHE A 51 -13.279 14.608 -13.367 1.00 20.01 C ATOM 788 CD1 PHE A 51 -14.508 15.245 -13.426 1.00 1.20 C ATOM 789 CD2 PHE A 51 -12.128 15.367 -13.501 1.00 3.34 C ATOM 790 CE1 PHE A 51 -14.588 16.612 -13.614 1.00 4.33 C ATOM 791 CE2 PHE A 51 -12.201 16.735 -13.688 1.00 71.40 C ATOM 792 CZ PHE A 51 -13.432 17.358 -13.746 1.00 35.31 C ATOM 0 H PHE A 51 -15.675 12.391 -13.490 1.00 64.33 H new ATOM 0 HA PHE A 51 -13.341 12.699 -15.265 1.00 20.51 H new ATOM 0 HB2 PHE A 51 -13.740 12.857 -12.255 1.00 53.34 H new ATOM 0 HB3 PHE A 51 -12.155 12.843 -13.002 1.00 53.34 H new ATOM 0 HD1 PHE A 51 -15.414 14.667 -13.324 1.00 1.20 H new ATOM 0 HD2 PHE A 51 -11.163 14.885 -13.459 1.00 3.34 H new ATOM 0 HE1 PHE A 51 -15.552 17.096 -13.658 1.00 4.33 H new ATOM 0 HE2 PHE A 51 -11.296 17.316 -13.789 1.00 71.40 H new ATOM 0 HZ PHE A 51 -13.491 18.426 -13.894 1.00 35.31 H new ATOM 802 N ARG A 52 -12.414 10.416 -15.031 1.00 55.22 N ATOM 803 CA ARG A 52 -11.940 9.038 -15.003 1.00 34.25 C ATOM 804 C ARG A 52 -10.415 8.987 -15.001 1.00 53.34 C ATOM 805 O ARG A 52 -9.757 9.805 -15.645 1.00 11.11 O ATOM 806 CB ARG A 52 -12.486 8.263 -16.204 1.00 10.34 C ATOM 807 CG ARG A 52 -13.923 7.799 -16.027 1.00 43.35 C ATOM 808 CD ARG A 52 -14.911 8.900 -16.381 1.00 62.44 C ATOM 809 NE ARG A 52 -15.887 8.460 -17.374 1.00 74.32 N ATOM 810 CZ ARG A 52 -16.890 7.631 -17.102 1.00 44.34 C ATOM 811 NH1 ARG A 52 -17.047 7.156 -15.875 1.00 22.02 N ATOM 812 NH2 ARG A 52 -17.738 7.277 -18.060 1.00 5.33 N ATOM 0 H ARG A 52 -11.967 11.001 -15.737 1.00 55.22 H new ATOM 0 HA ARG A 52 -12.303 8.575 -14.086 1.00 34.25 H new ATOM 0 HB2 ARG A 52 -12.423 8.893 -17.091 1.00 10.34 H new ATOM 0 HB3 ARG A 52 -11.852 7.395 -16.384 1.00 10.34 H new ATOM 0 HG2 ARG A 52 -14.106 6.928 -16.657 1.00 43.35 H new ATOM 0 HG3 ARG A 52 -14.081 7.485 -14.995 1.00 43.35 H new ATOM 0 HD2 ARG A 52 -15.431 9.224 -15.480 1.00 62.44 H new ATOM 0 HD3 ARG A 52 -14.369 9.765 -16.764 1.00 62.44 H new ATOM 0 HE ARG A 52 -15.794 8.808 -18.328 1.00 74.32 H new ATOM 0 HH11 ARG A 52 -16.397 7.426 -15.136 1.00 22.02 H new ATOM 0 HH12 ARG A 52 -17.817 6.520 -15.669 1.00 22.02 H new ATOM 0 HH21 ARG A 52 -17.620 7.641 -19.005 1.00 5.33 H new ATOM 0 HH22 ARG A 52 -18.507 6.641 -17.851 1.00 5.33 H new ATOM 826 N ILE A 53 -9.861 8.023 -14.275 1.00 30.14 N ATOM 827 CA ILE A 53 -8.414 7.866 -14.191 1.00 13.05 C ATOM 828 C ILE A 53 -7.989 6.461 -14.604 1.00 2.22 C ATOM 829 O ILE A 53 -8.617 5.473 -14.222 1.00 22.31 O ATOM 830 CB ILE A 53 -7.899 8.148 -12.767 1.00 13.22 C ATOM 831 CG1 ILE A 53 -7.922 6.868 -11.930 1.00 22.34 C ATOM 832 CG2 ILE A 53 -8.736 9.234 -12.106 1.00 43.05 C ATOM 833 CD1 ILE A 53 -6.655 6.049 -12.043 1.00 41.04 C ATOM 0 H ILE A 53 -10.392 7.339 -13.736 1.00 30.14 H new ATOM 0 HA ILE A 53 -7.977 8.592 -14.877 1.00 13.05 H new ATOM 0 HB ILE A 53 -6.869 8.499 -12.832 1.00 13.22 H new ATOM 0 HG12 ILE A 53 -8.083 7.130 -10.884 1.00 22.34 H new ATOM 0 HG13 ILE A 53 -8.769 6.256 -12.240 1.00 22.34 H new ATOM 0 HG21 ILE A 53 -8.360 9.422 -11.100 1.00 43.05 H new ATOM 0 HG22 ILE A 53 -8.674 10.150 -12.694 1.00 43.05 H new ATOM 0 HG23 ILE A 53 -9.775 8.909 -12.050 1.00 43.05 H new ATOM 0 HD11 ILE A 53 -6.742 5.157 -11.423 1.00 41.04 H new ATOM 0 HD12 ILE A 53 -6.503 5.756 -13.082 1.00 41.04 H new ATOM 0 HD13 ILE A 53 -5.806 6.644 -11.705 1.00 41.04 H new ATOM 845 N LEU A 54 -6.918 6.379 -15.385 1.00 45.50 N ATOM 846 CA LEU A 54 -6.405 5.095 -15.849 1.00 74.24 C ATOM 847 C LEU A 54 -5.005 4.838 -15.304 1.00 24.55 C ATOM 848 O LEU A 54 -4.077 5.607 -15.557 1.00 33.14 O ATOM 849 CB LEU A 54 -6.385 5.054 -17.378 1.00 43.44 C ATOM 850 CG LEU A 54 -6.578 3.678 -18.016 1.00 42.11 C ATOM 851 CD1 LEU A 54 -6.325 3.744 -19.514 1.00 63.33 C ATOM 852 CD2 LEU A 54 -5.661 2.654 -17.363 1.00 1.32 C ATOM 0 H LEU A 54 -6.388 7.187 -15.711 1.00 45.50 H new ATOM 0 HA LEU A 54 -7.067 4.312 -15.479 1.00 74.24 H new ATOM 0 HB2 LEU A 54 -7.166 5.717 -17.749 1.00 43.44 H new ATOM 0 HB3 LEU A 54 -5.433 5.460 -17.720 1.00 43.44 H new ATOM 0 HG LEU A 54 -7.610 3.366 -17.856 1.00 42.11 H new ATOM 0 HD11 LEU A 54 -6.467 2.756 -19.951 1.00 63.33 H new ATOM 0 HD12 LEU A 54 -7.023 4.446 -19.970 1.00 63.33 H new ATOM 0 HD13 LEU A 54 -5.303 4.078 -19.696 1.00 63.33 H new ATOM 0 HD21 LEU A 54 -5.812 1.681 -17.830 1.00 1.32 H new ATOM 0 HD22 LEU A 54 -4.623 2.961 -17.491 1.00 1.32 H new ATOM 0 HD23 LEU A 54 -5.890 2.586 -16.300 1.00 1.32 H new ATOM 864 N PHE A 55 -4.858 3.749 -14.555 1.00 45.30 N ATOM 865 CA PHE A 55 -3.569 3.389 -13.974 1.00 52.33 C ATOM 866 C PHE A 55 -3.132 2.003 -14.439 1.00 5.33 C ATOM 867 O PHE A 55 -3.832 1.015 -14.220 1.00 44.13 O ATOM 868 CB PHE A 55 -3.646 3.427 -12.447 1.00 33.14 C ATOM 869 CG PHE A 55 -2.421 2.881 -11.771 1.00 31.40 C ATOM 870 CD1 PHE A 55 -2.193 1.515 -11.720 1.00 30.14 C ATOM 871 CD2 PHE A 55 -1.497 3.733 -11.188 1.00 32.31 C ATOM 872 CE1 PHE A 55 -1.067 1.010 -11.098 1.00 21.32 C ATOM 873 CE2 PHE A 55 -0.369 3.233 -10.565 1.00 42.30 C ATOM 874 CZ PHE A 55 -0.153 1.870 -10.521 1.00 30.11 C ATOM 0 H PHE A 55 -5.615 3.101 -14.336 1.00 45.30 H new ATOM 0 HA PHE A 55 -2.830 4.116 -14.311 1.00 52.33 H new ATOM 0 HB2 PHE A 55 -3.801 4.457 -12.125 1.00 33.14 H new ATOM 0 HB3 PHE A 55 -4.516 2.857 -12.121 1.00 33.14 H new ATOM 0 HD1 PHE A 55 -2.903 0.838 -12.171 1.00 30.14 H new ATOM 0 HD2 PHE A 55 -1.660 4.800 -11.221 1.00 32.31 H new ATOM 0 HE1 PHE A 55 -0.902 -0.057 -11.063 1.00 21.32 H new ATOM 0 HE2 PHE A 55 0.343 3.908 -10.113 1.00 42.30 H new ATOM 0 HZ PHE A 55 0.729 1.477 -10.037 1.00 30.11 H new ATOM 884 N GLN A 56 -1.969 1.941 -15.081 1.00 34.44 N ATOM 885 CA GLN A 56 -1.439 0.676 -15.577 1.00 42.52 C ATOM 886 C GLN A 56 0.055 0.564 -15.292 1.00 62.32 C ATOM 887 O GLN A 56 0.757 1.571 -15.199 1.00 61.43 O ATOM 888 CB GLN A 56 -1.695 0.547 -17.080 1.00 23.23 C ATOM 889 CG GLN A 56 -1.726 1.880 -17.809 1.00 1.31 C ATOM 890 CD GLN A 56 -1.971 1.726 -19.297 1.00 1.20 C ATOM 891 OE1 GLN A 56 -2.918 2.292 -19.844 1.00 32.23 O ATOM 892 NE2 GLN A 56 -1.116 0.958 -19.962 1.00 22.35 N ATOM 0 H GLN A 56 -1.377 2.750 -15.269 1.00 34.44 H new ATOM 0 HA GLN A 56 -1.951 -0.134 -15.057 1.00 42.52 H new ATOM 0 HB2 GLN A 56 -0.919 -0.080 -17.520 1.00 23.23 H new ATOM 0 HB3 GLN A 56 -2.645 0.035 -17.236 1.00 23.23 H new ATOM 0 HG2 GLN A 56 -2.507 2.507 -17.379 1.00 1.31 H new ATOM 0 HG3 GLN A 56 -0.780 2.398 -17.652 1.00 1.31 H new ATOM 0 HE21 GLN A 56 -0.345 0.508 -19.469 1.00 22.35 H new ATOM 0 HE22 GLN A 56 -1.230 0.818 -20.966 1.00 22.35 H new ATOM 901 N SER A 57 0.535 -0.668 -15.154 1.00 71.20 N ATOM 902 CA SER A 57 1.945 -0.913 -14.875 1.00 42.52 C ATOM 903 C SER A 57 2.581 -1.749 -15.982 1.00 12.22 C ATOM 904 O SER A 57 1.887 -2.422 -16.744 1.00 51.45 O ATOM 905 CB SER A 57 2.105 -1.621 -13.529 1.00 24.21 C ATOM 906 OG SER A 57 1.059 -1.270 -12.640 1.00 71.31 O ATOM 0 H SER A 57 -0.032 -1.512 -15.231 1.00 71.20 H new ATOM 0 HA SER A 57 2.454 0.050 -14.833 1.00 42.52 H new ATOM 0 HB2 SER A 57 2.110 -2.700 -13.681 1.00 24.21 H new ATOM 0 HB3 SER A 57 3.066 -1.356 -13.087 1.00 24.21 H new ATOM 0 HG SER A 57 0.290 -1.858 -12.791 1.00 71.31 H new ATOM 912 N LYS A 58 3.906 -1.701 -16.063 1.00 61.33 N ATOM 913 CA LYS A 58 4.638 -2.454 -17.075 1.00 24.33 C ATOM 914 C LYS A 58 5.130 -3.784 -16.513 1.00 23.33 C ATOM 915 O LYS A 58 5.641 -4.630 -17.247 1.00 43.24 O ATOM 916 CB LYS A 58 5.825 -1.636 -17.590 1.00 34.12 C ATOM 917 CG LYS A 58 6.073 -1.796 -19.080 1.00 14.03 C ATOM 918 CD LYS A 58 5.194 -0.862 -19.895 1.00 33.03 C ATOM 919 CE LYS A 58 5.907 0.445 -20.206 1.00 22.40 C ATOM 920 NZ LYS A 58 5.142 1.277 -21.176 1.00 25.15 N ATOM 0 H LYS A 58 4.495 -1.149 -15.440 1.00 61.33 H new ATOM 0 HA LYS A 58 3.958 -2.658 -17.903 1.00 24.33 H new ATOM 0 HB2 LYS A 58 5.652 -0.583 -17.370 1.00 34.12 H new ATOM 0 HB3 LYS A 58 6.722 -1.932 -17.047 1.00 34.12 H new ATOM 0 HG2 LYS A 58 7.121 -1.594 -19.299 1.00 14.03 H new ATOM 0 HG3 LYS A 58 5.879 -2.828 -19.373 1.00 14.03 H new ATOM 0 HD2 LYS A 58 4.906 -1.351 -20.826 1.00 33.03 H new ATOM 0 HD3 LYS A 58 4.275 -0.655 -19.347 1.00 33.03 H new ATOM 0 HE2 LYS A 58 6.055 1.006 -19.283 1.00 22.40 H new ATOM 0 HE3 LYS A 58 6.896 0.232 -20.611 1.00 22.40 H new ATOM 0 HZ1 LYS A 58 5.661 2.159 -21.362 1.00 25.15 H new ATOM 0 HZ2 LYS A 58 5.022 0.752 -22.065 1.00 25.15 H new ATOM 0 HZ3 LYS A 58 4.208 1.502 -20.779 1.00 25.15 H new ATOM 934 N LYS A 59 4.972 -3.964 -15.206 1.00 11.03 N ATOM 935 CA LYS A 59 5.397 -5.192 -14.545 1.00 20.13 C ATOM 936 C LYS A 59 4.245 -6.188 -14.454 1.00 63.01 C ATOM 937 O LYS A 59 4.422 -7.317 -13.994 1.00 11.10 O ATOM 938 CB LYS A 59 5.930 -4.883 -13.144 1.00 33.34 C ATOM 939 CG LYS A 59 7.411 -5.175 -12.978 1.00 70.40 C ATOM 940 CD LYS A 59 8.258 -3.949 -13.276 1.00 32.41 C ATOM 941 CE LYS A 59 8.136 -3.528 -14.732 1.00 74.03 C ATOM 942 NZ LYS A 59 9.409 -2.958 -15.254 1.00 32.25 N ATOM 0 H LYS A 59 4.552 -3.274 -14.583 1.00 11.03 H new ATOM 0 HA LYS A 59 6.194 -5.638 -15.140 1.00 20.13 H new ATOM 0 HB2 LYS A 59 5.748 -3.832 -12.919 1.00 33.34 H new ATOM 0 HB3 LYS A 59 5.369 -5.467 -12.414 1.00 33.34 H new ATOM 0 HG2 LYS A 59 7.604 -5.513 -11.960 1.00 70.40 H new ATOM 0 HG3 LYS A 59 7.699 -5.988 -13.644 1.00 70.40 H new ATOM 0 HD2 LYS A 59 7.949 -3.126 -12.631 1.00 32.41 H new ATOM 0 HD3 LYS A 59 9.302 -4.161 -13.044 1.00 32.41 H new ATOM 0 HE2 LYS A 59 7.849 -4.389 -15.336 1.00 74.03 H new ATOM 0 HE3 LYS A 59 7.340 -2.790 -14.831 1.00 74.03 H new ATOM 0 HZ1 LYS A 59 9.284 -2.683 -16.249 1.00 32.25 H new ATOM 0 HZ2 LYS A 59 9.670 -2.121 -14.694 1.00 32.25 H new ATOM 0 HZ3 LYS A 59 10.163 -3.671 -15.184 1.00 32.25 H new ATOM 956 N LEU A 60 3.067 -5.764 -14.897 1.00 33.23 N ATOM 957 CA LEU A 60 1.886 -6.620 -14.867 1.00 55.11 C ATOM 958 C LEU A 60 2.197 -7.998 -15.441 1.00 23.54 C ATOM 959 O LEU A 60 2.628 -8.122 -16.587 1.00 52.01 O ATOM 960 CB LEU A 60 0.744 -5.974 -15.654 1.00 13.01 C ATOM 961 CG LEU A 60 0.816 -6.110 -17.175 1.00 73.42 C ATOM 962 CD1 LEU A 60 -0.417 -5.500 -17.825 1.00 22.53 C ATOM 963 CD2 LEU A 60 2.081 -5.456 -17.710 1.00 24.50 C ATOM 0 H LEU A 60 2.904 -4.833 -15.281 1.00 33.23 H new ATOM 0 HA LEU A 60 1.581 -6.740 -13.827 1.00 55.11 H new ATOM 0 HB2 LEU A 60 -0.196 -6.409 -15.315 1.00 13.01 H new ATOM 0 HB3 LEU A 60 0.713 -4.913 -15.405 1.00 13.01 H new ATOM 0 HG LEU A 60 0.846 -7.171 -17.424 1.00 73.42 H new ATOM 0 HD11 LEU A 60 -0.348 -5.606 -18.908 1.00 22.53 H new ATOM 0 HD12 LEU A 60 -1.309 -6.013 -17.466 1.00 22.53 H new ATOM 0 HD13 LEU A 60 -0.479 -4.443 -17.567 1.00 22.53 H new ATOM 0 HD21 LEU A 60 2.115 -5.563 -18.794 1.00 24.50 H new ATOM 0 HD22 LEU A 60 2.082 -4.398 -17.449 1.00 24.50 H new ATOM 0 HD23 LEU A 60 2.954 -5.938 -17.270 1.00 24.50 H new ATOM 975 N SER A 61 1.975 -9.033 -14.636 1.00 0.33 N ATOM 976 CA SER A 61 2.234 -10.403 -15.062 1.00 53.24 C ATOM 977 C SER A 61 0.930 -11.183 -15.203 1.00 23.30 C ATOM 978 O SER A 61 -0.028 -10.947 -14.469 1.00 34.33 O ATOM 979 CB SER A 61 3.157 -11.105 -14.064 1.00 54.32 C ATOM 980 OG SER A 61 4.472 -10.583 -14.132 1.00 2.41 O ATOM 0 H SER A 61 1.616 -8.948 -13.685 1.00 0.33 H new ATOM 0 HA SER A 61 2.724 -10.368 -16.035 1.00 53.24 H new ATOM 0 HB2 SER A 61 2.766 -10.983 -13.054 1.00 54.32 H new ATOM 0 HB3 SER A 61 3.176 -12.175 -14.272 1.00 54.32 H new ATOM 0 HG SER A 61 4.439 -9.605 -14.075 1.00 2.41 H new ATOM 986 N GLU A 62 0.904 -12.114 -16.152 1.00 44.21 N ATOM 987 CA GLU A 62 -0.281 -12.929 -16.390 1.00 12.32 C ATOM 988 C GLU A 62 -0.462 -13.962 -15.282 1.00 32.23 C ATOM 989 O GLU A 62 -1.580 -14.219 -14.833 1.00 13.42 O ATOM 990 CB GLU A 62 -0.181 -13.631 -17.746 1.00 13.33 C ATOM 991 CG GLU A 62 -1.442 -14.384 -18.136 1.00 11.24 C ATOM 992 CD GLU A 62 -1.300 -15.114 -19.457 1.00 54.10 C ATOM 993 OE1 GLU A 62 -0.171 -15.171 -19.986 1.00 2.11 O ATOM 994 OE2 GLU A 62 -2.320 -15.629 -19.962 1.00 12.40 O ATOM 0 H GLU A 62 1.690 -12.322 -16.768 1.00 44.21 H new ATOM 0 HA GLU A 62 -1.149 -12.270 -16.394 1.00 12.32 H new ATOM 0 HB2 GLU A 62 0.042 -12.890 -18.514 1.00 13.33 H new ATOM 0 HB3 GLU A 62 0.656 -14.328 -17.724 1.00 13.33 H new ATOM 0 HG2 GLU A 62 -1.689 -15.101 -17.353 1.00 11.24 H new ATOM 0 HG3 GLU A 62 -2.274 -13.683 -18.200 1.00 11.24 H new ATOM 1001 N LEU A 63 0.645 -14.553 -14.846 1.00 13.05 N ATOM 1002 CA LEU A 63 0.610 -15.559 -13.790 1.00 72.51 C ATOM 1003 C LEU A 63 0.397 -14.911 -12.426 1.00 3.00 C ATOM 1004 O LEU A 63 0.296 -13.689 -12.317 1.00 11.50 O ATOM 1005 CB LEU A 63 1.908 -16.368 -13.786 1.00 62.24 C ATOM 1006 CG LEU A 63 2.038 -17.435 -14.874 1.00 54.13 C ATOM 1007 CD1 LEU A 63 0.867 -18.404 -14.814 1.00 22.15 C ATOM 1008 CD2 LEU A 63 2.125 -16.787 -16.249 1.00 23.35 C ATOM 0 H LEU A 63 1.578 -14.353 -15.207 1.00 13.05 H new ATOM 0 HA LEU A 63 -0.227 -16.228 -13.988 1.00 72.51 H new ATOM 0 HB2 LEU A 63 2.744 -15.676 -13.883 1.00 62.24 H new ATOM 0 HB3 LEU A 63 2.007 -16.854 -12.815 1.00 62.24 H new ATOM 0 HG LEU A 63 2.957 -17.995 -14.699 1.00 54.13 H new ATOM 0 HD11 LEU A 63 0.977 -19.156 -15.595 1.00 22.15 H new ATOM 0 HD12 LEU A 63 0.849 -18.893 -13.840 1.00 22.15 H new ATOM 0 HD13 LEU A 63 -0.065 -17.858 -14.964 1.00 22.15 H new ATOM 0 HD21 LEU A 63 2.217 -17.561 -17.011 1.00 23.35 H new ATOM 0 HD22 LEU A 63 1.224 -16.202 -16.433 1.00 23.35 H new ATOM 0 HD23 LEU A 63 2.996 -16.133 -16.289 1.00 23.35 H new ATOM 1020 N HIS A 64 0.333 -15.738 -11.387 1.00 11.40 N ATOM 1021 CA HIS A 64 0.136 -15.244 -10.029 1.00 35.34 C ATOM 1022 C HIS A 64 -1.064 -14.303 -9.961 1.00 63.42 C ATOM 1023 O HIS A 64 -0.924 -13.091 -9.799 1.00 22.03 O ATOM 1024 CB HIS A 64 1.392 -14.524 -9.537 1.00 73.34 C ATOM 1025 CG HIS A 64 2.624 -15.375 -9.576 1.00 34.30 C ATOM 1026 ND1 HIS A 64 3.871 -14.880 -9.893 1.00 72.03 N ATOM 1027 CD2 HIS A 64 2.795 -16.696 -9.333 1.00 44.21 C ATOM 1028 CE1 HIS A 64 4.756 -15.859 -9.846 1.00 21.43 C ATOM 1029 NE2 HIS A 64 4.129 -16.972 -9.508 1.00 2.35 N ATOM 0 H HIS A 64 0.415 -16.752 -11.460 1.00 11.40 H new ATOM 0 HA HIS A 64 -0.059 -16.100 -9.383 1.00 35.34 H new ATOM 0 HB2 HIS A 64 1.554 -13.636 -10.148 1.00 73.34 H new ATOM 0 HB3 HIS A 64 1.228 -14.183 -8.515 1.00 73.34 H new ATOM 0 HD2 HIS A 64 2.026 -17.401 -9.054 1.00 44.21 H new ATOM 0 HE1 HIS A 64 5.813 -15.766 -10.049 1.00 21.43 H new ATOM 0 HE2 HIS A 64 4.565 -17.887 -9.395 1.00 2.35 H new ATOM 1037 N PRO A 65 -2.271 -14.873 -10.090 1.00 13.25 N ATOM 1038 CA PRO A 65 -3.518 -14.103 -10.047 1.00 30.04 C ATOM 1039 C PRO A 65 -3.815 -13.557 -8.654 1.00 61.50 C ATOM 1040 O PRO A 65 -4.722 -12.746 -8.477 1.00 14.34 O ATOM 1041 CB PRO A 65 -4.580 -15.125 -10.458 1.00 75.32 C ATOM 1042 CG PRO A 65 -3.998 -16.446 -10.091 1.00 24.12 C ATOM 1043 CD PRO A 65 -2.513 -16.312 -10.286 1.00 24.22 C ATOM 0 HA PRO A 65 -3.478 -13.226 -10.693 1.00 30.04 H new ATOM 0 HB2 PRO A 65 -5.521 -14.949 -9.937 1.00 75.32 H new ATOM 0 HB3 PRO A 65 -4.791 -15.069 -11.526 1.00 75.32 H new ATOM 0 HG2 PRO A 65 -4.234 -16.703 -9.059 1.00 24.12 H new ATOM 0 HG3 PRO A 65 -4.404 -17.239 -10.718 1.00 24.12 H new ATOM 0 HD2 PRO A 65 -1.957 -16.914 -9.567 1.00 24.22 H new ATOM 0 HD3 PRO A 65 -2.207 -16.639 -11.280 1.00 24.22 H new ATOM 1051 N GLU A 66 -3.044 -14.009 -7.670 1.00 4.32 N ATOM 1052 CA GLU A 66 -3.226 -13.565 -6.293 1.00 4.12 C ATOM 1053 C GLU A 66 -3.006 -12.060 -6.173 1.00 5.43 C ATOM 1054 O GLU A 66 -3.580 -11.406 -5.303 1.00 24.05 O ATOM 1055 CB GLU A 66 -2.264 -14.308 -5.363 1.00 12.33 C ATOM 1056 CG GLU A 66 -2.799 -14.486 -3.952 1.00 24.44 C ATOM 1057 CD GLU A 66 -1.703 -14.779 -2.945 1.00 64.34 C ATOM 1058 OE1 GLU A 66 -0.887 -13.873 -2.675 1.00 32.32 O ATOM 1059 OE2 GLU A 66 -1.661 -15.916 -2.428 1.00 50.55 O ATOM 0 H GLU A 66 -2.288 -14.682 -7.800 1.00 4.32 H new ATOM 0 HA GLU A 66 -4.251 -13.789 -5.998 1.00 4.12 H new ATOM 0 HB2 GLU A 66 -2.047 -15.288 -5.787 1.00 12.33 H new ATOM 0 HB3 GLU A 66 -1.321 -13.763 -5.319 1.00 12.33 H new ATOM 0 HG2 GLU A 66 -3.331 -13.583 -3.652 1.00 24.44 H new ATOM 0 HG3 GLU A 66 -3.523 -15.300 -3.942 1.00 24.44 H new ATOM 1066 N GLU A 67 -2.170 -11.518 -7.053 1.00 5.41 N ATOM 1067 CA GLU A 67 -1.872 -10.090 -7.044 1.00 75.04 C ATOM 1068 C GLU A 67 -3.085 -9.279 -7.492 1.00 34.22 C ATOM 1069 O GLU A 67 -3.373 -8.217 -6.940 1.00 40.10 O ATOM 1070 CB GLU A 67 -0.680 -9.789 -7.955 1.00 32.20 C ATOM 1071 CG GLU A 67 -0.939 -10.100 -9.420 1.00 12.14 C ATOM 1072 CD GLU A 67 0.328 -10.450 -10.175 1.00 23.24 C ATOM 1073 OE1 GLU A 67 1.407 -9.958 -9.782 1.00 61.21 O ATOM 1074 OE2 GLU A 67 0.242 -11.216 -11.157 1.00 51.54 O ATOM 0 H GLU A 67 -1.687 -12.045 -7.781 1.00 5.41 H new ATOM 0 HA GLU A 67 -1.621 -9.804 -6.023 1.00 75.04 H new ATOM 0 HB2 GLU A 67 -0.416 -8.736 -7.857 1.00 32.20 H new ATOM 0 HB3 GLU A 67 0.180 -10.366 -7.616 1.00 32.20 H new ATOM 0 HG2 GLU A 67 -1.642 -10.930 -9.493 1.00 12.14 H new ATOM 0 HG3 GLU A 67 -1.413 -9.239 -9.892 1.00 12.14 H new ATOM 1081 N ARG A 68 -3.792 -9.788 -8.495 1.00 74.24 N ATOM 1082 CA ARG A 68 -4.973 -9.111 -9.019 1.00 21.33 C ATOM 1083 C ARG A 68 -5.957 -8.790 -7.898 1.00 32.43 C ATOM 1084 O ARG A 68 -6.363 -7.641 -7.723 1.00 21.22 O ATOM 1085 CB ARG A 68 -5.656 -9.977 -10.079 1.00 23.42 C ATOM 1086 CG ARG A 68 -5.722 -9.323 -11.449 1.00 74.22 C ATOM 1087 CD ARG A 68 -4.713 -9.935 -12.408 1.00 52.12 C ATOM 1088 NE ARG A 68 -3.349 -9.503 -12.116 1.00 21.43 N ATOM 1089 CZ ARG A 68 -2.367 -9.513 -13.011 1.00 33.04 C ATOM 1090 NH1 ARG A 68 -2.598 -9.929 -14.248 1.00 61.50 N ATOM 1091 NH2 ARG A 68 -1.152 -9.105 -12.668 1.00 41.14 N ATOM 0 H ARG A 68 -3.568 -10.667 -8.962 1.00 74.24 H new ATOM 0 HA ARG A 68 -4.651 -8.175 -9.477 1.00 21.33 H new ATOM 0 HB2 ARG A 68 -5.121 -10.923 -10.163 1.00 23.42 H new ATOM 0 HB3 ARG A 68 -6.668 -10.211 -9.748 1.00 23.42 H new ATOM 0 HG2 ARG A 68 -6.727 -9.433 -11.858 1.00 74.22 H new ATOM 0 HG3 ARG A 68 -5.532 -8.254 -11.353 1.00 74.22 H new ATOM 0 HD2 ARG A 68 -4.770 -11.022 -12.349 1.00 52.12 H new ATOM 0 HD3 ARG A 68 -4.970 -9.658 -13.430 1.00 52.12 H new ATOM 0 HE ARG A 68 -3.139 -9.176 -11.173 1.00 21.43 H new ATOM 0 HH11 ARG A 68 -3.531 -10.242 -14.515 1.00 61.50 H new ATOM 0 HH12 ARG A 68 -1.842 -9.936 -14.933 1.00 61.50 H new ATOM 0 HH21 ARG A 68 -0.972 -8.784 -11.717 1.00 41.14 H new ATOM 0 HH22 ARG A 68 -0.398 -9.113 -13.355 1.00 41.14 H new ATOM 1105 N LYS A 69 -6.338 -9.814 -7.141 1.00 0.23 N ATOM 1106 CA LYS A 69 -7.274 -9.642 -6.036 1.00 21.41 C ATOM 1107 C LYS A 69 -6.648 -8.818 -4.915 1.00 62.53 C ATOM 1108 O LYS A 69 -7.320 -8.009 -4.276 1.00 44.41 O ATOM 1109 CB LYS A 69 -7.713 -11.006 -5.497 1.00 15.53 C ATOM 1110 CG LYS A 69 -6.556 -11.896 -5.079 1.00 73.42 C ATOM 1111 CD LYS A 69 -7.033 -13.287 -4.696 1.00 34.14 C ATOM 1112 CE LYS A 69 -7.675 -14.001 -5.875 1.00 61.43 C ATOM 1113 NZ LYS A 69 -6.780 -14.021 -7.065 1.00 64.51 N ATOM 0 H LYS A 69 -6.013 -10.772 -7.273 1.00 0.23 H new ATOM 0 HA LYS A 69 -8.147 -9.107 -6.411 1.00 21.41 H new ATOM 0 HB2 LYS A 69 -8.371 -10.854 -4.642 1.00 15.53 H new ATOM 0 HB3 LYS A 69 -8.297 -11.519 -6.262 1.00 15.53 H new ATOM 0 HG2 LYS A 69 -5.838 -11.969 -5.896 1.00 73.42 H new ATOM 0 HG3 LYS A 69 -6.034 -11.444 -4.235 1.00 73.42 H new ATOM 0 HD2 LYS A 69 -6.191 -13.873 -4.329 1.00 34.14 H new ATOM 0 HD3 LYS A 69 -7.751 -13.214 -3.879 1.00 34.14 H new ATOM 0 HE2 LYS A 69 -7.923 -15.023 -5.589 1.00 61.43 H new ATOM 0 HE3 LYS A 69 -8.611 -13.506 -6.133 1.00 61.43 H new ATOM 0 HZ1 LYS A 69 -7.290 -14.425 -7.876 1.00 64.51 H new ATOM 0 HZ2 LYS A 69 -6.482 -13.051 -7.292 1.00 64.51 H new ATOM 0 HZ3 LYS A 69 -5.942 -14.601 -6.859 1.00 64.51 H new ATOM 1127 N LYS A 70 -5.357 -9.029 -4.683 1.00 23.13 N ATOM 1128 CA LYS A 70 -4.638 -8.304 -3.641 1.00 72.33 C ATOM 1129 C LYS A 70 -4.703 -6.800 -3.882 1.00 12.50 C ATOM 1130 O LYS A 70 -5.101 -6.037 -3.002 1.00 13.54 O ATOM 1131 CB LYS A 70 -3.178 -8.760 -3.588 1.00 73.54 C ATOM 1132 CG LYS A 70 -2.306 -7.904 -2.688 1.00 4.53 C ATOM 1133 CD LYS A 70 -1.113 -8.683 -2.161 1.00 65.44 C ATOM 1134 CE LYS A 70 -1.518 -9.640 -1.051 1.00 31.41 C ATOM 1135 NZ LYS A 70 -0.567 -10.779 -0.925 1.00 70.43 N ATOM 0 H LYS A 70 -4.787 -9.696 -5.202 1.00 23.13 H new ATOM 0 HA LYS A 70 -5.115 -8.523 -2.686 1.00 72.33 H new ATOM 0 HB2 LYS A 70 -3.141 -9.792 -3.240 1.00 73.54 H new ATOM 0 HB3 LYS A 70 -2.766 -8.748 -4.597 1.00 73.54 H new ATOM 0 HG2 LYS A 70 -1.957 -7.032 -3.241 1.00 4.53 H new ATOM 0 HG3 LYS A 70 -2.898 -7.534 -1.851 1.00 4.53 H new ATOM 0 HD2 LYS A 70 -0.654 -9.243 -2.976 1.00 65.44 H new ATOM 0 HD3 LYS A 70 -0.360 -7.989 -1.788 1.00 65.44 H new ATOM 0 HE2 LYS A 70 -1.565 -9.100 -0.105 1.00 31.41 H new ATOM 0 HE3 LYS A 70 -2.519 -10.023 -1.249 1.00 31.41 H new ATOM 0 HZ1 LYS A 70 -0.878 -11.408 -0.158 1.00 70.43 H new ATOM 0 HZ2 LYS A 70 -0.541 -11.310 -1.819 1.00 70.43 H new ATOM 0 HZ3 LYS A 70 0.383 -10.416 -0.710 1.00 70.43 H new ATOM 1149 N VAL A 71 -4.311 -6.379 -5.080 1.00 42.24 N ATOM 1150 CA VAL A 71 -4.327 -4.965 -5.438 1.00 32.44 C ATOM 1151 C VAL A 71 -5.754 -4.436 -5.521 1.00 75.24 C ATOM 1152 O VAL A 71 -6.015 -3.273 -5.213 1.00 72.14 O ATOM 1153 CB VAL A 71 -3.620 -4.718 -6.783 1.00 61.33 C ATOM 1154 CG1 VAL A 71 -2.199 -5.261 -6.748 1.00 34.13 C ATOM 1155 CG2 VAL A 71 -4.410 -5.344 -7.923 1.00 11.12 C ATOM 0 H VAL A 71 -3.978 -6.997 -5.820 1.00 42.24 H new ATOM 0 HA VAL A 71 -3.791 -4.433 -4.652 1.00 32.44 H new ATOM 0 HB VAL A 71 -3.568 -3.643 -6.954 1.00 61.33 H new ATOM 0 HG11 VAL A 71 -1.715 -5.077 -7.707 1.00 34.13 H new ATOM 0 HG12 VAL A 71 -1.638 -4.762 -5.958 1.00 34.13 H new ATOM 0 HG13 VAL A 71 -2.224 -6.333 -6.554 1.00 34.13 H new ATOM 0 HG21 VAL A 71 -3.896 -5.160 -8.866 1.00 11.12 H new ATOM 0 HG22 VAL A 71 -4.495 -6.418 -7.760 1.00 11.12 H new ATOM 0 HG23 VAL A 71 -5.406 -4.903 -7.961 1.00 11.12 H new ATOM 1165 N ARG A 72 -6.676 -5.298 -5.940 1.00 4.02 N ATOM 1166 CA ARG A 72 -8.077 -4.917 -6.065 1.00 33.21 C ATOM 1167 C ARG A 72 -8.637 -4.455 -4.723 1.00 30.02 C ATOM 1168 O ARG A 72 -9.249 -3.392 -4.628 1.00 40.33 O ATOM 1169 CB ARG A 72 -8.901 -6.092 -6.596 1.00 54.51 C ATOM 1170 CG ARG A 72 -8.955 -6.161 -8.113 1.00 52.15 C ATOM 1171 CD ARG A 72 -9.692 -4.967 -8.700 1.00 45.30 C ATOM 1172 NE ARG A 72 -11.019 -4.801 -8.115 1.00 33.12 N ATOM 1173 CZ ARG A 72 -12.051 -5.587 -8.400 1.00 34.30 C ATOM 1174 NH1 ARG A 72 -11.909 -6.589 -9.257 1.00 52.54 N ATOM 1175 NH2 ARG A 72 -13.229 -5.373 -7.826 1.00 44.05 N ATOM 0 H ARG A 72 -6.477 -6.264 -6.198 1.00 4.02 H new ATOM 0 HA ARG A 72 -8.141 -4.088 -6.770 1.00 33.21 H new ATOM 0 HB2 ARG A 72 -8.481 -7.022 -6.213 1.00 54.51 H new ATOM 0 HB3 ARG A 72 -9.917 -6.017 -6.208 1.00 54.51 H new ATOM 0 HG2 ARG A 72 -7.942 -6.197 -8.513 1.00 52.15 H new ATOM 0 HG3 ARG A 72 -9.451 -7.082 -8.419 1.00 52.15 H new ATOM 0 HD2 ARG A 72 -9.107 -4.062 -8.534 1.00 45.30 H new ATOM 0 HD3 ARG A 72 -9.785 -5.093 -9.779 1.00 45.30 H new ATOM 0 HE ARG A 72 -11.162 -4.040 -7.451 1.00 33.12 H new ATOM 0 HH11 ARG A 72 -11.005 -6.758 -9.699 1.00 52.54 H new ATOM 0 HH12 ARG A 72 -12.703 -7.191 -9.474 1.00 52.54 H new ATOM 0 HH21 ARG A 72 -13.342 -4.604 -7.165 1.00 44.05 H new ATOM 0 HH22 ARG A 72 -14.021 -5.977 -8.046 1.00 44.05 H new ATOM 1189 N GLU A 73 -8.423 -5.262 -3.688 1.00 62.24 N ATOM 1190 CA GLU A 73 -8.907 -4.936 -2.352 1.00 54.34 C ATOM 1191 C GLU A 73 -8.101 -3.791 -1.746 1.00 30.03 C ATOM 1192 O GLU A 73 -8.645 -2.932 -1.051 1.00 73.51 O ATOM 1193 CB GLU A 73 -8.832 -6.165 -1.444 1.00 11.30 C ATOM 1194 CG GLU A 73 -7.424 -6.708 -1.270 1.00 43.14 C ATOM 1195 CD GLU A 73 -7.374 -7.919 -0.359 1.00 4.30 C ATOM 1196 OE1 GLU A 73 -7.686 -7.770 0.841 1.00 31.41 O ATOM 1197 OE2 GLU A 73 -7.022 -9.014 -0.845 1.00 51.20 O ATOM 0 H GLU A 73 -7.918 -6.146 -3.750 1.00 62.24 H new ATOM 0 HA GLU A 73 -9.947 -4.620 -2.437 1.00 54.34 H new ATOM 0 HB2 GLU A 73 -9.237 -5.908 -0.465 1.00 11.30 H new ATOM 0 HB3 GLU A 73 -9.467 -6.950 -1.856 1.00 11.30 H new ATOM 0 HG2 GLU A 73 -7.019 -6.975 -2.246 1.00 43.14 H new ATOM 0 HG3 GLU A 73 -6.784 -5.925 -0.863 1.00 43.14 H new ATOM 1204 N LYS A 74 -6.799 -3.786 -2.013 1.00 15.33 N ATOM 1205 CA LYS A 74 -5.916 -2.748 -1.495 1.00 40.31 C ATOM 1206 C LYS A 74 -6.350 -1.370 -1.985 1.00 12.25 C ATOM 1207 O LYS A 74 -6.533 -0.447 -1.190 1.00 72.12 O ATOM 1208 CB LYS A 74 -4.471 -3.020 -1.921 1.00 14.14 C ATOM 1209 CG LYS A 74 -3.446 -2.659 -0.859 1.00 54.44 C ATOM 1210 CD LYS A 74 -3.568 -1.204 -0.439 1.00 14.42 C ATOM 1211 CE LYS A 74 -3.223 -0.262 -1.582 1.00 61.02 C ATOM 1212 NZ LYS A 74 -2.114 0.664 -1.222 1.00 43.03 N ATOM 0 H LYS A 74 -6.332 -4.490 -2.585 1.00 15.33 H new ATOM 0 HA LYS A 74 -5.977 -2.764 -0.407 1.00 40.31 H new ATOM 0 HB2 LYS A 74 -4.367 -4.076 -2.170 1.00 14.14 H new ATOM 0 HB3 LYS A 74 -4.256 -2.456 -2.828 1.00 14.14 H new ATOM 0 HG2 LYS A 74 -3.580 -3.302 0.011 1.00 54.44 H new ATOM 0 HG3 LYS A 74 -2.443 -2.845 -1.242 1.00 54.44 H new ATOM 0 HD2 LYS A 74 -4.584 -1.007 -0.098 1.00 14.42 H new ATOM 0 HD3 LYS A 74 -2.906 -1.011 0.405 1.00 14.42 H new ATOM 0 HE2 LYS A 74 -2.940 -0.844 -2.459 1.00 61.02 H new ATOM 0 HE3 LYS A 74 -4.105 0.317 -1.855 1.00 61.02 H new ATOM 0 HZ1 LYS A 74 -1.565 0.897 -2.074 1.00 43.03 H new ATOM 0 HZ2 LYS A 74 -2.508 1.536 -0.815 1.00 43.03 H new ATOM 0 HZ3 LYS A 74 -1.493 0.207 -0.525 1.00 43.03 H new ATOM 1226 N PHE A 75 -6.515 -1.238 -3.297 1.00 3.34 N ATOM 1227 CA PHE A 75 -6.928 0.028 -3.892 1.00 32.24 C ATOM 1228 C PHE A 75 -8.385 0.335 -3.559 1.00 34.21 C ATOM 1229 O PHE A 75 -8.760 1.493 -3.373 1.00 72.31 O ATOM 1230 CB PHE A 75 -6.737 -0.011 -5.409 1.00 72.32 C ATOM 1231 CG PHE A 75 -8.028 -0.070 -6.175 1.00 12.14 C ATOM 1232 CD1 PHE A 75 -8.675 1.094 -6.558 1.00 30.10 C ATOM 1233 CD2 PHE A 75 -8.595 -1.289 -6.510 1.00 52.23 C ATOM 1234 CE1 PHE A 75 -9.863 1.044 -7.263 1.00 30.43 C ATOM 1235 CE2 PHE A 75 -9.783 -1.345 -7.215 1.00 64.32 C ATOM 1236 CZ PHE A 75 -10.418 -0.178 -7.591 1.00 0.22 C ATOM 0 H PHE A 75 -6.369 -1.992 -3.968 1.00 3.34 H new ATOM 0 HA PHE A 75 -6.304 0.818 -3.475 1.00 32.24 H new ATOM 0 HB2 PHE A 75 -6.180 0.873 -5.720 1.00 72.32 H new ATOM 0 HB3 PHE A 75 -6.130 -0.878 -5.668 1.00 72.32 H new ATOM 0 HD1 PHE A 75 -8.246 2.052 -6.303 1.00 30.10 H new ATOM 0 HD2 PHE A 75 -8.104 -2.205 -6.217 1.00 52.23 H new ATOM 0 HE1 PHE A 75 -10.356 1.959 -7.557 1.00 30.43 H new ATOM 0 HE2 PHE A 75 -10.214 -2.301 -7.472 1.00 64.32 H new ATOM 0 HZ PHE A 75 -11.347 -0.220 -8.140 1.00 0.22 H new ATOM 1246 N ASP A 76 -9.202 -0.710 -3.486 1.00 71.31 N ATOM 1247 CA ASP A 76 -10.618 -0.554 -3.176 1.00 13.15 C ATOM 1248 C ASP A 76 -10.806 0.078 -1.800 1.00 54.40 C ATOM 1249 O ASP A 76 -11.554 1.044 -1.648 1.00 32.53 O ATOM 1250 CB ASP A 76 -11.327 -1.908 -3.229 1.00 63.41 C ATOM 1251 CG ASP A 76 -12.704 -1.867 -2.597 1.00 52.34 C ATOM 1252 OD1 ASP A 76 -13.567 -1.119 -3.104 1.00 12.13 O ATOM 1253 OD2 ASP A 76 -12.920 -2.582 -1.597 1.00 62.43 O ATOM 0 H ASP A 76 -8.908 -1.675 -3.637 1.00 71.31 H new ATOM 0 HA ASP A 76 -11.057 0.106 -3.924 1.00 13.15 H new ATOM 0 HB2 ASP A 76 -11.417 -2.227 -4.267 1.00 63.41 H new ATOM 0 HB3 ASP A 76 -10.718 -2.654 -2.718 1.00 63.41 H new ATOM 1258 N GLU A 77 -10.123 -0.474 -0.802 1.00 52.41 N ATOM 1259 CA GLU A 77 -10.217 0.036 0.561 1.00 73.01 C ATOM 1260 C GLU A 77 -9.544 1.400 0.679 1.00 11.34 C ATOM 1261 O GLU A 77 -10.123 2.345 1.214 1.00 4.20 O ATOM 1262 CB GLU A 77 -9.577 -0.948 1.542 1.00 1.13 C ATOM 1263 CG GLU A 77 -10.408 -2.197 1.781 1.00 33.14 C ATOM 1264 CD GLU A 77 -9.986 -2.949 3.029 1.00 52.31 C ATOM 1265 OE1 GLU A 77 -8.896 -2.652 3.561 1.00 73.01 O ATOM 1266 OE2 GLU A 77 -10.747 -3.834 3.473 1.00 11.02 O ATOM 0 H GLU A 77 -9.499 -1.274 -0.912 1.00 52.41 H new ATOM 0 HA GLU A 77 -11.273 0.149 0.808 1.00 73.01 H new ATOM 0 HB2 GLU A 77 -8.598 -1.240 1.163 1.00 1.13 H new ATOM 0 HB3 GLU A 77 -9.413 -0.444 2.494 1.00 1.13 H new ATOM 0 HG2 GLU A 77 -11.458 -1.919 1.867 1.00 33.14 H new ATOM 0 HG3 GLU A 77 -10.322 -2.857 0.917 1.00 33.14 H new ATOM 1273 N ASN A 78 -8.317 1.494 0.177 1.00 73.23 N ATOM 1274 CA ASN A 78 -7.564 2.742 0.227 1.00 62.52 C ATOM 1275 C ASN A 78 -8.350 3.878 -0.420 1.00 62.01 C ATOM 1276 O ASN A 78 -8.245 5.033 -0.006 1.00 75.35 O ATOM 1277 CB ASN A 78 -6.215 2.575 -0.475 1.00 44.43 C ATOM 1278 CG ASN A 78 -5.349 3.816 -0.365 1.00 71.35 C ATOM 1279 OD1 ASN A 78 -5.103 4.504 -1.356 1.00 3.00 O ATOM 1280 ND2 ASN A 78 -4.883 4.106 0.843 1.00 3.45 N ATOM 0 H ASN A 78 -7.823 0.721 -0.269 1.00 73.23 H new ATOM 0 HA ASN A 78 -7.393 2.993 1.274 1.00 62.52 H new ATOM 0 HB2 ASN A 78 -5.686 1.726 -0.042 1.00 44.43 H new ATOM 0 HB3 ASN A 78 -6.382 2.344 -1.527 1.00 44.43 H new ATOM 0 HD21 ASN A 78 -4.295 4.928 0.979 1.00 3.45 H new ATOM 0 HD22 ASN A 78 -5.113 3.507 1.636 1.00 3.45 H new ATOM 1287 N SER A 79 -9.137 3.542 -1.437 1.00 20.10 N ATOM 1288 CA SER A 79 -9.939 4.534 -2.144 1.00 4.15 C ATOM 1289 C SER A 79 -11.178 4.907 -1.335 1.00 62.23 C ATOM 1290 O SER A 79 -11.524 6.082 -1.216 1.00 51.20 O ATOM 1291 CB SER A 79 -10.353 4.002 -3.517 1.00 4.21 C ATOM 1292 OG SER A 79 -9.260 4.014 -4.419 1.00 23.41 O ATOM 0 H SER A 79 -9.236 2.590 -1.790 1.00 20.10 H new ATOM 0 HA SER A 79 -9.331 5.429 -2.278 1.00 4.15 H new ATOM 0 HB2 SER A 79 -10.735 2.986 -3.417 1.00 4.21 H new ATOM 0 HB3 SER A 79 -11.165 4.610 -3.916 1.00 4.21 H new ATOM 0 HG SER A 79 -8.752 3.181 -4.329 1.00 23.41 H new ATOM 1298 N ARG A 80 -11.842 3.897 -0.782 1.00 45.02 N ATOM 1299 CA ARG A 80 -13.043 4.117 0.014 1.00 41.21 C ATOM 1300 C ARG A 80 -12.689 4.671 1.391 1.00 43.53 C ATOM 1301 O ARG A 80 -13.567 5.075 2.153 1.00 42.34 O ATOM 1302 CB ARG A 80 -13.827 2.812 0.164 1.00 53.41 C ATOM 1303 CG ARG A 80 -13.344 1.940 1.311 1.00 74.11 C ATOM 1304 CD ARG A 80 -14.243 2.074 2.530 1.00 55.50 C ATOM 1305 NE ARG A 80 -14.315 0.834 3.297 1.00 73.43 N ATOM 1306 CZ ARG A 80 -14.761 0.767 4.546 1.00 21.43 C ATOM 1307 NH1 ARG A 80 -15.173 1.864 5.167 1.00 65.24 N ATOM 1308 NH2 ARG A 80 -14.796 -0.400 5.178 1.00 41.21 N ATOM 0 H ARG A 80 -11.568 2.918 -0.871 1.00 45.02 H new ATOM 0 HA ARG A 80 -13.663 4.848 -0.504 1.00 41.21 H new ATOM 0 HB2 ARG A 80 -14.881 3.046 0.316 1.00 53.41 H new ATOM 0 HB3 ARG A 80 -13.757 2.247 -0.765 1.00 53.41 H new ATOM 0 HG2 ARG A 80 -13.316 0.898 0.991 1.00 74.11 H new ATOM 0 HG3 ARG A 80 -12.324 2.219 1.577 1.00 74.11 H new ATOM 0 HD2 ARG A 80 -13.870 2.874 3.169 1.00 55.50 H new ATOM 0 HD3 ARG A 80 -15.245 2.362 2.211 1.00 55.50 H new ATOM 0 HE ARG A 80 -14.006 -0.028 2.849 1.00 73.43 H new ATOM 0 HH11 ARG A 80 -15.148 2.763 4.685 1.00 65.24 H new ATOM 0 HH12 ARG A 80 -15.515 1.809 6.126 1.00 65.24 H new ATOM 0 HH21 ARG A 80 -14.480 -1.246 4.704 1.00 41.21 H new ATOM 0 HH22 ARG A 80 -15.139 -0.450 6.137 1.00 41.21 H new ATOM 1322 N MET A 81 -11.397 4.687 1.702 1.00 21.34 N ATOM 1323 CA MET A 81 -10.927 5.192 2.987 1.00 30.12 C ATOM 1324 C MET A 81 -11.643 6.487 3.357 1.00 43.45 C ATOM 1325 O MET A 81 -12.123 7.211 2.485 1.00 71.02 O ATOM 1326 CB MET A 81 -9.415 5.424 2.946 1.00 15.40 C ATOM 1327 CG MET A 81 -8.603 4.220 3.392 1.00 21.31 C ATOM 1328 SD MET A 81 -8.613 3.999 5.182 1.00 73.14 S ATOM 1329 CE MET A 81 -9.336 2.366 5.317 1.00 70.40 C ATOM 0 H MET A 81 -10.657 4.356 1.082 1.00 21.34 H new ATOM 0 HA MET A 81 -11.152 4.444 3.747 1.00 30.12 H new ATOM 0 HB2 MET A 81 -9.124 5.692 1.930 1.00 15.40 H new ATOM 0 HB3 MET A 81 -9.169 6.274 3.583 1.00 15.40 H new ATOM 0 HG2 MET A 81 -9.000 3.323 2.917 1.00 21.31 H new ATOM 0 HG3 MET A 81 -7.574 4.333 3.050 1.00 21.31 H new ATOM 0 HE1 MET A 81 -9.409 2.086 6.368 1.00 70.40 H new ATOM 0 HE2 MET A 81 -10.331 2.371 4.873 1.00 70.40 H new ATOM 0 HE3 MET A 81 -8.708 1.646 4.792 1.00 70.40 H new ATOM 1339 N GLN A 82 -11.709 6.772 4.653 1.00 55.40 N ATOM 1340 CA GLN A 82 -12.368 7.981 5.136 1.00 23.50 C ATOM 1341 C GLN A 82 -11.592 9.226 4.721 1.00 50.22 C ATOM 1342 O GLN A 82 -10.374 9.182 4.547 1.00 2.15 O ATOM 1343 CB GLN A 82 -12.508 7.936 6.659 1.00 44.43 C ATOM 1344 CG GLN A 82 -13.352 6.775 7.159 1.00 44.14 C ATOM 1345 CD GLN A 82 -13.712 6.905 8.625 1.00 34.23 C ATOM 1346 OE1 GLN A 82 -14.450 7.810 9.017 1.00 24.25 O ATOM 1347 NE2 GLN A 82 -13.194 5.998 9.445 1.00 5.33 N ATOM 0 H GLN A 82 -11.315 6.184 5.387 1.00 55.40 H new ATOM 0 HA GLN A 82 -13.361 8.028 4.688 1.00 23.50 H new ATOM 0 HB2 GLN A 82 -11.515 7.871 7.105 1.00 44.43 H new ATOM 0 HB3 GLN A 82 -12.951 8.871 7.002 1.00 44.43 H new ATOM 0 HG2 GLN A 82 -14.266 6.714 6.568 1.00 44.14 H new ATOM 0 HG3 GLN A 82 -12.809 5.843 7.003 1.00 44.14 H new ATOM 0 HE21 GLN A 82 -12.587 5.265 9.077 1.00 5.33 H new ATOM 0 HE22 GLN A 82 -13.403 6.034 10.443 1.00 5.33 H new ATOM 1356 N TYR A 83 -12.305 10.336 4.562 1.00 32.44 N ATOM 1357 CA TYR A 83 -11.684 11.593 4.165 1.00 51.34 C ATOM 1358 C TYR A 83 -10.498 11.924 5.065 1.00 11.14 C ATOM 1359 O TYR A 83 -9.500 12.487 4.615 1.00 13.34 O ATOM 1360 CB TYR A 83 -12.707 12.729 4.212 1.00 14.21 C ATOM 1361 CG TYR A 83 -12.812 13.505 2.918 1.00 30.52 C ATOM 1362 CD1 TYR A 83 -11.675 13.848 2.197 1.00 24.25 C ATOM 1363 CD2 TYR A 83 -14.048 13.895 2.417 1.00 64.31 C ATOM 1364 CE1 TYR A 83 -11.765 14.557 1.015 1.00 31.32 C ATOM 1365 CE2 TYR A 83 -14.148 14.602 1.235 1.00 43.42 C ATOM 1366 CZ TYR A 83 -13.004 14.931 0.538 1.00 42.22 C ATOM 1367 OH TYR A 83 -13.099 15.637 -0.639 1.00 52.44 O ATOM 0 H TYR A 83 -13.314 10.390 4.702 1.00 32.44 H new ATOM 0 HA TYR A 83 -11.321 11.482 3.143 1.00 51.34 H new ATOM 0 HB2 TYR A 83 -13.685 12.316 4.458 1.00 14.21 H new ATOM 0 HB3 TYR A 83 -12.439 13.415 5.016 1.00 14.21 H new ATOM 0 HD1 TYR A 83 -10.704 13.555 2.567 1.00 24.25 H new ATOM 0 HD2 TYR A 83 -14.946 13.641 2.961 1.00 64.31 H new ATOM 0 HE1 TYR A 83 -10.871 14.817 0.468 1.00 31.32 H new ATOM 0 HE2 TYR A 83 -15.117 14.896 0.858 1.00 43.42 H new ATOM 0 HH TYR A 83 -13.451 15.053 -1.343 1.00 52.44 H new ATOM 1377 N SER A 84 -10.615 11.569 6.341 1.00 52.10 N ATOM 1378 CA SER A 84 -9.555 11.830 7.308 1.00 50.35 C ATOM 1379 C SER A 84 -8.259 11.140 6.892 1.00 33.05 C ATOM 1380 O SER A 84 -7.207 11.772 6.810 1.00 64.33 O ATOM 1381 CB SER A 84 -9.976 11.355 8.699 1.00 33.23 C ATOM 1382 OG SER A 84 -11.351 11.608 8.930 1.00 33.11 O ATOM 0 H SER A 84 -11.433 11.100 6.729 1.00 52.10 H new ATOM 0 HA SER A 84 -9.380 12.906 7.338 1.00 50.35 H new ATOM 0 HB2 SER A 84 -9.778 10.288 8.798 1.00 33.23 H new ATOM 0 HB3 SER A 84 -9.378 11.862 9.456 1.00 33.23 H new ATOM 0 HG SER A 84 -11.596 11.294 9.825 1.00 33.11 H new ATOM 1388 N GLU A 85 -8.346 9.839 6.633 1.00 50.11 N ATOM 1389 CA GLU A 85 -7.180 9.062 6.227 1.00 15.43 C ATOM 1390 C GLU A 85 -6.683 9.504 4.854 1.00 52.40 C ATOM 1391 O GLU A 85 -5.481 9.505 4.587 1.00 23.20 O ATOM 1392 CB GLU A 85 -7.517 7.570 6.204 1.00 74.02 C ATOM 1393 CG GLU A 85 -6.395 6.684 6.717 1.00 5.31 C ATOM 1394 CD GLU A 85 -6.891 5.591 7.643 1.00 61.32 C ATOM 1395 OE1 GLU A 85 -7.746 5.884 8.504 1.00 3.43 O ATOM 1396 OE2 GLU A 85 -6.424 4.440 7.505 1.00 51.50 O ATOM 0 H GLU A 85 -9.210 9.301 6.697 1.00 50.11 H new ATOM 0 HA GLU A 85 -6.387 9.237 6.954 1.00 15.43 H new ATOM 0 HB2 GLU A 85 -8.409 7.398 6.807 1.00 74.02 H new ATOM 0 HB3 GLU A 85 -7.762 7.277 5.183 1.00 74.02 H new ATOM 0 HG2 GLU A 85 -5.879 6.231 5.870 1.00 5.31 H new ATOM 0 HG3 GLU A 85 -5.665 7.298 7.244 1.00 5.31 H new ATOM 1403 N LEU A 86 -7.616 9.879 3.986 1.00 14.51 N ATOM 1404 CA LEU A 86 -7.274 10.324 2.639 1.00 34.43 C ATOM 1405 C LEU A 86 -6.516 11.647 2.678 1.00 31.52 C ATOM 1406 O LEU A 86 -5.585 11.863 1.903 1.00 74.43 O ATOM 1407 CB LEU A 86 -8.540 10.473 1.794 1.00 73.05 C ATOM 1408 CG LEU A 86 -8.472 9.901 0.377 1.00 35.11 C ATOM 1409 CD1 LEU A 86 -7.317 10.520 -0.394 1.00 54.41 C ATOM 1410 CD2 LEU A 86 -8.336 8.386 0.420 1.00 71.12 C ATOM 0 H LEU A 86 -8.615 9.884 4.191 1.00 14.51 H new ATOM 0 HA LEU A 86 -6.629 9.571 2.187 1.00 34.43 H new ATOM 0 HB2 LEU A 86 -9.363 9.990 2.320 1.00 73.05 H new ATOM 0 HB3 LEU A 86 -8.784 11.533 1.725 1.00 73.05 H new ATOM 0 HG LEU A 86 -9.400 10.148 -0.139 1.00 35.11 H new ATOM 0 HD11 LEU A 86 -7.285 10.101 -1.400 1.00 54.41 H new ATOM 0 HD12 LEU A 86 -7.457 11.599 -0.455 1.00 54.41 H new ATOM 0 HD13 LEU A 86 -6.380 10.304 0.119 1.00 54.41 H new ATOM 0 HD21 LEU A 86 -8.289 7.996 -0.597 1.00 71.12 H new ATOM 0 HD22 LEU A 86 -7.425 8.118 0.954 1.00 71.12 H new ATOM 0 HD23 LEU A 86 -9.197 7.958 0.933 1.00 71.12 H new ATOM 1422 N MET A 87 -6.920 12.527 3.588 1.00 43.41 N ATOM 1423 CA MET A 87 -6.276 13.828 3.730 1.00 24.01 C ATOM 1424 C MET A 87 -5.018 13.721 4.587 1.00 13.13 C ATOM 1425 O MET A 87 -4.080 14.503 4.432 1.00 2.42 O ATOM 1426 CB MET A 87 -7.245 14.836 4.350 1.00 52.23 C ATOM 1427 CG MET A 87 -7.725 15.897 3.373 1.00 42.41 C ATOM 1428 SD MET A 87 -8.505 15.192 1.908 1.00 21.24 S ATOM 1429 CE MET A 87 -7.324 15.650 0.642 1.00 54.12 C ATOM 0 H MET A 87 -7.689 12.363 4.237 1.00 43.41 H new ATOM 0 HA MET A 87 -5.990 14.174 2.737 1.00 24.01 H new ATOM 0 HB2 MET A 87 -8.108 14.301 4.746 1.00 52.23 H new ATOM 0 HB3 MET A 87 -6.758 15.324 5.194 1.00 52.23 H new ATOM 0 HG2 MET A 87 -8.434 16.554 3.876 1.00 42.41 H new ATOM 0 HG3 MET A 87 -6.879 16.514 3.068 1.00 42.41 H new ATOM 0 HE1 MET A 87 -7.766 16.400 -0.013 1.00 54.12 H new ATOM 0 HE2 MET A 87 -6.429 16.059 1.110 1.00 54.12 H new ATOM 0 HE3 MET A 87 -7.057 14.769 0.057 1.00 54.12 H new ATOM 1439 N THR A 88 -5.006 12.748 5.493 1.00 64.11 N ATOM 1440 CA THR A 88 -3.865 12.540 6.375 1.00 24.05 C ATOM 1441 C THR A 88 -2.656 12.028 5.600 1.00 31.23 C ATOM 1442 O THR A 88 -1.551 12.554 5.734 1.00 50.23 O ATOM 1443 CB THR A 88 -4.199 11.542 7.500 1.00 10.35 C ATOM 1444 OG1 THR A 88 -5.186 12.102 8.374 1.00 75.33 O ATOM 1445 CG2 THR A 88 -2.953 11.188 8.297 1.00 23.52 C ATOM 0 H THR A 88 -5.774 12.092 5.635 1.00 64.11 H new ATOM 0 HA THR A 88 -3.627 13.508 6.816 1.00 24.05 H new ATOM 0 HB THR A 88 -4.591 10.633 7.044 1.00 10.35 H new ATOM 0 HG1 THR A 88 -6.079 11.832 8.075 1.00 75.33 H new ATOM 0 HG21 THR A 88 -3.214 10.482 9.086 1.00 23.52 H new ATOM 0 HG22 THR A 88 -2.214 10.736 7.635 1.00 23.52 H new ATOM 0 HG23 THR A 88 -2.537 12.092 8.742 1.00 23.52 H new ATOM 1453 N LYS A 89 -2.873 10.998 4.789 1.00 45.32 N ATOM 1454 CA LYS A 89 -1.802 10.415 3.989 1.00 5.14 C ATOM 1455 C LYS A 89 -1.345 11.383 2.902 1.00 31.04 C ATOM 1456 O LYS A 89 -0.321 11.165 2.254 1.00 53.30 O ATOM 1457 CB LYS A 89 -2.267 9.102 3.356 1.00 51.34 C ATOM 1458 CG LYS A 89 -1.434 7.900 3.766 1.00 54.04 C ATOM 1459 CD LYS A 89 -1.825 7.395 5.145 1.00 42.43 C ATOM 1460 CE LYS A 89 -1.102 8.159 6.243 1.00 5.51 C ATOM 1461 NZ LYS A 89 -1.294 7.527 7.578 1.00 51.44 N ATOM 0 H LYS A 89 -3.781 10.550 4.668 1.00 45.32 H new ATOM 0 HA LYS A 89 -0.958 10.214 4.649 1.00 5.14 H new ATOM 0 HB2 LYS A 89 -3.307 8.924 3.631 1.00 51.34 H new ATOM 0 HB3 LYS A 89 -2.237 9.201 2.271 1.00 51.34 H new ATOM 0 HG2 LYS A 89 -1.562 7.101 3.035 1.00 54.04 H new ATOM 0 HG3 LYS A 89 -0.378 8.170 3.762 1.00 54.04 H new ATOM 0 HD2 LYS A 89 -2.902 7.496 5.279 1.00 42.43 H new ATOM 0 HD3 LYS A 89 -1.592 6.333 5.225 1.00 42.43 H new ATOM 0 HE2 LYS A 89 -0.038 8.205 6.013 1.00 5.51 H new ATOM 0 HE3 LYS A 89 -1.467 9.186 6.272 1.00 5.51 H new ATOM 0 HZ1 LYS A 89 -0.786 8.078 8.299 1.00 51.44 H new ATOM 0 HZ2 LYS A 89 -2.308 7.506 7.809 1.00 51.44 H new ATOM 0 HZ3 LYS A 89 -0.923 6.556 7.559 1.00 51.44 H new ATOM 1475 N TYR A 90 -2.110 12.452 2.709 1.00 23.15 N ATOM 1476 CA TYR A 90 -1.784 13.453 1.700 1.00 20.52 C ATOM 1477 C TYR A 90 -1.080 14.651 2.329 1.00 50.21 C ATOM 1478 O TYR A 90 -0.086 15.150 1.800 1.00 51.11 O ATOM 1479 CB TYR A 90 -3.052 13.912 0.980 1.00 55.24 C ATOM 1480 CG TYR A 90 -2.871 15.189 0.190 1.00 73.43 C ATOM 1481 CD1 TYR A 90 -1.760 15.374 -0.623 1.00 3.52 C ATOM 1482 CD2 TYR A 90 -3.813 16.209 0.255 1.00 23.41 C ATOM 1483 CE1 TYR A 90 -1.590 16.539 -1.345 1.00 40.45 C ATOM 1484 CE2 TYR A 90 -3.652 17.376 -0.465 1.00 41.43 C ATOM 1485 CZ TYR A 90 -2.539 17.537 -1.264 1.00 2.23 C ATOM 1486 OH TYR A 90 -2.374 18.699 -1.983 1.00 60.42 O ATOM 0 H TYR A 90 -2.960 12.648 3.238 1.00 23.15 H new ATOM 0 HA TYR A 90 -1.108 12.997 0.976 1.00 20.52 H new ATOM 0 HB2 TYR A 90 -3.384 13.122 0.306 1.00 55.24 H new ATOM 0 HB3 TYR A 90 -3.844 14.058 1.714 1.00 55.24 H new ATOM 0 HD1 TYR A 90 -1.017 14.594 -0.692 1.00 3.52 H new ATOM 0 HD2 TYR A 90 -4.686 16.087 0.879 1.00 23.41 H new ATOM 0 HE1 TYR A 90 -0.719 16.668 -1.970 1.00 40.45 H new ATOM 0 HE2 TYR A 90 -4.394 18.159 -0.403 1.00 41.43 H new ATOM 0 HH TYR A 90 -3.131 19.298 -1.815 1.00 60.42 H new ATOM 1496 N HIS A 91 -1.603 15.109 3.462 1.00 23.43 N ATOM 1497 CA HIS A 91 -1.025 16.248 4.166 1.00 44.35 C ATOM 1498 C HIS A 91 -0.021 15.785 5.217 1.00 0.54 C ATOM 1499 O HIS A 91 1.154 16.150 5.171 1.00 61.33 O ATOM 1500 CB HIS A 91 -2.126 17.079 4.825 1.00 5.31 C ATOM 1501 CG HIS A 91 -1.605 18.146 5.739 1.00 61.31 C ATOM 1502 ND1 HIS A 91 -1.529 17.993 7.107 1.00 3.02 N ATOM 1503 CD2 HIS A 91 -1.131 19.386 5.473 1.00 33.42 C ATOM 1504 CE1 HIS A 91 -1.032 19.093 7.644 1.00 54.42 C ATOM 1505 NE2 HIS A 91 -0.782 19.954 6.674 1.00 54.05 N ATOM 0 H HIS A 91 -2.426 14.709 3.912 1.00 23.43 H new ATOM 0 HA HIS A 91 -0.501 16.866 3.437 1.00 44.35 H new ATOM 0 HB2 HIS A 91 -2.734 17.543 4.048 1.00 5.31 H new ATOM 0 HB3 HIS A 91 -2.781 16.416 5.390 1.00 5.31 H new ATOM 0 HD2 HIS A 91 -1.044 19.843 4.498 1.00 33.42 H new ATOM 0 HE1 HIS A 91 -0.859 19.260 8.697 1.00 54.42 H new ATOM 0 HE2 HIS A 91 -0.393 20.889 6.797 1.00 54.05 H new ATOM 1513 N ASP A 92 -0.492 14.982 6.165 1.00 52.24 N ATOM 1514 CA ASP A 92 0.364 14.469 7.228 1.00 51.40 C ATOM 1515 C ASP A 92 1.567 13.732 6.649 1.00 43.12 C ATOM 1516 O ASP A 92 2.618 13.640 7.285 1.00 32.24 O ATOM 1517 CB ASP A 92 -0.429 13.536 8.145 1.00 43.42 C ATOM 1518 CG ASP A 92 -0.338 13.943 9.602 1.00 34.05 C ATOM 1519 OD1 ASP A 92 0.600 13.487 10.289 1.00 31.31 O ATOM 1520 OD2 ASP A 92 -1.206 14.718 10.056 1.00 4.25 O ATOM 0 H ASP A 92 -1.462 14.672 6.219 1.00 52.24 H new ATOM 0 HA ASP A 92 0.726 15.316 7.810 1.00 51.40 H new ATOM 0 HB2 ASP A 92 -1.475 13.531 7.837 1.00 43.42 H new ATOM 0 HB3 ASP A 92 -0.058 12.517 8.031 1.00 43.42 H new ATOM 1525 N LEU A 93 1.407 13.208 5.439 1.00 61.22 N ATOM 1526 CA LEU A 93 2.480 12.477 4.773 1.00 1.13 C ATOM 1527 C LEU A 93 3.227 13.378 3.794 1.00 35.33 C ATOM 1528 O LEU A 93 4.341 13.066 3.373 1.00 13.40 O ATOM 1529 CB LEU A 93 1.915 11.261 4.037 1.00 43.34 C ATOM 1530 CG LEU A 93 2.469 9.901 4.463 1.00 42.33 C ATOM 1531 CD1 LEU A 93 3.973 9.845 4.245 1.00 43.42 C ATOM 1532 CD2 LEU A 93 2.129 9.619 5.919 1.00 54.22 C ATOM 0 H LEU A 93 0.545 13.276 4.899 1.00 61.22 H new ATOM 0 HA LEU A 93 3.183 12.138 5.534 1.00 1.13 H new ATOM 0 HB2 LEU A 93 0.834 11.249 4.173 1.00 43.34 H new ATOM 0 HB3 LEU A 93 2.100 11.388 2.970 1.00 43.34 H new ATOM 0 HG LEU A 93 2.004 9.132 3.846 1.00 42.33 H new ATOM 0 HD11 LEU A 93 4.349 8.870 4.554 1.00 43.42 H new ATOM 0 HD12 LEU A 93 4.194 10.001 3.189 1.00 43.42 H new ATOM 0 HD13 LEU A 93 4.456 10.624 4.836 1.00 43.42 H new ATOM 0 HD21 LEU A 93 2.531 8.647 6.205 1.00 54.22 H new ATOM 0 HD22 LEU A 93 2.566 10.392 6.551 1.00 54.22 H new ATOM 0 HD23 LEU A 93 1.046 9.615 6.046 1.00 54.22 H new ATOM 1544 N LYS A 94 2.606 14.497 3.437 1.00 1.14 N ATOM 1545 CA LYS A 94 3.212 15.446 2.511 1.00 51.11 C ATOM 1546 C LYS A 94 4.587 15.885 3.003 1.00 24.32 C ATOM 1547 O LYS A 94 5.462 16.230 2.208 1.00 11.12 O ATOM 1548 CB LYS A 94 2.307 16.668 2.336 1.00 4.24 C ATOM 1549 CG LYS A 94 2.979 17.980 2.706 1.00 33.53 C ATOM 1550 CD LYS A 94 2.378 18.577 3.967 1.00 12.34 C ATOM 1551 CE LYS A 94 3.245 18.296 5.185 1.00 15.33 C ATOM 1552 NZ LYS A 94 2.867 19.152 6.344 1.00 32.32 N ATOM 0 H LYS A 94 1.683 14.769 3.775 1.00 1.14 H new ATOM 0 HA LYS A 94 3.332 14.949 1.548 1.00 51.11 H new ATOM 0 HB2 LYS A 94 1.976 16.719 1.299 1.00 4.24 H new ATOM 0 HB3 LYS A 94 1.415 16.540 2.950 1.00 4.24 H new ATOM 0 HG2 LYS A 94 4.046 17.814 2.853 1.00 33.53 H new ATOM 0 HG3 LYS A 94 2.877 18.687 1.883 1.00 33.53 H new ATOM 0 HD2 LYS A 94 2.263 19.654 3.842 1.00 12.34 H new ATOM 0 HD3 LYS A 94 1.381 18.166 4.126 1.00 12.34 H new ATOM 0 HE2 LYS A 94 3.152 17.246 5.463 1.00 15.33 H new ATOM 0 HE3 LYS A 94 4.292 18.467 4.933 1.00 15.33 H new ATOM 0 HZ1 LYS A 94 3.481 18.930 7.154 1.00 32.32 H new ATOM 0 HZ2 LYS A 94 2.980 20.153 6.087 1.00 32.32 H new ATOM 0 HZ3 LYS A 94 1.876 18.970 6.601 1.00 32.32 H new ATOM 1566 N LYS A 95 4.773 15.867 4.319 1.00 42.33 N ATOM 1567 CA LYS A 95 6.043 16.260 4.918 1.00 40.32 C ATOM 1568 C LYS A 95 7.173 15.353 4.441 1.00 2.44 C ATOM 1569 O LYS A 95 8.334 15.760 4.409 1.00 63.33 O ATOM 1570 CB LYS A 95 5.946 16.213 6.444 1.00 4.54 C ATOM 1571 CG LYS A 95 6.407 17.492 7.123 1.00 64.04 C ATOM 1572 CD LYS A 95 7.920 17.631 7.080 1.00 10.35 C ATOM 1573 CE LYS A 95 8.340 18.988 6.535 1.00 32.24 C ATOM 1574 NZ LYS A 95 9.719 18.957 5.974 1.00 55.35 N ATOM 0 H LYS A 95 4.060 15.584 4.991 1.00 42.33 H new ATOM 0 HA LYS A 95 6.264 17.281 4.605 1.00 40.32 H new ATOM 0 HB2 LYS A 95 4.913 16.013 6.728 1.00 4.54 H new ATOM 0 HB3 LYS A 95 6.545 15.380 6.812 1.00 4.54 H new ATOM 0 HG2 LYS A 95 5.948 18.351 6.634 1.00 64.04 H new ATOM 0 HG3 LYS A 95 6.069 17.497 8.159 1.00 64.04 H new ATOM 0 HD2 LYS A 95 8.327 17.498 8.082 1.00 10.35 H new ATOM 0 HD3 LYS A 95 8.341 16.842 6.458 1.00 10.35 H new ATOM 0 HE2 LYS A 95 7.640 19.301 5.761 1.00 32.24 H new ATOM 0 HE3 LYS A 95 8.288 19.731 7.331 1.00 32.24 H new ATOM 0 HZ1 LYS A 95 9.968 19.900 5.613 1.00 55.35 H new ATOM 0 HZ2 LYS A 95 10.391 18.683 6.719 1.00 55.35 H new ATOM 0 HZ3 LYS A 95 9.762 18.266 5.198 1.00 55.35 H new ATOM 1588 N GLN A 96 6.825 14.125 4.072 1.00 15.11 N ATOM 1589 CA GLN A 96 7.811 13.162 3.597 1.00 53.02 C ATOM 1590 C GLN A 96 7.563 12.806 2.134 1.00 4.44 C ATOM 1591 O GLN A 96 7.871 11.700 1.694 1.00 62.14 O ATOM 1592 CB GLN A 96 7.773 11.896 4.455 1.00 5.40 C ATOM 1593 CG GLN A 96 7.783 12.174 5.950 1.00 52.35 C ATOM 1594 CD GLN A 96 9.105 12.740 6.430 1.00 54.43 C ATOM 1595 OE1 GLN A 96 10.038 12.918 5.647 1.00 40.34 O ATOM 1596 NE2 GLN A 96 9.191 13.027 7.723 1.00 0.33 N ATOM 0 H GLN A 96 5.868 13.773 4.093 1.00 15.11 H new ATOM 0 HA GLN A 96 8.797 13.619 3.679 1.00 53.02 H new ATOM 0 HB2 GLN A 96 6.879 11.325 4.206 1.00 5.40 H new ATOM 0 HB3 GLN A 96 8.630 11.271 4.204 1.00 5.40 H new ATOM 0 HG2 GLN A 96 6.983 12.875 6.191 1.00 52.35 H new ATOM 0 HG3 GLN A 96 7.571 11.251 6.489 1.00 52.35 H new ATOM 0 HE21 GLN A 96 8.392 12.863 8.336 1.00 0.33 H new ATOM 0 HE22 GLN A 96 10.056 13.411 8.104 1.00 0.33 H new ATOM 1605 N GLY A 97 7.005 13.753 1.386 1.00 14.24 N ATOM 1606 CA GLY A 97 6.725 13.520 -0.018 1.00 71.04 C ATOM 1607 C GLY A 97 6.040 14.701 -0.677 1.00 33.11 C ATOM 1608 O GLY A 97 6.206 15.843 -0.248 1.00 52.25 O ATOM 0 H GLY A 97 6.742 14.677 1.728 1.00 14.24 H new ATOM 0 HA2 GLY A 97 7.657 13.307 -0.541 1.00 71.04 H new ATOM 0 HA3 GLY A 97 6.095 12.636 -0.118 1.00 71.04 H new ATOM 1612 N LYS A 98 5.268 14.427 -1.723 1.00 71.02 N ATOM 1613 CA LYS A 98 4.555 15.475 -2.444 1.00 33.03 C ATOM 1614 C LYS A 98 3.581 14.875 -3.454 1.00 5.34 C ATOM 1615 O LYS A 98 3.353 13.665 -3.466 1.00 50.42 O ATOM 1616 CB LYS A 98 5.546 16.396 -3.159 1.00 72.32 C ATOM 1617 CG LYS A 98 6.354 15.697 -4.239 1.00 2.31 C ATOM 1618 CD LYS A 98 7.601 15.044 -3.667 1.00 70.51 C ATOM 1619 CE LYS A 98 8.534 14.564 -4.768 1.00 71.15 C ATOM 1620 NZ LYS A 98 7.825 13.714 -5.765 1.00 50.41 N ATOM 0 H LYS A 98 5.120 13.487 -2.091 1.00 71.02 H new ATOM 0 HA LYS A 98 3.986 16.057 -1.719 1.00 33.03 H new ATOM 0 HB2 LYS A 98 5.000 17.227 -3.606 1.00 72.32 H new ATOM 0 HB3 LYS A 98 6.229 16.822 -2.424 1.00 72.32 H new ATOM 0 HG2 LYS A 98 5.737 14.941 -4.725 1.00 2.31 H new ATOM 0 HG3 LYS A 98 6.638 16.418 -5.006 1.00 2.31 H new ATOM 0 HD2 LYS A 98 8.125 15.755 -3.029 1.00 70.51 H new ATOM 0 HD3 LYS A 98 7.315 14.201 -3.037 1.00 70.51 H new ATOM 0 HE2 LYS A 98 8.974 15.425 -5.272 1.00 71.15 H new ATOM 0 HE3 LYS A 98 9.355 13.999 -4.327 1.00 71.15 H new ATOM 0 HZ1 LYS A 98 8.518 13.141 -6.288 1.00 50.41 H new ATOM 0 HZ2 LYS A 98 7.157 13.087 -5.274 1.00 50.41 H new ATOM 0 HZ3 LYS A 98 7.305 14.320 -6.431 1.00 50.41 H new ATOM 1634 N ILE A 99 3.013 15.728 -4.299 1.00 12.42 N ATOM 1635 CA ILE A 99 2.067 15.281 -5.314 1.00 13.35 C ATOM 1636 C ILE A 99 2.341 15.953 -6.655 1.00 11.23 C ATOM 1637 O ILE A 99 3.127 16.897 -6.740 1.00 61.31 O ATOM 1638 CB ILE A 99 0.613 15.571 -4.895 1.00 22.13 C ATOM 1639 CG1 ILE A 99 0.379 17.080 -4.794 1.00 63.43 C ATOM 1640 CG2 ILE A 99 0.298 14.891 -3.570 1.00 42.35 C ATOM 1641 CD1 ILE A 99 -1.083 17.464 -4.769 1.00 35.01 C ATOM 0 H ILE A 99 3.191 16.732 -4.301 1.00 12.42 H new ATOM 0 HA ILE A 99 2.199 14.204 -5.416 1.00 13.35 H new ATOM 0 HB ILE A 99 -0.056 15.169 -5.656 1.00 22.13 H new ATOM 0 HG12 ILE A 99 0.860 17.454 -3.890 1.00 63.43 H new ATOM 0 HG13 ILE A 99 0.861 17.572 -5.639 1.00 63.43 H new ATOM 0 HG21 ILE A 99 -0.733 15.105 -3.287 1.00 42.35 H new ATOM 0 HG22 ILE A 99 0.430 13.814 -3.673 1.00 42.35 H new ATOM 0 HG23 ILE A 99 0.971 15.266 -2.799 1.00 42.35 H new ATOM 0 HD11 ILE A 99 -1.173 18.548 -4.696 1.00 35.01 H new ATOM 0 HD12 ILE A 99 -1.565 17.120 -5.684 1.00 35.01 H new ATOM 0 HD13 ILE A 99 -1.566 17.001 -3.908 1.00 35.01 H new ATOM 1653 N LYS A 100 1.686 15.462 -7.701 1.00 73.11 N ATOM 1654 CA LYS A 100 1.855 16.016 -9.039 1.00 62.43 C ATOM 1655 C LYS A 100 0.511 16.422 -9.634 1.00 53.02 C ATOM 1656 O LYS A 100 -0.500 15.752 -9.423 1.00 33.11 O ATOM 1657 CB LYS A 100 2.542 14.997 -9.952 1.00 34.20 C ATOM 1658 CG LYS A 100 3.876 14.505 -9.419 1.00 43.12 C ATOM 1659 CD LYS A 100 5.017 15.411 -9.851 1.00 61.03 C ATOM 1660 CE LYS A 100 5.297 15.282 -11.341 1.00 4.32 C ATOM 1661 NZ LYS A 100 6.638 15.820 -11.701 1.00 44.12 N ATOM 0 H LYS A 100 1.032 14.681 -7.648 1.00 73.11 H new ATOM 0 HA LYS A 100 2.481 16.905 -8.960 1.00 62.43 H new ATOM 0 HB2 LYS A 100 1.879 14.143 -10.093 1.00 34.20 H new ATOM 0 HB3 LYS A 100 2.696 15.446 -10.933 1.00 34.20 H new ATOM 0 HG2 LYS A 100 3.839 14.458 -8.331 1.00 43.12 H new ATOM 0 HG3 LYS A 100 4.060 13.491 -9.775 1.00 43.12 H new ATOM 0 HD2 LYS A 100 4.771 16.446 -9.614 1.00 61.03 H new ATOM 0 HD3 LYS A 100 5.916 15.160 -9.288 1.00 61.03 H new ATOM 0 HE2 LYS A 100 5.236 14.234 -11.633 1.00 4.32 H new ATOM 0 HE3 LYS A 100 4.529 15.814 -11.902 1.00 4.32 H new ATOM 0 HZ1 LYS A 100 6.791 15.714 -12.724 1.00 44.12 H new ATOM 0 HZ2 LYS A 100 6.688 16.827 -11.446 1.00 44.12 H new ATOM 0 HZ3 LYS A 100 7.373 15.295 -11.185 1.00 44.12 H new ATOM 1675 N ASP A 101 0.507 17.522 -10.379 1.00 71.22 N ATOM 1676 CA ASP A 101 -0.713 18.016 -11.007 1.00 31.10 C ATOM 1677 C ASP A 101 -0.584 18.009 -12.527 1.00 25.41 C ATOM 1678 O ASP A 101 -0.423 19.058 -13.151 1.00 61.51 O ATOM 1679 CB ASP A 101 -1.028 19.430 -10.516 1.00 70.13 C ATOM 1680 CG ASP A 101 0.137 20.381 -10.705 1.00 4.03 C ATOM 1681 OD1 ASP A 101 1.133 20.255 -9.960 1.00 54.35 O ATOM 1682 OD2 ASP A 101 0.055 21.251 -11.597 1.00 32.41 O ATOM 0 H ASP A 101 1.335 18.089 -10.563 1.00 71.22 H new ATOM 0 HA ASP A 101 -1.531 17.352 -10.727 1.00 31.10 H new ATOM 0 HB2 ASP A 101 -1.896 19.813 -11.052 1.00 70.13 H new ATOM 0 HB3 ASP A 101 -1.296 19.394 -9.460 1.00 70.13 H new ATOM 1687 N ARG A 102 -0.653 16.819 -13.116 1.00 12.31 N ATOM 1688 CA ARG A 102 -0.541 16.675 -14.562 1.00 53.44 C ATOM 1689 C ARG A 102 -1.813 17.155 -15.257 1.00 4.35 C ATOM 1690 O ARG A 102 -2.878 17.265 -14.648 1.00 45.35 O ATOM 1691 CB ARG A 102 -0.266 15.217 -14.931 1.00 62.54 C ATOM 1692 CG ARG A 102 1.212 14.897 -15.090 1.00 53.24 C ATOM 1693 CD ARG A 102 1.421 13.565 -15.794 1.00 42.51 C ATOM 1694 NE ARG A 102 1.454 13.713 -17.247 1.00 4.34 N ATOM 1695 CZ ARG A 102 2.441 14.315 -17.902 1.00 20.13 C ATOM 1696 NH1 ARG A 102 3.470 14.822 -17.237 1.00 62.22 N ATOM 1697 NH2 ARG A 102 2.400 14.410 -19.225 1.00 34.14 N ATOM 0 H ARG A 102 -0.786 15.941 -12.614 1.00 12.31 H new ATOM 0 HA ARG A 102 0.292 17.292 -14.899 1.00 53.44 H new ATOM 0 HB2 ARG A 102 -0.688 14.571 -14.162 1.00 62.54 H new ATOM 0 HB3 ARG A 102 -0.782 14.983 -15.862 1.00 62.54 H new ATOM 0 HG2 ARG A 102 1.698 15.690 -15.658 1.00 53.24 H new ATOM 0 HG3 ARG A 102 1.687 14.870 -14.109 1.00 53.24 H new ATOM 0 HD2 ARG A 102 2.355 13.118 -15.454 1.00 42.51 H new ATOM 0 HD3 ARG A 102 0.620 12.879 -15.518 1.00 42.51 H new ATOM 0 HE ARG A 102 0.677 13.334 -17.788 1.00 4.34 H new ATOM 0 HH11 ARG A 102 3.505 14.750 -16.220 1.00 62.22 H new ATOM 0 HH12 ARG A 102 4.226 15.284 -17.742 1.00 62.22 H new ATOM 0 HH21 ARG A 102 1.610 14.021 -19.740 1.00 34.14 H new ATOM 0 HH22 ARG A 102 3.158 14.872 -19.727 1.00 34.14 H new ATOM 1711 N PRO A 103 -1.700 17.449 -16.560 1.00 74.15 N ATOM 1712 CA PRO A 103 -2.831 17.922 -17.366 1.00 25.25 C ATOM 1713 C PRO A 103 -3.871 16.832 -17.600 1.00 14.41 C ATOM 1714 O PRO A 103 -3.542 15.648 -17.662 1.00 62.13 O ATOM 1715 CB PRO A 103 -2.177 18.331 -18.688 1.00 74.21 C ATOM 1716 CG PRO A 103 -0.935 17.512 -18.766 1.00 75.34 C ATOM 1717 CD PRO A 103 -0.462 17.341 -17.350 1.00 2.15 C ATOM 0 HA PRO A 103 -3.373 18.730 -16.875 1.00 25.25 H new ATOM 0 HB2 PRO A 103 -2.836 18.133 -19.533 1.00 74.21 H new ATOM 0 HB3 PRO A 103 -1.950 19.397 -18.704 1.00 74.21 H new ATOM 0 HG2 PRO A 103 -1.133 16.546 -19.230 1.00 75.34 H new ATOM 0 HG3 PRO A 103 -0.178 18.008 -19.373 1.00 75.34 H new ATOM 0 HD2 PRO A 103 0.025 16.377 -17.203 1.00 2.15 H new ATOM 0 HD3 PRO A 103 0.260 18.109 -17.072 1.00 2.15 H new ATOM 1725 N VAL A 104 -5.130 17.241 -17.730 1.00 22.44 N ATOM 1726 CA VAL A 104 -6.219 16.299 -17.959 1.00 12.11 C ATOM 1727 C VAL A 104 -6.489 16.123 -19.449 1.00 40.10 C ATOM 1728 O VAL A 104 -6.529 17.095 -20.203 1.00 40.34 O ATOM 1729 CB VAL A 104 -7.515 16.760 -17.265 1.00 23.22 C ATOM 1730 CG1 VAL A 104 -8.042 18.033 -17.908 1.00 44.42 C ATOM 1731 CG2 VAL A 104 -8.563 15.658 -17.308 1.00 24.01 C ATOM 0 H VAL A 104 -5.420 18.218 -17.681 1.00 22.44 H new ATOM 0 HA VAL A 104 -5.907 15.345 -17.534 1.00 12.11 H new ATOM 0 HB VAL A 104 -7.290 16.976 -16.221 1.00 23.22 H new ATOM 0 HG11 VAL A 104 -8.958 18.343 -17.404 1.00 44.42 H new ATOM 0 HG12 VAL A 104 -7.295 18.821 -17.820 1.00 44.42 H new ATOM 0 HG13 VAL A 104 -8.252 17.848 -18.962 1.00 44.42 H new ATOM 0 HG21 VAL A 104 -9.472 16.001 -16.813 1.00 24.01 H new ATOM 0 HG22 VAL A 104 -8.786 15.409 -18.345 1.00 24.01 H new ATOM 0 HG23 VAL A 104 -8.183 14.774 -16.796 1.00 24.01 H new ATOM 1741 N LYS A 105 -6.674 14.876 -19.868 1.00 32.22 N ATOM 1742 CA LYS A 105 -6.942 14.570 -21.268 1.00 54.20 C ATOM 1743 C LYS A 105 -8.443 14.541 -21.541 1.00 1.31 C ATOM 1744 O LYS A 105 -9.225 14.085 -20.708 1.00 11.23 O ATOM 1745 CB LYS A 105 -6.319 13.225 -21.646 1.00 65.04 C ATOM 1746 CG LYS A 105 -4.894 13.338 -22.161 1.00 51.54 C ATOM 1747 CD LYS A 105 -4.845 14.015 -23.521 1.00 71.32 C ATOM 1748 CE LYS A 105 -3.414 14.191 -24.005 1.00 22.22 C ATOM 1749 NZ LYS A 105 -2.844 12.918 -24.528 1.00 14.04 N ATOM 0 H LYS A 105 -6.643 14.060 -19.257 1.00 32.22 H new ATOM 0 HA LYS A 105 -6.494 15.355 -21.877 1.00 54.20 H new ATOM 0 HB2 LYS A 105 -6.331 12.571 -20.774 1.00 65.04 H new ATOM 0 HB3 LYS A 105 -6.936 12.750 -22.409 1.00 65.04 H new ATOM 0 HG2 LYS A 105 -4.293 13.904 -21.450 1.00 51.54 H new ATOM 0 HG3 LYS A 105 -4.452 12.344 -22.232 1.00 51.54 H new ATOM 0 HD2 LYS A 105 -5.404 13.422 -24.244 1.00 71.32 H new ATOM 0 HD3 LYS A 105 -5.332 14.988 -23.462 1.00 71.32 H new ATOM 0 HE2 LYS A 105 -3.386 14.950 -24.787 1.00 22.22 H new ATOM 0 HE3 LYS A 105 -2.796 14.556 -23.185 1.00 22.22 H new ATOM 0 HZ1 LYS A 105 -1.868 13.080 -24.848 1.00 14.04 H new ATOM 0 HZ2 LYS A 105 -2.847 12.201 -23.775 1.00 14.04 H new ATOM 0 HZ3 LYS A 105 -3.419 12.583 -25.327 1.00 14.04 H new ATOM 1763 N GLU A 106 -8.836 15.030 -22.713 1.00 73.20 N ATOM 1764 CA GLU A 106 -10.243 15.059 -23.094 1.00 74.54 C ATOM 1765 C GLU A 106 -10.701 13.690 -23.590 1.00 63.24 C ATOM 1766 O GLU A 106 -9.984 13.012 -24.327 1.00 4.42 O ATOM 1767 CB GLU A 106 -10.479 16.111 -24.179 1.00 53.35 C ATOM 1768 CG GLU A 106 -10.721 17.507 -23.631 1.00 11.43 C ATOM 1769 CD GLU A 106 -10.714 18.569 -24.713 1.00 44.13 C ATOM 1770 OE1 GLU A 106 -11.277 18.315 -25.798 1.00 54.21 O ATOM 1771 OE2 GLU A 106 -10.144 19.655 -24.475 1.00 22.42 O ATOM 0 H GLU A 106 -8.201 15.411 -23.414 1.00 73.20 H new ATOM 0 HA GLU A 106 -10.826 15.321 -22.211 1.00 74.54 H new ATOM 0 HB2 GLU A 106 -9.615 16.135 -24.843 1.00 53.35 H new ATOM 0 HB3 GLU A 106 -11.337 15.813 -24.782 1.00 53.35 H new ATOM 0 HG2 GLU A 106 -11.680 17.528 -23.113 1.00 11.43 H new ATOM 0 HG3 GLU A 106 -9.954 17.741 -22.893 1.00 11.43 H new ATOM 1778 N VAL A 107 -11.900 13.289 -23.181 1.00 30.34 N ATOM 1779 CA VAL A 107 -12.454 12.002 -23.583 1.00 34.42 C ATOM 1780 C VAL A 107 -13.599 12.182 -24.574 1.00 22.21 C ATOM 1781 O VAL A 107 -14.420 13.088 -24.432 1.00 52.34 O ATOM 1782 CB VAL A 107 -12.964 11.205 -22.367 1.00 4.22 C ATOM 1783 CG1 VAL A 107 -14.042 10.219 -22.788 1.00 20.50 C ATOM 1784 CG2 VAL A 107 -11.811 10.487 -21.680 1.00 55.42 C ATOM 0 H VAL A 107 -12.507 13.837 -22.571 1.00 30.34 H new ATOM 0 HA VAL A 107 -11.647 11.446 -24.060 1.00 34.42 H new ATOM 0 HB VAL A 107 -13.404 11.903 -21.655 1.00 4.22 H new ATOM 0 HG11 VAL A 107 -14.390 9.666 -21.916 1.00 20.50 H new ATOM 0 HG12 VAL A 107 -14.878 10.761 -23.231 1.00 20.50 H new ATOM 0 HG13 VAL A 107 -13.632 9.523 -23.520 1.00 20.50 H new ATOM 0 HG21 VAL A 107 -12.189 9.929 -20.823 1.00 55.42 H new ATOM 0 HG22 VAL A 107 -11.341 9.799 -22.382 1.00 55.42 H new ATOM 0 HG23 VAL A 107 -11.077 11.218 -21.342 1.00 55.42 H new ATOM 1794 N HIS A 108 -13.647 11.312 -25.578 1.00 33.11 N ATOM 1795 CA HIS A 108 -14.693 11.374 -26.593 1.00 45.04 C ATOM 1796 C HIS A 108 -15.507 10.084 -26.614 1.00 15.33 C ATOM 1797 O HIS A 108 -15.200 9.134 -25.895 1.00 64.15 O ATOM 1798 CB HIS A 108 -14.080 11.626 -27.971 1.00 62.34 C ATOM 1799 CG HIS A 108 -14.806 12.665 -28.769 1.00 70.31 C ATOM 1800 ND1 HIS A 108 -15.186 12.477 -30.081 1.00 62.33 N ATOM 1801 CD2 HIS A 108 -15.224 13.907 -28.432 1.00 43.45 C ATOM 1802 CE1 HIS A 108 -15.804 13.559 -30.518 1.00 10.51 C ATOM 1803 NE2 HIS A 108 -15.841 14.443 -29.536 1.00 63.44 N ATOM 0 H HIS A 108 -12.975 10.557 -25.710 1.00 33.11 H new ATOM 0 HA HIS A 108 -15.360 12.199 -26.343 1.00 45.04 H new ATOM 0 HB2 HIS A 108 -13.042 11.935 -27.847 1.00 62.34 H new ATOM 0 HB3 HIS A 108 -14.070 10.691 -28.531 1.00 62.34 H new ATOM 0 HD2 HIS A 108 -15.096 14.388 -27.473 1.00 43.45 H new ATOM 0 HE1 HIS A 108 -16.210 13.698 -31.509 1.00 10.51 H new ATOM 0 HE2 HIS A 108 -16.259 15.372 -29.589 1.00 63.44 H new ATOM 1811 N GLU A 109 -16.548 10.060 -27.441 1.00 11.43 N ATOM 1812 CA GLU A 109 -17.407 8.888 -27.552 1.00 75.32 C ATOM 1813 C GLU A 109 -16.781 7.839 -28.466 1.00 63.24 C ATOM 1814 O GLU A 109 -15.813 8.117 -29.174 1.00 73.22 O ATOM 1815 CB GLU A 109 -18.785 9.286 -28.085 1.00 14.42 C ATOM 1816 CG GLU A 109 -19.250 10.652 -27.609 1.00 10.44 C ATOM 1817 CD GLU A 109 -20.703 10.925 -27.948 1.00 4.44 C ATOM 1818 OE1 GLU A 109 -21.534 10.009 -27.779 1.00 50.14 O ATOM 1819 OE2 GLU A 109 -21.008 12.056 -28.381 1.00 4.40 O ATOM 0 H GLU A 109 -16.816 10.838 -28.043 1.00 11.43 H new ATOM 0 HA GLU A 109 -17.520 8.458 -26.557 1.00 75.32 H new ATOM 0 HB2 GLU A 109 -18.760 9.279 -29.175 1.00 14.42 H new ATOM 0 HB3 GLU A 109 -19.514 8.536 -27.779 1.00 14.42 H new ATOM 0 HG2 GLU A 109 -19.113 10.722 -26.530 1.00 10.44 H new ATOM 0 HG3 GLU A 109 -18.625 11.422 -28.061 1.00 10.44 H new ATOM 1826 N GLU A 110 -17.340 6.633 -28.444 1.00 63.12 N ATOM 1827 CA GLU A 110 -16.835 5.542 -29.270 1.00 4.22 C ATOM 1828 C GLU A 110 -15.367 5.261 -28.961 1.00 42.03 C ATOM 1829 O GLU A 110 -14.547 5.118 -29.869 1.00 2.14 O ATOM 1830 CB GLU A 110 -17.000 5.877 -30.754 1.00 11.44 C ATOM 1831 CG GLU A 110 -18.439 5.810 -31.236 1.00 13.21 C ATOM 1832 CD GLU A 110 -18.551 5.355 -32.678 1.00 43.21 C ATOM 1833 OE1 GLU A 110 -17.704 5.767 -33.498 1.00 0.50 O ATOM 1834 OE2 GLU A 110 -19.485 4.586 -32.986 1.00 52.14 O ATOM 0 H GLU A 110 -18.142 6.387 -27.864 1.00 63.12 H new ATOM 0 HA GLU A 110 -17.415 4.648 -29.040 1.00 4.22 H new ATOM 0 HB2 GLU A 110 -16.610 6.878 -30.937 1.00 11.44 H new ATOM 0 HB3 GLU A 110 -16.396 5.187 -31.343 1.00 11.44 H new ATOM 0 HG2 GLU A 110 -19.000 5.127 -30.599 1.00 13.21 H new ATOM 0 HG3 GLU A 110 -18.899 6.793 -31.132 1.00 13.21 H new ATOM 1841 N TYR A 111 -15.043 5.184 -27.675 1.00 72.33 N ATOM 1842 CA TYR A 111 -13.674 4.923 -27.246 1.00 34.10 C ATOM 1843 C TYR A 111 -13.599 4.766 -25.730 1.00 54.32 C ATOM 1844 O TYR A 111 -13.015 5.599 -25.037 1.00 42.10 O ATOM 1845 CB TYR A 111 -12.751 6.055 -27.699 1.00 60.13 C ATOM 1846 CG TYR A 111 -11.327 5.612 -27.947 1.00 4.02 C ATOM 1847 CD1 TYR A 111 -11.046 4.554 -28.803 1.00 34.01 C ATOM 1848 CD2 TYR A 111 -10.261 6.251 -27.324 1.00 74.42 C ATOM 1849 CE1 TYR A 111 -9.747 4.145 -29.032 1.00 3.33 C ATOM 1850 CE2 TYR A 111 -8.959 5.850 -27.548 1.00 64.32 C ATOM 1851 CZ TYR A 111 -8.706 4.797 -28.402 1.00 73.44 C ATOM 1852 OH TYR A 111 -7.410 4.393 -28.627 1.00 40.31 O ATOM 0 H TYR A 111 -15.710 5.299 -26.912 1.00 72.33 H new ATOM 0 HA TYR A 111 -13.347 3.991 -27.706 1.00 34.10 H new ATOM 0 HB2 TYR A 111 -13.150 6.494 -28.613 1.00 60.13 H new ATOM 0 HB3 TYR A 111 -12.752 6.839 -26.941 1.00 60.13 H new ATOM 0 HD1 TYR A 111 -11.858 4.042 -29.298 1.00 34.01 H new ATOM 0 HD2 TYR A 111 -10.455 7.075 -26.653 1.00 74.42 H new ATOM 0 HE1 TYR A 111 -9.547 3.320 -29.700 1.00 3.33 H new ATOM 0 HE2 TYR A 111 -8.143 6.358 -27.057 1.00 64.32 H new ATOM 0 HH TYR A 111 -6.797 4.956 -28.109 1.00 40.31 H new ATOM 1862 N ASP A 112 -14.195 3.693 -25.223 1.00 21.30 N ATOM 1863 CA ASP A 112 -14.195 3.424 -23.790 1.00 12.04 C ATOM 1864 C ASP A 112 -12.788 3.101 -23.297 1.00 41.30 C ATOM 1865 O ASP A 112 -11.934 2.661 -24.068 1.00 53.23 O ATOM 1866 CB ASP A 112 -15.140 2.266 -23.466 1.00 73.24 C ATOM 1867 CG ASP A 112 -16.600 2.658 -23.588 1.00 44.01 C ATOM 1868 OD1 ASP A 112 -17.139 2.595 -24.713 1.00 4.14 O ATOM 1869 OD2 ASP A 112 -17.203 3.029 -22.559 1.00 24.20 O ATOM 0 H ASP A 112 -14.684 2.995 -25.783 1.00 21.30 H new ATOM 0 HA ASP A 112 -14.543 4.321 -23.278 1.00 12.04 H new ATOM 0 HB2 ASP A 112 -14.933 1.433 -24.138 1.00 73.24 H new ATOM 0 HB3 ASP A 112 -14.945 1.914 -22.453 1.00 73.24 H new ATOM 1874 N LEU A 113 -12.552 3.324 -22.009 1.00 32.43 N ATOM 1875 CA LEU A 113 -11.248 3.057 -21.413 1.00 3.55 C ATOM 1876 C LEU A 113 -11.031 1.560 -21.223 1.00 62.53 C ATOM 1877 O LEU A 113 -10.593 0.865 -22.141 1.00 12.12 O ATOM 1878 CB LEU A 113 -11.123 3.776 -20.068 1.00 12.20 C ATOM 1879 CG LEU A 113 -11.096 5.304 -20.124 1.00 10.04 C ATOM 1880 CD1 LEU A 113 -10.062 5.783 -21.130 1.00 41.25 C ATOM 1881 CD2 LEU A 113 -12.474 5.850 -20.470 1.00 64.35 C ATOM 0 H LEU A 113 -13.247 3.689 -21.357 1.00 32.43 H new ATOM 0 HA LEU A 113 -10.483 3.433 -22.092 1.00 3.55 H new ATOM 0 HB2 LEU A 113 -11.957 3.470 -19.436 1.00 12.20 H new ATOM 0 HB3 LEU A 113 -10.211 3.434 -19.579 1.00 12.20 H new ATOM 0 HG LEU A 113 -10.816 5.680 -19.140 1.00 10.04 H new ATOM 0 HD11 LEU A 113 -10.057 6.873 -21.156 1.00 41.25 H new ATOM 0 HD12 LEU A 113 -9.076 5.423 -20.838 1.00 41.25 H new ATOM 0 HD13 LEU A 113 -10.311 5.398 -22.119 1.00 41.25 H new ATOM 0 HD21 LEU A 113 -12.436 6.939 -20.505 1.00 64.35 H new ATOM 0 HD22 LEU A 113 -12.784 5.466 -21.442 1.00 64.35 H new ATOM 0 HD23 LEU A 113 -13.191 5.537 -19.711 1.00 64.35 H new ATOM 1893 N TRP A 114 -11.342 1.069 -20.029 1.00 64.52 N ATOM 1894 CA TRP A 114 -11.183 -0.348 -19.721 1.00 24.14 C ATOM 1895 C TRP A 114 -12.446 -1.127 -20.071 1.00 43.34 C ATOM 1896 O TRP A 114 -12.389 -2.324 -20.350 1.00 15.04 O ATOM 1897 CB TRP A 114 -10.849 -0.534 -18.240 1.00 22.24 C ATOM 1898 CG TRP A 114 -9.377 -0.612 -17.968 1.00 1.33 C ATOM 1899 CD1 TRP A 114 -8.625 0.287 -17.267 1.00 25.15 C ATOM 1900 CD2 TRP A 114 -8.480 -1.643 -18.394 1.00 21.01 C ATOM 1901 NE1 TRP A 114 -7.314 -0.124 -17.231 1.00 43.22 N ATOM 1902 CE2 TRP A 114 -7.199 -1.305 -17.915 1.00 30.33 C ATOM 1903 CE3 TRP A 114 -8.634 -2.820 -19.132 1.00 12.33 C ATOM 1904 CZ2 TRP A 114 -6.082 -2.102 -18.152 1.00 10.13 C ATOM 1905 CZ3 TRP A 114 -7.525 -3.609 -19.366 1.00 64.13 C ATOM 1906 CH2 TRP A 114 -6.262 -3.248 -18.877 1.00 71.31 C ATOM 0 H TRP A 114 -11.705 1.630 -19.259 1.00 64.52 H new ATOM 0 HA TRP A 114 -10.361 -0.735 -20.324 1.00 24.14 H new ATOM 0 HB2 TRP A 114 -11.273 0.295 -17.673 1.00 22.24 H new ATOM 0 HB3 TRP A 114 -11.327 -1.445 -17.879 1.00 22.24 H new ATOM 0 HD1 TRP A 114 -9.005 1.188 -16.808 1.00 25.15 H new ATOM 0 HE1 TRP A 114 -6.550 0.370 -16.770 1.00 43.22 H new ATOM 0 HE3 TRP A 114 -9.603 -3.107 -19.512 1.00 12.33 H new ATOM 0 HZ2 TRP A 114 -5.108 -1.825 -17.777 1.00 10.13 H new ATOM 0 HZ3 TRP A 114 -7.633 -4.520 -19.936 1.00 64.13 H new ATOM 0 HH2 TRP A 114 -5.414 -3.887 -19.076 1.00 71.31 H new ATOM 1917 N GLU A 115 -13.583 -0.439 -20.056 1.00 53.03 N ATOM 1918 CA GLU A 115 -14.860 -1.068 -20.373 1.00 20.43 C ATOM 1919 C GLU A 115 -15.233 -2.104 -19.316 1.00 24.21 C ATOM 1920 O GLU A 115 -15.494 -3.265 -19.634 1.00 1.44 O ATOM 1921 CB GLU A 115 -14.800 -1.729 -21.751 1.00 72.25 C ATOM 1922 CG GLU A 115 -14.056 -0.906 -22.789 1.00 62.02 C ATOM 1923 CD GLU A 115 -14.664 -1.024 -24.173 1.00 60.03 C ATOM 1924 OE1 GLU A 115 -15.906 -0.959 -24.284 1.00 10.13 O ATOM 1925 OE2 GLU A 115 -13.897 -1.181 -25.146 1.00 62.32 O ATOM 0 H GLU A 115 -13.646 0.553 -19.828 1.00 53.03 H new ATOM 0 HA GLU A 115 -15.625 -0.292 -20.383 1.00 20.43 H new ATOM 0 HB2 GLU A 115 -14.318 -2.702 -21.657 1.00 72.25 H new ATOM 0 HB3 GLU A 115 -15.816 -1.909 -22.103 1.00 72.25 H new ATOM 0 HG2 GLU A 115 -14.055 0.141 -22.485 1.00 62.02 H new ATOM 0 HG3 GLU A 115 -13.015 -1.228 -22.825 1.00 62.02 H new ATOM 1932 N ASP A 116 -15.254 -1.676 -18.058 1.00 71.35 N ATOM 1933 CA ASP A 116 -15.595 -2.565 -16.954 1.00 21.31 C ATOM 1934 C ASP A 116 -15.548 -1.821 -15.623 1.00 72.11 C ATOM 1935 O ASP A 116 -16.553 -1.683 -14.926 1.00 13.43 O ATOM 1936 CB ASP A 116 -14.639 -3.759 -16.919 1.00 35.24 C ATOM 1937 CG ASP A 116 -15.272 -5.023 -17.466 1.00 72.41 C ATOM 1938 OD1 ASP A 116 -16.392 -5.362 -17.031 1.00 32.45 O ATOM 1939 OD2 ASP A 116 -14.647 -5.674 -18.329 1.00 60.54 O ATOM 0 H ASP A 116 -15.039 -0.719 -17.778 1.00 71.35 H new ATOM 0 HA ASP A 116 -16.611 -2.927 -17.112 1.00 21.31 H new ATOM 0 HB2 ASP A 116 -13.746 -3.523 -17.498 1.00 35.24 H new ATOM 0 HB3 ASP A 116 -14.316 -3.933 -15.892 1.00 35.24 H new ATOM 1944 N PRO A 117 -14.353 -1.331 -15.260 1.00 55.04 N ATOM 1945 CA PRO A 117 -14.147 -0.593 -14.011 1.00 22.23 C ATOM 1946 C PRO A 117 -14.813 0.778 -14.030 1.00 51.21 C ATOM 1947 O PRO A 117 -15.713 1.053 -13.235 1.00 61.45 O ATOM 1948 CB PRO A 117 -12.625 -0.447 -13.932 1.00 70.25 C ATOM 1949 CG PRO A 117 -12.164 -0.522 -15.347 1.00 51.21 C ATOM 1950 CD PRO A 117 -13.113 -1.459 -16.043 1.00 5.32 C ATOM 0 HA PRO A 117 -14.585 -1.109 -13.156 1.00 22.23 H new ATOM 0 HB2 PRO A 117 -12.341 0.500 -13.473 1.00 70.25 H new ATOM 0 HB3 PRO A 117 -12.182 -1.239 -13.329 1.00 70.25 H new ATOM 0 HG2 PRO A 117 -12.176 0.463 -15.814 1.00 51.21 H new ATOM 0 HG3 PRO A 117 -11.140 -0.890 -15.405 1.00 51.21 H new ATOM 0 HD2 PRO A 117 -13.265 -1.177 -17.085 1.00 5.32 H new ATOM 0 HD3 PRO A 117 -12.740 -2.483 -16.041 1.00 5.32 H new ATOM 1958 N ILE A 118 -14.366 1.635 -14.942 1.00 54.11 N ATOM 1959 CA ILE A 118 -14.921 2.977 -15.065 1.00 53.30 C ATOM 1960 C ILE A 118 -16.230 2.961 -15.847 1.00 52.52 C ATOM 1961 O ILE A 118 -16.971 3.945 -15.857 1.00 64.15 O ATOM 1962 CB ILE A 118 -13.933 3.934 -15.759 1.00 33.52 C ATOM 1963 CG1 ILE A 118 -14.012 3.769 -17.278 1.00 51.10 C ATOM 1964 CG2 ILE A 118 -12.516 3.680 -15.266 1.00 14.30 C ATOM 1965 CD1 ILE A 118 -13.571 2.406 -17.762 1.00 25.41 C ATOM 0 H ILE A 118 -13.621 1.424 -15.606 1.00 54.11 H new ATOM 0 HA ILE A 118 -15.110 3.334 -14.053 1.00 53.30 H new ATOM 0 HB ILE A 118 -14.206 4.959 -15.509 1.00 33.52 H new ATOM 0 HG12 ILE A 118 -15.038 3.946 -17.602 1.00 51.10 H new ATOM 0 HG13 ILE A 118 -13.393 4.531 -17.751 1.00 51.10 H new ATOM 0 HG21 ILE A 118 -11.829 4.363 -15.765 1.00 14.30 H new ATOM 0 HG22 ILE A 118 -12.471 3.842 -14.189 1.00 14.30 H new ATOM 0 HG23 ILE A 118 -12.232 2.652 -15.490 1.00 14.30 H new ATOM 0 HD11 ILE A 118 -13.654 2.361 -18.848 1.00 25.41 H new ATOM 0 HD12 ILE A 118 -12.535 2.234 -17.469 1.00 25.41 H new ATOM 0 HD13 ILE A 118 -14.206 1.639 -17.318 1.00 25.41 H new ATOM 1977 N TRP A 119 -16.509 1.839 -16.499 1.00 75.22 N ATOM 1978 CA TRP A 119 -17.731 1.694 -17.283 1.00 40.11 C ATOM 1979 C TRP A 119 -18.959 1.683 -16.380 1.00 33.21 C ATOM 1980 O TRP A 119 -19.972 2.311 -16.688 1.00 3.24 O ATOM 1981 CB TRP A 119 -17.680 0.410 -18.112 1.00 33.41 C ATOM 1982 CG TRP A 119 -18.640 0.407 -19.263 1.00 13.10 C ATOM 1983 CD1 TRP A 119 -19.097 1.494 -19.951 1.00 52.54 C ATOM 1984 CD2 TRP A 119 -19.262 -0.737 -19.858 1.00 20.22 C ATOM 1985 NE1 TRP A 119 -19.966 1.095 -20.938 1.00 63.04 N ATOM 1986 CE2 TRP A 119 -20.083 -0.269 -20.902 1.00 60.35 C ATOM 1987 CE3 TRP A 119 -19.204 -2.111 -19.611 1.00 65.53 C ATOM 1988 CZ2 TRP A 119 -20.839 -1.128 -21.696 1.00 43.24 C ATOM 1989 CZ3 TRP A 119 -19.954 -2.962 -20.400 1.00 34.21 C ATOM 1990 CH2 TRP A 119 -20.763 -2.468 -21.433 1.00 25.53 C ATOM 0 H TRP A 119 -15.906 1.016 -16.501 1.00 75.22 H new ATOM 0 HA TRP A 119 -17.806 2.549 -17.955 1.00 40.11 H new ATOM 0 HB2 TRP A 119 -16.668 0.272 -18.492 1.00 33.41 H new ATOM 0 HB3 TRP A 119 -17.897 -0.440 -17.465 1.00 33.41 H new ATOM 0 HD1 TRP A 119 -18.817 2.517 -19.749 1.00 52.54 H new ATOM 0 HE1 TRP A 119 -20.446 1.714 -21.591 1.00 63.04 H new ATOM 0 HE3 TRP A 119 -18.584 -2.501 -18.817 1.00 65.53 H new ATOM 0 HZ2 TRP A 119 -21.463 -0.749 -22.492 1.00 43.24 H new ATOM 0 HZ3 TRP A 119 -19.916 -4.026 -20.218 1.00 34.21 H new ATOM 0 HH2 TRP A 119 -21.337 -3.159 -22.033 1.00 25.53 H new ATOM 2001 N GLN A 120 -18.862 0.965 -15.265 1.00 54.33 N ATOM 2002 CA GLN A 120 -19.967 0.873 -14.318 1.00 53.13 C ATOM 2003 C GLN A 120 -19.683 1.698 -13.068 1.00 3.33 C ATOM 2004 O GLN A 120 -20.255 2.772 -12.877 1.00 21.45 O ATOM 2005 CB GLN A 120 -20.218 -0.586 -13.935 1.00 24.42 C ATOM 2006 CG GLN A 120 -21.210 -1.293 -14.844 1.00 12.20 C ATOM 2007 CD GLN A 120 -20.699 -1.439 -16.264 1.00 14.12 C ATOM 2008 OE1 GLN A 120 -19.614 -1.973 -16.493 1.00 42.45 O ATOM 2009 NE2 GLN A 120 -21.482 -0.964 -17.226 1.00 64.43 N ATOM 0 H GLN A 120 -18.030 0.439 -14.996 1.00 54.33 H new ATOM 0 HA GLN A 120 -20.859 1.273 -14.800 1.00 53.13 H new ATOM 0 HB2 GLN A 120 -19.271 -1.126 -13.955 1.00 24.42 H new ATOM 0 HB3 GLN A 120 -20.586 -0.625 -12.910 1.00 24.42 H new ATOM 0 HG2 GLN A 120 -21.430 -2.280 -14.438 1.00 12.20 H new ATOM 0 HG3 GLN A 120 -22.147 -0.737 -14.855 1.00 12.20 H new ATOM 0 HE21 GLN A 120 -22.374 -0.529 -16.990 1.00 64.43 H new ATOM 0 HE22 GLN A 120 -21.192 -1.034 -18.201 1.00 64.43 H new ATOM 2018 N TYR A 121 -18.796 1.190 -12.219 1.00 50.31 N ATOM 2019 CA TYR A 121 -18.438 1.879 -10.985 1.00 4.00 C ATOM 2020 C TYR A 121 -17.249 1.202 -10.309 1.00 11.22 C ATOM 2021 O TYR A 121 -16.717 0.212 -10.811 1.00 22.23 O ATOM 2022 CB TYR A 121 -19.631 1.912 -10.029 1.00 75.14 C ATOM 2023 CG TYR A 121 -19.809 3.240 -9.328 1.00 31.52 C ATOM 2024 CD1 TYR A 121 -20.233 4.365 -10.024 1.00 65.32 C ATOM 2025 CD2 TYR A 121 -19.554 3.368 -7.968 1.00 13.21 C ATOM 2026 CE1 TYR A 121 -20.395 5.580 -9.387 1.00 73.43 C ATOM 2027 CE2 TYR A 121 -19.716 4.579 -7.322 1.00 62.14 C ATOM 2028 CZ TYR A 121 -20.136 5.682 -8.036 1.00 60.34 C ATOM 2029 OH TYR A 121 -20.298 6.890 -7.398 1.00 73.10 O ATOM 0 H TYR A 121 -18.312 0.304 -12.363 1.00 50.31 H new ATOM 0 HA TYR A 121 -18.156 2.901 -11.238 1.00 4.00 H new ATOM 0 HB2 TYR A 121 -20.539 1.680 -10.586 1.00 75.14 H new ATOM 0 HB3 TYR A 121 -19.508 1.129 -9.281 1.00 75.14 H new ATOM 0 HD1 TYR A 121 -20.440 4.288 -11.081 1.00 65.32 H new ATOM 0 HD2 TYR A 121 -19.224 2.507 -7.406 1.00 13.21 H new ATOM 0 HE1 TYR A 121 -20.723 6.445 -9.944 1.00 73.43 H new ATOM 0 HE2 TYR A 121 -19.515 4.661 -6.264 1.00 62.14 H new ATOM 0 HH TYR A 121 -20.075 6.791 -6.449 1.00 73.10 H new ATOM 2039 N ILE A 122 -16.839 1.744 -9.167 1.00 34.01 N ATOM 2040 CA ILE A 122 -15.716 1.192 -8.420 1.00 44.42 C ATOM 2041 C ILE A 122 -15.950 -0.275 -8.078 1.00 61.03 C ATOM 2042 O ILE A 122 -16.068 -0.640 -6.908 1.00 42.15 O ATOM 2043 CB ILE A 122 -15.465 1.977 -7.119 1.00 44.31 C ATOM 2044 CG1 ILE A 122 -16.768 2.133 -6.332 1.00 64.41 C ATOM 2045 CG2 ILE A 122 -14.862 3.339 -7.430 1.00 3.11 C ATOM 2046 CD1 ILE A 122 -16.561 2.243 -4.838 1.00 33.44 C ATOM 0 H ILE A 122 -17.268 2.565 -8.739 1.00 34.01 H new ATOM 0 HA ILE A 122 -14.839 1.277 -9.061 1.00 44.42 H new ATOM 0 HB ILE A 122 -14.757 1.419 -6.506 1.00 44.31 H new ATOM 0 HG12 ILE A 122 -17.292 3.021 -6.685 1.00 64.41 H new ATOM 0 HG13 ILE A 122 -17.413 1.279 -6.540 1.00 64.41 H new ATOM 0 HG21 ILE A 122 -14.690 3.882 -6.500 1.00 3.11 H new ATOM 0 HG22 ILE A 122 -13.915 3.207 -7.953 1.00 3.11 H new ATOM 0 HG23 ILE A 122 -15.548 3.906 -8.060 1.00 3.11 H new ATOM 0 HD11 ILE A 122 -17.527 2.351 -4.344 1.00 33.44 H new ATOM 0 HD12 ILE A 122 -16.065 1.344 -4.472 1.00 33.44 H new ATOM 0 HD13 ILE A 122 -15.942 3.113 -4.620 1.00 33.44 H new TER 2058 ILE A 122