USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1081 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 69 TYR OH : rot -74:sc= 0.821 USER MOD Set 1.2: A 104 HIS :FLIP no HD1:sc= 0.411 F(o=-0.26,f=1.2) USER MOD Set 2.1: A 68 THR OG1 : rot 180:sc=0.000111 USER MOD Set 2.2: A 121 SER OG : rot -38:sc= -1.14 USER MOD Set 3.1: A 15 LYS NZ :NH3+ -177:sc= 0 (180deg=0) USER MOD Set 3.2: A 114 MET CE :methyl -132:sc= -0.0676 (180deg=-0.632) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.476 (180deg=-0.144) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 113:sc= 1.27 USER MOD Single : A 7 HIS : no HD1:sc= -1.23 X(o=-1.2,f=-0.97) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0552 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 61:sc= 1.13 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 37 CYS SG : rot 159:sc= 1.88 USER MOD Single : A 41 CYS SG : rot 31:sc= 0.103 USER MOD Single : A 43 ASN : amide:sc= -0.0339 K(o=-0.034,f=-3.7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -129:sc= -4.86! (180deg=-8.61!) USER MOD Single : A 63 GLN :FLIP amide:sc= 0.198 F(o=-2.8!,f=0.2) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 78 LYS NZ :NH3+ 142:sc= 0.897 (180deg=0.048) USER MOD Single : A 81 ASN : amide:sc= -0.443 X(o=-0.44,f=-0.46) USER MOD Single : A 83 THR OG1 : rot 64:sc= 0.865 USER MOD Single : A 88 ASN : amide:sc= -0.0965 X(o=-0.097,f=-0.31) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 51:sc= 0.474 USER MOD Single : A 106 LYS NZ :NH3+ -127:sc= -1.66! (180deg=-5.11!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 61:sc= 0.205 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.418 -0.758 -1.069 1.00 21.14 N ATOM 2 CA MET A 1 1.517 -0.605 -0.122 1.00 71.40 C ATOM 3 C MET A 1 2.467 -1.796 -0.196 1.00 23.23 C ATOM 4 O MET A 1 2.936 -2.294 0.828 1.00 22.43 O ATOM 5 CB MET A 1 0.975 -0.458 1.301 1.00 4.52 C ATOM 6 CG MET A 1 0.162 -1.653 1.769 1.00 33.21 C ATOM 7 SD MET A 1 -1.594 -1.487 1.396 1.00 75.23 S ATOM 8 CE MET A 1 -2.137 -0.468 2.765 1.00 30.43 C ATOM 0 H1 MET A 1 0.486 -0.023 -1.801 1.00 21.14 H new ATOM 0 H2 MET A 1 0.471 -1.696 -1.514 1.00 21.14 H new ATOM 0 H3 MET A 1 -0.488 -0.664 -0.567 1.00 21.14 H new ATOM 0 HA MET A 1 2.070 0.296 -0.387 1.00 71.40 H new ATOM 0 HB2 MET A 1 1.810 -0.307 1.985 1.00 4.52 H new ATOM 0 HB3 MET A 1 0.354 0.436 1.354 1.00 4.52 H new ATOM 0 HG2 MET A 1 0.546 -2.557 1.296 1.00 33.21 H new ATOM 0 HG3 MET A 1 0.291 -1.777 2.844 1.00 33.21 H new ATOM 0 HE1 MET A 1 -3.206 -0.277 2.675 1.00 30.43 H new ATOM 0 HE2 MET A 1 -1.938 -0.984 3.704 1.00 30.43 H new ATOM 0 HE3 MET A 1 -1.597 0.479 2.750 1.00 30.43 H new ATOM 18 N THR A 2 2.748 -2.249 -1.414 1.00 22.33 N ATOM 19 CA THR A 2 3.641 -3.382 -1.621 1.00 22.34 C ATOM 20 C THR A 2 4.602 -3.121 -2.775 1.00 22.32 C ATOM 21 O THR A 2 4.347 -2.271 -3.629 1.00 32.04 O ATOM 22 CB THR A 2 2.853 -4.674 -1.906 1.00 73.31 C ATOM 23 OG1 THR A 2 2.117 -4.540 -3.128 1.00 5.35 O ATOM 24 CG2 THR A 2 1.897 -4.989 -0.765 1.00 41.50 C ATOM 0 H THR A 2 2.370 -1.848 -2.272 1.00 22.33 H new ATOM 0 HA THR A 2 4.210 -3.508 -0.700 1.00 22.34 H new ATOM 0 HB THR A 2 3.565 -5.494 -1.999 1.00 73.31 H new ATOM 0 HG1 THR A 2 1.620 -5.366 -3.303 1.00 5.35 H new ATOM 0 HG21 THR A 2 1.352 -5.906 -0.990 1.00 41.50 H new ATOM 0 HG22 THR A 2 2.462 -5.120 0.158 1.00 41.50 H new ATOM 0 HG23 THR A 2 1.191 -4.167 -0.645 1.00 41.50 H new ATOM 32 N LEU A 3 5.708 -3.858 -2.796 1.00 13.51 N ATOM 33 CA LEU A 3 6.708 -3.706 -3.847 1.00 72.21 C ATOM 34 C LEU A 3 6.227 -4.336 -5.151 1.00 24.15 C ATOM 35 O LEU A 3 5.405 -5.253 -5.160 1.00 4.43 O ATOM 36 CB LEU A 3 8.030 -4.344 -3.416 1.00 52.31 C ATOM 37 CG LEU A 3 8.387 -4.212 -1.935 1.00 62.12 C ATOM 38 CD1 LEU A 3 9.737 -4.853 -1.653 1.00 3.41 C ATOM 39 CD2 LEU A 3 8.391 -2.749 -1.515 1.00 75.43 C ATOM 0 H LEU A 3 5.934 -4.566 -2.098 1.00 13.51 H new ATOM 0 HA LEU A 3 6.864 -2.640 -4.016 1.00 72.21 H new ATOM 0 HB2 LEU A 3 7.998 -5.404 -3.669 1.00 52.31 H new ATOM 0 HB3 LEU A 3 8.833 -3.900 -4.004 1.00 52.31 H new ATOM 0 HG LEU A 3 7.630 -4.735 -1.350 1.00 62.12 H new ATOM 0 HD11 LEU A 3 9.975 -4.750 -0.594 1.00 3.41 H new ATOM 0 HD12 LEU A 3 9.700 -5.910 -1.915 1.00 3.41 H new ATOM 0 HD13 LEU A 3 10.506 -4.359 -2.247 1.00 3.41 H new ATOM 0 HD21 LEU A 3 8.647 -2.675 -0.458 1.00 75.43 H new ATOM 0 HD22 LEU A 3 9.126 -2.203 -2.106 1.00 75.43 H new ATOM 0 HD23 LEU A 3 7.402 -2.320 -1.680 1.00 75.43 H new ATOM 51 N PRO A 4 6.753 -3.836 -6.279 1.00 11.03 N ATOM 52 CA PRO A 4 6.394 -4.337 -7.609 1.00 3.21 C ATOM 53 C PRO A 4 6.933 -5.740 -7.864 1.00 74.44 C ATOM 54 O PRO A 4 6.478 -6.434 -8.774 1.00 33.02 O ATOM 55 CB PRO A 4 7.053 -3.331 -8.556 1.00 51.21 C ATOM 56 CG PRO A 4 8.189 -2.765 -7.777 1.00 3.42 C ATOM 57 CD PRO A 4 7.738 -2.743 -6.343 1.00 30.34 C ATOM 0 HA PRO A 4 5.315 -4.420 -7.736 1.00 3.21 H new ATOM 0 HB2 PRO A 4 7.401 -3.816 -9.468 1.00 51.21 H new ATOM 0 HB3 PRO A 4 6.352 -2.552 -8.856 1.00 51.21 H new ATOM 0 HG2 PRO A 4 9.085 -3.374 -7.895 1.00 3.42 H new ATOM 0 HG3 PRO A 4 8.438 -1.762 -8.123 1.00 3.42 H new ATOM 0 HD2 PRO A 4 8.569 -2.910 -5.658 1.00 30.34 H new ATOM 0 HD3 PRO A 4 7.293 -1.784 -6.076 1.00 30.34 H new ATOM 65 N SER A 5 7.904 -6.153 -7.056 1.00 33.10 N ATOM 66 CA SER A 5 8.506 -7.473 -7.197 1.00 64.40 C ATOM 67 C SER A 5 7.599 -8.550 -6.610 1.00 20.31 C ATOM 68 O SER A 5 7.766 -9.737 -6.886 1.00 63.33 O ATOM 69 CB SER A 5 9.872 -7.510 -6.508 1.00 61.14 C ATOM 70 OG SER A 5 10.051 -8.721 -5.794 1.00 72.04 O ATOM 0 H SER A 5 8.291 -5.592 -6.297 1.00 33.10 H new ATOM 0 HA SER A 5 8.637 -7.673 -8.260 1.00 64.40 H new ATOM 0 HB2 SER A 5 10.661 -7.403 -7.252 1.00 61.14 H new ATOM 0 HB3 SER A 5 9.961 -6.665 -5.825 1.00 61.14 H new ATOM 0 HG SER A 5 10.754 -9.253 -6.223 1.00 72.04 H new ATOM 76 N GLY A 6 6.636 -8.126 -5.797 1.00 4.32 N ATOM 77 CA GLY A 6 5.716 -9.065 -5.183 1.00 3.15 C ATOM 78 C GLY A 6 5.949 -9.214 -3.692 1.00 60.12 C ATOM 79 O GLY A 6 5.116 -9.775 -2.979 1.00 61.03 O ATOM 0 H GLY A 6 6.477 -7.149 -5.553 1.00 4.32 H new ATOM 0 HA2 GLY A 6 4.693 -8.732 -5.356 1.00 3.15 H new ATOM 0 HA3 GLY A 6 5.820 -10.038 -5.663 1.00 3.15 H new ATOM 83 N HIS A 7 7.085 -8.712 -3.219 1.00 65.40 N ATOM 84 CA HIS A 7 7.426 -8.794 -1.803 1.00 41.41 C ATOM 85 C HIS A 7 6.709 -7.706 -1.009 1.00 21.25 C ATOM 86 O HIS A 7 6.376 -6.641 -1.528 1.00 42.04 O ATOM 87 CB HIS A 7 8.938 -8.668 -1.613 1.00 11.25 C ATOM 88 CG HIS A 7 9.582 -9.916 -1.093 1.00 20.21 C ATOM 89 ND1 HIS A 7 9.343 -11.165 -1.627 1.00 11.20 N ATOM 90 CD2 HIS A 7 10.463 -10.103 -0.082 1.00 72.23 C ATOM 91 CE1 HIS A 7 10.047 -12.066 -0.966 1.00 64.12 C ATOM 92 NE2 HIS A 7 10.736 -11.448 -0.024 1.00 1.31 N ATOM 0 H HIS A 7 7.785 -8.244 -3.795 1.00 65.40 H new ATOM 0 HA HIS A 7 7.101 -9.766 -1.431 1.00 41.41 H new ATOM 0 HB2 HIS A 7 9.395 -8.403 -2.567 1.00 11.25 H new ATOM 0 HB3 HIS A 7 9.142 -7.849 -0.923 1.00 11.25 H new ATOM 0 HD2 HIS A 7 10.874 -9.337 0.559 1.00 72.23 H new ATOM 0 HE1 HIS A 7 10.057 -13.128 -1.162 1.00 64.12 H new ATOM 0 HE2 HIS A 7 11.368 -11.897 0.639 1.00 1.31 H new ATOM 100 N PRO A 8 6.464 -7.979 0.282 1.00 63.34 N ATOM 101 CA PRO A 8 5.784 -7.037 1.175 1.00 41.20 C ATOM 102 C PRO A 8 6.643 -5.818 1.494 1.00 21.15 C ATOM 103 O PRO A 8 7.769 -5.948 1.975 1.00 44.22 O ATOM 104 CB PRO A 8 5.536 -7.863 2.440 1.00 43.33 C ATOM 105 CG PRO A 8 6.591 -8.914 2.418 1.00 24.23 C ATOM 106 CD PRO A 8 6.833 -9.229 0.968 1.00 40.12 C ATOM 0 HA PRO A 8 4.875 -6.635 0.728 1.00 41.20 H new ATOM 0 HB2 PRO A 8 5.610 -7.247 3.336 1.00 43.33 H new ATOM 0 HB3 PRO A 8 4.539 -8.303 2.437 1.00 43.33 H new ATOM 0 HG2 PRO A 8 7.504 -8.561 2.898 1.00 24.23 H new ATOM 0 HG3 PRO A 8 6.268 -9.802 2.961 1.00 24.23 H new ATOM 0 HD2 PRO A 8 7.873 -9.497 0.783 1.00 40.12 H new ATOM 0 HD3 PRO A 8 6.223 -10.067 0.632 1.00 40.12 H new ATOM 114 N LYS A 9 6.105 -4.634 1.225 1.00 13.54 N ATOM 115 CA LYS A 9 6.821 -3.390 1.486 1.00 74.24 C ATOM 116 C LYS A 9 6.948 -3.139 2.985 1.00 71.23 C ATOM 117 O LYS A 9 8.039 -2.874 3.489 1.00 41.13 O ATOM 118 CB LYS A 9 6.101 -2.215 0.820 1.00 3.32 C ATOM 119 CG LYS A 9 6.900 -0.923 0.839 1.00 23.14 C ATOM 120 CD LYS A 9 6.238 0.155 -0.003 1.00 24.43 C ATOM 121 CE LYS A 9 5.096 0.824 0.746 1.00 72.42 C ATOM 122 NZ LYS A 9 4.871 2.220 0.281 1.00 53.30 N ATOM 0 H LYS A 9 5.175 -4.509 0.826 1.00 13.54 H new ATOM 0 HA LYS A 9 7.822 -3.481 1.065 1.00 74.24 H new ATOM 0 HB2 LYS A 9 5.874 -2.477 -0.213 1.00 3.32 H new ATOM 0 HB3 LYS A 9 5.148 -2.051 1.324 1.00 3.32 H new ATOM 0 HG2 LYS A 9 7.002 -0.572 1.866 1.00 23.14 H new ATOM 0 HG3 LYS A 9 7.906 -1.111 0.465 1.00 23.14 H new ATOM 0 HD2 LYS A 9 6.978 0.904 -0.285 1.00 24.43 H new ATOM 0 HD3 LYS A 9 5.861 -0.284 -0.927 1.00 24.43 H new ATOM 0 HE2 LYS A 9 4.183 0.244 0.610 1.00 72.42 H new ATOM 0 HE3 LYS A 9 5.315 0.828 1.814 1.00 72.42 H new ATOM 0 HZ1 LYS A 9 4.085 2.642 0.816 1.00 53.30 H new ATOM 0 HZ2 LYS A 9 5.734 2.780 0.434 1.00 53.30 H new ATOM 0 HZ3 LYS A 9 4.637 2.215 -0.732 1.00 53.30 H new ATOM 136 N SER A 10 5.826 -3.226 3.692 1.00 30.22 N ATOM 137 CA SER A 10 5.812 -3.006 5.134 1.00 62.24 C ATOM 138 C SER A 10 6.815 -3.919 5.832 1.00 23.21 C ATOM 139 O SER A 10 7.531 -3.494 6.739 1.00 32.34 O ATOM 140 CB SER A 10 4.409 -3.247 5.694 1.00 23.43 C ATOM 141 OG SER A 10 3.414 -2.872 4.758 1.00 63.34 O ATOM 0 H SER A 10 4.915 -3.447 3.290 1.00 30.22 H new ATOM 0 HA SER A 10 6.097 -1.971 5.322 1.00 62.24 H new ATOM 0 HB2 SER A 10 4.293 -4.300 5.951 1.00 23.43 H new ATOM 0 HB3 SER A 10 4.279 -2.678 6.615 1.00 23.43 H new ATOM 0 HG SER A 10 2.527 -3.038 5.140 1.00 63.34 H new ATOM 147 N ARG A 11 6.861 -5.176 5.402 1.00 0.13 N ATOM 148 CA ARG A 11 7.775 -6.150 5.986 1.00 32.34 C ATOM 149 C ARG A 11 9.226 -5.727 5.779 1.00 1.13 C ATOM 150 O ARG A 11 10.039 -5.784 6.703 1.00 14.03 O ATOM 151 CB ARG A 11 7.543 -7.532 5.371 1.00 14.43 C ATOM 152 CG ARG A 11 7.833 -8.679 6.324 1.00 21.44 C ATOM 153 CD ARG A 11 6.678 -8.911 7.286 1.00 72.12 C ATOM 154 NE ARG A 11 7.106 -9.599 8.501 1.00 44.41 N ATOM 155 CZ ARG A 11 6.351 -9.710 9.588 1.00 74.55 C ATOM 156 NH1 ARG A 11 5.134 -9.183 9.610 1.00 22.31 N ATOM 157 NH2 ARG A 11 6.811 -10.351 10.654 1.00 31.24 N ATOM 0 H ARG A 11 6.276 -5.543 4.651 1.00 0.13 H new ATOM 0 HA ARG A 11 7.578 -6.198 7.057 1.00 32.34 H new ATOM 0 HB2 ARG A 11 6.508 -7.602 5.036 1.00 14.43 H new ATOM 0 HB3 ARG A 11 8.172 -7.637 4.487 1.00 14.43 H new ATOM 0 HG2 ARG A 11 8.021 -9.589 5.754 1.00 21.44 H new ATOM 0 HG3 ARG A 11 8.740 -8.464 6.888 1.00 21.44 H new ATOM 0 HD2 ARG A 11 6.229 -7.954 7.551 1.00 72.12 H new ATOM 0 HD3 ARG A 11 5.906 -9.499 6.790 1.00 72.12 H new ATOM 0 HE ARG A 11 8.036 -10.017 8.516 1.00 44.41 H new ATOM 0 HH11 ARG A 11 4.776 -8.691 8.791 1.00 22.31 H new ATOM 0 HH12 ARG A 11 4.556 -9.269 10.446 1.00 22.31 H new ATOM 0 HH21 ARG A 11 7.746 -10.759 10.640 1.00 31.24 H new ATOM 0 HH22 ARG A 11 6.230 -10.436 11.488 1.00 31.24 H new ATOM 171 N LEU A 12 9.545 -5.303 4.561 1.00 1.15 N ATOM 172 CA LEU A 12 10.899 -4.870 4.232 1.00 33.02 C ATOM 173 C LEU A 12 11.334 -3.714 5.128 1.00 72.44 C ATOM 174 O LEU A 12 12.421 -3.740 5.706 1.00 54.20 O ATOM 175 CB LEU A 12 10.978 -4.450 2.763 1.00 31.04 C ATOM 176 CG LEU A 12 11.497 -5.508 1.790 1.00 61.53 C ATOM 177 CD1 LEU A 12 12.900 -5.948 2.177 1.00 4.14 C ATOM 178 CD2 LEU A 12 10.555 -6.703 1.748 1.00 52.43 C ATOM 0 H LEU A 12 8.885 -5.250 3.785 1.00 1.15 H new ATOM 0 HA LEU A 12 11.574 -5.709 4.400 1.00 33.02 H new ATOM 0 HB2 LEU A 12 9.983 -4.144 2.439 1.00 31.04 H new ATOM 0 HB3 LEU A 12 11.620 -3.572 2.691 1.00 31.04 H new ATOM 0 HG LEU A 12 11.538 -5.067 0.794 1.00 61.53 H new ATOM 0 HD11 LEU A 12 13.252 -6.701 1.473 1.00 4.14 H new ATOM 0 HD12 LEU A 12 13.570 -5.089 2.154 1.00 4.14 H new ATOM 0 HD13 LEU A 12 12.885 -6.370 3.182 1.00 4.14 H new ATOM 0 HD21 LEU A 12 10.941 -7.446 1.050 1.00 52.43 H new ATOM 0 HD22 LEU A 12 10.481 -7.143 2.742 1.00 52.43 H new ATOM 0 HD23 LEU A 12 9.568 -6.377 1.421 1.00 52.43 H new ATOM 190 N ILE A 13 10.478 -2.704 5.239 1.00 70.14 N ATOM 191 CA ILE A 13 10.773 -1.541 6.066 1.00 31.13 C ATOM 192 C ILE A 13 10.979 -1.941 7.523 1.00 32.33 C ATOM 193 O ILE A 13 11.930 -1.504 8.171 1.00 42.43 O ATOM 194 CB ILE A 13 9.646 -0.494 5.988 1.00 45.24 C ATOM 195 CG1 ILE A 13 9.468 -0.013 4.546 1.00 15.32 C ATOM 196 CG2 ILE A 13 9.948 0.678 6.910 1.00 53.35 C ATOM 197 CD1 ILE A 13 10.649 0.772 4.020 1.00 31.10 C ATOM 0 H ILE A 13 9.575 -2.668 4.767 1.00 70.14 H new ATOM 0 HA ILE A 13 11.693 -1.103 5.678 1.00 31.13 H new ATOM 0 HB ILE A 13 8.715 -0.957 6.315 1.00 45.24 H new ATOM 0 HG12 ILE A 13 9.300 -0.876 3.902 1.00 15.32 H new ATOM 0 HG13 ILE A 13 8.574 0.608 4.487 1.00 15.32 H new ATOM 0 HG21 ILE A 13 9.143 1.410 6.844 1.00 53.35 H new ATOM 0 HG22 ILE A 13 10.031 0.321 7.937 1.00 53.35 H new ATOM 0 HG23 ILE A 13 10.887 1.144 6.611 1.00 53.35 H new ATOM 0 HD11 ILE A 13 10.453 1.080 2.993 1.00 31.10 H new ATOM 0 HD12 ILE A 13 10.805 1.655 4.640 1.00 31.10 H new ATOM 0 HD13 ILE A 13 11.542 0.148 4.047 1.00 31.10 H new ATOM 209 N LYS A 14 10.082 -2.778 8.034 1.00 54.13 N ATOM 210 CA LYS A 14 10.165 -3.241 9.414 1.00 71.33 C ATOM 211 C LYS A 14 11.455 -4.020 9.649 1.00 3.11 C ATOM 212 O LYS A 14 12.108 -3.863 10.681 1.00 1.22 O ATOM 213 CB LYS A 14 8.958 -4.119 9.752 1.00 20.13 C ATOM 214 CG LYS A 14 7.654 -3.348 9.852 1.00 14.53 C ATOM 215 CD LYS A 14 7.452 -2.772 11.244 1.00 55.42 C ATOM 216 CE LYS A 14 8.114 -1.410 11.385 1.00 4.01 C ATOM 217 NZ LYS A 14 7.401 -0.545 12.365 1.00 2.13 N ATOM 0 H LYS A 14 9.288 -3.150 7.512 1.00 54.13 H new ATOM 0 HA LYS A 14 10.165 -2.367 10.065 1.00 71.33 H new ATOM 0 HB2 LYS A 14 8.856 -4.891 8.989 1.00 20.13 H new ATOM 0 HB3 LYS A 14 9.143 -4.628 10.698 1.00 20.13 H new ATOM 0 HG2 LYS A 14 7.650 -2.541 9.119 1.00 14.53 H new ATOM 0 HG3 LYS A 14 6.821 -4.006 9.605 1.00 14.53 H new ATOM 0 HD2 LYS A 14 6.386 -2.682 11.451 1.00 55.42 H new ATOM 0 HD3 LYS A 14 7.864 -3.457 11.985 1.00 55.42 H new ATOM 0 HE2 LYS A 14 9.149 -1.540 11.701 1.00 4.01 H new ATOM 0 HE3 LYS A 14 8.137 -0.915 10.414 1.00 4.01 H new ATOM 0 HZ1 LYS A 14 7.883 0.374 12.432 1.00 2.13 H new ATOM 0 HZ2 LYS A 14 6.420 -0.399 12.050 1.00 2.13 H new ATOM 0 HZ3 LYS A 14 7.401 -1.005 13.298 1.00 2.13 H new ATOM 231 N LYS A 15 11.819 -4.859 8.685 1.00 32.13 N ATOM 232 CA LYS A 15 13.033 -5.661 8.786 1.00 53.45 C ATOM 233 C LYS A 15 14.275 -4.777 8.726 1.00 74.04 C ATOM 234 O LYS A 15 15.167 -4.886 9.567 1.00 42.25 O ATOM 235 CB LYS A 15 13.077 -6.698 7.662 1.00 64.43 C ATOM 236 CG LYS A 15 12.293 -7.962 7.969 1.00 32.12 C ATOM 237 CD LYS A 15 12.421 -8.984 6.852 1.00 42.11 C ATOM 238 CE LYS A 15 11.748 -8.502 5.576 1.00 35.41 C ATOM 239 NZ LYS A 15 11.451 -9.628 4.647 1.00 53.31 N ATOM 0 H LYS A 15 11.290 -5.001 7.824 1.00 32.13 H new ATOM 0 HA LYS A 15 13.021 -6.175 9.747 1.00 53.45 H new ATOM 0 HB2 LYS A 15 12.684 -6.249 6.750 1.00 64.43 H new ATOM 0 HB3 LYS A 15 14.116 -6.964 7.465 1.00 64.43 H new ATOM 0 HG2 LYS A 15 12.651 -8.396 8.903 1.00 32.12 H new ATOM 0 HG3 LYS A 15 11.242 -7.713 8.116 1.00 32.12 H new ATOM 0 HD2 LYS A 15 13.475 -9.181 6.657 1.00 42.11 H new ATOM 0 HD3 LYS A 15 11.974 -9.927 7.167 1.00 42.11 H new ATOM 0 HE2 LYS A 15 10.822 -7.984 5.827 1.00 35.41 H new ATOM 0 HE3 LYS A 15 12.392 -7.779 5.076 1.00 35.41 H new ATOM 0 HZ1 LYS A 15 11.039 -9.254 3.768 1.00 53.31 H new ATOM 0 HZ2 LYS A 15 12.330 -10.138 4.428 1.00 53.31 H new ATOM 0 HZ3 LYS A 15 10.776 -10.279 5.096 1.00 53.31 H new ATOM 253 N PHE A 16 14.325 -3.901 7.727 1.00 34.32 N ATOM 254 CA PHE A 16 15.457 -2.998 7.558 1.00 21.43 C ATOM 255 C PHE A 16 15.641 -2.120 8.792 1.00 11.32 C ATOM 256 O PHE A 16 16.738 -1.631 9.064 1.00 63.32 O ATOM 257 CB PHE A 16 15.258 -2.123 6.320 1.00 51.54 C ATOM 258 CG PHE A 16 15.438 -2.864 5.026 1.00 45.11 C ATOM 259 CD1 PHE A 16 16.524 -3.705 4.840 1.00 35.30 C ATOM 260 CD2 PHE A 16 14.523 -2.720 3.996 1.00 40.21 C ATOM 261 CE1 PHE A 16 16.692 -4.388 3.650 1.00 3.02 C ATOM 262 CE2 PHE A 16 14.686 -3.400 2.804 1.00 64.30 C ATOM 263 CZ PHE A 16 15.772 -4.236 2.631 1.00 20.34 C ATOM 0 H PHE A 16 13.594 -3.798 7.023 1.00 34.32 H new ATOM 0 HA PHE A 16 16.355 -3.602 7.426 1.00 21.43 H new ATOM 0 HB2 PHE A 16 14.257 -1.692 6.347 1.00 51.54 H new ATOM 0 HB3 PHE A 16 15.963 -1.293 6.355 1.00 51.54 H new ATOM 0 HD1 PHE A 16 17.247 -3.828 5.633 1.00 35.30 H new ATOM 0 HD2 PHE A 16 13.672 -2.068 4.126 1.00 40.21 H new ATOM 0 HE1 PHE A 16 17.542 -5.040 3.517 1.00 3.02 H new ATOM 0 HE2 PHE A 16 13.965 -3.278 2.009 1.00 64.30 H new ATOM 0 HZ PHE A 16 15.901 -4.770 1.701 1.00 20.34 H new ATOM 273 N THR A 17 14.558 -1.922 9.537 1.00 14.41 N ATOM 274 CA THR A 17 14.597 -1.101 10.741 1.00 43.02 C ATOM 275 C THR A 17 15.456 -1.750 11.820 1.00 11.25 C ATOM 276 O THR A 17 15.939 -1.077 12.730 1.00 10.43 O ATOM 277 CB THR A 17 13.184 -0.858 11.302 1.00 34.21 C ATOM 278 OG1 THR A 17 12.386 -0.163 10.337 1.00 20.20 O ATOM 279 CG2 THR A 17 13.244 -0.053 12.592 1.00 61.44 C ATOM 0 H THR A 17 13.642 -2.319 9.327 1.00 14.41 H new ATOM 0 HA THR A 17 15.036 -0.144 10.457 1.00 43.02 H new ATOM 0 HB THR A 17 12.732 -1.826 11.517 1.00 34.21 H new ATOM 0 HG1 THR A 17 12.312 -0.704 9.523 1.00 20.20 H new ATOM 0 HG21 THR A 17 12.234 0.106 12.969 1.00 61.44 H new ATOM 0 HG22 THR A 17 13.827 -0.598 13.334 1.00 61.44 H new ATOM 0 HG23 THR A 17 13.715 0.911 12.398 1.00 61.44 H new ATOM 287 N ALA A 18 15.642 -3.061 11.713 1.00 64.20 N ATOM 288 CA ALA A 18 16.445 -3.800 12.679 1.00 25.31 C ATOM 289 C ALA A 18 17.935 -3.627 12.402 1.00 10.31 C ATOM 290 O ALA A 18 18.778 -4.071 13.183 1.00 40.42 O ATOM 291 CB ALA A 18 16.071 -5.275 12.658 1.00 2.15 C ATOM 0 H ALA A 18 15.247 -3.634 10.967 1.00 64.20 H new ATOM 0 HA ALA A 18 16.237 -3.397 13.670 1.00 25.31 H new ATOM 0 HB1 ALA A 18 16.679 -5.815 13.384 1.00 2.15 H new ATOM 0 HB2 ALA A 18 15.017 -5.387 12.912 1.00 2.15 H new ATOM 0 HB3 ALA A 18 16.249 -5.681 11.662 1.00 2.15 H new ATOM 297 N LEU A 19 18.253 -2.979 11.286 1.00 32.45 N ATOM 298 CA LEU A 19 19.642 -2.748 10.906 1.00 51.52 C ATOM 299 C LEU A 19 20.055 -1.310 11.203 1.00 3.22 C ATOM 300 O LEU A 19 21.170 -0.895 10.887 1.00 34.40 O ATOM 301 CB LEU A 19 19.841 -3.051 9.420 1.00 44.53 C ATOM 302 CG LEU A 19 19.392 -4.435 8.951 1.00 54.34 C ATOM 303 CD1 LEU A 19 19.521 -4.555 7.440 1.00 1.51 C ATOM 304 CD2 LEU A 19 20.199 -5.522 9.645 1.00 42.41 C ATOM 0 H LEU A 19 17.568 -2.605 10.629 1.00 32.45 H new ATOM 0 HA LEU A 19 20.271 -3.416 11.494 1.00 51.52 H new ATOM 0 HB2 LEU A 19 19.302 -2.301 8.841 1.00 44.53 H new ATOM 0 HB3 LEU A 19 20.899 -2.935 9.185 1.00 44.53 H new ATOM 0 HG LEU A 19 18.343 -4.564 9.217 1.00 54.34 H new ATOM 0 HD11 LEU A 19 19.197 -5.547 7.125 1.00 1.51 H new ATOM 0 HD12 LEU A 19 18.898 -3.800 6.961 1.00 1.51 H new ATOM 0 HD13 LEU A 19 20.561 -4.404 7.150 1.00 1.51 H new ATOM 0 HD21 LEU A 19 19.865 -6.500 9.299 1.00 42.41 H new ATOM 0 HD22 LEU A 19 21.256 -5.396 9.411 1.00 42.41 H new ATOM 0 HD23 LEU A 19 20.055 -5.450 10.723 1.00 42.41 H new ATOM 316 N GLY A 20 19.149 -0.553 11.816 1.00 64.41 N ATOM 317 CA GLY A 20 19.439 0.829 12.148 1.00 45.20 C ATOM 318 C GLY A 20 18.191 1.617 12.492 1.00 40.12 C ATOM 319 O GLY A 20 17.213 1.077 13.009 1.00 72.14 O ATOM 0 H GLY A 20 18.220 -0.873 12.088 1.00 64.41 H new ATOM 0 HA2 GLY A 20 20.128 0.860 12.992 1.00 45.20 H new ATOM 0 HA3 GLY A 20 19.944 1.303 11.306 1.00 45.20 H new ATOM 323 N PRO A 21 18.215 2.927 12.204 1.00 62.11 N ATOM 324 CA PRO A 21 17.085 3.819 12.479 1.00 73.24 C ATOM 325 C PRO A 21 15.893 3.541 11.569 1.00 33.02 C ATOM 326 O PRO A 21 16.004 2.799 10.593 1.00 61.10 O ATOM 327 CB PRO A 21 17.656 5.212 12.201 1.00 61.51 C ATOM 328 CG PRO A 21 18.767 4.980 11.236 1.00 71.33 C ATOM 329 CD PRO A 21 19.348 3.638 11.587 1.00 32.04 C ATOM 0 HA PRO A 21 16.705 3.694 13.493 1.00 73.24 H new ATOM 0 HB2 PRO A 21 16.899 5.874 11.781 1.00 61.51 H new ATOM 0 HB3 PRO A 21 18.018 5.681 13.116 1.00 61.51 H new ATOM 0 HG2 PRO A 21 18.401 4.990 10.209 1.00 71.33 H new ATOM 0 HG3 PRO A 21 19.521 5.764 11.313 1.00 71.33 H new ATOM 0 HD2 PRO A 21 19.717 3.116 10.704 1.00 32.04 H new ATOM 0 HD3 PRO A 21 20.187 3.731 12.276 1.00 32.04 H new ATOM 337 N TYR A 22 14.753 4.141 11.895 1.00 24.02 N ATOM 338 CA TYR A 22 13.540 3.956 11.108 1.00 11.33 C ATOM 339 C TYR A 22 13.733 4.461 9.682 1.00 44.42 C ATOM 340 O TYR A 22 14.269 5.548 9.464 1.00 43.51 O ATOM 341 CB TYR A 22 12.366 4.685 11.764 1.00 33.23 C ATOM 342 CG TYR A 22 12.063 4.205 13.166 1.00 53.50 C ATOM 343 CD1 TYR A 22 11.476 2.965 13.386 1.00 41.41 C ATOM 344 CD2 TYR A 22 12.364 4.993 14.271 1.00 70.24 C ATOM 345 CE1 TYR A 22 11.197 2.524 14.665 1.00 52.13 C ATOM 346 CE2 TYR A 22 12.090 4.559 15.553 1.00 34.12 C ATOM 347 CZ TYR A 22 11.506 3.324 15.745 1.00 15.10 C ATOM 348 OH TYR A 22 11.230 2.887 17.021 1.00 42.44 O ATOM 0 H TYR A 22 14.644 4.759 12.699 1.00 24.02 H new ATOM 0 HA TYR A 22 13.322 2.889 11.070 1.00 11.33 H new ATOM 0 HB2 TYR A 22 12.583 5.753 11.793 1.00 33.23 H new ATOM 0 HB3 TYR A 22 11.478 4.557 11.145 1.00 33.23 H new ATOM 0 HD1 TYR A 22 11.234 2.335 12.543 1.00 41.41 H new ATOM 0 HD2 TYR A 22 12.820 5.961 14.124 1.00 70.24 H new ATOM 0 HE1 TYR A 22 10.739 1.558 14.818 1.00 52.13 H new ATOM 0 HE2 TYR A 22 12.332 5.183 16.401 1.00 34.12 H new ATOM 0 HH TYR A 22 11.510 3.568 17.668 1.00 42.44 H new ATOM 358 N ILE A 23 13.293 3.665 8.714 1.00 34.42 N ATOM 359 CA ILE A 23 13.415 4.031 7.309 1.00 61.34 C ATOM 360 C ILE A 23 12.331 5.023 6.903 1.00 51.15 C ATOM 361 O ILE A 23 11.192 4.937 7.363 1.00 63.33 O ATOM 362 CB ILE A 23 13.331 2.794 6.395 1.00 22.53 C ATOM 363 CG1 ILE A 23 14.458 1.812 6.724 1.00 1.23 C ATOM 364 CG2 ILE A 23 13.394 3.209 4.933 1.00 14.42 C ATOM 365 CD1 ILE A 23 14.136 0.886 7.876 1.00 11.43 C ATOM 0 H ILE A 23 12.848 2.762 8.877 1.00 34.42 H new ATOM 0 HA ILE A 23 14.393 4.496 7.188 1.00 61.34 H new ATOM 0 HB ILE A 23 12.377 2.296 6.570 1.00 22.53 H new ATOM 0 HG12 ILE A 23 14.678 1.215 5.839 1.00 1.23 H new ATOM 0 HG13 ILE A 23 15.361 2.374 6.962 1.00 1.23 H new ATOM 0 HG21 ILE A 23 13.333 2.323 4.300 1.00 14.42 H new ATOM 0 HG22 ILE A 23 12.560 3.874 4.707 1.00 14.42 H new ATOM 0 HG23 ILE A 23 14.334 3.728 4.742 1.00 14.42 H new ATOM 0 HD11 ILE A 23 14.979 0.218 8.053 1.00 11.43 H new ATOM 0 HD12 ILE A 23 13.945 1.474 8.773 1.00 11.43 H new ATOM 0 HD13 ILE A 23 13.252 0.297 7.633 1.00 11.43 H new ATOM 377 N ARG A 24 12.692 5.964 6.036 1.00 1.13 N ATOM 378 CA ARG A 24 11.750 6.973 5.567 1.00 31.11 C ATOM 379 C ARG A 24 10.817 6.394 4.508 1.00 53.25 C ATOM 380 O ARG A 24 11.167 6.325 3.330 1.00 23.41 O ATOM 381 CB ARG A 24 12.501 8.177 4.997 1.00 3.44 C ATOM 382 CG ARG A 24 12.830 9.237 6.036 1.00 12.31 C ATOM 383 CD ARG A 24 13.636 8.658 7.188 1.00 72.41 C ATOM 384 NE ARG A 24 14.296 9.698 7.972 1.00 62.20 N ATOM 385 CZ ARG A 24 14.801 9.496 9.184 1.00 64.53 C ATOM 386 NH1 ARG A 24 14.722 8.298 9.747 1.00 25.10 N ATOM 387 NH2 ARG A 24 15.388 10.492 9.834 1.00 15.44 N ATOM 0 H ARG A 24 13.630 6.048 5.644 1.00 1.13 H new ATOM 0 HA ARG A 24 11.150 7.297 6.417 1.00 31.11 H new ATOM 0 HB2 ARG A 24 13.427 7.832 4.536 1.00 3.44 H new ATOM 0 HB3 ARG A 24 11.901 8.628 4.207 1.00 3.44 H new ATOM 0 HG2 ARG A 24 13.392 10.045 5.567 1.00 12.31 H new ATOM 0 HG3 ARG A 24 11.907 9.671 6.419 1.00 12.31 H new ATOM 0 HD2 ARG A 24 12.978 8.079 7.836 1.00 72.41 H new ATOM 0 HD3 ARG A 24 14.385 7.969 6.796 1.00 72.41 H new ATOM 0 HE ARG A 24 14.374 10.631 7.567 1.00 62.20 H new ATOM 0 HH11 ARG A 24 14.273 7.529 9.249 1.00 25.10 H new ATOM 0 HH12 ARG A 24 15.110 8.145 10.678 1.00 25.10 H new ATOM 0 HH21 ARG A 24 15.452 11.414 9.403 1.00 15.44 H new ATOM 0 HH22 ARG A 24 15.775 10.336 10.765 1.00 15.44 H new ATOM 401 N GLU A 25 9.628 5.980 4.935 1.00 0.44 N ATOM 402 CA GLU A 25 8.646 5.407 4.023 1.00 32.30 C ATOM 403 C GLU A 25 8.413 6.325 2.827 1.00 51.03 C ATOM 404 O GLU A 25 8.565 7.542 2.925 1.00 21.25 O ATOM 405 CB GLU A 25 7.324 5.156 4.753 1.00 44.34 C ATOM 406 CG GLU A 25 7.459 4.245 5.961 1.00 63.55 C ATOM 407 CD GLU A 25 6.304 4.388 6.932 1.00 75.13 C ATOM 408 OE1 GLU A 25 5.996 5.534 7.322 1.00 23.22 O ATOM 409 OE2 GLU A 25 5.707 3.355 7.301 1.00 13.32 O ATOM 0 H GLU A 25 9.322 6.031 5.907 1.00 0.44 H new ATOM 0 HA GLU A 25 9.038 4.457 3.659 1.00 32.30 H new ATOM 0 HB2 GLU A 25 6.909 6.111 5.074 1.00 44.34 H new ATOM 0 HB3 GLU A 25 6.611 4.717 4.055 1.00 44.34 H new ATOM 0 HG2 GLU A 25 7.520 3.210 5.625 1.00 63.55 H new ATOM 0 HG3 GLU A 25 8.393 4.469 6.477 1.00 63.55 H new ATOM 416 N GLY A 26 8.043 5.732 1.696 1.00 60.33 N ATOM 417 CA GLY A 26 7.796 6.510 0.496 1.00 13.21 C ATOM 418 C GLY A 26 6.386 7.066 0.446 1.00 62.43 C ATOM 419 O GLY A 26 5.492 6.567 1.128 1.00 73.31 O ATOM 0 H GLY A 26 7.910 4.726 1.589 1.00 60.33 H new ATOM 0 HA2 GLY A 26 8.510 7.332 0.446 1.00 13.21 H new ATOM 0 HA3 GLY A 26 7.968 5.885 -0.380 1.00 13.21 H new ATOM 423 N GLN A 27 6.189 8.102 -0.363 1.00 33.30 N ATOM 424 CA GLN A 27 4.878 8.726 -0.497 1.00 50.41 C ATOM 425 C GLN A 27 4.093 8.103 -1.646 1.00 71.14 C ATOM 426 O GLN A 27 3.030 7.517 -1.439 1.00 31.43 O ATOM 427 CB GLN A 27 5.028 10.232 -0.724 1.00 31.34 C ATOM 428 CG GLN A 27 5.053 11.041 0.563 1.00 54.11 C ATOM 429 CD GLN A 27 5.011 12.536 0.313 1.00 20.30 C ATOM 430 OE1 GLN A 27 5.916 13.099 -0.304 1.00 11.15 O ATOM 431 NE2 GLN A 27 3.957 13.187 0.792 1.00 45.15 N ATOM 0 H GLN A 27 6.919 8.526 -0.935 1.00 33.30 H new ATOM 0 HA GLN A 27 4.327 8.558 0.428 1.00 50.41 H new ATOM 0 HB2 GLN A 27 5.948 10.418 -1.278 1.00 31.34 H new ATOM 0 HB3 GLN A 27 4.205 10.581 -1.347 1.00 31.34 H new ATOM 0 HG2 GLN A 27 4.203 10.756 1.183 1.00 54.11 H new ATOM 0 HG3 GLN A 27 5.954 10.795 1.125 1.00 54.11 H new ATOM 0 HE21 GLN A 27 3.231 12.680 1.297 1.00 45.15 H new ATOM 0 HE22 GLN A 27 3.874 14.194 0.654 1.00 45.15 H new ATOM 440 N CYS A 28 4.623 8.234 -2.857 1.00 75.35 N ATOM 441 CA CYS A 28 3.970 7.684 -4.041 1.00 24.13 C ATOM 442 C CYS A 28 4.996 7.333 -5.113 1.00 42.45 C ATOM 443 O CYS A 28 6.094 7.889 -5.141 1.00 31.13 O ATOM 444 CB CYS A 28 2.953 8.681 -4.597 1.00 72.22 C ATOM 445 SG CYS A 28 3.620 10.338 -4.879 1.00 22.55 S ATOM 0 H CYS A 28 5.502 8.716 -3.045 1.00 75.35 H new ATOM 0 HA CYS A 28 3.450 6.772 -3.749 1.00 24.13 H new ATOM 0 HB2 CYS A 28 2.559 8.295 -5.537 1.00 72.22 H new ATOM 0 HB3 CYS A 28 2.114 8.752 -3.905 1.00 72.22 H new ATOM 0 HG CYS A 28 2.685 11.108 -5.352 1.00 22.55 H new ATOM 451 N GLU A 29 4.631 6.407 -5.994 1.00 51.13 N ATOM 452 CA GLU A 29 5.521 5.981 -7.068 1.00 4.05 C ATOM 453 C GLU A 29 6.961 5.880 -6.572 1.00 20.52 C ATOM 454 O GLU A 29 7.896 6.286 -7.262 1.00 24.15 O ATOM 455 CB GLU A 29 5.443 6.957 -8.243 1.00 52.13 C ATOM 456 CG GLU A 29 5.913 8.361 -7.901 1.00 64.24 C ATOM 457 CD GLU A 29 6.239 9.183 -9.133 1.00 43.02 C ATOM 458 OE1 GLU A 29 5.394 9.239 -10.051 1.00 22.43 O ATOM 459 OE2 GLU A 29 7.340 9.771 -9.179 1.00 1.21 O ATOM 0 H GLU A 29 3.726 5.938 -5.985 1.00 51.13 H new ATOM 0 HA GLU A 29 5.199 4.995 -7.403 1.00 4.05 H new ATOM 0 HB2 GLU A 29 6.046 6.571 -9.065 1.00 52.13 H new ATOM 0 HB3 GLU A 29 4.413 7.004 -8.598 1.00 52.13 H new ATOM 0 HG2 GLU A 29 5.140 8.869 -7.324 1.00 64.24 H new ATOM 0 HG3 GLU A 29 6.796 8.300 -7.265 1.00 64.24 H new ATOM 466 N ASP A 30 7.130 5.335 -5.372 1.00 2.21 N ATOM 467 CA ASP A 30 8.455 5.179 -4.783 1.00 1.30 C ATOM 468 C ASP A 30 8.858 3.709 -4.733 1.00 31.32 C ATOM 469 O ASP A 30 8.482 2.983 -3.813 1.00 41.30 O ATOM 470 CB ASP A 30 8.485 5.777 -3.376 1.00 14.35 C ATOM 471 CG ASP A 30 9.829 5.599 -2.699 1.00 5.21 C ATOM 472 OD1 ASP A 30 10.707 6.468 -2.885 1.00 65.22 O ATOM 473 OD2 ASP A 30 10.004 4.592 -1.982 1.00 72.33 O ATOM 0 H ASP A 30 6.366 4.994 -4.788 1.00 2.21 H new ATOM 0 HA ASP A 30 9.169 5.712 -5.411 1.00 1.30 H new ATOM 0 HB2 ASP A 30 8.247 6.839 -3.431 1.00 14.35 H new ATOM 0 HB3 ASP A 30 7.711 5.308 -2.769 1.00 14.35 H new ATOM 478 N ASN A 31 9.624 3.276 -5.729 1.00 31.10 N ATOM 479 CA ASN A 31 10.076 1.891 -5.799 1.00 43.22 C ATOM 480 C ASN A 31 11.511 1.762 -5.298 1.00 24.30 C ATOM 481 O ASN A 31 12.242 0.857 -5.702 1.00 74.32 O ATOM 482 CB ASN A 31 9.977 1.373 -7.235 1.00 70.42 C ATOM 483 CG ASN A 31 8.574 1.494 -7.798 1.00 41.22 C ATOM 484 OD1 ASN A 31 7.589 1.408 -7.065 1.00 22.15 O ATOM 485 ND2 ASN A 31 8.477 1.696 -9.107 1.00 64.42 N ATOM 0 H ASN A 31 9.945 3.864 -6.498 1.00 31.10 H new ATOM 0 HA ASN A 31 9.430 1.291 -5.158 1.00 43.22 H new ATOM 0 HB2 ASN A 31 10.669 1.930 -7.868 1.00 70.42 H new ATOM 0 HB3 ASN A 31 10.288 0.329 -7.264 1.00 70.42 H new ATOM 0 HD21 ASN A 31 7.559 1.786 -9.542 1.00 64.42 H new ATOM 0 HD22 ASN A 31 9.320 1.761 -9.677 1.00 64.42 H new ATOM 492 N ARG A 32 11.908 2.672 -4.415 1.00 45.31 N ATOM 493 CA ARG A 32 13.256 2.661 -3.859 1.00 21.51 C ATOM 494 C ARG A 32 13.219 2.802 -2.340 1.00 54.31 C ATOM 495 O ARG A 32 12.225 3.256 -1.773 1.00 14.23 O ATOM 496 CB ARG A 32 14.091 3.789 -4.467 1.00 25.23 C ATOM 497 CG ARG A 32 15.559 3.434 -4.641 1.00 2.12 C ATOM 498 CD ARG A 32 15.748 2.339 -5.678 1.00 62.34 C ATOM 499 NE ARG A 32 17.044 2.434 -6.345 1.00 51.34 N ATOM 500 CZ ARG A 32 17.338 3.361 -7.250 1.00 50.24 C ATOM 501 NH1 ARG A 32 16.433 4.267 -7.594 1.00 43.42 N ATOM 502 NH2 ARG A 32 18.539 3.383 -7.813 1.00 44.12 N ATOM 0 H ARG A 32 11.315 3.427 -4.069 1.00 45.31 H new ATOM 0 HA ARG A 32 13.716 1.704 -4.106 1.00 21.51 H new ATOM 0 HB2 ARG A 32 13.673 4.057 -5.437 1.00 25.23 H new ATOM 0 HB3 ARG A 32 14.012 4.671 -3.832 1.00 25.23 H new ATOM 0 HG2 ARG A 32 16.116 4.321 -4.942 1.00 2.12 H new ATOM 0 HG3 ARG A 32 15.971 3.107 -3.686 1.00 2.12 H new ATOM 0 HD2 ARG A 32 15.659 1.365 -5.197 1.00 62.34 H new ATOM 0 HD3 ARG A 32 14.953 2.402 -6.421 1.00 62.34 H new ATOM 0 HE ARG A 32 17.762 1.752 -6.103 1.00 51.34 H new ATOM 0 HH11 ARG A 32 15.508 4.253 -7.163 1.00 43.42 H new ATOM 0 HH12 ARG A 32 16.661 4.978 -8.289 1.00 43.42 H new ATOM 0 HH21 ARG A 32 19.238 2.688 -7.551 1.00 44.12 H new ATOM 0 HH22 ARG A 32 18.764 4.095 -8.508 1.00 44.12 H new ATOM 516 N PHE A 33 14.308 2.410 -1.687 1.00 52.34 N ATOM 517 CA PHE A 33 14.399 2.492 -0.234 1.00 42.13 C ATOM 518 C PHE A 33 15.429 3.536 0.188 1.00 60.10 C ATOM 519 O PHE A 33 16.566 3.530 -0.285 1.00 74.13 O ATOM 520 CB PHE A 33 14.769 1.128 0.352 1.00 11.12 C ATOM 521 CG PHE A 33 13.683 0.100 0.209 1.00 24.11 C ATOM 522 CD1 PHE A 33 13.573 -0.653 -0.948 1.00 74.44 C ATOM 523 CD2 PHE A 33 12.773 -0.113 1.232 1.00 3.11 C ATOM 524 CE1 PHE A 33 12.575 -1.601 -1.083 1.00 40.42 C ATOM 525 CE2 PHE A 33 11.774 -1.059 1.103 1.00 1.12 C ATOM 526 CZ PHE A 33 11.674 -1.803 -0.056 1.00 40.23 C ATOM 0 H PHE A 33 15.140 2.032 -2.141 1.00 52.34 H new ATOM 0 HA PHE A 33 13.424 2.793 0.150 1.00 42.13 H new ATOM 0 HB2 PHE A 33 15.671 0.763 -0.139 1.00 11.12 H new ATOM 0 HB3 PHE A 33 15.008 1.248 1.409 1.00 11.12 H new ATOM 0 HD1 PHE A 33 14.275 -0.498 -1.754 1.00 74.44 H new ATOM 0 HD2 PHE A 33 12.845 0.467 2.140 1.00 3.11 H new ATOM 0 HE1 PHE A 33 12.500 -2.182 -1.990 1.00 40.42 H new ATOM 0 HE2 PHE A 33 11.072 -1.216 1.908 1.00 1.12 H new ATOM 0 HZ PHE A 33 10.893 -2.541 -0.159 1.00 40.23 H new ATOM 536 N PHE A 34 15.023 4.432 1.081 1.00 35.34 N ATOM 537 CA PHE A 34 15.908 5.483 1.567 1.00 3.32 C ATOM 538 C PHE A 34 16.614 5.051 2.849 1.00 63.21 C ATOM 539 O PHE A 34 16.067 4.288 3.645 1.00 21.23 O ATOM 540 CB PHE A 34 15.119 6.770 1.816 1.00 54.12 C ATOM 541 CG PHE A 34 15.966 8.010 1.783 1.00 63.55 C ATOM 542 CD1 PHE A 34 16.809 8.260 0.712 1.00 70.04 C ATOM 543 CD2 PHE A 34 15.921 8.924 2.823 1.00 71.04 C ATOM 544 CE1 PHE A 34 17.590 9.400 0.678 1.00 61.24 C ATOM 545 CE2 PHE A 34 16.699 10.066 2.794 1.00 63.41 C ATOM 546 CZ PHE A 34 17.536 10.303 1.721 1.00 51.22 C ATOM 0 H PHE A 34 14.086 4.451 1.483 1.00 35.34 H new ATOM 0 HA PHE A 34 16.662 5.669 0.802 1.00 3.32 H new ATOM 0 HB2 PHE A 34 14.334 6.856 1.065 1.00 54.12 H new ATOM 0 HB3 PHE A 34 14.626 6.702 2.786 1.00 54.12 H new ATOM 0 HD1 PHE A 34 16.856 7.556 -0.106 1.00 70.04 H new ATOM 0 HD2 PHE A 34 15.271 8.742 3.666 1.00 71.04 H new ATOM 0 HE1 PHE A 34 18.242 9.584 -0.163 1.00 61.24 H new ATOM 0 HE2 PHE A 34 16.653 10.772 3.610 1.00 63.41 H new ATOM 0 HZ PHE A 34 18.147 11.193 1.698 1.00 51.22 H new ATOM 556 N PHE A 35 17.834 5.543 3.041 1.00 55.52 N ATOM 557 CA PHE A 35 18.616 5.207 4.224 1.00 3.54 C ATOM 558 C PHE A 35 19.567 6.344 4.589 1.00 52.25 C ATOM 559 O PHE A 35 20.451 6.701 3.810 1.00 4.54 O ATOM 560 CB PHE A 35 19.409 3.920 3.989 1.00 42.21 C ATOM 561 CG PHE A 35 18.589 2.673 4.153 1.00 23.43 C ATOM 562 CD1 PHE A 35 18.110 2.302 5.399 1.00 30.14 C ATOM 563 CD2 PHE A 35 18.297 1.871 3.062 1.00 63.33 C ATOM 564 CE1 PHE A 35 17.356 1.154 5.553 1.00 30.14 C ATOM 565 CE2 PHE A 35 17.543 0.722 3.210 1.00 64.35 C ATOM 566 CZ PHE A 35 17.071 0.364 4.457 1.00 63.50 C ATOM 0 H PHE A 35 18.302 6.176 2.392 1.00 55.52 H new ATOM 0 HA PHE A 35 17.925 5.054 5.053 1.00 3.54 H new ATOM 0 HB2 PHE A 35 19.829 3.940 2.983 1.00 42.21 H new ATOM 0 HB3 PHE A 35 20.248 3.888 4.684 1.00 42.21 H new ATOM 0 HD1 PHE A 35 18.328 2.917 6.260 1.00 30.14 H new ATOM 0 HD2 PHE A 35 18.663 2.147 2.084 1.00 63.33 H new ATOM 0 HE1 PHE A 35 16.990 0.875 6.530 1.00 30.14 H new ATOM 0 HE2 PHE A 35 17.323 0.105 2.351 1.00 64.35 H new ATOM 0 HZ PHE A 35 16.480 -0.532 4.575 1.00 63.50 H new ATOM 576 N ASP A 36 19.377 6.909 5.776 1.00 31.50 N ATOM 577 CA ASP A 36 20.217 8.005 6.245 1.00 72.41 C ATOM 578 C ASP A 36 21.170 7.530 7.337 1.00 64.22 C ATOM 579 O ASP A 36 20.744 7.181 8.438 1.00 21.52 O ATOM 580 CB ASP A 36 19.351 9.151 6.770 1.00 74.40 C ATOM 581 CG ASP A 36 18.206 8.662 7.635 1.00 33.52 C ATOM 582 OD1 ASP A 36 17.244 8.091 7.080 1.00 75.33 O ATOM 583 OD2 ASP A 36 18.272 8.849 8.868 1.00 63.31 O ATOM 0 H ASP A 36 18.648 6.626 6.431 1.00 31.50 H new ATOM 0 HA ASP A 36 20.808 8.363 5.402 1.00 72.41 H new ATOM 0 HB2 ASP A 36 19.972 9.836 7.347 1.00 74.40 H new ATOM 0 HB3 ASP A 36 18.951 9.716 5.928 1.00 74.40 H new ATOM 588 N CYS A 37 22.461 7.519 7.024 1.00 63.43 N ATOM 589 CA CYS A 37 23.476 7.085 7.978 1.00 73.43 C ATOM 590 C CYS A 37 24.269 8.275 8.507 1.00 61.11 C ATOM 591 O CYS A 37 25.301 8.646 7.946 1.00 61.30 O ATOM 592 CB CYS A 37 24.421 6.076 7.325 1.00 64.44 C ATOM 593 SG CYS A 37 24.023 4.349 7.685 1.00 14.43 S ATOM 0 H CYS A 37 22.830 7.806 6.117 1.00 63.43 H new ATOM 0 HA CYS A 37 22.970 6.607 8.817 1.00 73.43 H new ATOM 0 HB2 CYS A 37 24.403 6.224 6.245 1.00 64.44 H new ATOM 0 HB3 CYS A 37 25.439 6.280 7.658 1.00 64.44 H new ATOM 0 HG CYS A 37 24.548 3.584 6.775 1.00 14.43 H new ATOM 599 N LEU A 38 23.780 8.871 9.589 1.00 41.14 N ATOM 600 CA LEU A 38 24.443 10.022 10.193 1.00 35.45 C ATOM 601 C LEU A 38 25.686 9.591 10.964 1.00 24.31 C ATOM 602 O LEU A 38 25.616 9.285 12.154 1.00 5.31 O ATOM 603 CB LEU A 38 23.479 10.757 11.127 1.00 24.22 C ATOM 604 CG LEU A 38 22.336 11.515 10.451 1.00 64.31 C ATOM 605 CD1 LEU A 38 21.251 10.551 9.999 1.00 74.24 C ATOM 606 CD2 LEU A 38 21.762 12.564 11.392 1.00 44.24 C ATOM 0 H LEU A 38 22.928 8.577 10.066 1.00 41.14 H new ATOM 0 HA LEU A 38 24.750 10.696 9.393 1.00 35.45 H new ATOM 0 HB2 LEU A 38 23.049 10.031 11.817 1.00 24.22 H new ATOM 0 HB3 LEU A 38 24.053 11.464 11.726 1.00 24.22 H new ATOM 0 HG LEU A 38 22.732 12.023 9.571 1.00 64.31 H new ATOM 0 HD11 LEU A 38 20.446 11.108 9.520 1.00 74.24 H new ATOM 0 HD12 LEU A 38 21.671 9.838 9.290 1.00 74.24 H new ATOM 0 HD13 LEU A 38 20.858 10.015 10.863 1.00 74.24 H new ATOM 0 HD21 LEU A 38 20.950 13.094 10.894 1.00 44.24 H new ATOM 0 HD22 LEU A 38 21.382 12.078 12.290 1.00 44.24 H new ATOM 0 HD23 LEU A 38 22.543 13.273 11.666 1.00 44.24 H new ATOM 618 N ALA A 39 26.824 9.571 10.278 1.00 61.25 N ATOM 619 CA ALA A 39 28.084 9.182 10.898 1.00 22.24 C ATOM 620 C ALA A 39 28.680 10.334 11.701 1.00 74.05 C ATOM 621 O ALA A 39 28.983 10.188 12.885 1.00 74.12 O ATOM 622 CB ALA A 39 29.070 8.708 9.840 1.00 13.14 C ATOM 0 H ALA A 39 26.899 9.820 9.292 1.00 61.25 H new ATOM 0 HA ALA A 39 27.883 8.360 11.585 1.00 22.24 H new ATOM 0 HB1 ALA A 39 30.007 8.421 10.318 1.00 13.14 H new ATOM 0 HB2 ALA A 39 28.653 7.850 9.313 1.00 13.14 H new ATOM 0 HB3 ALA A 39 29.257 9.514 9.130 1.00 13.14 H new ATOM 628 N VAL A 40 28.846 11.480 11.048 1.00 74.03 N ATOM 629 CA VAL A 40 29.405 12.658 11.701 1.00 73.35 C ATOM 630 C VAL A 40 28.962 13.937 10.999 1.00 64.11 C ATOM 631 O VAL A 40 28.911 13.997 9.770 1.00 73.22 O ATOM 632 CB VAL A 40 30.944 12.606 11.729 1.00 52.45 C ATOM 633 CG1 VAL A 40 31.429 11.746 12.885 1.00 34.22 C ATOM 634 CG2 VAL A 40 31.483 12.087 10.404 1.00 3.23 C ATOM 0 H VAL A 40 28.601 11.618 10.067 1.00 74.03 H new ATOM 0 HA VAL A 40 29.031 12.661 12.725 1.00 73.35 H new ATOM 0 HB VAL A 40 31.322 13.618 11.878 1.00 52.45 H new ATOM 0 HG11 VAL A 40 32.519 11.721 12.888 1.00 34.22 H new ATOM 0 HG12 VAL A 40 31.073 12.166 13.826 1.00 34.22 H new ATOM 0 HG13 VAL A 40 31.044 10.733 12.771 1.00 34.22 H new ATOM 0 HG21 VAL A 40 32.572 12.057 10.441 1.00 3.23 H new ATOM 0 HG22 VAL A 40 31.098 11.084 10.223 1.00 3.23 H new ATOM 0 HG23 VAL A 40 31.166 12.749 9.598 1.00 3.23 H new ATOM 644 N CYS A 41 28.645 14.958 11.787 1.00 31.22 N ATOM 645 CA CYS A 41 28.206 16.237 11.242 1.00 43.53 C ATOM 646 C CYS A 41 29.348 16.937 10.512 1.00 40.25 C ATOM 647 O CYS A 41 30.443 17.092 11.053 1.00 70.43 O ATOM 648 CB CYS A 41 27.673 17.136 12.359 1.00 73.44 C ATOM 649 SG CYS A 41 28.857 17.441 13.690 1.00 65.11 S ATOM 0 H CYS A 41 28.684 14.925 12.806 1.00 31.22 H new ATOM 0 HA CYS A 41 27.405 16.044 10.528 1.00 43.53 H new ATOM 0 HB2 CYS A 41 27.372 18.091 11.929 1.00 73.44 H new ATOM 0 HB3 CYS A 41 26.777 16.680 12.781 1.00 73.44 H new ATOM 0 HG CYS A 41 30.065 17.413 13.211 1.00 65.11 H new ATOM 655 N VAL A 42 29.085 17.358 9.278 1.00 23.41 N ATOM 656 CA VAL A 42 30.091 18.040 8.473 1.00 53.42 C ATOM 657 C VAL A 42 30.484 19.373 9.099 1.00 1.52 C ATOM 658 O VAL A 42 31.636 19.796 9.011 1.00 0.15 O ATOM 659 CB VAL A 42 29.587 18.289 7.038 1.00 22.54 C ATOM 660 CG1 VAL A 42 28.276 19.059 7.058 1.00 1.34 C ATOM 661 CG2 VAL A 42 30.638 19.029 6.226 1.00 44.41 C ATOM 0 H VAL A 42 28.184 17.238 8.815 1.00 23.41 H new ATOM 0 HA VAL A 42 30.963 17.387 8.436 1.00 53.42 H new ATOM 0 HB VAL A 42 29.406 17.325 6.563 1.00 22.54 H new ATOM 0 HG11 VAL A 42 27.936 19.225 6.036 1.00 1.34 H new ATOM 0 HG12 VAL A 42 27.525 18.485 7.601 1.00 1.34 H new ATOM 0 HG13 VAL A 42 28.426 20.019 7.551 1.00 1.34 H new ATOM 0 HG21 VAL A 42 30.266 19.197 5.215 1.00 44.41 H new ATOM 0 HG22 VAL A 42 30.853 19.988 6.697 1.00 44.41 H new ATOM 0 HG23 VAL A 42 31.550 18.434 6.183 1.00 44.41 H new ATOM 671 N ASN A 43 29.518 20.031 9.732 1.00 3.44 N ATOM 672 CA ASN A 43 29.764 21.318 10.374 1.00 34.34 C ATOM 673 C ASN A 43 28.517 21.808 11.105 1.00 60.41 C ATOM 674 O ASN A 43 27.392 21.555 10.674 1.00 71.41 O ATOM 675 CB ASN A 43 30.201 22.354 9.337 1.00 73.11 C ATOM 676 CG ASN A 43 31.114 23.412 9.926 1.00 54.13 C ATOM 677 OD1 ASN A 43 31.313 23.470 11.139 1.00 3.12 O ATOM 678 ND2 ASN A 43 31.673 24.256 9.066 1.00 33.30 N ATOM 0 H ASN A 43 28.558 19.695 9.814 1.00 3.44 H new ATOM 0 HA ASN A 43 30.563 21.185 11.103 1.00 34.34 H new ATOM 0 HB2 ASN A 43 30.714 21.850 8.518 1.00 73.11 H new ATOM 0 HB3 ASN A 43 29.319 22.834 8.913 1.00 73.11 H new ATOM 0 HD21 ASN A 43 32.296 24.990 9.403 1.00 33.30 H new ATOM 0 HD22 ASN A 43 31.479 24.170 8.068 1.00 33.30 H new ATOM 685 N VAL A 44 28.725 22.511 12.213 1.00 4.14 N ATOM 686 CA VAL A 44 27.619 23.038 13.003 1.00 3.45 C ATOM 687 C VAL A 44 27.754 24.544 13.202 1.00 42.04 C ATOM 688 O VAL A 44 27.228 25.105 14.163 1.00 73.11 O ATOM 689 CB VAL A 44 27.538 22.356 14.382 1.00 63.43 C ATOM 690 CG1 VAL A 44 27.320 20.859 14.224 1.00 22.51 C ATOM 691 CG2 VAL A 44 28.796 22.637 15.190 1.00 12.31 C ATOM 0 H VAL A 44 29.650 22.729 12.584 1.00 4.14 H new ATOM 0 HA VAL A 44 26.705 22.827 12.447 1.00 3.45 H new ATOM 0 HB VAL A 44 26.687 22.769 14.923 1.00 63.43 H new ATOM 0 HG11 VAL A 44 27.265 20.393 15.208 1.00 22.51 H new ATOM 0 HG12 VAL A 44 26.389 20.682 13.686 1.00 22.51 H new ATOM 0 HG13 VAL A 44 28.150 20.428 13.664 1.00 22.51 H new ATOM 0 HG21 VAL A 44 28.722 22.148 16.161 1.00 12.31 H new ATOM 0 HG22 VAL A 44 29.665 22.253 14.656 1.00 12.31 H new ATOM 0 HG23 VAL A 44 28.904 23.712 15.333 1.00 12.31 H new ATOM 701 N LYS A 45 28.463 25.195 12.285 1.00 21.52 N ATOM 702 CA LYS A 45 28.667 26.637 12.356 1.00 30.54 C ATOM 703 C LYS A 45 27.351 27.382 12.160 1.00 10.44 C ATOM 704 O LYS A 45 26.915 28.155 13.014 1.00 52.44 O ATOM 705 CB LYS A 45 29.680 27.082 11.300 1.00 63.14 C ATOM 706 CG LYS A 45 31.031 27.467 11.877 1.00 44.23 C ATOM 707 CD LYS A 45 31.816 28.349 10.919 1.00 33.24 C ATOM 708 CE LYS A 45 31.750 29.812 11.329 1.00 52.35 C ATOM 709 NZ LYS A 45 30.666 30.540 10.612 1.00 11.23 N ATOM 0 H LYS A 45 28.906 24.746 11.483 1.00 21.52 H new ATOM 0 HA LYS A 45 29.056 26.876 13.346 1.00 30.54 H new ATOM 0 HB2 LYS A 45 29.819 26.276 10.579 1.00 63.14 H new ATOM 0 HB3 LYS A 45 29.272 27.932 10.753 1.00 63.14 H new ATOM 0 HG2 LYS A 45 30.888 27.992 12.822 1.00 44.23 H new ATOM 0 HG3 LYS A 45 31.604 26.566 12.096 1.00 44.23 H new ATOM 0 HD2 LYS A 45 32.856 28.024 10.892 1.00 33.24 H new ATOM 0 HD3 LYS A 45 31.420 28.234 9.910 1.00 33.24 H new ATOM 0 HE2 LYS A 45 31.584 29.881 12.404 1.00 52.35 H new ATOM 0 HE3 LYS A 45 32.707 30.291 11.123 1.00 52.35 H new ATOM 0 HZ1 LYS A 45 30.653 31.534 10.919 1.00 11.23 H new ATOM 0 HZ2 LYS A 45 30.837 30.496 9.587 1.00 11.23 H new ATOM 0 HZ3 LYS A 45 29.749 30.099 10.829 1.00 11.23 H new ATOM 723 N PRO A 46 26.701 27.146 11.011 1.00 43.10 N ATOM 724 CA PRO A 46 25.425 27.785 10.678 1.00 74.45 C ATOM 725 C PRO A 46 24.278 27.276 11.544 1.00 30.52 C ATOM 726 O PRO A 46 24.466 26.398 12.386 1.00 21.20 O ATOM 727 CB PRO A 46 25.204 27.393 9.214 1.00 14.03 C ATOM 728 CG PRO A 46 25.969 26.126 9.042 1.00 55.34 C ATOM 729 CD PRO A 46 27.163 26.237 9.949 1.00 73.34 C ATOM 0 HA PRO A 46 25.452 28.862 10.847 1.00 74.45 H new ATOM 0 HB2 PRO A 46 24.145 27.249 8.998 1.00 14.03 H new ATOM 0 HB3 PRO A 46 25.564 28.168 8.538 1.00 14.03 H new ATOM 0 HG2 PRO A 46 25.358 25.262 9.305 1.00 55.34 H new ATOM 0 HG3 PRO A 46 26.278 25.994 8.005 1.00 55.34 H new ATOM 0 HD2 PRO A 46 27.455 25.266 10.350 1.00 73.34 H new ATOM 0 HD3 PRO A 46 28.030 26.639 9.425 1.00 73.34 H new ATOM 737 N ALA A 47 23.090 27.832 11.332 1.00 32.11 N ATOM 738 CA ALA A 47 21.912 27.432 12.093 1.00 43.05 C ATOM 739 C ALA A 47 21.632 25.942 11.928 1.00 44.12 C ATOM 740 O ALA A 47 22.089 25.301 10.981 1.00 51.11 O ATOM 741 CB ALA A 47 20.703 28.249 11.662 1.00 63.04 C ATOM 0 H ALA A 47 22.917 28.561 10.640 1.00 32.11 H new ATOM 0 HA ALA A 47 22.109 27.623 13.148 1.00 43.05 H new ATOM 0 HB1 ALA A 47 19.831 27.940 12.238 1.00 63.04 H new ATOM 0 HB2 ALA A 47 20.898 29.307 11.838 1.00 63.04 H new ATOM 0 HB3 ALA A 47 20.513 28.086 10.601 1.00 63.04 H new ATOM 747 N PRO A 48 20.865 25.376 12.871 1.00 73.44 N ATOM 748 CA PRO A 48 20.507 23.954 12.851 1.00 1.15 C ATOM 749 C PRO A 48 19.541 23.615 11.722 1.00 72.42 C ATOM 750 O PRO A 48 19.491 22.477 11.257 1.00 65.52 O ATOM 751 CB PRO A 48 19.837 23.739 14.211 1.00 63.41 C ATOM 752 CG PRO A 48 19.315 25.080 14.593 1.00 52.42 C ATOM 753 CD PRO A 48 20.286 26.079 14.028 1.00 43.45 C ATOM 0 HA PRO A 48 21.375 23.317 12.682 1.00 1.15 H new ATOM 0 HB2 PRO A 48 19.033 23.006 14.145 1.00 63.41 H new ATOM 0 HB3 PRO A 48 20.548 23.367 14.948 1.00 63.41 H new ATOM 0 HG2 PRO A 48 18.314 25.238 14.191 1.00 52.42 H new ATOM 0 HG3 PRO A 48 19.242 25.176 15.676 1.00 52.42 H new ATOM 0 HD2 PRO A 48 19.786 27.000 13.729 1.00 43.45 H new ATOM 0 HD3 PRO A 48 21.050 26.352 14.756 1.00 43.45 H new ATOM 761 N GLU A 49 18.775 24.610 11.285 1.00 32.42 N ATOM 762 CA GLU A 49 17.810 24.414 10.210 1.00 53.43 C ATOM 763 C GLU A 49 18.514 24.044 8.907 1.00 12.44 C ATOM 764 O GLU A 49 17.904 23.484 7.996 1.00 45.21 O ATOM 765 CB GLU A 49 16.974 25.680 10.008 1.00 11.25 C ATOM 766 CG GLU A 49 17.807 26.939 9.838 1.00 43.20 C ATOM 767 CD GLU A 49 17.118 27.984 8.982 1.00 72.32 C ATOM 768 OE1 GLU A 49 15.901 27.842 8.739 1.00 32.14 O ATOM 769 OE2 GLU A 49 17.794 28.942 8.554 1.00 4.13 O ATOM 0 H GLU A 49 18.804 25.559 11.659 1.00 32.42 H new ATOM 0 HA GLU A 49 17.151 23.593 10.493 1.00 53.43 H new ATOM 0 HB2 GLU A 49 16.342 25.551 9.129 1.00 11.25 H new ATOM 0 HB3 GLU A 49 16.310 25.807 10.863 1.00 11.25 H new ATOM 0 HG2 GLU A 49 18.022 27.363 10.819 1.00 43.20 H new ATOM 0 HG3 GLU A 49 18.764 26.678 9.386 1.00 43.20 H new ATOM 776 N LYS A 50 19.801 24.362 8.827 1.00 44.21 N ATOM 777 CA LYS A 50 20.591 24.064 7.638 1.00 71.30 C ATOM 778 C LYS A 50 21.733 23.108 7.969 1.00 52.12 C ATOM 779 O LYS A 50 22.687 22.978 7.202 1.00 23.33 O ATOM 780 CB LYS A 50 21.150 25.354 7.035 1.00 42.22 C ATOM 781 CG LYS A 50 21.750 26.296 8.064 1.00 2.40 C ATOM 782 CD LYS A 50 22.135 27.629 7.443 1.00 74.10 C ATOM 783 CE LYS A 50 20.914 28.379 6.932 1.00 33.42 C ATOM 784 NZ LYS A 50 21.090 29.854 7.027 1.00 55.44 N ATOM 0 H LYS A 50 20.320 24.827 9.572 1.00 44.21 H new ATOM 0 HA LYS A 50 19.938 23.583 6.910 1.00 71.30 H new ATOM 0 HB2 LYS A 50 21.913 25.100 6.299 1.00 42.22 H new ATOM 0 HB3 LYS A 50 20.352 25.872 6.502 1.00 42.22 H new ATOM 0 HG2 LYS A 50 21.033 26.462 8.868 1.00 2.40 H new ATOM 0 HG3 LYS A 50 22.630 25.834 8.512 1.00 2.40 H new ATOM 0 HD2 LYS A 50 22.655 28.239 8.181 1.00 74.10 H new ATOM 0 HD3 LYS A 50 22.831 27.461 6.621 1.00 74.10 H new ATOM 0 HE2 LYS A 50 20.725 28.102 5.895 1.00 33.42 H new ATOM 0 HE3 LYS A 50 20.037 28.080 7.507 1.00 33.42 H new ATOM 0 HZ1 LYS A 50 20.237 30.329 6.669 1.00 55.44 H new ATOM 0 HZ2 LYS A 50 21.245 30.122 8.020 1.00 55.44 H new ATOM 0 HZ3 LYS A 50 21.911 30.143 6.458 1.00 55.44 H new ATOM 798 N ARG A 51 21.627 22.441 9.114 1.00 44.24 N ATOM 799 CA ARG A 51 22.651 21.497 9.545 1.00 44.31 C ATOM 800 C ARG A 51 22.658 20.258 8.654 1.00 4.24 C ATOM 801 O ARG A 51 21.609 19.800 8.204 1.00 13.25 O ATOM 802 CB ARG A 51 22.419 21.091 11.001 1.00 22.53 C ATOM 803 CG ARG A 51 21.239 20.151 11.191 1.00 45.14 C ATOM 804 CD ARG A 51 20.779 20.120 12.639 1.00 11.15 C ATOM 805 NE ARG A 51 19.823 19.044 12.887 1.00 23.12 N ATOM 806 CZ ARG A 51 18.576 19.049 12.431 1.00 51.15 C ATOM 807 NH1 ARG A 51 18.136 20.069 11.706 1.00 31.40 N ATOM 808 NH2 ARG A 51 17.766 18.033 12.698 1.00 31.30 N ATOM 0 H ARG A 51 20.843 22.537 9.759 1.00 44.24 H new ATOM 0 HA ARG A 51 23.621 21.988 9.462 1.00 44.31 H new ATOM 0 HB2 ARG A 51 23.320 20.611 11.384 1.00 22.53 H new ATOM 0 HB3 ARG A 51 22.258 21.988 11.598 1.00 22.53 H new ATOM 0 HG2 ARG A 51 20.414 20.467 10.553 1.00 45.14 H new ATOM 0 HG3 ARG A 51 21.519 19.146 10.875 1.00 45.14 H new ATOM 0 HD2 ARG A 51 21.643 19.994 13.291 1.00 11.15 H new ATOM 0 HD3 ARG A 51 20.323 21.076 12.895 1.00 11.15 H new ATOM 0 HE ARG A 51 20.130 18.245 13.441 1.00 23.12 H new ATOM 0 HH11 ARG A 51 18.756 20.852 11.498 1.00 31.40 H new ATOM 0 HH12 ARG A 51 17.178 20.071 11.357 1.00 31.40 H new ATOM 0 HH21 ARG A 51 18.101 17.246 13.254 1.00 31.30 H new ATOM 0 HH22 ARG A 51 16.808 18.038 12.347 1.00 31.30 H new ATOM 822 N GLU A 52 23.849 19.722 8.405 1.00 71.13 N ATOM 823 CA GLU A 52 23.992 18.537 7.567 1.00 54.01 C ATOM 824 C GLU A 52 24.766 17.444 8.298 1.00 74.21 C ATOM 825 O GLU A 52 25.382 17.691 9.334 1.00 1.35 O ATOM 826 CB GLU A 52 24.702 18.892 6.259 1.00 12.40 C ATOM 827 CG GLU A 52 24.142 20.131 5.580 1.00 63.04 C ATOM 828 CD GLU A 52 24.346 20.114 4.077 1.00 15.30 C ATOM 829 OE1 GLU A 52 23.907 19.140 3.430 1.00 14.05 O ATOM 830 OE2 GLU A 52 24.943 21.074 3.548 1.00 42.41 O ATOM 0 H GLU A 52 24.727 20.089 8.771 1.00 71.13 H new ATOM 0 HA GLU A 52 22.994 18.162 7.340 1.00 54.01 H new ATOM 0 HB2 GLU A 52 25.762 19.046 6.461 1.00 12.40 H new ATOM 0 HB3 GLU A 52 24.628 18.047 5.574 1.00 12.40 H new ATOM 0 HG2 GLU A 52 23.077 20.210 5.798 1.00 63.04 H new ATOM 0 HG3 GLU A 52 24.620 21.017 5.998 1.00 63.04 H new ATOM 837 N PHE A 53 24.728 16.233 7.750 1.00 1.55 N ATOM 838 CA PHE A 53 25.424 15.101 8.350 1.00 1.14 C ATOM 839 C PHE A 53 26.072 14.230 7.278 1.00 53.44 C ATOM 840 O PHE A 53 25.597 14.169 6.143 1.00 30.35 O ATOM 841 CB PHE A 53 24.454 14.263 9.186 1.00 51.50 C ATOM 842 CG PHE A 53 23.622 15.078 10.134 1.00 13.43 C ATOM 843 CD1 PHE A 53 24.173 15.587 11.299 1.00 3.12 C ATOM 844 CD2 PHE A 53 22.288 15.336 9.861 1.00 42.22 C ATOM 845 CE1 PHE A 53 23.409 16.337 12.174 1.00 65.52 C ATOM 846 CE2 PHE A 53 21.519 16.085 10.732 1.00 44.45 C ATOM 847 CZ PHE A 53 22.081 16.587 11.889 1.00 3.11 C ATOM 0 H PHE A 53 24.223 16.011 6.892 1.00 1.55 H new ATOM 0 HA PHE A 53 26.208 15.492 8.999 1.00 1.14 H new ATOM 0 HB2 PHE A 53 23.793 13.712 8.517 1.00 51.50 H new ATOM 0 HB3 PHE A 53 25.020 13.525 9.754 1.00 51.50 H new ATOM 0 HD1 PHE A 53 25.211 15.396 11.526 1.00 3.12 H new ATOM 0 HD2 PHE A 53 21.844 14.947 8.957 1.00 42.22 H new ATOM 0 HE1 PHE A 53 23.850 16.727 13.079 1.00 65.52 H new ATOM 0 HE2 PHE A 53 20.480 16.277 10.508 1.00 44.45 H new ATOM 0 HZ PHE A 53 21.483 17.174 12.570 1.00 3.11 H new ATOM 857 N TRP A 54 27.158 13.560 7.645 1.00 51.43 N ATOM 858 CA TRP A 54 27.872 12.693 6.714 1.00 12.40 C ATOM 859 C TRP A 54 27.188 11.336 6.601 1.00 34.51 C ATOM 860 O TRP A 54 26.423 10.940 7.480 1.00 10.21 O ATOM 861 CB TRP A 54 29.322 12.512 7.164 1.00 21.34 C ATOM 862 CG TRP A 54 30.184 13.707 6.889 1.00 32.31 C ATOM 863 CD1 TRP A 54 30.980 14.366 7.782 1.00 52.35 C ATOM 864 CD2 TRP A 54 30.334 14.385 5.637 1.00 31.31 C ATOM 865 NE1 TRP A 54 31.616 15.414 7.160 1.00 73.44 N ATOM 866 CE2 TRP A 54 31.237 15.446 5.844 1.00 61.14 C ATOM 867 CE3 TRP A 54 29.795 14.198 4.361 1.00 22.33 C ATOM 868 CZ2 TRP A 54 31.610 16.315 4.822 1.00 62.11 C ATOM 869 CZ3 TRP A 54 30.166 15.061 3.348 1.00 3.34 C ATOM 870 CH2 TRP A 54 31.067 16.109 3.583 1.00 62.52 C ATOM 0 H TRP A 54 27.564 13.600 8.580 1.00 51.43 H new ATOM 0 HA TRP A 54 27.861 13.167 5.733 1.00 12.40 H new ATOM 0 HB2 TRP A 54 29.339 12.299 8.233 1.00 21.34 H new ATOM 0 HB3 TRP A 54 29.746 11.644 6.659 1.00 21.34 H new ATOM 0 HD1 TRP A 54 31.093 14.103 8.823 1.00 52.35 H new ATOM 0 HE1 TRP A 54 32.265 16.063 7.606 1.00 73.44 H new ATOM 0 HE3 TRP A 54 29.101 13.393 4.170 1.00 22.33 H new ATOM 0 HZ2 TRP A 54 32.304 17.123 5.001 1.00 62.11 H new ATOM 0 HZ3 TRP A 54 29.755 14.926 2.358 1.00 3.34 H new ATOM 0 HH2 TRP A 54 31.338 16.767 2.770 1.00 62.52 H new ATOM 881 N GLY A 55 27.468 10.625 5.513 1.00 70.31 N ATOM 882 CA GLY A 55 26.871 9.318 5.306 1.00 51.30 C ATOM 883 C GLY A 55 26.870 8.906 3.847 1.00 33.24 C ATOM 884 O GLY A 55 27.243 9.689 2.974 1.00 71.21 O ATOM 0 H GLY A 55 28.098 10.931 4.771 1.00 70.31 H new ATOM 0 HA2 GLY A 55 27.416 8.576 5.890 1.00 51.30 H new ATOM 0 HA3 GLY A 55 25.847 9.327 5.679 1.00 51.30 H new ATOM 888 N TRP A 56 26.451 7.674 3.583 1.00 31.54 N ATOM 889 CA TRP A 56 26.405 7.158 2.220 1.00 73.12 C ATOM 890 C TRP A 56 24.979 6.787 1.826 1.00 22.11 C ATOM 891 O TRP A 56 24.173 6.399 2.672 1.00 63.11 O ATOM 892 CB TRP A 56 27.319 5.939 2.082 1.00 14.22 C ATOM 893 CG TRP A 56 27.353 5.081 3.311 1.00 42.05 C ATOM 894 CD1 TRP A 56 28.340 5.040 4.254 1.00 14.01 C ATOM 895 CD2 TRP A 56 26.358 4.139 3.726 1.00 1.43 C ATOM 896 NE1 TRP A 56 28.018 4.129 5.231 1.00 13.45 N ATOM 897 CE2 TRP A 56 26.807 3.564 4.931 1.00 14.14 C ATOM 898 CE3 TRP A 56 25.131 3.728 3.199 1.00 21.43 C ATOM 899 CZ2 TRP A 56 26.071 2.599 5.614 1.00 10.34 C ATOM 900 CZ3 TRP A 56 24.402 2.770 3.878 1.00 24.32 C ATOM 901 CH2 TRP A 56 24.873 2.215 5.075 1.00 23.35 C ATOM 0 H TRP A 56 26.138 7.014 4.295 1.00 31.54 H new ATOM 0 HA TRP A 56 26.755 7.943 1.549 1.00 73.12 H new ATOM 0 HB2 TRP A 56 26.985 5.337 1.236 1.00 14.22 H new ATOM 0 HB3 TRP A 56 28.330 6.276 1.854 1.00 14.22 H new ATOM 0 HD1 TRP A 56 29.241 5.636 4.235 1.00 14.01 H new ATOM 0 HE1 TRP A 56 28.588 3.909 6.047 1.00 13.45 H new ATOM 0 HE3 TRP A 56 24.759 4.151 2.278 1.00 21.43 H new ATOM 0 HZ2 TRP A 56 26.433 2.169 6.536 1.00 10.34 H new ATOM 0 HZ3 TRP A 56 23.453 2.444 3.479 1.00 24.32 H new ATOM 0 HH2 TRP A 56 24.279 1.469 5.583 1.00 23.35 H new ATOM 912 N TRP A 57 24.675 6.908 0.539 1.00 2.21 N ATOM 913 CA TRP A 57 23.345 6.585 0.034 1.00 25.33 C ATOM 914 C TRP A 57 23.257 5.116 -0.365 1.00 22.11 C ATOM 915 O TRP A 57 24.140 4.595 -1.046 1.00 34.40 O ATOM 916 CB TRP A 57 23.002 7.473 -1.163 1.00 30.14 C ATOM 917 CG TRP A 57 23.277 8.926 -0.922 1.00 13.51 C ATOM 918 CD1 TRP A 57 23.138 9.603 0.256 1.00 33.34 C ATOM 919 CD2 TRP A 57 23.736 9.883 -1.884 1.00 34.42 C ATOM 920 NE1 TRP A 57 23.482 10.922 0.085 1.00 25.30 N ATOM 921 CE2 TRP A 57 23.854 11.119 -1.219 1.00 32.33 C ATOM 922 CE3 TRP A 57 24.060 9.815 -3.241 1.00 62.42 C ATOM 923 CZ2 TRP A 57 24.281 12.274 -1.867 1.00 2.52 C ATOM 924 CZ3 TRP A 57 24.484 10.963 -3.883 1.00 71.41 C ATOM 925 CH2 TRP A 57 24.592 12.179 -3.196 1.00 62.00 C ATOM 0 H TRP A 57 25.331 7.227 -0.174 1.00 2.21 H new ATOM 0 HA TRP A 57 22.626 6.769 0.832 1.00 25.33 H new ATOM 0 HB2 TRP A 57 23.575 7.141 -2.029 1.00 30.14 H new ATOM 0 HB3 TRP A 57 21.948 7.346 -1.410 1.00 30.14 H new ATOM 0 HD1 TRP A 57 22.806 9.165 1.186 1.00 33.34 H new ATOM 0 HE1 TRP A 57 23.463 11.638 0.811 1.00 25.30 H new ATOM 0 HE3 TRP A 57 23.981 8.882 -3.779 1.00 62.42 H new ATOM 0 HZ2 TRP A 57 24.364 13.213 -1.339 1.00 2.52 H new ATOM 0 HZ3 TRP A 57 24.736 10.922 -4.932 1.00 71.41 H new ATOM 0 HH2 TRP A 57 24.927 13.059 -3.726 1.00 62.00 H new ATOM 936 N MET A 58 22.187 4.454 0.063 1.00 2.11 N ATOM 937 CA MET A 58 21.984 3.045 -0.252 1.00 22.30 C ATOM 938 C MET A 58 20.751 2.856 -1.130 1.00 10.03 C ATOM 939 O MET A 58 19.624 3.076 -0.687 1.00 22.31 O ATOM 940 CB MET A 58 21.839 2.228 1.034 1.00 42.42 C ATOM 941 CG MET A 58 21.628 0.743 0.790 1.00 64.11 C ATOM 942 SD MET A 58 20.930 -0.104 2.221 1.00 44.42 S ATOM 943 CE MET A 58 20.608 -1.725 1.531 1.00 25.01 C ATOM 0 H MET A 58 21.448 4.871 0.629 1.00 2.11 H new ATOM 0 HA MET A 58 22.857 2.692 -0.801 1.00 22.30 H new ATOM 0 HB2 MET A 58 22.732 2.364 1.644 1.00 42.42 H new ATOM 0 HB3 MET A 58 20.998 2.616 1.609 1.00 42.42 H new ATOM 0 HG2 MET A 58 20.965 0.610 -0.065 1.00 64.11 H new ATOM 0 HG3 MET A 58 22.581 0.283 0.529 1.00 64.11 H new ATOM 0 HE1 MET A 58 19.579 -2.014 1.745 1.00 25.01 H new ATOM 0 HE2 MET A 58 20.760 -1.698 0.452 1.00 25.01 H new ATOM 0 HE3 MET A 58 21.288 -2.451 1.975 1.00 25.01 H new ATOM 953 N GLU A 59 20.973 2.448 -2.375 1.00 43.23 N ATOM 954 CA GLU A 59 19.879 2.232 -3.314 1.00 72.42 C ATOM 955 C GLU A 59 19.761 0.755 -3.681 1.00 12.00 C ATOM 956 O GLU A 59 20.647 0.190 -4.323 1.00 42.33 O ATOM 957 CB GLU A 59 20.089 3.067 -4.579 1.00 2.24 C ATOM 958 CG GLU A 59 21.508 3.008 -5.118 1.00 44.11 C ATOM 959 CD GLU A 59 22.438 3.984 -4.423 1.00 71.01 C ATOM 960 OE1 GLU A 59 22.051 5.161 -4.266 1.00 43.22 O ATOM 961 OE2 GLU A 59 23.551 3.571 -4.037 1.00 1.34 O ATOM 0 H GLU A 59 21.900 2.260 -2.757 1.00 43.23 H new ATOM 0 HA GLU A 59 18.953 2.545 -2.831 1.00 72.42 H new ATOM 0 HB2 GLU A 59 19.401 2.721 -5.351 1.00 2.24 H new ATOM 0 HB3 GLU A 59 19.833 4.105 -4.366 1.00 2.24 H new ATOM 0 HG2 GLU A 59 21.896 1.996 -5.000 1.00 44.11 H new ATOM 0 HG3 GLU A 59 21.496 3.222 -6.187 1.00 44.11 H new ATOM 968 N LEU A 60 18.661 0.135 -3.268 1.00 53.31 N ATOM 969 CA LEU A 60 18.425 -1.276 -3.552 1.00 64.20 C ATOM 970 C LEU A 60 17.033 -1.489 -4.138 1.00 45.03 C ATOM 971 O LEU A 60 16.121 -0.700 -3.897 1.00 10.34 O ATOM 972 CB LEU A 60 18.587 -2.107 -2.278 1.00 0.23 C ATOM 973 CG LEU A 60 17.580 -1.826 -1.161 1.00 63.35 C ATOM 974 CD1 LEU A 60 17.262 -3.102 -0.396 1.00 44.45 C ATOM 975 CD2 LEU A 60 18.113 -0.756 -0.220 1.00 33.02 C ATOM 0 H LEU A 60 17.918 0.588 -2.735 1.00 53.31 H new ATOM 0 HA LEU A 60 19.162 -1.601 -4.287 1.00 64.20 H new ATOM 0 HB2 LEU A 60 18.519 -3.162 -2.545 1.00 0.23 H new ATOM 0 HB3 LEU A 60 19.590 -1.942 -1.885 1.00 0.23 H new ATOM 0 HG LEU A 60 16.658 -1.458 -1.612 1.00 63.35 H new ATOM 0 HD11 LEU A 60 16.544 -2.883 0.395 1.00 44.45 H new ATOM 0 HD12 LEU A 60 16.837 -3.839 -1.078 1.00 44.45 H new ATOM 0 HD13 LEU A 60 18.176 -3.500 0.044 1.00 44.45 H new ATOM 0 HD21 LEU A 60 17.384 -0.569 0.568 1.00 33.02 H new ATOM 0 HD22 LEU A 60 19.049 -1.095 0.224 1.00 33.02 H new ATOM 0 HD23 LEU A 60 18.289 0.164 -0.777 1.00 33.02 H new ATOM 987 N GLU A 61 16.879 -2.562 -4.908 1.00 53.20 N ATOM 988 CA GLU A 61 15.597 -2.878 -5.527 1.00 61.52 C ATOM 989 C GLU A 61 15.299 -4.372 -5.428 1.00 43.14 C ATOM 990 O GLU A 61 15.958 -5.190 -6.070 1.00 35.44 O ATOM 991 CB GLU A 61 15.592 -2.442 -6.994 1.00 23.22 C ATOM 992 CG GLU A 61 14.211 -2.089 -7.519 1.00 61.03 C ATOM 993 CD GLU A 61 14.202 -1.842 -9.015 1.00 73.24 C ATOM 994 OE1 GLU A 61 15.294 -1.679 -9.597 1.00 43.42 O ATOM 995 OE2 GLU A 61 13.101 -1.813 -9.604 1.00 54.12 O ATOM 0 H GLU A 61 17.625 -3.226 -5.118 1.00 53.20 H new ATOM 0 HA GLU A 61 14.820 -2.333 -4.991 1.00 61.52 H new ATOM 0 HB2 GLU A 61 16.247 -1.579 -7.110 1.00 23.22 H new ATOM 0 HB3 GLU A 61 16.010 -3.243 -7.604 1.00 23.22 H new ATOM 0 HG2 GLU A 61 13.519 -2.898 -7.284 1.00 61.03 H new ATOM 0 HG3 GLU A 61 13.847 -1.199 -7.005 1.00 61.03 H new ATOM 1002 N ALA A 62 14.303 -4.718 -4.620 1.00 22.41 N ATOM 1003 CA ALA A 62 13.917 -6.112 -4.438 1.00 32.04 C ATOM 1004 C ALA A 62 13.537 -6.755 -5.767 1.00 44.13 C ATOM 1005 O ALA A 62 12.538 -6.384 -6.383 1.00 22.32 O ATOM 1006 CB ALA A 62 12.763 -6.215 -3.451 1.00 70.11 C ATOM 0 H ALA A 62 13.749 -4.053 -4.081 1.00 22.41 H new ATOM 0 HA ALA A 62 14.775 -6.651 -4.036 1.00 32.04 H new ATOM 0 HB1 ALA A 62 12.485 -7.261 -3.324 1.00 70.11 H new ATOM 0 HB2 ALA A 62 13.068 -5.802 -2.490 1.00 70.11 H new ATOM 0 HB3 ALA A 62 11.908 -5.656 -3.831 1.00 70.11 H new ATOM 1012 N GLN A 63 14.342 -7.719 -6.204 1.00 53.42 N ATOM 1013 CA GLN A 63 14.090 -8.411 -7.462 1.00 73.43 C ATOM 1014 C GLN A 63 13.035 -9.499 -7.283 1.00 45.23 C ATOM 1015 O GLN A 63 12.445 -9.633 -6.212 1.00 63.10 O ATOM 1016 CB GLN A 63 15.384 -9.023 -8.000 1.00 64.21 C ATOM 1017 CG GLN A 63 15.844 -8.415 -9.315 1.00 61.44 C ATOM 1018 CD GLN A 63 14.755 -8.413 -10.369 1.00 55.44 C ATOM 1019 OE1 GLN A 63 14.329 -9.600 -10.785 1.00 14.23 O flip ATOM 1020 NE2 GLN A 63 14.300 -7.355 -10.806 1.00 45.00 N flip ATOM 0 H GLN A 63 15.173 -8.038 -5.706 1.00 53.42 H new ATOM 0 HA GLN A 63 13.716 -7.681 -8.180 1.00 73.43 H new ATOM 0 HB2 GLN A 63 16.171 -8.899 -7.257 1.00 64.21 H new ATOM 0 HB3 GLN A 63 15.240 -10.095 -8.136 1.00 64.21 H new ATOM 0 HG2 GLN A 63 16.178 -7.392 -9.141 1.00 61.44 H new ATOM 0 HG3 GLN A 63 16.704 -8.972 -9.687 1.00 61.44 H new ATOM 0 HE21 GLN A 63 14.656 -6.465 -10.459 1.00 45.00 H new ATOM 0 HE22 GLN A 63 13.567 -7.369 -11.515 1.00 45.00 H new ATOM 1029 N GLU A 64 12.804 -10.272 -8.340 1.00 4.12 N ATOM 1030 CA GLU A 64 11.820 -11.347 -8.298 1.00 51.23 C ATOM 1031 C GLU A 64 12.055 -12.254 -7.094 1.00 1.22 C ATOM 1032 O GLU A 64 11.154 -12.479 -6.286 1.00 12.42 O ATOM 1033 CB GLU A 64 11.875 -12.169 -9.588 1.00 14.42 C ATOM 1034 CG GLU A 64 10.699 -11.920 -10.518 1.00 63.22 C ATOM 1035 CD GLU A 64 10.335 -13.143 -11.338 1.00 23.25 C ATOM 1036 OE1 GLU A 64 11.049 -13.432 -12.321 1.00 1.50 O ATOM 1037 OE2 GLU A 64 9.337 -13.811 -10.996 1.00 63.30 O ATOM 0 H GLU A 64 13.284 -10.174 -9.234 1.00 4.12 H new ATOM 0 HA GLU A 64 10.832 -10.897 -8.204 1.00 51.23 H new ATOM 0 HB2 GLU A 64 12.800 -11.939 -10.116 1.00 14.42 H new ATOM 0 HB3 GLU A 64 11.908 -13.228 -9.333 1.00 14.42 H new ATOM 0 HG2 GLU A 64 9.835 -11.611 -9.930 1.00 63.22 H new ATOM 0 HG3 GLU A 64 10.939 -11.095 -11.189 1.00 63.22 H new ATOM 1044 N LYS A 65 13.273 -12.773 -6.981 1.00 11.04 N ATOM 1045 CA LYS A 65 13.629 -13.655 -5.876 1.00 23.13 C ATOM 1046 C LYS A 65 15.074 -13.429 -5.443 1.00 44.21 C ATOM 1047 O LYS A 65 15.806 -14.380 -5.167 1.00 53.11 O ATOM 1048 CB LYS A 65 13.430 -15.118 -6.279 1.00 53.21 C ATOM 1049 CG LYS A 65 12.438 -15.861 -5.401 1.00 22.23 C ATOM 1050 CD LYS A 65 13.145 -16.695 -4.345 1.00 34.01 C ATOM 1051 CE LYS A 65 12.197 -17.095 -3.224 1.00 52.15 C ATOM 1052 NZ LYS A 65 11.290 -18.202 -3.634 1.00 73.52 N ATOM 0 H LYS A 65 14.030 -12.598 -7.641 1.00 11.04 H new ATOM 0 HA LYS A 65 12.975 -13.424 -5.035 1.00 23.13 H new ATOM 0 HB2 LYS A 65 13.088 -15.158 -7.313 1.00 53.21 H new ATOM 0 HB3 LYS A 65 14.391 -15.631 -6.241 1.00 53.21 H new ATOM 0 HG2 LYS A 65 11.773 -15.146 -4.916 1.00 22.23 H new ATOM 0 HG3 LYS A 65 11.815 -16.507 -6.020 1.00 22.23 H new ATOM 0 HD2 LYS A 65 13.563 -17.590 -4.806 1.00 34.01 H new ATOM 0 HD3 LYS A 65 13.980 -16.129 -3.932 1.00 34.01 H new ATOM 0 HE2 LYS A 65 12.775 -17.403 -2.352 1.00 52.15 H new ATOM 0 HE3 LYS A 65 11.604 -16.231 -2.925 1.00 52.15 H new ATOM 0 HZ1 LYS A 65 10.660 -18.446 -2.843 1.00 73.52 H new ATOM 0 HZ2 LYS A 65 10.720 -17.900 -4.450 1.00 73.52 H new ATOM 0 HZ3 LYS A 65 11.855 -19.035 -3.896 1.00 73.52 H new ATOM 1066 N ARG A 66 15.479 -12.164 -5.385 1.00 33.10 N ATOM 1067 CA ARG A 66 16.836 -11.814 -4.986 1.00 3.35 C ATOM 1068 C ARG A 66 16.900 -10.375 -4.481 1.00 44.12 C ATOM 1069 O ARG A 66 15.891 -9.671 -4.452 1.00 12.22 O ATOM 1070 CB ARG A 66 17.800 -11.997 -6.160 1.00 33.24 C ATOM 1071 CG ARG A 66 18.452 -13.369 -6.203 1.00 65.21 C ATOM 1072 CD ARG A 66 19.553 -13.430 -7.251 1.00 54.32 C ATOM 1073 NE ARG A 66 20.272 -14.700 -7.216 1.00 44.14 N ATOM 1074 CZ ARG A 66 19.789 -15.833 -7.714 1.00 15.33 C ATOM 1075 NH1 ARG A 66 18.590 -15.853 -8.281 1.00 64.02 N ATOM 1076 NH2 ARG A 66 20.504 -16.948 -7.644 1.00 72.13 N ATOM 0 H ARG A 66 14.886 -11.365 -5.609 1.00 33.10 H new ATOM 0 HA ARG A 66 17.132 -12.480 -4.175 1.00 3.35 H new ATOM 0 HB2 ARG A 66 17.260 -11.831 -7.092 1.00 33.24 H new ATOM 0 HB3 ARG A 66 18.578 -11.236 -6.103 1.00 33.24 H new ATOM 0 HG2 ARG A 66 18.867 -13.607 -5.224 1.00 65.21 H new ATOM 0 HG3 ARG A 66 17.698 -14.125 -6.422 1.00 65.21 H new ATOM 0 HD2 ARG A 66 19.120 -13.286 -8.241 1.00 54.32 H new ATOM 0 HD3 ARG A 66 20.254 -12.612 -7.088 1.00 54.32 H new ATOM 0 HE ARG A 66 21.196 -14.719 -6.785 1.00 44.14 H new ATOM 0 HH11 ARG A 66 18.037 -14.998 -8.335 1.00 64.02 H new ATOM 0 HH12 ARG A 66 18.221 -16.724 -8.663 1.00 64.02 H new ATOM 0 HH21 ARG A 66 21.426 -16.936 -7.207 1.00 72.13 H new ATOM 0 HH22 ARG A 66 20.132 -17.817 -8.027 1.00 72.13 H new ATOM 1090 N PHE A 67 18.094 -9.945 -4.085 1.00 14.02 N ATOM 1091 CA PHE A 67 18.289 -8.591 -3.580 1.00 45.11 C ATOM 1092 C PHE A 67 19.641 -8.036 -4.021 1.00 20.43 C ATOM 1093 O PHE A 67 20.627 -8.769 -4.109 1.00 42.33 O ATOM 1094 CB PHE A 67 18.192 -8.574 -2.053 1.00 53.23 C ATOM 1095 CG PHE A 67 16.880 -8.051 -1.542 1.00 53.34 C ATOM 1096 CD1 PHE A 67 15.753 -8.857 -1.536 1.00 12.33 C ATOM 1097 CD2 PHE A 67 16.773 -6.753 -1.069 1.00 43.33 C ATOM 1098 CE1 PHE A 67 14.544 -8.379 -1.066 1.00 11.41 C ATOM 1099 CE2 PHE A 67 15.567 -6.269 -0.598 1.00 24.31 C ATOM 1100 CZ PHE A 67 14.451 -7.083 -0.597 1.00 41.24 C ATOM 0 H PHE A 67 18.940 -10.514 -4.104 1.00 14.02 H new ATOM 0 HA PHE A 67 17.503 -7.959 -3.994 1.00 45.11 H new ATOM 0 HB2 PHE A 67 18.343 -9.586 -1.676 1.00 53.23 H new ATOM 0 HB3 PHE A 67 18.999 -7.961 -1.652 1.00 53.23 H new ATOM 0 HD1 PHE A 67 15.820 -9.871 -1.903 1.00 12.33 H new ATOM 0 HD2 PHE A 67 17.642 -6.112 -1.068 1.00 43.33 H new ATOM 0 HE1 PHE A 67 13.673 -9.018 -1.065 1.00 11.41 H new ATOM 0 HE2 PHE A 67 15.497 -5.256 -0.231 1.00 24.31 H new ATOM 0 HZ PHE A 67 13.507 -6.707 -0.230 1.00 41.24 H new ATOM 1110 N THR A 68 19.679 -6.736 -4.297 1.00 22.50 N ATOM 1111 CA THR A 68 20.908 -6.083 -4.730 1.00 53.11 C ATOM 1112 C THR A 68 21.037 -4.694 -4.116 1.00 42.43 C ATOM 1113 O THR A 68 20.056 -3.957 -4.010 1.00 30.53 O ATOM 1114 CB THR A 68 20.969 -5.962 -6.264 1.00 53.44 C ATOM 1115 OG1 THR A 68 22.184 -5.314 -6.657 1.00 23.42 O ATOM 1116 CG2 THR A 68 19.777 -5.177 -6.793 1.00 62.41 C ATOM 0 H THR A 68 18.873 -6.115 -4.228 1.00 22.50 H new ATOM 0 HA THR A 68 21.735 -6.706 -4.389 1.00 53.11 H new ATOM 0 HB THR A 68 20.940 -6.966 -6.686 1.00 53.44 H new ATOM 0 HG1 THR A 68 22.215 -5.243 -7.634 1.00 23.42 H new ATOM 0 HG21 THR A 68 19.842 -5.105 -7.879 1.00 62.41 H new ATOM 0 HG22 THR A 68 18.854 -5.687 -6.518 1.00 62.41 H new ATOM 0 HG23 THR A 68 19.780 -4.176 -6.362 1.00 62.41 H new ATOM 1124 N TYR A 69 22.253 -4.340 -3.715 1.00 21.42 N ATOM 1125 CA TYR A 69 22.510 -3.039 -3.110 1.00 3.12 C ATOM 1126 C TYR A 69 23.691 -2.348 -3.785 1.00 53.25 C ATOM 1127 O TYR A 69 24.376 -2.939 -4.620 1.00 23.34 O ATOM 1128 CB TYR A 69 22.784 -3.194 -1.613 1.00 64.20 C ATOM 1129 CG TYR A 69 24.174 -3.703 -1.301 1.00 53.04 C ATOM 1130 CD1 TYR A 69 24.565 -4.983 -1.673 1.00 64.25 C ATOM 1131 CD2 TYR A 69 25.094 -2.904 -0.634 1.00 62.33 C ATOM 1132 CE1 TYR A 69 25.833 -5.453 -1.390 1.00 44.23 C ATOM 1133 CE2 TYR A 69 26.365 -3.365 -0.348 1.00 73.04 C ATOM 1134 CZ TYR A 69 26.730 -4.640 -0.728 1.00 54.22 C ATOM 1135 OH TYR A 69 27.994 -5.103 -0.444 1.00 12.11 O ATOM 0 H TYR A 69 23.076 -4.936 -3.798 1.00 21.42 H new ATOM 0 HA TYR A 69 21.623 -2.421 -3.248 1.00 3.12 H new ATOM 0 HB2 TYR A 69 22.641 -2.230 -1.124 1.00 64.20 H new ATOM 0 HB3 TYR A 69 22.051 -3.879 -1.187 1.00 64.20 H new ATOM 0 HD1 TYR A 69 23.866 -5.622 -2.192 1.00 64.25 H new ATOM 0 HD2 TYR A 69 24.811 -1.906 -0.334 1.00 62.33 H new ATOM 0 HE1 TYR A 69 26.121 -6.451 -1.685 1.00 44.23 H new ATOM 0 HE2 TYR A 69 27.069 -2.731 0.170 1.00 73.04 H new ATOM 0 HH TYR A 69 27.948 -5.750 0.290 1.00 12.11 H new ATOM 1145 N ARG A 70 23.922 -1.092 -3.418 1.00 53.41 N ATOM 1146 CA ARG A 70 25.018 -0.318 -3.988 1.00 63.31 C ATOM 1147 C ARG A 70 25.624 0.617 -2.945 1.00 74.13 C ATOM 1148 O ARG A 70 24.990 0.932 -1.937 1.00 45.35 O ATOM 1149 CB ARG A 70 24.529 0.490 -5.191 1.00 41.31 C ATOM 1150 CG ARG A 70 24.306 -0.349 -6.439 1.00 12.33 C ATOM 1151 CD ARG A 70 22.848 -0.758 -6.581 1.00 23.31 C ATOM 1152 NE ARG A 70 22.441 -0.853 -7.980 1.00 75.41 N ATOM 1153 CZ ARG A 70 21.188 -1.066 -8.368 1.00 31.34 C ATOM 1154 NH1 ARG A 70 20.226 -1.205 -7.466 1.00 11.01 N ATOM 1155 NH2 ARG A 70 20.895 -1.140 -9.660 1.00 24.22 N ATOM 0 H ARG A 70 23.364 -0.588 -2.728 1.00 53.41 H new ATOM 0 HA ARG A 70 25.789 -1.015 -4.317 1.00 63.31 H new ATOM 0 HB2 ARG A 70 23.596 0.989 -4.928 1.00 41.31 H new ATOM 0 HB3 ARG A 70 25.257 1.271 -5.414 1.00 41.31 H new ATOM 0 HG2 ARG A 70 24.614 0.216 -7.319 1.00 12.33 H new ATOM 0 HG3 ARG A 70 24.933 -1.240 -6.397 1.00 12.33 H new ATOM 0 HD2 ARG A 70 22.692 -1.719 -6.092 1.00 23.31 H new ATOM 0 HD3 ARG A 70 22.216 -0.033 -6.068 1.00 23.31 H new ATOM 0 HE ARG A 70 23.157 -0.750 -8.699 1.00 75.41 H new ATOM 0 HH11 ARG A 70 20.447 -1.148 -6.472 1.00 11.01 H new ATOM 0 HH12 ARG A 70 19.265 -1.368 -7.766 1.00 11.01 H new ATOM 0 HH21 ARG A 70 21.632 -1.033 -10.357 1.00 24.22 H new ATOM 0 HH22 ARG A 70 19.933 -1.304 -9.956 1.00 24.22 H new ATOM 1169 N TYR A 71 26.852 1.056 -3.194 1.00 42.14 N ATOM 1170 CA TYR A 71 27.544 1.952 -2.276 1.00 43.50 C ATOM 1171 C TYR A 71 27.828 3.297 -2.938 1.00 1.52 C ATOM 1172 O TYR A 71 28.500 3.365 -3.967 1.00 10.04 O ATOM 1173 CB TYR A 71 28.853 1.319 -1.801 1.00 30.00 C ATOM 1174 CG TYR A 71 29.691 0.747 -2.922 1.00 73.22 C ATOM 1175 CD1 TYR A 71 29.454 -0.533 -3.408 1.00 64.34 C ATOM 1176 CD2 TYR A 71 30.719 1.485 -3.495 1.00 12.44 C ATOM 1177 CE1 TYR A 71 30.218 -1.061 -4.432 1.00 54.42 C ATOM 1178 CE2 TYR A 71 31.486 0.967 -4.520 1.00 30.24 C ATOM 1179 CZ TYR A 71 31.232 -0.307 -4.985 1.00 13.42 C ATOM 1180 OH TYR A 71 31.995 -0.827 -6.005 1.00 33.43 O ATOM 0 H TYR A 71 27.389 0.806 -4.024 1.00 42.14 H new ATOM 0 HA TYR A 71 26.896 2.120 -1.416 1.00 43.50 H new ATOM 0 HB2 TYR A 71 29.437 2.069 -1.268 1.00 30.00 H new ATOM 0 HB3 TYR A 71 28.626 0.527 -1.088 1.00 30.00 H new ATOM 0 HD1 TYR A 71 28.660 -1.125 -2.979 1.00 64.34 H new ATOM 0 HD2 TYR A 71 30.922 2.482 -3.132 1.00 12.44 H new ATOM 0 HE1 TYR A 71 30.022 -2.058 -4.797 1.00 54.42 H new ATOM 0 HE2 TYR A 71 32.280 1.556 -4.955 1.00 30.24 H new ATOM 0 HH TYR A 71 32.665 -0.167 -6.282 1.00 33.43 H new ATOM 1190 N GLN A 72 27.311 4.365 -2.338 1.00 42.25 N ATOM 1191 CA GLN A 72 27.509 5.709 -2.869 1.00 74.11 C ATOM 1192 C GLN A 72 27.858 6.689 -1.754 1.00 33.22 C ATOM 1193 O GLN A 72 27.204 6.717 -0.711 1.00 20.22 O ATOM 1194 CB GLN A 72 26.252 6.180 -3.603 1.00 71.11 C ATOM 1195 CG GLN A 72 26.195 5.738 -5.057 1.00 13.14 C ATOM 1196 CD GLN A 72 25.431 6.711 -5.933 1.00 1.42 C ATOM 1197 OE1 GLN A 72 24.205 6.801 -5.859 1.00 62.22 O ATOM 1198 NE2 GLN A 72 26.154 7.448 -6.769 1.00 35.02 N ATOM 0 H GLN A 72 26.753 4.326 -1.485 1.00 42.25 H new ATOM 0 HA GLN A 72 28.341 5.676 -3.572 1.00 74.11 H new ATOM 0 HB2 GLN A 72 25.373 5.800 -3.082 1.00 71.11 H new ATOM 0 HB3 GLN A 72 26.203 7.268 -3.560 1.00 71.11 H new ATOM 0 HG2 GLN A 72 27.210 5.630 -5.440 1.00 13.14 H new ATOM 0 HG3 GLN A 72 25.726 4.756 -5.116 1.00 13.14 H new ATOM 0 HE21 GLN A 72 27.168 7.341 -6.797 1.00 35.02 H new ATOM 0 HE22 GLN A 72 25.695 8.121 -7.383 1.00 35.02 H new ATOM 1207 N PHE A 73 28.892 7.491 -1.980 1.00 43.44 N ATOM 1208 CA PHE A 73 29.329 8.472 -0.994 1.00 4.31 C ATOM 1209 C PHE A 73 28.751 9.850 -1.304 1.00 4.12 C ATOM 1210 O PHE A 73 28.383 10.139 -2.441 1.00 41.34 O ATOM 1211 CB PHE A 73 30.857 8.544 -0.957 1.00 44.44 C ATOM 1212 CG PHE A 73 31.485 7.511 -0.066 1.00 61.14 C ATOM 1213 CD1 PHE A 73 31.306 6.160 -0.317 1.00 12.02 C ATOM 1214 CD2 PHE A 73 32.254 7.890 1.022 1.00 41.40 C ATOM 1215 CE1 PHE A 73 31.882 5.206 0.501 1.00 43.31 C ATOM 1216 CE2 PHE A 73 32.833 6.941 1.843 1.00 44.31 C ATOM 1217 CZ PHE A 73 32.646 5.598 1.583 1.00 63.32 C ATOM 0 H PHE A 73 29.444 7.481 -2.838 1.00 43.44 H new ATOM 0 HA PHE A 73 28.963 8.155 -0.017 1.00 4.31 H new ATOM 0 HB2 PHE A 73 31.243 8.422 -1.969 1.00 44.44 H new ATOM 0 HB3 PHE A 73 31.158 9.535 -0.618 1.00 44.44 H new ATOM 0 HD1 PHE A 73 30.709 5.849 -1.162 1.00 12.02 H new ATOM 0 HD2 PHE A 73 32.403 8.939 1.231 1.00 41.40 H new ATOM 0 HE1 PHE A 73 31.735 4.156 0.294 1.00 43.31 H new ATOM 0 HE2 PHE A 73 33.431 7.250 2.687 1.00 44.31 H new ATOM 0 HZ PHE A 73 33.096 4.855 2.225 1.00 63.32 H new ATOM 1227 N GLY A 74 28.675 10.697 -0.281 1.00 75.24 N ATOM 1228 CA GLY A 74 28.140 12.034 -0.464 1.00 31.40 C ATOM 1229 C GLY A 74 27.598 12.622 0.824 1.00 72.15 C ATOM 1230 O GLY A 74 27.715 12.016 1.890 1.00 42.24 O ATOM 0 H GLY A 74 28.974 10.481 0.670 1.00 75.24 H new ATOM 0 HA2 GLY A 74 28.922 12.684 -0.856 1.00 31.40 H new ATOM 0 HA3 GLY A 74 27.345 12.005 -1.210 1.00 31.40 H new ATOM 1234 N LEU A 75 27.004 13.806 0.727 1.00 52.23 N ATOM 1235 CA LEU A 75 26.443 14.478 1.894 1.00 54.35 C ATOM 1236 C LEU A 75 24.918 14.442 1.862 1.00 60.01 C ATOM 1237 O LEU A 75 24.306 14.547 0.799 1.00 51.21 O ATOM 1238 CB LEU A 75 26.928 15.928 1.955 1.00 64.55 C ATOM 1239 CG LEU A 75 26.147 16.859 2.882 1.00 73.03 C ATOM 1240 CD1 LEU A 75 26.177 16.339 4.310 1.00 22.24 C ATOM 1241 CD2 LEU A 75 26.708 18.272 2.815 1.00 55.05 C ATOM 0 H LEU A 75 26.898 14.321 -0.147 1.00 52.23 H new ATOM 0 HA LEU A 75 26.783 13.950 2.785 1.00 54.35 H new ATOM 0 HB2 LEU A 75 27.972 15.928 2.269 1.00 64.55 H new ATOM 0 HB3 LEU A 75 26.898 16.343 0.947 1.00 64.55 H new ATOM 0 HG LEU A 75 25.110 16.885 2.549 1.00 73.03 H new ATOM 0 HD11 LEU A 75 25.616 17.015 4.955 1.00 22.24 H new ATOM 0 HD12 LEU A 75 25.727 15.347 4.345 1.00 22.24 H new ATOM 0 HD13 LEU A 75 27.209 16.282 4.655 1.00 22.24 H new ATOM 0 HD21 LEU A 75 26.140 18.921 3.481 1.00 55.05 H new ATOM 0 HD22 LEU A 75 27.754 18.263 3.122 1.00 55.05 H new ATOM 0 HD23 LEU A 75 26.633 18.645 1.794 1.00 55.05 H new ATOM 1253 N PHE A 76 24.310 14.294 3.035 1.00 44.44 N ATOM 1254 CA PHE A 76 22.857 14.246 3.142 1.00 71.43 C ATOM 1255 C PHE A 76 22.319 15.503 3.817 1.00 12.45 C ATOM 1256 O PHE A 76 22.389 15.644 5.039 1.00 63.44 O ATOM 1257 CB PHE A 76 22.424 13.006 3.927 1.00 34.00 C ATOM 1258 CG PHE A 76 20.953 12.974 4.233 1.00 24.11 C ATOM 1259 CD1 PHE A 76 20.018 13.036 3.212 1.00 4.04 C ATOM 1260 CD2 PHE A 76 20.506 12.881 5.541 1.00 5.12 C ATOM 1261 CE1 PHE A 76 18.665 13.008 3.491 1.00 21.54 C ATOM 1262 CE2 PHE A 76 19.154 12.852 5.826 1.00 23.34 C ATOM 1263 CZ PHE A 76 18.232 12.914 4.800 1.00 65.01 C ATOM 0 H PHE A 76 24.801 14.205 3.924 1.00 44.44 H new ATOM 0 HA PHE A 76 22.445 14.192 2.134 1.00 71.43 H new ATOM 0 HB2 PHE A 76 22.688 12.115 3.358 1.00 34.00 H new ATOM 0 HB3 PHE A 76 22.983 12.964 4.862 1.00 34.00 H new ATOM 0 HD1 PHE A 76 20.351 13.107 2.187 1.00 4.04 H new ATOM 0 HD2 PHE A 76 21.223 12.831 6.347 1.00 5.12 H new ATOM 0 HE1 PHE A 76 17.946 13.060 2.687 1.00 21.54 H new ATOM 0 HE2 PHE A 76 18.819 12.781 6.850 1.00 23.34 H new ATOM 0 HZ PHE A 76 17.175 12.889 5.020 1.00 65.01 H new ATOM 1273 N ASP A 77 21.782 16.416 3.014 1.00 22.55 N ATOM 1274 CA ASP A 77 21.231 17.662 3.534 1.00 44.05 C ATOM 1275 C ASP A 77 19.846 17.437 4.130 1.00 35.11 C ATOM 1276 O ASP A 77 19.257 16.367 3.974 1.00 32.13 O ATOM 1277 CB ASP A 77 21.158 18.713 2.425 1.00 44.03 C ATOM 1278 CG ASP A 77 21.084 20.126 2.970 1.00 74.40 C ATOM 1279 OD1 ASP A 77 21.295 20.303 4.188 1.00 40.03 O ATOM 1280 OD2 ASP A 77 20.813 21.054 2.179 1.00 32.31 O ATOM 0 H ASP A 77 21.717 16.316 2.001 1.00 22.55 H new ATOM 0 HA ASP A 77 21.892 18.022 4.323 1.00 44.05 H new ATOM 0 HB2 ASP A 77 22.033 18.620 1.782 1.00 44.03 H new ATOM 0 HB3 ASP A 77 20.284 18.520 1.803 1.00 44.03 H new ATOM 1285 N LYS A 78 19.330 18.452 4.815 1.00 52.11 N ATOM 1286 CA LYS A 78 18.013 18.367 5.436 1.00 62.44 C ATOM 1287 C LYS A 78 16.914 18.350 4.379 1.00 75.04 C ATOM 1288 O LYS A 78 15.828 17.819 4.609 1.00 15.41 O ATOM 1289 CB LYS A 78 17.800 19.543 6.391 1.00 54.24 C ATOM 1290 CG LYS A 78 17.540 20.862 5.683 1.00 62.22 C ATOM 1291 CD LYS A 78 16.052 21.140 5.550 1.00 43.10 C ATOM 1292 CE LYS A 78 15.508 21.856 6.776 1.00 15.13 C ATOM 1293 NZ LYS A 78 15.488 23.334 6.593 1.00 72.23 N ATOM 0 H LYS A 78 19.804 19.344 4.954 1.00 52.11 H new ATOM 0 HA LYS A 78 17.964 17.436 6.001 1.00 62.44 H new ATOM 0 HB2 LYS A 78 16.958 19.320 7.047 1.00 54.24 H new ATOM 0 HB3 LYS A 78 18.680 19.648 7.026 1.00 54.24 H new ATOM 0 HG2 LYS A 78 18.014 21.673 6.236 1.00 62.22 H new ATOM 0 HG3 LYS A 78 17.997 20.841 4.694 1.00 62.22 H new ATOM 0 HD2 LYS A 78 15.872 21.747 4.663 1.00 43.10 H new ATOM 0 HD3 LYS A 78 15.517 20.201 5.408 1.00 43.10 H new ATOM 0 HE2 LYS A 78 14.498 21.502 6.985 1.00 15.13 H new ATOM 0 HE3 LYS A 78 16.119 21.606 7.643 1.00 15.13 H new ATOM 0 HZ1 LYS A 78 14.631 23.727 7.033 1.00 72.23 H new ATOM 0 HZ2 LYS A 78 16.329 23.751 7.040 1.00 72.23 H new ATOM 0 HZ3 LYS A 78 15.489 23.558 5.577 1.00 72.23 H new ATOM 1307 N GLU A 79 17.204 18.933 3.220 1.00 52.03 N ATOM 1308 CA GLU A 79 16.239 18.984 2.128 1.00 74.41 C ATOM 1309 C GLU A 79 16.174 17.646 1.396 1.00 3.11 C ATOM 1310 O GLU A 79 15.299 17.425 0.561 1.00 74.41 O ATOM 1311 CB GLU A 79 16.604 20.098 1.145 1.00 5.04 C ATOM 1312 CG GLU A 79 15.973 21.438 1.482 1.00 14.22 C ATOM 1313 CD GLU A 79 14.471 21.444 1.272 1.00 11.32 C ATOM 1314 OE1 GLU A 79 13.941 20.444 0.745 1.00 12.13 O ATOM 1315 OE2 GLU A 79 13.826 22.450 1.635 1.00 11.34 O ATOM 0 H GLU A 79 18.099 19.376 3.013 1.00 52.03 H new ATOM 0 HA GLU A 79 15.258 19.194 2.555 1.00 74.41 H new ATOM 0 HB2 GLU A 79 17.688 20.211 1.124 1.00 5.04 H new ATOM 0 HB3 GLU A 79 16.295 19.802 0.143 1.00 5.04 H new ATOM 0 HG2 GLU A 79 16.192 21.688 2.520 1.00 14.22 H new ATOM 0 HG3 GLU A 79 16.426 22.214 0.865 1.00 14.22 H new ATOM 1322 N GLY A 80 17.110 16.757 1.716 1.00 11.24 N ATOM 1323 CA GLY A 80 17.143 15.453 1.081 1.00 52.15 C ATOM 1324 C GLY A 80 17.540 15.530 -0.380 1.00 45.22 C ATOM 1325 O GLY A 80 17.343 14.579 -1.135 1.00 24.11 O ATOM 0 H GLY A 80 17.846 16.917 2.404 1.00 11.24 H new ATOM 0 HA2 GLY A 80 17.846 14.811 1.612 1.00 52.15 H new ATOM 0 HA3 GLY A 80 16.161 14.987 1.164 1.00 52.15 H new ATOM 1329 N ASN A 81 18.101 16.667 -0.780 1.00 53.12 N ATOM 1330 CA ASN A 81 18.525 16.866 -2.161 1.00 71.43 C ATOM 1331 C ASN A 81 19.932 16.319 -2.382 1.00 41.10 C ATOM 1332 O ASN A 81 20.866 16.674 -1.663 1.00 64.12 O ATOM 1333 CB ASN A 81 18.481 18.352 -2.522 1.00 34.13 C ATOM 1334 CG ASN A 81 17.083 18.818 -2.882 1.00 1.25 C ATOM 1335 OD1 ASN A 81 16.373 18.159 -3.641 1.00 43.25 O ATOM 1336 ND2 ASN A 81 16.682 19.960 -2.336 1.00 12.34 N ATOM 0 H ASN A 81 18.272 17.464 -0.167 1.00 53.12 H new ATOM 0 HA ASN A 81 17.837 16.322 -2.808 1.00 71.43 H new ATOM 0 HB2 ASN A 81 18.851 18.939 -1.681 1.00 34.13 H new ATOM 0 HB3 ASN A 81 19.151 18.539 -3.361 1.00 34.13 H new ATOM 0 HD21 ASN A 81 15.751 20.324 -2.541 1.00 12.34 H new ATOM 0 HD22 ASN A 81 17.305 20.473 -1.712 1.00 12.34 H new ATOM 1343 N TRP A 82 20.075 15.455 -3.380 1.00 41.13 N ATOM 1344 CA TRP A 82 21.369 14.860 -3.696 1.00 74.23 C ATOM 1345 C TRP A 82 22.435 15.936 -3.871 1.00 31.43 C ATOM 1346 O TRP A 82 22.305 16.823 -4.715 1.00 33.21 O ATOM 1347 CB TRP A 82 21.267 14.014 -4.967 1.00 2.22 C ATOM 1348 CG TRP A 82 20.253 12.915 -4.869 1.00 63.22 C ATOM 1349 CD1 TRP A 82 20.420 11.696 -4.276 1.00 65.13 C ATOM 1350 CD2 TRP A 82 18.916 12.934 -5.382 1.00 25.15 C ATOM 1351 NE1 TRP A 82 19.268 10.956 -4.389 1.00 40.13 N ATOM 1352 CE2 TRP A 82 18.330 11.693 -5.062 1.00 42.53 C ATOM 1353 CE3 TRP A 82 18.157 13.879 -6.077 1.00 20.32 C ATOM 1354 CZ2 TRP A 82 17.022 11.376 -5.417 1.00 33.15 C ATOM 1355 CZ3 TRP A 82 16.859 13.562 -6.428 1.00 34.21 C ATOM 1356 CH2 TRP A 82 16.301 12.320 -6.097 1.00 22.41 C ATOM 0 H TRP A 82 19.312 15.151 -3.984 1.00 41.13 H new ATOM 0 HA TRP A 82 21.660 14.219 -2.863 1.00 74.23 H new ATOM 0 HB2 TRP A 82 21.011 14.661 -5.806 1.00 2.22 H new ATOM 0 HB3 TRP A 82 22.243 13.580 -5.185 1.00 2.22 H new ATOM 0 HD1 TRP A 82 21.325 11.363 -3.790 1.00 65.13 H new ATOM 0 HE1 TRP A 82 19.133 10.011 -4.030 1.00 40.13 H new ATOM 0 HE3 TRP A 82 18.577 14.840 -6.335 1.00 20.32 H new ATOM 0 HZ2 TRP A 82 16.591 10.418 -5.165 1.00 33.15 H new ATOM 0 HZ3 TRP A 82 16.264 14.284 -6.967 1.00 34.21 H new ATOM 0 HH2 TRP A 82 15.283 12.103 -6.384 1.00 22.41 H new ATOM 1367 N THR A 83 23.491 15.852 -3.067 1.00 51.13 N ATOM 1368 CA THR A 83 24.579 16.819 -3.133 1.00 3.24 C ATOM 1369 C THR A 83 25.921 16.158 -2.838 1.00 72.10 C ATOM 1370 O THR A 83 26.219 15.818 -1.693 1.00 33.11 O ATOM 1371 CB THR A 83 24.362 17.977 -2.141 1.00 11.45 C ATOM 1372 OG1 THR A 83 22.981 18.354 -2.123 1.00 14.35 O ATOM 1373 CG2 THR A 83 25.216 19.179 -2.516 1.00 52.01 C ATOM 0 H THR A 83 23.615 15.124 -2.363 1.00 51.13 H new ATOM 0 HA THR A 83 24.588 17.216 -4.148 1.00 3.24 H new ATOM 0 HB THR A 83 24.658 17.636 -1.149 1.00 11.45 H new ATOM 0 HG1 THR A 83 22.443 17.609 -1.783 1.00 14.35 H new ATOM 0 HG21 THR A 83 25.045 19.984 -1.801 1.00 52.01 H new ATOM 0 HG22 THR A 83 26.269 18.897 -2.500 1.00 52.01 H new ATOM 0 HG23 THR A 83 24.947 19.519 -3.516 1.00 52.01 H new ATOM 1381 N VAL A 84 26.728 15.979 -3.879 1.00 21.52 N ATOM 1382 CA VAL A 84 28.040 15.359 -3.731 1.00 53.20 C ATOM 1383 C VAL A 84 29.087 16.384 -3.309 1.00 72.20 C ATOM 1384 O VAL A 84 29.309 17.380 -3.997 1.00 15.42 O ATOM 1385 CB VAL A 84 28.494 14.687 -5.040 1.00 73.13 C ATOM 1386 CG1 VAL A 84 27.622 13.479 -5.351 1.00 4.42 C ATOM 1387 CG2 VAL A 84 28.465 15.684 -6.189 1.00 5.45 C ATOM 0 H VAL A 84 26.497 16.254 -4.834 1.00 21.52 H new ATOM 0 HA VAL A 84 27.946 14.599 -2.955 1.00 53.20 H new ATOM 0 HB VAL A 84 29.520 14.342 -4.913 1.00 73.13 H new ATOM 0 HG11 VAL A 84 27.958 13.017 -6.279 1.00 4.42 H new ATOM 0 HG12 VAL A 84 27.698 12.757 -4.538 1.00 4.42 H new ATOM 0 HG13 VAL A 84 26.585 13.797 -5.458 1.00 4.42 H new ATOM 0 HG21 VAL A 84 28.789 15.192 -7.106 1.00 5.45 H new ATOM 0 HG22 VAL A 84 27.450 16.061 -6.318 1.00 5.45 H new ATOM 0 HG23 VAL A 84 29.135 16.515 -5.967 1.00 5.45 H new ATOM 1397 N VAL A 85 29.729 16.132 -2.173 1.00 24.40 N ATOM 1398 CA VAL A 85 30.755 17.031 -1.659 1.00 43.21 C ATOM 1399 C VAL A 85 32.014 16.264 -1.270 1.00 11.04 C ATOM 1400 O VAL A 85 31.970 15.081 -0.931 1.00 1.22 O ATOM 1401 CB VAL A 85 30.249 17.820 -0.437 1.00 21.23 C ATOM 1402 CG1 VAL A 85 29.114 18.751 -0.834 1.00 72.34 C ATOM 1403 CG2 VAL A 85 29.808 16.868 0.665 1.00 2.43 C ATOM 0 H VAL A 85 29.557 15.312 -1.591 1.00 24.40 H new ATOM 0 HA VAL A 85 30.993 17.730 -2.460 1.00 43.21 H new ATOM 0 HB VAL A 85 31.068 18.429 -0.055 1.00 21.23 H new ATOM 0 HG11 VAL A 85 28.770 19.300 0.043 1.00 72.34 H new ATOM 0 HG12 VAL A 85 29.468 19.455 -1.587 1.00 72.34 H new ATOM 0 HG13 VAL A 85 28.290 18.166 -1.243 1.00 72.34 H new ATOM 0 HG21 VAL A 85 29.453 17.442 1.521 1.00 2.43 H new ATOM 0 HG22 VAL A 85 29.003 16.232 0.296 1.00 2.43 H new ATOM 0 HG23 VAL A 85 30.651 16.247 0.968 1.00 2.43 H new ATOM 1413 N PRO A 86 33.165 16.952 -1.318 1.00 35.44 N ATOM 1414 CA PRO A 86 34.458 16.355 -0.972 1.00 2.10 C ATOM 1415 C PRO A 86 34.582 16.062 0.519 1.00 14.34 C ATOM 1416 O PRO A 86 34.109 16.834 1.354 1.00 14.31 O ATOM 1417 CB PRO A 86 35.467 17.427 -1.392 1.00 13.43 C ATOM 1418 CG PRO A 86 34.706 18.707 -1.334 1.00 34.33 C ATOM 1419 CD PRO A 86 33.291 18.365 -1.712 1.00 62.45 C ATOM 0 HA PRO A 86 34.607 15.393 -1.463 1.00 2.10 H new ATOM 0 HB2 PRO A 86 36.326 17.446 -0.721 1.00 13.43 H new ATOM 0 HB3 PRO A 86 35.850 17.239 -2.395 1.00 13.43 H new ATOM 0 HG2 PRO A 86 34.749 19.142 -0.335 1.00 34.33 H new ATOM 0 HG3 PRO A 86 35.126 19.442 -2.020 1.00 34.33 H new ATOM 0 HD2 PRO A 86 32.572 18.994 -1.188 1.00 62.45 H new ATOM 0 HD3 PRO A 86 33.116 18.502 -2.779 1.00 62.45 H new ATOM 1427 N ILE A 87 35.220 14.944 0.847 1.00 32.03 N ATOM 1428 CA ILE A 87 35.406 14.551 2.239 1.00 42.25 C ATOM 1429 C ILE A 87 36.745 15.047 2.775 1.00 14.32 C ATOM 1430 O ILE A 87 37.804 14.631 2.309 1.00 23.03 O ATOM 1431 CB ILE A 87 35.334 13.022 2.406 1.00 34.03 C ATOM 1432 CG1 ILE A 87 33.975 12.499 1.934 1.00 4.21 C ATOM 1433 CG2 ILE A 87 35.581 12.636 3.857 1.00 15.11 C ATOM 1434 CD1 ILE A 87 32.814 12.995 2.767 1.00 22.44 C ATOM 0 H ILE A 87 35.617 14.294 0.168 1.00 32.03 H new ATOM 0 HA ILE A 87 34.597 15.009 2.808 1.00 42.25 H new ATOM 0 HB ILE A 87 36.111 12.567 1.792 1.00 34.03 H new ATOM 0 HG12 ILE A 87 33.821 12.796 0.897 1.00 4.21 H new ATOM 0 HG13 ILE A 87 33.987 11.409 1.955 1.00 4.21 H new ATOM 0 HG21 ILE A 87 35.527 11.552 3.959 1.00 15.11 H new ATOM 0 HG22 ILE A 87 36.569 12.980 4.162 1.00 15.11 H new ATOM 0 HG23 ILE A 87 34.824 13.098 4.490 1.00 15.11 H new ATOM 0 HD11 ILE A 87 31.883 12.585 2.375 1.00 22.44 H new ATOM 0 HD12 ILE A 87 32.945 12.675 3.801 1.00 22.44 H new ATOM 0 HD13 ILE A 87 32.776 14.084 2.726 1.00 22.44 H new ATOM 1446 N ASN A 88 36.688 15.939 3.759 1.00 35.45 N ATOM 1447 CA ASN A 88 37.896 16.491 4.361 1.00 33.14 C ATOM 1448 C ASN A 88 38.262 15.737 5.636 1.00 13.34 C ATOM 1449 O ASN A 88 37.410 15.106 6.262 1.00 43.43 O ATOM 1450 CB ASN A 88 37.703 17.977 4.671 1.00 35.35 C ATOM 1451 CG ASN A 88 39.018 18.695 4.900 1.00 2.34 C ATOM 1452 OD1 ASN A 88 39.951 18.574 4.106 1.00 53.51 O ATOM 1453 ND2 ASN A 88 39.099 19.448 5.991 1.00 11.23 N ATOM 0 H ASN A 88 35.818 16.295 4.156 1.00 35.45 H new ATOM 0 HA ASN A 88 38.712 16.379 3.647 1.00 33.14 H new ATOM 0 HB2 ASN A 88 37.172 18.452 3.846 1.00 35.35 H new ATOM 0 HB3 ASN A 88 37.076 18.082 5.556 1.00 35.35 H new ATOM 0 HD21 ASN A 88 39.960 19.955 6.198 1.00 11.23 H new ATOM 0 HD22 ASN A 88 38.301 19.520 6.622 1.00 11.23 H new ATOM 1460 N GLU A 89 39.534 15.809 6.015 1.00 21.21 N ATOM 1461 CA GLU A 89 40.012 15.133 7.215 1.00 22.14 C ATOM 1462 C GLU A 89 39.862 13.620 7.084 1.00 24.01 C ATOM 1463 O GLU A 89 38.765 13.079 7.219 1.00 35.40 O ATOM 1464 CB GLU A 89 39.247 15.627 8.445 1.00 44.41 C ATOM 1465 CG GLU A 89 39.114 17.139 8.511 1.00 14.51 C ATOM 1466 CD GLU A 89 39.009 17.654 9.934 1.00 52.25 C ATOM 1467 OE1 GLU A 89 38.278 17.035 10.735 1.00 3.24 O ATOM 1468 OE2 GLU A 89 39.656 18.675 10.245 1.00 44.42 O ATOM 0 H GLU A 89 40.251 16.328 5.509 1.00 21.21 H new ATOM 0 HA GLU A 89 41.070 15.367 7.335 1.00 22.14 H new ATOM 0 HB2 GLU A 89 38.252 15.183 8.446 1.00 44.41 H new ATOM 0 HB3 GLU A 89 39.754 15.276 9.344 1.00 44.41 H new ATOM 0 HG2 GLU A 89 39.976 17.597 8.025 1.00 14.51 H new ATOM 0 HG3 GLU A 89 38.231 17.447 7.951 1.00 14.51 H new ATOM 1475 N THR A 90 40.975 12.942 6.819 1.00 32.31 N ATOM 1476 CA THR A 90 40.968 11.492 6.668 1.00 44.35 C ATOM 1477 C THR A 90 40.346 10.815 7.883 1.00 13.10 C ATOM 1478 O THR A 90 39.785 9.725 7.778 1.00 61.25 O ATOM 1479 CB THR A 90 42.392 10.943 6.461 1.00 25.32 C ATOM 1480 OG1 THR A 90 42.344 9.529 6.238 1.00 5.10 O ATOM 1481 CG2 THR A 90 43.268 11.241 7.669 1.00 11.10 C ATOM 0 H THR A 90 41.892 13.374 6.705 1.00 32.31 H new ATOM 0 HA THR A 90 40.368 11.269 5.786 1.00 44.35 H new ATOM 0 HB THR A 90 42.824 11.434 5.589 1.00 25.32 H new ATOM 0 HG1 THR A 90 43.253 9.188 6.106 1.00 5.10 H new ATOM 0 HG21 THR A 90 44.269 10.844 7.500 1.00 11.10 H new ATOM 0 HG22 THR A 90 43.326 12.319 7.819 1.00 11.10 H new ATOM 0 HG23 THR A 90 42.837 10.774 8.555 1.00 11.10 H new ATOM 1489 N GLU A 91 40.448 11.469 9.036 1.00 34.10 N ATOM 1490 CA GLU A 91 39.894 10.928 10.272 1.00 54.03 C ATOM 1491 C GLU A 91 38.418 10.579 10.099 1.00 21.33 C ATOM 1492 O GLU A 91 37.928 9.606 10.673 1.00 73.03 O ATOM 1493 CB GLU A 91 40.061 11.932 11.414 1.00 22.12 C ATOM 1494 CG GLU A 91 39.637 13.345 11.050 1.00 23.10 C ATOM 1495 CD GLU A 91 39.283 14.179 12.266 1.00 52.24 C ATOM 1496 OE1 GLU A 91 38.441 13.727 13.070 1.00 63.30 O ATOM 1497 OE2 GLU A 91 39.846 15.284 12.413 1.00 60.24 O ATOM 0 H GLU A 91 40.909 12.373 9.140 1.00 34.10 H new ATOM 0 HA GLU A 91 40.439 10.017 10.516 1.00 54.03 H new ATOM 0 HB2 GLU A 91 39.477 11.596 12.270 1.00 22.12 H new ATOM 0 HB3 GLU A 91 41.105 11.944 11.726 1.00 22.12 H new ATOM 0 HG2 GLU A 91 40.443 13.832 10.502 1.00 23.10 H new ATOM 0 HG3 GLU A 91 38.778 13.302 10.381 1.00 23.10 H new ATOM 1504 N VAL A 92 37.715 11.380 9.305 1.00 1.22 N ATOM 1505 CA VAL A 92 36.296 11.157 9.056 1.00 21.41 C ATOM 1506 C VAL A 92 36.086 10.044 8.035 1.00 50.42 C ATOM 1507 O VAL A 92 35.249 9.162 8.225 1.00 24.55 O ATOM 1508 CB VAL A 92 35.606 12.438 8.552 1.00 11.24 C ATOM 1509 CG1 VAL A 92 34.132 12.180 8.281 1.00 72.43 C ATOM 1510 CG2 VAL A 92 35.781 13.567 9.557 1.00 44.23 C ATOM 0 H VAL A 92 38.105 12.190 8.823 1.00 1.22 H new ATOM 0 HA VAL A 92 35.850 10.864 10.006 1.00 21.41 H new ATOM 0 HB VAL A 92 36.076 12.738 7.615 1.00 11.24 H new ATOM 0 HG11 VAL A 92 33.661 13.097 7.926 1.00 72.43 H new ATOM 0 HG12 VAL A 92 34.032 11.403 7.523 1.00 72.43 H new ATOM 0 HG13 VAL A 92 33.645 11.855 9.200 1.00 72.43 H new ATOM 0 HG21 VAL A 92 35.287 14.465 9.185 1.00 44.23 H new ATOM 0 HG22 VAL A 92 35.338 13.278 10.510 1.00 44.23 H new ATOM 0 HG23 VAL A 92 36.843 13.768 9.697 1.00 44.23 H new ATOM 1520 N VAL A 93 36.852 10.093 6.949 1.00 34.22 N ATOM 1521 CA VAL A 93 36.751 9.088 5.897 1.00 0.33 C ATOM 1522 C VAL A 93 36.879 7.680 6.468 1.00 51.41 C ATOM 1523 O VAL A 93 36.263 6.740 5.968 1.00 64.43 O ATOM 1524 CB VAL A 93 37.832 9.294 4.820 1.00 62.23 C ATOM 1525 CG1 VAL A 93 38.971 8.304 5.010 1.00 20.31 C ATOM 1526 CG2 VAL A 93 37.229 9.165 3.429 1.00 22.41 C ATOM 0 H VAL A 93 37.549 10.817 6.775 1.00 34.22 H new ATOM 0 HA VAL A 93 35.768 9.204 5.441 1.00 0.33 H new ATOM 0 HB VAL A 93 38.237 10.301 4.924 1.00 62.23 H new ATOM 0 HG11 VAL A 93 39.725 8.465 4.240 1.00 20.31 H new ATOM 0 HG12 VAL A 93 39.419 8.449 5.993 1.00 20.31 H new ATOM 0 HG13 VAL A 93 38.586 7.287 4.934 1.00 20.31 H new ATOM 0 HG21 VAL A 93 38.007 9.313 2.680 1.00 22.41 H new ATOM 0 HG22 VAL A 93 36.796 8.172 3.311 1.00 22.41 H new ATOM 0 HG23 VAL A 93 36.451 9.917 3.298 1.00 22.41 H new ATOM 1536 N GLU A 94 37.682 7.544 7.518 1.00 0.14 N ATOM 1537 CA GLU A 94 37.891 6.250 8.157 1.00 75.21 C ATOM 1538 C GLU A 94 36.599 5.741 8.790 1.00 13.11 C ATOM 1539 O GLU A 94 36.317 4.543 8.774 1.00 71.23 O ATOM 1540 CB GLU A 94 38.987 6.351 9.220 1.00 52.15 C ATOM 1541 CG GLU A 94 40.365 6.637 8.647 1.00 52.50 C ATOM 1542 CD GLU A 94 41.153 5.373 8.362 1.00 14.44 C ATOM 1543 OE1 GLU A 94 40.780 4.640 7.423 1.00 50.31 O ATOM 1544 OE2 GLU A 94 42.142 5.118 9.080 1.00 64.10 O ATOM 0 H GLU A 94 38.198 8.313 7.944 1.00 0.14 H new ATOM 0 HA GLU A 94 38.204 5.542 7.390 1.00 75.21 H new ATOM 0 HB2 GLU A 94 38.725 7.139 9.926 1.00 52.15 H new ATOM 0 HB3 GLU A 94 39.023 5.418 9.783 1.00 52.15 H new ATOM 0 HG2 GLU A 94 40.259 7.210 7.726 1.00 52.50 H new ATOM 0 HG3 GLU A 94 40.923 7.259 9.347 1.00 52.50 H new ATOM 1551 N ARG A 95 35.818 6.661 9.348 1.00 60.31 N ATOM 1552 CA ARG A 95 34.557 6.306 9.988 1.00 2.13 C ATOM 1553 C ARG A 95 33.529 5.859 8.954 1.00 54.55 C ATOM 1554 O ARG A 95 32.696 4.993 9.224 1.00 61.32 O ATOM 1555 CB ARG A 95 34.013 7.494 10.784 1.00 21.23 C ATOM 1556 CG ARG A 95 32.644 7.242 11.394 1.00 53.40 C ATOM 1557 CD ARG A 95 32.678 6.089 12.385 1.00 42.24 C ATOM 1558 NE ARG A 95 33.577 6.356 13.504 1.00 24.10 N ATOM 1559 CZ ARG A 95 34.079 5.407 14.286 1.00 21.40 C ATOM 1560 NH1 ARG A 95 33.771 4.135 14.071 1.00 23.14 N ATOM 1561 NH2 ARG A 95 34.891 5.728 15.285 1.00 50.40 N ATOM 0 H ARG A 95 36.036 7.657 9.370 1.00 60.31 H new ATOM 0 HA ARG A 95 34.745 5.476 10.669 1.00 2.13 H new ATOM 0 HB2 ARG A 95 34.716 7.740 11.580 1.00 21.23 H new ATOM 0 HB3 ARG A 95 33.955 8.364 10.129 1.00 21.23 H new ATOM 0 HG2 ARG A 95 32.297 8.145 11.897 1.00 53.40 H new ATOM 0 HG3 ARG A 95 31.927 7.022 10.603 1.00 53.40 H new ATOM 0 HD2 ARG A 95 31.672 5.907 12.764 1.00 42.24 H new ATOM 0 HD3 ARG A 95 32.996 5.180 11.873 1.00 42.24 H new ATOM 0 HE ARG A 95 33.834 7.324 13.696 1.00 24.10 H new ATOM 0 HH11 ARG A 95 33.147 3.884 13.304 1.00 23.14 H new ATOM 0 HH12 ARG A 95 34.158 3.408 14.673 1.00 23.14 H new ATOM 0 HH21 ARG A 95 35.131 6.705 15.454 1.00 50.40 H new ATOM 0 HH22 ARG A 95 35.275 4.998 15.884 1.00 50.40 H new ATOM 1575 N LEU A 96 33.591 6.457 7.769 1.00 64.13 N ATOM 1576 CA LEU A 96 32.665 6.121 6.693 1.00 42.44 C ATOM 1577 C LEU A 96 32.956 4.731 6.137 1.00 24.13 C ATOM 1578 O LEU A 96 32.043 4.004 5.749 1.00 52.12 O ATOM 1579 CB LEU A 96 32.756 7.160 5.573 1.00 60.52 C ATOM 1580 CG LEU A 96 31.896 8.412 5.747 1.00 21.21 C ATOM 1581 CD1 LEU A 96 30.420 8.046 5.777 1.00 62.11 C ATOM 1582 CD2 LEU A 96 32.289 9.156 7.015 1.00 14.10 C ATOM 0 H LEU A 96 34.273 7.177 7.529 1.00 64.13 H new ATOM 0 HA LEU A 96 31.655 6.124 7.103 1.00 42.44 H new ATOM 0 HB2 LEU A 96 33.797 7.469 5.475 1.00 60.52 H new ATOM 0 HB3 LEU A 96 32.477 6.679 4.635 1.00 60.52 H new ATOM 0 HG LEU A 96 32.068 9.070 4.895 1.00 21.21 H new ATOM 0 HD11 LEU A 96 29.823 8.950 5.901 1.00 62.11 H new ATOM 0 HD12 LEU A 96 30.147 7.557 4.842 1.00 62.11 H new ATOM 0 HD13 LEU A 96 30.230 7.368 6.609 1.00 62.11 H new ATOM 0 HD21 LEU A 96 31.667 10.044 7.123 1.00 14.10 H new ATOM 0 HD22 LEU A 96 32.146 8.505 7.878 1.00 14.10 H new ATOM 0 HD23 LEU A 96 33.336 9.452 6.954 1.00 14.10 H new ATOM 1594 N GLU A 97 34.235 4.368 6.105 1.00 32.34 N ATOM 1595 CA GLU A 97 34.645 3.063 5.599 1.00 42.30 C ATOM 1596 C GLU A 97 34.196 1.949 6.539 1.00 22.35 C ATOM 1597 O GLU A 97 33.829 0.859 6.098 1.00 1.50 O ATOM 1598 CB GLU A 97 36.164 3.015 5.422 1.00 43.21 C ATOM 1599 CG GLU A 97 36.607 2.318 4.146 1.00 34.25 C ATOM 1600 CD GLU A 97 37.946 2.819 3.642 1.00 53.23 C ATOM 1601 OE1 GLU A 97 38.672 3.464 4.426 1.00 42.41 O ATOM 1602 OE2 GLU A 97 38.267 2.566 2.462 1.00 71.33 O ATOM 0 H GLU A 97 35.004 4.958 6.423 1.00 32.34 H new ATOM 0 HA GLU A 97 34.168 2.911 4.631 1.00 42.30 H new ATOM 0 HB2 GLU A 97 36.554 4.033 5.424 1.00 43.21 H new ATOM 0 HB3 GLU A 97 36.605 2.503 6.277 1.00 43.21 H new ATOM 0 HG2 GLU A 97 36.669 1.245 4.326 1.00 34.25 H new ATOM 0 HG3 GLU A 97 35.853 2.469 3.374 1.00 34.25 H new ATOM 1609 N TYR A 98 34.229 2.229 7.837 1.00 0.04 N ATOM 1610 CA TYR A 98 33.829 1.250 8.841 1.00 13.11 C ATOM 1611 C TYR A 98 32.318 1.040 8.825 1.00 14.32 C ATOM 1612 O TYR A 98 31.830 -0.072 9.032 1.00 42.35 O ATOM 1613 CB TYR A 98 34.277 1.702 10.232 1.00 65.21 C ATOM 1614 CG TYR A 98 33.805 0.794 11.345 1.00 13.52 C ATOM 1615 CD1 TYR A 98 32.555 0.969 11.927 1.00 51.42 C ATOM 1616 CD2 TYR A 98 34.608 -0.237 11.816 1.00 13.10 C ATOM 1617 CE1 TYR A 98 32.119 0.143 12.945 1.00 52.43 C ATOM 1618 CE2 TYR A 98 34.179 -1.069 12.832 1.00 2.44 C ATOM 1619 CZ TYR A 98 32.934 -0.874 13.394 1.00 63.44 C ATOM 1620 OH TYR A 98 32.505 -1.700 14.407 1.00 15.12 O ATOM 0 H TYR A 98 34.529 3.126 8.219 1.00 0.04 H new ATOM 0 HA TYR A 98 34.312 0.303 8.601 1.00 13.11 H new ATOM 0 HB2 TYR A 98 35.365 1.755 10.255 1.00 65.21 H new ATOM 0 HB3 TYR A 98 33.905 2.710 10.415 1.00 65.21 H new ATOM 0 HD1 TYR A 98 31.913 1.764 11.577 1.00 51.42 H new ATOM 0 HD2 TYR A 98 35.584 -0.391 11.381 1.00 13.10 H new ATOM 0 HE1 TYR A 98 31.145 0.293 13.387 1.00 52.43 H new ATOM 0 HE2 TYR A 98 34.815 -1.868 13.184 1.00 2.44 H new ATOM 0 HH TYR A 98 33.198 -2.364 14.603 1.00 15.12 H new ATOM 1630 N THR A 99 31.580 2.118 8.578 1.00 54.11 N ATOM 1631 CA THR A 99 30.124 2.054 8.535 1.00 2.50 C ATOM 1632 C THR A 99 29.645 1.212 7.358 1.00 22.04 C ATOM 1633 O THR A 99 28.773 0.355 7.509 1.00 0.32 O ATOM 1634 CB THR A 99 29.503 3.460 8.432 1.00 42.33 C ATOM 1635 OG1 THR A 99 30.385 4.334 7.719 1.00 44.34 O ATOM 1636 CG2 THR A 99 29.223 4.031 9.814 1.00 44.23 C ATOM 0 H THR A 99 31.967 3.046 8.405 1.00 54.11 H new ATOM 0 HA THR A 99 29.800 1.589 9.466 1.00 2.50 H new ATOM 0 HB THR A 99 28.559 3.377 7.893 1.00 42.33 H new ATOM 0 HG1 THR A 99 30.650 3.914 6.874 1.00 44.34 H new ATOM 0 HG21 THR A 99 28.785 5.024 9.715 1.00 44.23 H new ATOM 0 HG22 THR A 99 28.528 3.379 10.343 1.00 44.23 H new ATOM 0 HG23 THR A 99 30.155 4.100 10.375 1.00 44.23 H new ATOM 1644 N LEU A 100 30.220 1.459 6.187 1.00 43.42 N ATOM 1645 CA LEU A 100 29.852 0.722 4.983 1.00 43.21 C ATOM 1646 C LEU A 100 30.344 -0.720 5.056 1.00 53.11 C ATOM 1647 O LEU A 100 29.685 -1.636 4.563 1.00 24.12 O ATOM 1648 CB LEU A 100 30.431 1.408 3.744 1.00 10.22 C ATOM 1649 CG LEU A 100 31.884 1.072 3.408 1.00 4.12 C ATOM 1650 CD1 LEU A 100 31.956 -0.161 2.521 1.00 32.23 C ATOM 1651 CD2 LEU A 100 32.563 2.256 2.735 1.00 64.33 C ATOM 0 H LEU A 100 30.943 2.164 6.045 1.00 43.42 H new ATOM 0 HA LEU A 100 28.764 0.713 4.911 1.00 43.21 H new ATOM 0 HB2 LEU A 100 29.811 1.147 2.886 1.00 10.22 H new ATOM 0 HB3 LEU A 100 30.351 2.487 3.880 1.00 10.22 H new ATOM 0 HG LEU A 100 32.411 0.856 4.337 1.00 4.12 H new ATOM 0 HD11 LEU A 100 32.998 -0.384 2.293 1.00 32.23 H new ATOM 0 HD12 LEU A 100 31.508 -1.009 3.039 1.00 32.23 H new ATOM 0 HD13 LEU A 100 31.413 0.025 1.594 1.00 32.23 H new ATOM 0 HD21 LEU A 100 33.597 1.999 2.503 1.00 64.33 H new ATOM 0 HD22 LEU A 100 32.035 2.503 1.814 1.00 64.33 H new ATOM 0 HD23 LEU A 100 32.545 3.115 3.405 1.00 64.33 H new ATOM 1663 N ARG A 101 31.503 -0.914 5.676 1.00 44.24 N ATOM 1664 CA ARG A 101 32.082 -2.245 5.814 1.00 4.41 C ATOM 1665 C ARG A 101 31.225 -3.119 6.724 1.00 15.32 C ATOM 1666 O ARG A 101 30.892 -4.252 6.378 1.00 13.41 O ATOM 1667 CB ARG A 101 33.504 -2.150 6.372 1.00 72.01 C ATOM 1668 CG ARG A 101 34.578 -2.111 5.298 1.00 63.05 C ATOM 1669 CD ARG A 101 34.622 -3.409 4.506 1.00 3.04 C ATOM 1670 NE ARG A 101 34.726 -4.577 5.377 1.00 64.24 N ATOM 1671 CZ ARG A 101 34.629 -5.829 4.942 1.00 43.53 C ATOM 1672 NH1 ARG A 101 34.427 -6.073 3.654 1.00 4.43 N ATOM 1673 NH2 ARG A 101 34.735 -6.839 5.795 1.00 13.13 N ATOM 0 H ARG A 101 32.060 -0.167 6.091 1.00 44.24 H new ATOM 0 HA ARG A 101 32.116 -2.703 4.826 1.00 4.41 H new ATOM 0 HB2 ARG A 101 33.585 -1.254 6.987 1.00 72.01 H new ATOM 0 HB3 ARG A 101 33.687 -3.003 7.026 1.00 72.01 H new ATOM 0 HG2 ARG A 101 34.388 -1.277 4.622 1.00 63.05 H new ATOM 0 HG3 ARG A 101 35.549 -1.932 5.759 1.00 63.05 H new ATOM 0 HD2 ARG A 101 33.723 -3.491 3.894 1.00 3.04 H new ATOM 0 HD3 ARG A 101 35.471 -3.389 3.823 1.00 3.04 H new ATOM 0 HE ARG A 101 34.882 -4.423 6.373 1.00 64.24 H new ATOM 0 HH11 ARG A 101 34.346 -5.299 2.995 1.00 4.43 H new ATOM 0 HH12 ARG A 101 34.353 -7.035 3.323 1.00 4.43 H new ATOM 0 HH21 ARG A 101 34.891 -6.655 6.786 1.00 13.13 H new ATOM 0 HH22 ARG A 101 34.660 -7.799 5.460 1.00 13.13 H new ATOM 1687 N GLU A 102 30.871 -2.584 7.889 1.00 42.32 N ATOM 1688 CA GLU A 102 30.054 -3.316 8.848 1.00 35.35 C ATOM 1689 C GLU A 102 28.606 -3.407 8.373 1.00 3.41 C ATOM 1690 O GLU A 102 27.892 -4.354 8.700 1.00 73.41 O ATOM 1691 CB GLU A 102 30.110 -2.641 10.220 1.00 20.25 C ATOM 1692 CG GLU A 102 31.337 -3.018 11.034 1.00 51.41 C ATOM 1693 CD GLU A 102 31.433 -4.509 11.289 1.00 60.34 C ATOM 1694 OE1 GLU A 102 31.989 -5.224 10.429 1.00 44.10 O ATOM 1695 OE2 GLU A 102 30.951 -4.962 12.348 1.00 5.24 O ATOM 0 H GLU A 102 31.138 -1.647 8.190 1.00 42.32 H new ATOM 0 HA GLU A 102 30.455 -4.326 8.931 1.00 35.35 H new ATOM 0 HB2 GLU A 102 30.092 -1.560 10.085 1.00 20.25 H new ATOM 0 HB3 GLU A 102 29.215 -2.906 10.783 1.00 20.25 H new ATOM 0 HG2 GLU A 102 32.233 -2.685 10.510 1.00 51.41 H new ATOM 0 HG3 GLU A 102 31.311 -2.491 11.988 1.00 51.41 H new ATOM 1702 N PHE A 103 28.181 -2.413 7.600 1.00 74.11 N ATOM 1703 CA PHE A 103 26.819 -2.378 7.080 1.00 35.53 C ATOM 1704 C PHE A 103 26.516 -3.631 6.263 1.00 21.34 C ATOM 1705 O PHE A 103 25.418 -4.185 6.338 1.00 45.32 O ATOM 1706 CB PHE A 103 26.610 -1.131 6.218 1.00 24.44 C ATOM 1707 CG PHE A 103 25.630 -1.333 5.099 1.00 70.54 C ATOM 1708 CD1 PHE A 103 24.277 -1.105 5.295 1.00 65.22 C ATOM 1709 CD2 PHE A 103 26.061 -1.751 3.850 1.00 71.02 C ATOM 1710 CE1 PHE A 103 23.373 -1.291 4.266 1.00 22.23 C ATOM 1711 CE2 PHE A 103 25.161 -1.938 2.817 1.00 22.32 C ATOM 1712 CZ PHE A 103 23.816 -1.707 3.026 1.00 53.04 C ATOM 0 H PHE A 103 28.760 -1.621 7.320 1.00 74.11 H new ATOM 0 HA PHE A 103 26.135 -2.344 7.928 1.00 35.53 H new ATOM 0 HB2 PHE A 103 26.262 -0.315 6.852 1.00 24.44 H new ATOM 0 HB3 PHE A 103 27.568 -0.824 5.800 1.00 24.44 H new ATOM 0 HD1 PHE A 103 23.925 -0.778 6.262 1.00 65.22 H new ATOM 0 HD2 PHE A 103 27.112 -1.933 3.681 1.00 71.02 H new ATOM 0 HE1 PHE A 103 22.321 -1.111 4.432 1.00 22.23 H new ATOM 0 HE2 PHE A 103 25.510 -2.264 1.848 1.00 22.32 H new ATOM 0 HZ PHE A 103 23.111 -1.851 2.221 1.00 53.04 H new ATOM 1722 N HIS A 104 27.497 -4.073 5.483 1.00 25.02 N ATOM 1723 CA HIS A 104 27.337 -5.261 4.652 1.00 43.44 C ATOM 1724 C HIS A 104 27.256 -6.519 5.511 1.00 54.40 C ATOM 1725 O HIS A 104 26.569 -7.478 5.159 1.00 3.54 O ATOM 1726 CB HIS A 104 28.499 -5.378 3.664 1.00 33.02 C ATOM 1727 CG HIS A 104 28.557 -6.700 2.962 1.00 11.23 C ATOM 1728 ND1 HIS A 104 27.956 -7.126 1.827 1.00 44.24 N flip ATOM 1729 CD2 HIS A 104 29.301 -7.765 3.424 1.00 70.51 C flip ATOM 1730 CE1 HIS A 104 28.345 -8.428 1.624 1.00 44.25 C flip ATOM 1731 NE2 HIS A 104 29.157 -8.789 2.602 1.00 3.34 N flip ATOM 0 H HIS A 104 28.411 -3.627 5.409 1.00 25.02 H new ATOM 0 HA HIS A 104 26.405 -5.162 4.096 1.00 43.44 H new ATOM 0 HB2 HIS A 104 28.415 -4.585 2.921 1.00 33.02 H new ATOM 0 HB3 HIS A 104 29.436 -5.217 4.197 1.00 33.02 H new ATOM 0 HD2 HIS A 104 29.907 -7.762 4.318 1.00 70.51 H new ATOM 0 HE1 HIS A 104 28.037 -9.054 0.800 1.00 44.25 H new ATOM 0 HE2 HIS A 104 29.598 -9.703 2.705 1.00 3.34 H new ATOM 1739 N GLU A 105 27.961 -6.507 6.638 1.00 51.32 N ATOM 1740 CA GLU A 105 27.968 -7.648 7.546 1.00 44.15 C ATOM 1741 C GLU A 105 26.581 -7.882 8.137 1.00 43.02 C ATOM 1742 O GLU A 105 26.084 -9.008 8.158 1.00 25.31 O ATOM 1743 CB GLU A 105 28.983 -7.427 8.669 1.00 23.33 C ATOM 1744 CG GLU A 105 30.256 -8.241 8.508 1.00 22.12 C ATOM 1745 CD GLU A 105 30.857 -8.653 9.838 1.00 64.00 C ATOM 1746 OE1 GLU A 105 30.118 -9.206 10.678 1.00 13.35 O ATOM 1747 OE2 GLU A 105 32.069 -8.423 10.037 1.00 14.55 O ATOM 0 H GLU A 105 28.534 -5.721 6.944 1.00 51.32 H new ATOM 0 HA GLU A 105 28.254 -8.532 6.976 1.00 44.15 H new ATOM 0 HB2 GLU A 105 29.241 -6.369 8.711 1.00 23.33 H new ATOM 0 HB3 GLU A 105 28.518 -7.680 9.622 1.00 23.33 H new ATOM 0 HG2 GLU A 105 30.041 -9.133 7.919 1.00 22.12 H new ATOM 0 HG3 GLU A 105 30.987 -7.658 7.948 1.00 22.12 H new ATOM 1754 N LYS A 106 25.961 -6.810 8.617 1.00 12.31 N ATOM 1755 CA LYS A 106 24.631 -6.896 9.209 1.00 52.53 C ATOM 1756 C LYS A 106 23.581 -7.202 8.145 1.00 22.23 C ATOM 1757 O LYS A 106 22.589 -7.881 8.415 1.00 1.31 O ATOM 1758 CB LYS A 106 24.282 -5.587 9.922 1.00 22.43 C ATOM 1759 CG LYS A 106 24.368 -4.364 9.026 1.00 22.12 C ATOM 1760 CD LYS A 106 23.584 -3.196 9.600 1.00 35.20 C ATOM 1761 CE LYS A 106 23.334 -2.123 8.551 1.00 30.32 C ATOM 1762 NZ LYS A 106 22.591 -2.658 7.377 1.00 71.14 N ATOM 0 H LYS A 106 26.358 -5.871 8.608 1.00 12.31 H new ATOM 0 HA LYS A 106 24.636 -7.709 9.935 1.00 52.53 H new ATOM 0 HB2 LYS A 106 23.272 -5.661 10.325 1.00 22.43 H new ATOM 0 HB3 LYS A 106 24.955 -5.454 10.769 1.00 22.43 H new ATOM 0 HG2 LYS A 106 25.412 -4.076 8.901 1.00 22.12 H new ATOM 0 HG3 LYS A 106 23.984 -4.610 8.036 1.00 22.12 H new ATOM 0 HD2 LYS A 106 22.631 -3.553 9.991 1.00 35.20 H new ATOM 0 HD3 LYS A 106 24.132 -2.766 10.439 1.00 35.20 H new ATOM 0 HE2 LYS A 106 22.769 -1.304 8.996 1.00 30.32 H new ATOM 0 HE3 LYS A 106 24.287 -1.709 8.220 1.00 30.32 H new ATOM 0 HZ1 LYS A 106 23.110 -2.430 6.505 1.00 71.14 H new ATOM 0 HZ2 LYS A 106 22.499 -3.690 7.466 1.00 71.14 H new ATOM 0 HZ3 LYS A 106 21.645 -2.228 7.339 1.00 71.14 H new ATOM 1776 N LEU A 107 23.806 -6.700 6.936 1.00 3.03 N ATOM 1777 CA LEU A 107 22.880 -6.922 5.831 1.00 3.30 C ATOM 1778 C LEU A 107 22.832 -8.398 5.449 1.00 11.40 C ATOM 1779 O LEU A 107 21.780 -8.919 5.080 1.00 74.30 O ATOM 1780 CB LEU A 107 23.291 -6.083 4.620 1.00 52.24 C ATOM 1781 CG LEU A 107 22.175 -5.279 3.951 1.00 63.04 C ATOM 1782 CD1 LEU A 107 21.130 -6.210 3.355 1.00 1.33 C ATOM 1783 CD2 LEU A 107 21.535 -4.323 4.947 1.00 64.20 C ATOM 0 H LEU A 107 24.622 -6.136 6.696 1.00 3.03 H new ATOM 0 HA LEU A 107 21.885 -6.618 6.156 1.00 3.30 H new ATOM 0 HB2 LEU A 107 24.074 -5.391 4.931 1.00 52.24 H new ATOM 0 HB3 LEU A 107 23.730 -6.747 3.875 1.00 52.24 H new ATOM 0 HG LEU A 107 22.611 -4.691 3.143 1.00 63.04 H new ATOM 0 HD11 LEU A 107 20.344 -5.620 2.883 1.00 1.33 H new ATOM 0 HD12 LEU A 107 21.598 -6.853 2.610 1.00 1.33 H new ATOM 0 HD13 LEU A 107 20.698 -6.825 4.144 1.00 1.33 H new ATOM 0 HD21 LEU A 107 20.743 -3.759 4.453 1.00 64.20 H new ATOM 0 HD22 LEU A 107 21.113 -4.890 5.777 1.00 64.20 H new ATOM 0 HD23 LEU A 107 22.289 -3.633 5.326 1.00 64.20 H new ATOM 1795 N ARG A 108 23.977 -9.066 5.542 1.00 1.52 N ATOM 1796 CA ARG A 108 24.065 -10.482 5.207 1.00 0.33 C ATOM 1797 C ARG A 108 23.116 -11.305 6.073 1.00 22.14 C ATOM 1798 O ARG A 108 22.431 -12.202 5.582 1.00 63.15 O ATOM 1799 CB ARG A 108 25.500 -10.982 5.386 1.00 14.22 C ATOM 1800 CG ARG A 108 26.054 -11.693 4.163 1.00 73.24 C ATOM 1801 CD ARG A 108 25.900 -13.202 4.278 1.00 1.31 C ATOM 1802 NE ARG A 108 26.961 -13.916 3.573 1.00 3.41 N ATOM 1803 CZ ARG A 108 28.231 -13.917 3.963 1.00 1.23 C ATOM 1804 NH1 ARG A 108 28.596 -13.246 5.047 1.00 14.13 N ATOM 1805 NH2 ARG A 108 29.139 -14.591 3.269 1.00 2.41 N ATOM 0 H ARG A 108 24.857 -8.649 5.847 1.00 1.52 H new ATOM 0 HA ARG A 108 23.773 -10.602 4.164 1.00 0.33 H new ATOM 0 HB2 ARG A 108 26.143 -10.136 5.626 1.00 14.22 H new ATOM 0 HB3 ARG A 108 25.536 -11.661 6.238 1.00 14.22 H new ATOM 0 HG2 ARG A 108 25.537 -11.340 3.271 1.00 73.24 H new ATOM 0 HG3 ARG A 108 27.108 -11.442 4.041 1.00 73.24 H new ATOM 0 HD2 ARG A 108 25.908 -13.488 5.330 1.00 1.31 H new ATOM 0 HD3 ARG A 108 24.932 -13.499 3.874 1.00 1.31 H new ATOM 0 HE ARG A 108 26.713 -14.443 2.735 1.00 3.41 H new ATOM 0 HH11 ARG A 108 27.901 -12.727 5.584 1.00 14.13 H new ATOM 0 HH12 ARG A 108 29.572 -13.249 5.344 1.00 14.13 H new ATOM 0 HH21 ARG A 108 28.862 -15.109 2.435 1.00 2.41 H new ATOM 0 HH22 ARG A 108 30.114 -14.591 3.569 1.00 2.41 H new ATOM 1819 N ASP A 109 23.082 -10.994 7.365 1.00 62.35 N ATOM 1820 CA ASP A 109 22.217 -11.705 8.299 1.00 4.34 C ATOM 1821 C ASP A 109 20.747 -11.467 7.968 1.00 64.32 C ATOM 1822 O ASP A 109 19.941 -12.399 7.970 1.00 42.42 O ATOM 1823 CB ASP A 109 22.508 -11.261 9.734 1.00 54.40 C ATOM 1824 CG ASP A 109 22.106 -12.306 10.756 1.00 24.00 C ATOM 1825 OD1 ASP A 109 22.208 -13.511 10.443 1.00 11.52 O ATOM 1826 OD2 ASP A 109 21.690 -11.920 11.869 1.00 42.35 O ATOM 0 H ASP A 109 23.643 -10.255 7.788 1.00 62.35 H new ATOM 0 HA ASP A 109 22.423 -12.771 8.207 1.00 4.34 H new ATOM 0 HB2 ASP A 109 23.572 -11.047 9.836 1.00 54.40 H new ATOM 0 HB3 ASP A 109 21.975 -10.333 9.939 1.00 54.40 H new ATOM 1831 N LEU A 110 20.405 -10.215 7.684 1.00 20.53 N ATOM 1832 CA LEU A 110 19.031 -9.855 7.351 1.00 3.34 C ATOM 1833 C LEU A 110 18.541 -10.638 6.138 1.00 64.12 C ATOM 1834 O LEU A 110 17.475 -11.254 6.172 1.00 24.31 O ATOM 1835 CB LEU A 110 18.929 -8.353 7.079 1.00 64.05 C ATOM 1836 CG LEU A 110 17.583 -7.857 6.549 1.00 3.24 C ATOM 1837 CD1 LEU A 110 16.617 -7.608 7.697 1.00 24.13 C ATOM 1838 CD2 LEU A 110 17.768 -6.593 5.722 1.00 5.14 C ATOM 0 H LEU A 110 21.060 -9.433 7.678 1.00 20.53 H new ATOM 0 HA LEU A 110 18.399 -10.108 8.202 1.00 3.34 H new ATOM 0 HB2 LEU A 110 19.151 -7.821 8.004 1.00 64.05 H new ATOM 0 HB3 LEU A 110 19.702 -8.081 6.361 1.00 64.05 H new ATOM 0 HG LEU A 110 17.161 -8.629 5.906 1.00 3.24 H new ATOM 0 HD11 LEU A 110 15.665 -7.256 7.301 1.00 24.13 H new ATOM 0 HD12 LEU A 110 16.460 -8.535 8.248 1.00 24.13 H new ATOM 0 HD13 LEU A 110 17.033 -6.854 8.366 1.00 24.13 H new ATOM 0 HD21 LEU A 110 16.800 -6.255 5.353 1.00 5.14 H new ATOM 0 HD22 LEU A 110 18.212 -5.814 6.342 1.00 5.14 H new ATOM 0 HD23 LEU A 110 18.425 -6.803 4.878 1.00 5.14 H new ATOM 1850 N LEU A 111 19.327 -10.612 5.067 1.00 51.11 N ATOM 1851 CA LEU A 111 18.975 -11.322 3.842 1.00 14.30 C ATOM 1852 C LEU A 111 18.877 -12.823 4.092 1.00 65.34 C ATOM 1853 O LEU A 111 18.080 -13.517 3.460 1.00 14.13 O ATOM 1854 CB LEU A 111 20.009 -11.040 2.751 1.00 70.43 C ATOM 1855 CG LEU A 111 20.076 -9.599 2.245 1.00 4.24 C ATOM 1856 CD1 LEU A 111 21.105 -9.471 1.133 1.00 42.23 C ATOM 1857 CD2 LEU A 111 18.708 -9.138 1.765 1.00 41.41 C ATOM 0 H LEU A 111 20.212 -10.107 5.022 1.00 51.11 H new ATOM 0 HA LEU A 111 18.000 -10.964 3.510 1.00 14.30 H new ATOM 0 HB2 LEU A 111 20.993 -11.316 3.131 1.00 70.43 H new ATOM 0 HB3 LEU A 111 19.800 -11.692 1.903 1.00 70.43 H new ATOM 0 HG LEU A 111 20.383 -8.958 3.071 1.00 4.24 H new ATOM 0 HD11 LEU A 111 21.139 -8.438 0.785 1.00 42.23 H new ATOM 0 HD12 LEU A 111 22.086 -9.759 1.510 1.00 42.23 H new ATOM 0 HD13 LEU A 111 20.829 -10.124 0.305 1.00 42.23 H new ATOM 0 HD21 LEU A 111 18.775 -8.110 1.408 1.00 41.41 H new ATOM 0 HD22 LEU A 111 18.371 -9.783 0.953 1.00 41.41 H new ATOM 0 HD23 LEU A 111 17.997 -9.191 2.589 1.00 41.41 H new ATOM 1869 N ILE A 112 19.693 -13.318 5.017 1.00 52.02 N ATOM 1870 CA ILE A 112 19.696 -14.737 5.352 1.00 50.50 C ATOM 1871 C ILE A 112 18.419 -15.131 6.087 1.00 4.40 C ATOM 1872 O ILE A 112 17.957 -16.267 5.984 1.00 4.14 O ATOM 1873 CB ILE A 112 20.911 -15.107 6.223 1.00 43.45 C ATOM 1874 CG1 ILE A 112 22.193 -15.078 5.387 1.00 75.44 C ATOM 1875 CG2 ILE A 112 20.714 -16.477 6.853 1.00 73.12 C ATOM 1876 CD1 ILE A 112 23.445 -14.861 6.207 1.00 54.51 C ATOM 0 H ILE A 112 20.360 -12.758 5.547 1.00 52.02 H new ATOM 0 HA ILE A 112 19.754 -15.283 4.411 1.00 50.50 H new ATOM 0 HB ILE A 112 21.004 -14.372 7.022 1.00 43.45 H new ATOM 0 HG12 ILE A 112 22.283 -16.018 4.843 1.00 75.44 H new ATOM 0 HG13 ILE A 112 22.114 -14.285 4.643 1.00 75.44 H new ATOM 0 HG21 ILE A 112 21.581 -16.724 7.465 1.00 73.12 H new ATOM 0 HG22 ILE A 112 19.820 -16.465 7.477 1.00 73.12 H new ATOM 0 HG23 ILE A 112 20.599 -17.225 6.069 1.00 73.12 H new ATOM 0 HD11 ILE A 112 24.314 -14.852 5.549 1.00 54.51 H new ATOM 0 HD12 ILE A 112 23.376 -13.907 6.731 1.00 54.51 H new ATOM 0 HD13 ILE A 112 23.548 -15.667 6.933 1.00 54.51 H new ATOM 1888 N SER A 113 17.853 -14.183 6.827 1.00 31.14 N ATOM 1889 CA SER A 113 16.630 -14.431 7.582 1.00 71.52 C ATOM 1890 C SER A 113 15.429 -14.545 6.648 1.00 60.04 C ATOM 1891 O SER A 113 14.436 -15.195 6.972 1.00 31.31 O ATOM 1892 CB SER A 113 16.396 -13.312 8.598 1.00 50.23 C ATOM 1893 OG SER A 113 15.180 -13.505 9.299 1.00 30.51 O ATOM 0 H SER A 113 18.222 -13.236 6.920 1.00 31.14 H new ATOM 0 HA SER A 113 16.746 -15.375 8.114 1.00 71.52 H new ATOM 0 HB2 SER A 113 17.225 -13.279 9.305 1.00 50.23 H new ATOM 0 HB3 SER A 113 16.375 -12.350 8.086 1.00 50.23 H new ATOM 0 HG SER A 113 15.055 -12.777 9.943 1.00 30.51 H new ATOM 1899 N MET A 114 15.529 -13.907 5.486 1.00 74.10 N ATOM 1900 CA MET A 114 14.451 -13.937 4.503 1.00 25.03 C ATOM 1901 C MET A 114 14.769 -14.917 3.379 1.00 72.35 C ATOM 1902 O MET A 114 13.971 -15.101 2.460 1.00 13.51 O ATOM 1903 CB MET A 114 14.219 -12.539 3.927 1.00 62.11 C ATOM 1904 CG MET A 114 15.500 -11.829 3.520 1.00 2.11 C ATOM 1905 SD MET A 114 15.192 -10.345 2.544 1.00 14.40 S ATOM 1906 CE MET A 114 14.776 -9.172 3.833 1.00 72.32 C ATOM 0 H MET A 114 16.344 -13.364 5.202 1.00 74.10 H new ATOM 0 HA MET A 114 13.543 -14.270 5.005 1.00 25.03 H new ATOM 0 HB2 MET A 114 13.565 -12.617 3.059 1.00 62.11 H new ATOM 0 HB3 MET A 114 13.696 -11.932 4.667 1.00 62.11 H new ATOM 0 HG2 MET A 114 16.062 -11.561 4.415 1.00 2.11 H new ATOM 0 HG3 MET A 114 16.124 -12.514 2.946 1.00 2.11 H new ATOM 0 HE1 MET A 114 13.866 -8.637 3.559 1.00 72.32 H new ATOM 0 HE2 MET A 114 14.616 -9.704 4.771 1.00 72.32 H new ATOM 0 HE3 MET A 114 15.592 -8.460 3.954 1.00 72.32 H new ATOM 1916 N GLU A 115 15.939 -15.544 3.458 1.00 54.23 N ATOM 1917 CA GLU A 115 16.360 -16.504 2.445 1.00 62.22 C ATOM 1918 C GLU A 115 16.546 -15.822 1.092 1.00 23.14 C ATOM 1919 O GLU A 115 16.279 -16.412 0.045 1.00 71.04 O ATOM 1920 CB GLU A 115 15.335 -17.633 2.322 1.00 14.01 C ATOM 1921 CG GLU A 115 14.873 -18.184 3.661 1.00 53.22 C ATOM 1922 CD GLU A 115 14.064 -19.459 3.519 1.00 4.14 C ATOM 1923 OE1 GLU A 115 13.081 -19.456 2.750 1.00 31.52 O ATOM 1924 OE2 GLU A 115 14.416 -20.460 4.178 1.00 3.25 O ATOM 0 H GLU A 115 16.611 -15.404 4.212 1.00 54.23 H new ATOM 0 HA GLU A 115 17.317 -16.924 2.756 1.00 62.22 H new ATOM 0 HB2 GLU A 115 14.469 -17.267 1.771 1.00 14.01 H new ATOM 0 HB3 GLU A 115 15.768 -18.443 1.735 1.00 14.01 H new ATOM 0 HG2 GLU A 115 15.742 -18.378 4.289 1.00 53.22 H new ATOM 0 HG3 GLU A 115 14.272 -17.432 4.171 1.00 53.22 H new ATOM 1931 N LEU A 116 17.006 -14.576 1.123 1.00 32.13 N ATOM 1932 CA LEU A 116 17.228 -13.812 -0.099 1.00 53.14 C ATOM 1933 C LEU A 116 18.711 -13.769 -0.453 1.00 11.10 C ATOM 1934 O LEU A 116 19.555 -13.494 0.400 1.00 54.14 O ATOM 1935 CB LEU A 116 16.688 -12.389 0.060 1.00 62.42 C ATOM 1936 CG LEU A 116 15.237 -12.170 -0.369 1.00 31.11 C ATOM 1937 CD1 LEU A 116 15.090 -12.358 -1.871 1.00 11.51 C ATOM 1938 CD2 LEU A 116 14.310 -13.116 0.382 1.00 44.44 C ATOM 0 H LEU A 116 17.232 -14.074 1.981 1.00 32.13 H new ATOM 0 HA LEU A 116 16.694 -14.308 -0.910 1.00 53.14 H new ATOM 0 HB2 LEU A 116 16.784 -12.100 1.107 1.00 62.42 H new ATOM 0 HB3 LEU A 116 17.322 -11.715 -0.516 1.00 62.42 H new ATOM 0 HG LEU A 116 14.956 -11.146 -0.123 1.00 31.11 H new ATOM 0 HD11 LEU A 116 14.051 -12.198 -2.158 1.00 11.51 H new ATOM 0 HD12 LEU A 116 15.724 -11.640 -2.391 1.00 11.51 H new ATOM 0 HD13 LEU A 116 15.390 -13.370 -2.142 1.00 11.51 H new ATOM 0 HD21 LEU A 116 13.281 -12.946 0.064 1.00 44.44 H new ATOM 0 HD22 LEU A 116 14.591 -14.147 0.167 1.00 44.44 H new ATOM 0 HD23 LEU A 116 14.394 -12.933 1.453 1.00 44.44 H new ATOM 1950 N ALA A 117 19.021 -14.041 -1.716 1.00 52.55 N ATOM 1951 CA ALA A 117 20.401 -14.029 -2.184 1.00 4.41 C ATOM 1952 C ALA A 117 20.917 -12.602 -2.336 1.00 40.43 C ATOM 1953 O ALA A 117 20.135 -11.659 -2.469 1.00 4.10 O ATOM 1954 CB ALA A 117 20.518 -14.778 -3.503 1.00 5.11 C ATOM 0 H ALA A 117 18.334 -14.273 -2.434 1.00 52.55 H new ATOM 0 HA ALA A 117 21.016 -14.532 -1.438 1.00 4.41 H new ATOM 0 HB1 ALA A 117 21.554 -14.761 -3.841 1.00 5.11 H new ATOM 0 HB2 ALA A 117 20.199 -15.811 -3.364 1.00 5.11 H new ATOM 0 HB3 ALA A 117 19.885 -14.300 -4.250 1.00 5.11 H new ATOM 1960 N LEU A 118 22.236 -12.449 -2.316 1.00 25.11 N ATOM 1961 CA LEU A 118 22.857 -11.136 -2.451 1.00 41.13 C ATOM 1962 C LEU A 118 23.942 -11.154 -3.523 1.00 61.33 C ATOM 1963 O LEU A 118 24.729 -12.096 -3.606 1.00 61.55 O ATOM 1964 CB LEU A 118 23.453 -10.691 -1.114 1.00 75.14 C ATOM 1965 CG LEU A 118 23.878 -9.225 -1.023 1.00 75.04 C ATOM 1966 CD1 LEU A 118 22.718 -8.310 -1.383 1.00 54.34 C ATOM 1967 CD2 LEU A 118 24.398 -8.906 0.370 1.00 22.24 C ATOM 0 H LEU A 118 22.897 -13.218 -2.208 1.00 25.11 H new ATOM 0 HA LEU A 118 22.086 -10.427 -2.752 1.00 41.13 H new ATOM 0 HB2 LEU A 118 22.721 -10.886 -0.330 1.00 75.14 H new ATOM 0 HB3 LEU A 118 24.322 -11.314 -0.901 1.00 75.14 H new ATOM 0 HG LEU A 118 24.684 -9.055 -1.737 1.00 75.04 H new ATOM 0 HD11 LEU A 118 23.039 -7.271 -1.313 1.00 54.34 H new ATOM 0 HD12 LEU A 118 22.391 -8.521 -2.401 1.00 54.34 H new ATOM 0 HD13 LEU A 118 21.891 -8.482 -0.693 1.00 54.34 H new ATOM 0 HD21 LEU A 118 24.696 -7.858 0.416 1.00 22.24 H new ATOM 0 HD22 LEU A 118 23.613 -9.093 1.103 1.00 22.24 H new ATOM 0 HD23 LEU A 118 25.258 -9.538 0.591 1.00 22.24 H new ATOM 1979 N GLU A 119 23.978 -10.106 -4.340 1.00 2.33 N ATOM 1980 CA GLU A 119 24.968 -10.002 -5.405 1.00 41.22 C ATOM 1981 C GLU A 119 25.203 -8.544 -5.790 1.00 13.23 C ATOM 1982 O GLU A 119 24.386 -7.664 -5.515 1.00 5.02 O ATOM 1983 CB GLU A 119 24.516 -10.798 -6.631 1.00 53.43 C ATOM 1984 CG GLU A 119 24.943 -12.255 -6.603 1.00 22.45 C ATOM 1985 CD GLU A 119 24.949 -12.889 -7.980 1.00 50.02 C ATOM 1986 OE1 GLU A 119 24.361 -12.296 -8.909 1.00 24.31 O ATOM 1987 OE2 GLU A 119 25.542 -13.978 -8.129 1.00 71.10 O ATOM 0 H GLU A 119 23.333 -9.318 -4.285 1.00 2.33 H new ATOM 0 HA GLU A 119 25.906 -10.418 -5.036 1.00 41.22 H new ATOM 0 HB2 GLU A 119 23.430 -10.748 -6.706 1.00 53.43 H new ATOM 0 HB3 GLU A 119 24.919 -10.327 -7.528 1.00 53.43 H new ATOM 0 HG2 GLU A 119 25.940 -12.329 -6.169 1.00 22.45 H new ATOM 0 HG3 GLU A 119 24.270 -12.814 -5.953 1.00 22.45 H new ATOM 1994 N PRO A 120 26.345 -8.281 -6.441 1.00 4.51 N ATOM 1995 CA PRO A 120 26.715 -6.931 -6.877 1.00 51.33 C ATOM 1996 C PRO A 120 25.835 -6.429 -8.017 1.00 42.12 C ATOM 1997 O PRO A 120 25.041 -7.183 -8.579 1.00 50.03 O ATOM 1998 CB PRO A 120 28.161 -7.094 -7.350 1.00 64.54 C ATOM 1999 CG PRO A 120 28.274 -8.530 -7.734 1.00 43.52 C ATOM 2000 CD PRO A 120 27.364 -9.280 -6.802 1.00 25.33 C ATOM 0 HA PRO A 120 26.594 -6.198 -6.080 1.00 51.33 H new ATOM 0 HB2 PRO A 120 28.377 -6.440 -8.195 1.00 64.54 H new ATOM 0 HB3 PRO A 120 28.867 -6.839 -6.560 1.00 64.54 H new ATOM 0 HG2 PRO A 120 27.979 -8.681 -8.773 1.00 43.52 H new ATOM 0 HG3 PRO A 120 29.302 -8.879 -7.641 1.00 43.52 H new ATOM 0 HD2 PRO A 120 26.920 -10.149 -7.287 1.00 25.33 H new ATOM 0 HD3 PRO A 120 27.899 -9.643 -5.924 1.00 25.33 H new ATOM 2008 N SER A 121 25.982 -5.152 -8.354 1.00 3.50 N ATOM 2009 CA SER A 121 25.198 -4.548 -9.425 1.00 62.23 C ATOM 2010 C SER A 121 25.945 -4.624 -10.754 1.00 11.44 C ATOM 2011 O SER A 121 27.140 -4.335 -10.824 1.00 13.10 O ATOM 2012 CB SER A 121 24.875 -3.091 -9.091 1.00 1.31 C ATOM 2013 OG SER A 121 24.298 -2.979 -7.802 1.00 34.34 O ATOM 0 H SER A 121 26.637 -4.515 -7.901 1.00 3.50 H new ATOM 0 HA SER A 121 24.266 -5.106 -9.519 1.00 62.23 H new ATOM 0 HB2 SER A 121 25.785 -2.493 -9.138 1.00 1.31 H new ATOM 0 HB3 SER A 121 24.189 -2.687 -9.836 1.00 1.31 H new ATOM 0 HG SER A 121 23.697 -3.737 -7.646 1.00 34.34 H new ATOM 2019 N ASP A 122 25.232 -5.014 -11.804 1.00 51.54 N ATOM 2020 CA ASP A 122 25.825 -5.126 -13.132 1.00 22.43 C ATOM 2021 C ASP A 122 26.388 -3.785 -13.591 1.00 62.12 C ATOM 2022 O ASP A 122 27.274 -3.732 -14.445 1.00 14.00 O ATOM 2023 CB ASP A 122 24.787 -5.629 -14.137 1.00 25.15 C ATOM 2024 CG ASP A 122 23.664 -4.635 -14.354 1.00 73.24 C ATOM 2025 OD1 ASP A 122 23.069 -4.182 -13.353 1.00 64.15 O ATOM 2026 OD2 ASP A 122 23.379 -4.310 -15.526 1.00 11.43 O ATOM 0 H ASP A 122 24.243 -5.258 -11.762 1.00 51.54 H new ATOM 0 HA ASP A 122 26.644 -5.843 -13.078 1.00 22.43 H new ATOM 0 HB2 ASP A 122 25.277 -5.834 -15.089 1.00 25.15 H new ATOM 0 HB3 ASP A 122 24.370 -6.572 -13.784 1.00 25.15 H new ATOM 2031 N ASP A 123 25.868 -2.704 -13.020 1.00 62.32 N ATOM 2032 CA ASP A 123 26.319 -1.362 -13.371 1.00 33.41 C ATOM 2033 C ASP A 123 27.591 -1.001 -12.611 1.00 43.35 C ATOM 2034 O ASP A 123 28.225 0.017 -12.890 1.00 41.45 O ATOM 2035 CB ASP A 123 25.223 -0.339 -13.071 1.00 54.31 C ATOM 2036 CG ASP A 123 23.835 -0.872 -13.368 1.00 61.41 C ATOM 2037 OD1 ASP A 123 23.282 -1.595 -12.513 1.00 0.42 O ATOM 2038 OD2 ASP A 123 23.302 -0.569 -14.456 1.00 45.44 O ATOM 0 H ASP A 123 25.134 -2.731 -12.312 1.00 62.32 H new ATOM 0 HA ASP A 123 26.538 -1.346 -14.439 1.00 33.41 H new ATOM 0 HB2 ASP A 123 25.280 -0.047 -12.022 1.00 54.31 H new ATOM 0 HB3 ASP A 123 25.398 0.560 -13.662 1.00 54.31 H new ATOM 2043 N PHE A 124 27.959 -1.841 -11.650 1.00 2.55 N ATOM 2044 CA PHE A 124 29.155 -1.608 -10.848 1.00 21.30 C ATOM 2045 C PHE A 124 30.282 -2.548 -11.267 1.00 52.03 C ATOM 2046 O PHE A 124 30.036 -3.660 -11.732 1.00 60.12 O ATOM 2047 CB PHE A 124 28.844 -1.798 -9.362 1.00 73.40 C ATOM 2048 CG PHE A 124 28.455 -0.527 -8.664 1.00 14.23 C ATOM 2049 CD1 PHE A 124 27.196 0.022 -8.847 1.00 13.34 C ATOM 2050 CD2 PHE A 124 29.347 0.119 -7.824 1.00 5.02 C ATOM 2051 CE1 PHE A 124 26.836 1.193 -8.206 1.00 34.32 C ATOM 2052 CE2 PHE A 124 28.993 1.290 -7.180 1.00 32.41 C ATOM 2053 CZ PHE A 124 27.735 1.826 -7.370 1.00 53.45 C ATOM 0 H PHE A 124 27.447 -2.689 -11.407 1.00 2.55 H new ATOM 0 HA PHE A 124 29.480 -0.581 -11.016 1.00 21.30 H new ATOM 0 HB2 PHE A 124 28.036 -2.522 -9.258 1.00 73.40 H new ATOM 0 HB3 PHE A 124 29.718 -2.222 -8.867 1.00 73.40 H new ATOM 0 HD1 PHE A 124 26.488 -0.470 -9.497 1.00 13.34 H new ATOM 0 HD2 PHE A 124 30.332 -0.297 -7.670 1.00 5.02 H new ATOM 0 HE1 PHE A 124 25.853 1.612 -8.359 1.00 34.32 H new ATOM 0 HE2 PHE A 124 29.699 1.785 -6.530 1.00 32.41 H new ATOM 0 HZ PHE A 124 27.454 2.739 -6.866 1.00 53.45 H new ATOM 2063 N ASN A 125 31.519 -2.091 -11.100 1.00 34.14 N ATOM 2064 CA ASN A 125 32.684 -2.890 -11.461 1.00 40.45 C ATOM 2065 C ASN A 125 33.288 -3.559 -10.231 1.00 22.02 C ATOM 2066 O ASN A 125 32.750 -3.456 -9.128 1.00 71.13 O ATOM 2067 CB ASN A 125 33.735 -2.014 -12.147 1.00 70.33 C ATOM 2068 CG ASN A 125 33.301 -1.566 -13.530 1.00 1.15 C ATOM 2069 OD1 ASN A 125 32.362 -0.783 -13.674 1.00 1.10 O ATOM 2070 ND2 ASN A 125 33.985 -2.062 -14.554 1.00 71.11 N ATOM 0 H ASN A 125 31.740 -1.172 -10.717 1.00 34.14 H new ATOM 0 HA ASN A 125 32.360 -3.668 -12.153 1.00 40.45 H new ATOM 0 HB2 ASN A 125 33.933 -1.138 -11.530 1.00 70.33 H new ATOM 0 HB3 ASN A 125 34.671 -2.567 -12.224 1.00 70.33 H new ATOM 0 HD21 ASN A 125 33.739 -1.797 -15.508 1.00 71.11 H new ATOM 0 HD22 ASN A 125 34.756 -2.708 -14.387 1.00 71.11 H new ATOM 2077 N ASP A 126 34.409 -4.244 -10.427 1.00 43.03 N ATOM 2078 CA ASP A 126 35.088 -4.929 -9.334 1.00 24.24 C ATOM 2079 C ASP A 126 36.272 -4.109 -8.830 1.00 11.10 C ATOM 2080 O ASP A 126 37.415 -4.348 -9.219 1.00 34.02 O ATOM 2081 CB ASP A 126 35.565 -6.310 -9.786 1.00 72.23 C ATOM 2082 CG ASP A 126 34.415 -7.265 -10.040 1.00 52.01 C ATOM 2083 OD1 ASP A 126 33.249 -6.828 -9.944 1.00 75.33 O ATOM 2084 OD2 ASP A 126 34.681 -8.449 -10.335 1.00 41.43 O ATOM 0 H ASP A 126 34.867 -4.340 -11.333 1.00 43.03 H new ATOM 0 HA ASP A 126 34.377 -5.048 -8.517 1.00 24.24 H new ATOM 0 HB2 ASP A 126 36.156 -6.207 -10.696 1.00 72.23 H new ATOM 0 HB3 ASP A 126 36.222 -6.731 -9.025 1.00 72.23 H new ATOM 2089 N GLU A 127 35.989 -3.141 -7.964 1.00 12.11 N ATOM 2090 CA GLU A 127 37.031 -2.284 -7.409 1.00 75.52 C ATOM 2091 C GLU A 127 36.552 -1.606 -6.129 1.00 4.03 C ATOM 2092 O GLU A 127 36.350 -0.393 -6.077 1.00 43.43 O ATOM 2093 CB GLU A 127 37.452 -1.228 -8.433 1.00 14.24 C ATOM 2094 CG GLU A 127 38.768 -0.546 -8.098 1.00 34.34 C ATOM 2095 CD GLU A 127 39.164 0.495 -9.126 1.00 61.45 C ATOM 2096 OE1 GLU A 127 38.325 1.364 -9.444 1.00 21.31 O ATOM 2097 OE2 GLU A 127 40.312 0.440 -9.614 1.00 42.42 O ATOM 0 H GLU A 127 35.048 -2.931 -7.632 1.00 12.11 H new ATOM 0 HA GLU A 127 37.891 -2.909 -7.168 1.00 75.52 H new ATOM 0 HB2 GLU A 127 37.535 -1.697 -9.413 1.00 14.24 H new ATOM 0 HB3 GLU A 127 36.669 -0.473 -8.506 1.00 14.24 H new ATOM 0 HG2 GLU A 127 38.689 -0.073 -7.119 1.00 34.34 H new ATOM 0 HG3 GLU A 127 39.554 -1.297 -8.026 1.00 34.34 H new ATOM 2104 N PRO A 128 36.366 -2.407 -5.069 1.00 64.11 N ATOM 2105 CA PRO A 128 35.910 -1.907 -3.769 1.00 10.10 C ATOM 2106 C PRO A 128 36.969 -1.063 -3.068 1.00 41.33 C ATOM 2107 O PRO A 128 38.158 -1.165 -3.369 1.00 63.34 O ATOM 2108 CB PRO A 128 35.633 -3.186 -2.974 1.00 44.42 C ATOM 2109 CG PRO A 128 36.508 -4.217 -3.599 1.00 42.22 C ATOM 2110 CD PRO A 128 36.588 -3.863 -5.059 1.00 11.15 C ATOM 0 HA PRO A 128 35.044 -1.253 -3.866 1.00 10.10 H new ATOM 0 HB2 PRO A 128 35.868 -3.054 -1.918 1.00 44.42 H new ATOM 0 HB3 PRO A 128 34.582 -3.470 -3.034 1.00 44.42 H new ATOM 0 HG2 PRO A 128 37.498 -4.217 -3.143 1.00 42.22 H new ATOM 0 HG3 PRO A 128 36.094 -5.216 -3.462 1.00 42.22 H new ATOM 0 HD2 PRO A 128 37.557 -4.125 -5.484 1.00 11.15 H new ATOM 0 HD3 PRO A 128 35.832 -4.389 -5.642 1.00 11.15 H new ATOM 2118 N VAL A 129 36.530 -0.228 -2.131 1.00 73.35 N ATOM 2119 CA VAL A 129 37.440 0.633 -1.387 1.00 24.24 C ATOM 2120 C VAL A 129 38.561 -0.177 -0.744 1.00 34.41 C ATOM 2121 O VAL A 129 38.319 -1.223 -0.141 1.00 74.53 O ATOM 2122 CB VAL A 129 36.698 1.421 -0.291 1.00 71.30 C ATOM 2123 CG1 VAL A 129 35.584 2.260 -0.898 1.00 71.44 C ATOM 2124 CG2 VAL A 129 36.148 0.474 0.766 1.00 44.44 C ATOM 0 H VAL A 129 35.549 -0.130 -1.870 1.00 73.35 H new ATOM 0 HA VAL A 129 37.867 1.335 -2.103 1.00 24.24 H new ATOM 0 HB VAL A 129 37.407 2.095 0.191 1.00 71.30 H new ATOM 0 HG11 VAL A 129 35.071 2.810 -0.109 1.00 71.44 H new ATOM 0 HG12 VAL A 129 36.008 2.964 -1.614 1.00 71.44 H new ATOM 0 HG13 VAL A 129 34.874 1.608 -1.407 1.00 71.44 H new ATOM 0 HG21 VAL A 129 35.627 1.047 1.533 1.00 44.44 H new ATOM 0 HG22 VAL A 129 35.453 -0.226 0.301 1.00 44.44 H new ATOM 0 HG23 VAL A 129 36.969 -0.079 1.222 1.00 44.44 H new ATOM 2134 N LYS A 130 39.788 0.313 -0.876 1.00 25.23 N ATOM 2135 CA LYS A 130 40.948 -0.364 -0.307 1.00 0.34 C ATOM 2136 C LYS A 130 41.219 0.123 1.113 1.00 4.22 C ATOM 2137 O LYS A 130 41.849 1.163 1.314 1.00 22.43 O ATOM 2138 CB LYS A 130 42.181 -0.129 -1.182 1.00 23.50 C ATOM 2139 CG LYS A 130 42.371 -1.183 -2.259 1.00 65.13 C ATOM 2140 CD LYS A 130 41.274 -1.112 -3.308 1.00 64.42 C ATOM 2141 CE LYS A 130 41.759 -1.623 -4.657 1.00 12.13 C ATOM 2142 NZ LYS A 130 41.788 -3.111 -4.709 1.00 11.14 N ATOM 0 H LYS A 130 40.006 1.177 -1.372 1.00 25.23 H new ATOM 0 HA LYS A 130 40.733 -1.432 -0.272 1.00 0.34 H new ATOM 0 HB2 LYS A 130 42.100 0.850 -1.654 1.00 23.50 H new ATOM 0 HB3 LYS A 130 43.067 -0.105 -0.548 1.00 23.50 H new ATOM 0 HG2 LYS A 130 43.341 -1.046 -2.736 1.00 65.13 H new ATOM 0 HG3 LYS A 130 42.377 -2.173 -1.803 1.00 65.13 H new ATOM 0 HD2 LYS A 130 40.418 -1.702 -2.981 1.00 64.42 H new ATOM 0 HD3 LYS A 130 40.932 -0.082 -3.409 1.00 64.42 H new ATOM 0 HE2 LYS A 130 41.107 -1.245 -5.444 1.00 12.13 H new ATOM 0 HE3 LYS A 130 42.757 -1.233 -4.855 1.00 12.13 H new ATOM 0 HZ1 LYS A 130 42.124 -3.419 -5.644 1.00 11.14 H new ATOM 0 HZ2 LYS A 130 42.430 -3.472 -3.974 1.00 11.14 H new ATOM 0 HZ3 LYS A 130 40.831 -3.483 -4.545 1.00 11.14 H new ATOM 2156 N LEU A 131 40.742 -0.634 2.095 1.00 62.13 N ATOM 2157 CA LEU A 131 40.935 -0.280 3.497 1.00 71.42 C ATOM 2158 C LEU A 131 42.377 -0.527 3.927 1.00 22.14 C ATOM 2159 O LEU A 131 42.913 0.187 4.775 1.00 22.30 O ATOM 2160 CB LEU A 131 39.982 -1.085 4.382 1.00 74.31 C ATOM 2161 CG LEU A 131 38.505 -0.695 4.307 1.00 2.51 C ATOM 2162 CD1 LEU A 131 37.761 -1.602 3.339 1.00 3.34 C ATOM 2163 CD2 LEU A 131 37.869 -0.749 5.688 1.00 14.42 C ATOM 0 H LEU A 131 40.219 -1.497 1.946 1.00 62.13 H new ATOM 0 HA LEU A 131 40.718 0.782 3.612 1.00 71.42 H new ATOM 0 HB2 LEU A 131 40.073 -2.138 4.116 1.00 74.31 H new ATOM 0 HB3 LEU A 131 40.310 -0.989 5.417 1.00 74.31 H new ATOM 0 HG LEU A 131 38.438 0.328 3.937 1.00 2.51 H new ATOM 0 HD11 LEU A 131 36.712 -1.309 3.299 1.00 3.34 H new ATOM 0 HD12 LEU A 131 38.201 -1.513 2.346 1.00 3.34 H new ATOM 0 HD13 LEU A 131 37.837 -2.635 3.678 1.00 3.34 H new ATOM 0 HD21 LEU A 131 36.818 -0.469 5.616 1.00 14.42 H new ATOM 0 HD22 LEU A 131 37.948 -1.761 6.086 1.00 14.42 H new ATOM 0 HD23 LEU A 131 38.384 -0.056 6.353 1.00 14.42 H new ATOM 2175 N SER A 132 43.001 -1.541 3.336 1.00 73.10 N ATOM 2176 CA SER A 132 44.381 -1.883 3.659 1.00 31.14 C ATOM 2177 C SER A 132 45.329 -1.413 2.561 1.00 51.44 C ATOM 2178 O SER A 132 45.973 -2.221 1.893 1.00 22.34 O ATOM 2179 CB SER A 132 44.521 -3.394 3.858 1.00 42.44 C ATOM 2180 OG SER A 132 44.055 -4.102 2.722 1.00 22.34 O ATOM 0 H SER A 132 42.572 -2.140 2.631 1.00 73.10 H new ATOM 0 HA SER A 132 44.648 -1.375 4.586 1.00 31.14 H new ATOM 0 HB2 SER A 132 45.565 -3.645 4.044 1.00 42.44 H new ATOM 0 HB3 SER A 132 43.958 -3.702 4.739 1.00 42.44 H new ATOM 0 HG SER A 132 44.586 -3.849 1.938 1.00 22.34 H new ATOM 2186 N ALA A 133 45.408 -0.098 2.379 1.00 61.51 N ATOM 2187 CA ALA A 133 46.278 0.481 1.363 1.00 1.21 C ATOM 2188 C ALA A 133 47.537 1.070 1.990 1.00 43.30 C ATOM 2189 O ALA A 133 48.360 1.676 1.302 1.00 53.12 O ATOM 2190 CB ALA A 133 45.531 1.546 0.574 1.00 43.22 C ATOM 0 H ALA A 133 44.880 0.585 2.922 1.00 61.51 H new ATOM 0 HA ALA A 133 46.581 -0.315 0.682 1.00 1.21 H new ATOM 0 HB1 ALA A 133 46.193 1.970 -0.181 1.00 43.22 H new ATOM 0 HB2 ALA A 133 44.665 1.098 0.087 1.00 43.22 H new ATOM 0 HB3 ALA A 133 45.200 2.334 1.250 1.00 43.22 H new