USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 941 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 75 THR OG1 : rot 160:sc= 0.695 USER MOD Set 1.2: A 90 HIS : no HE2:sc= -0.642 K(o=0.053,f=-6!) USER MOD Single : A 1 GLY N :NH3+ 151:sc= 0 (180deg=-0.309) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0563 USER MOD Single : A 9 LYS NZ :NH3+ 166:sc= -0.0707 (180deg=-0.337) USER MOD Single : A 10 CYS SG : rot 113:sc= 0.698 USER MOD Single : A 13 MET CE :methyl -129:sc= -2.29 (180deg=-5.29!) USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= -1.09 (180deg=-1.41!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.148 USER MOD Single : A 27 ASN : amide:sc= -3.24 K(o=-3.2,f=-4.1!) USER MOD Single : A 31 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.012) USER MOD Single : A 35 LYS NZ :NH3+ -125:sc= 0.0949 (180deg=-0.316) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 105:sc= 0.0855 USER MOD Single : A 50 SER OG : rot -103:sc= 1.11 USER MOD Single : A 52 SER OG : rot -12:sc= 1.17 USER MOD Single : A 56 HIS : no HD1:sc= -0.0387 K(o=-0.039,f=-0.54) USER MOD Single : A 59 THR OG1 : rot 34:sc= 0.202 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -78:sc= -1.36 USER MOD Single : A 70 LYS NZ :NH3+ -130:sc= 0.948 (180deg=-0.706) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -151:sc= 0.493 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 120:sc= -0.73 USER MOD Single : A 87 MET CE :methyl 139:sc= -2.91! (180deg=-3.89!) USER MOD Single : A 88 HIS : no HD1:sc= -1.5 X(o=-1.5,f=-1.2) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.14) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot -170:sc= -0.458 USER MOD Single : A 110 MET CE :methyl -128:sc= -1.45 (180deg=-8.22!) USER MOD Single : A 112 SER OG : rot 180:sc= 0.0829 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0.00845 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot -14:sc= 0.795 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 124 ASN : amide:sc= -0.071 X(o=-0.071,f=-0.0014) USER MOD Single : A 126 LYS NZ :NH3+ -165:sc= -0.0582 (180deg=-0.326) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.061 15.054 9.144 1.00 61.14 N ATOM 2 CA GLY A 1 -0.356 13.923 8.569 1.00 32.12 C ATOM 3 C GLY A 1 0.833 14.347 7.731 1.00 34.20 C ATOM 4 O GLY A 1 0.782 14.357 6.501 1.00 34.12 O ATOM 0 H1 GLY A 1 -2.064 14.810 9.270 1.00 61.14 H new ATOM 0 H2 GLY A 1 -0.644 15.290 10.067 1.00 61.14 H new ATOM 0 H3 GLY A 1 -0.981 15.873 8.508 1.00 61.14 H new ATOM 0 HA2 GLY A 1 -0.017 13.265 9.369 1.00 32.12 H new ATOM 0 HA3 GLY A 1 -1.044 13.345 7.952 1.00 32.12 H new ATOM 8 N PRO A 2 1.936 14.711 8.403 1.00 40.13 N ATOM 9 CA PRO A 2 3.165 15.145 7.732 1.00 12.23 C ATOM 10 C PRO A 2 3.865 14.002 7.006 1.00 60.11 C ATOM 11 O PRO A 2 4.796 14.222 6.230 1.00 13.32 O ATOM 12 CB PRO A 2 4.034 15.660 8.883 1.00 65.30 C ATOM 13 CG PRO A 2 3.542 14.930 10.084 1.00 53.50 C ATOM 14 CD PRO A 2 2.069 14.723 9.870 1.00 2.22 C ATOM 0 HA PRO A 2 2.967 15.891 6.962 1.00 12.23 H new ATOM 0 HB2 PRO A 2 5.090 15.459 8.702 1.00 65.30 H new ATOM 0 HB3 PRO A 2 3.931 16.738 9.005 1.00 65.30 H new ATOM 0 HG2 PRO A 2 4.057 13.976 10.199 1.00 53.50 H new ATOM 0 HG3 PRO A 2 3.727 15.504 10.992 1.00 53.50 H new ATOM 0 HD2 PRO A 2 1.726 13.788 10.312 1.00 2.22 H new ATOM 0 HD3 PRO A 2 1.481 15.523 10.320 1.00 2.22 H new ATOM 22 N THR A 3 3.411 12.779 7.262 1.00 14.22 N ATOM 23 CA THR A 3 3.994 11.601 6.633 1.00 30.12 C ATOM 24 C THR A 3 2.912 10.634 6.164 1.00 52.42 C ATOM 25 O THR A 3 1.727 10.844 6.420 1.00 64.13 O ATOM 26 CB THR A 3 4.944 10.861 7.595 1.00 60.14 C ATOM 27 OG1 THR A 3 4.215 10.384 8.731 1.00 65.23 O ATOM 28 CG2 THR A 3 6.067 11.778 8.056 1.00 54.24 C ATOM 0 H THR A 3 2.641 12.579 7.901 1.00 14.22 H new ATOM 0 HA THR A 3 4.562 11.953 5.772 1.00 30.12 H new ATOM 0 HB THR A 3 5.381 10.016 7.063 1.00 60.14 H new ATOM 0 HG1 THR A 3 4.825 9.913 9.337 1.00 65.23 H new ATOM 0 HG21 THR A 3 6.725 11.235 8.734 1.00 54.24 H new ATOM 0 HG22 THR A 3 6.637 12.118 7.191 1.00 54.24 H new ATOM 0 HG23 THR A 3 5.644 12.639 8.573 1.00 54.24 H new ATOM 36 N GLY A 4 3.327 9.576 5.476 1.00 41.43 N ATOM 37 CA GLY A 4 2.380 8.593 4.983 1.00 44.14 C ATOM 38 C GLY A 4 2.696 8.141 3.571 1.00 45.21 C ATOM 39 O GLY A 4 3.840 8.227 3.124 1.00 55.11 O ATOM 0 H GLY A 4 4.303 9.381 5.251 1.00 41.43 H new ATOM 0 HA2 GLY A 4 2.380 7.728 5.647 1.00 44.14 H new ATOM 0 HA3 GLY A 4 1.376 9.015 5.010 1.00 44.14 H new ATOM 43 N THR A 5 1.678 7.657 2.864 1.00 31.41 N ATOM 44 CA THR A 5 1.853 7.188 1.496 1.00 22.34 C ATOM 45 C THR A 5 1.222 8.152 0.499 1.00 31.32 C ATOM 46 O THR A 5 0.850 7.762 -0.606 1.00 14.22 O ATOM 47 CB THR A 5 1.238 5.789 1.299 1.00 73.45 C ATOM 48 OG1 THR A 5 -0.187 5.860 1.412 1.00 5.02 O ATOM 49 CG2 THR A 5 1.785 4.809 2.326 1.00 64.33 C ATOM 0 H THR A 5 0.724 7.580 3.217 1.00 31.41 H new ATOM 0 HA THR A 5 2.927 7.134 1.316 1.00 22.34 H new ATOM 0 HB THR A 5 1.506 5.435 0.303 1.00 73.45 H new ATOM 0 HG1 THR A 5 -0.570 4.967 1.284 1.00 5.02 H new ATOM 0 HG21 THR A 5 1.337 3.828 2.168 1.00 64.33 H new ATOM 0 HG22 THR A 5 2.867 4.735 2.218 1.00 64.33 H new ATOM 0 HG23 THR A 5 1.544 5.161 3.329 1.00 64.33 H new ATOM 57 N GLY A 6 1.105 9.416 0.898 1.00 71.40 N ATOM 58 CA GLY A 6 0.519 10.417 0.026 1.00 40.22 C ATOM 59 C GLY A 6 1.418 10.767 -1.143 1.00 10.15 C ATOM 60 O GLY A 6 0.942 11.191 -2.195 1.00 53.20 O ATOM 0 H GLY A 6 1.405 9.764 1.809 1.00 71.40 H new ATOM 0 HA2 GLY A 6 -0.436 10.051 -0.351 1.00 40.22 H new ATOM 0 HA3 GLY A 6 0.310 11.318 0.602 1.00 40.22 H new ATOM 64 N GLU A 7 2.723 10.591 -0.957 1.00 40.40 N ATOM 65 CA GLU A 7 3.691 10.894 -2.005 1.00 12.15 C ATOM 66 C GLU A 7 5.006 10.158 -1.760 1.00 51.21 C ATOM 67 O GLU A 7 5.226 9.599 -0.686 1.00 21.41 O ATOM 68 CB GLU A 7 3.942 12.401 -2.077 1.00 43.22 C ATOM 69 CG GLU A 7 4.053 12.932 -3.495 1.00 35.11 C ATOM 70 CD GLU A 7 3.621 14.381 -3.611 1.00 70.21 C ATOM 71 OE1 GLU A 7 3.350 15.006 -2.564 1.00 64.44 O ATOM 72 OE2 GLU A 7 3.555 14.891 -4.750 1.00 72.12 O1- ATOM 0 H GLU A 7 3.134 10.241 -0.092 1.00 40.40 H new ATOM 0 HA GLU A 7 3.278 10.556 -2.955 1.00 12.15 H new ATOM 0 HB2 GLU A 7 3.132 12.921 -1.566 1.00 43.22 H new ATOM 0 HB3 GLU A 7 4.860 12.634 -1.538 1.00 43.22 H new ATOM 0 HG2 GLU A 7 5.084 12.836 -3.835 1.00 35.11 H new ATOM 0 HG3 GLU A 7 3.440 12.320 -4.157 1.00 35.11 H new ATOM 79 N SER A 8 5.875 10.163 -2.766 1.00 30.32 N ATOM 80 CA SER A 8 7.166 9.492 -2.663 1.00 50.54 C ATOM 81 C SER A 8 7.908 9.933 -1.404 1.00 74.54 C ATOM 82 O SER A 8 7.716 11.046 -0.914 1.00 32.03 O ATOM 83 CB SER A 8 8.018 9.787 -3.899 1.00 2.22 C ATOM 84 OG SER A 8 7.644 11.017 -4.494 1.00 41.42 O ATOM 0 H SER A 8 5.709 10.624 -3.661 1.00 30.32 H new ATOM 0 HA SER A 8 6.986 8.419 -2.602 1.00 50.54 H new ATOM 0 HB2 SER A 8 9.071 9.820 -3.619 1.00 2.22 H new ATOM 0 HB3 SER A 8 7.906 8.980 -4.623 1.00 2.22 H new ATOM 0 HG SER A 8 8.204 11.184 -5.281 1.00 41.42 H new ATOM 90 N LYS A 9 8.756 9.051 -0.886 1.00 25.14 N ATOM 91 CA LYS A 9 9.528 9.346 0.315 1.00 4.14 C ATOM 92 C LYS A 9 10.759 10.181 -0.022 1.00 50.55 C ATOM 93 O LYS A 9 10.998 10.510 -1.184 1.00 2.11 O ATOM 94 CB LYS A 9 9.952 8.048 1.006 1.00 2.34 C ATOM 95 CG LYS A 9 8.850 7.412 1.835 1.00 10.32 C ATOM 96 CD LYS A 9 7.729 6.881 0.959 1.00 40.34 C ATOM 97 CE LYS A 9 8.236 5.839 -0.027 1.00 14.34 C ATOM 98 NZ LYS A 9 9.021 4.771 0.652 1.00 60.34 N1+ ATOM 0 H LYS A 9 8.926 8.125 -1.280 1.00 25.14 H new ATOM 0 HA LYS A 9 8.895 9.920 0.992 1.00 4.14 H new ATOM 0 HB2 LYS A 9 10.284 7.336 0.251 1.00 2.34 H new ATOM 0 HB3 LYS A 9 10.808 8.252 1.650 1.00 2.34 H new ATOM 0 HG2 LYS A 9 9.265 6.598 2.430 1.00 10.32 H new ATOM 0 HG3 LYS A 9 8.450 8.146 2.534 1.00 10.32 H new ATOM 0 HD2 LYS A 9 6.953 6.442 1.586 1.00 40.34 H new ATOM 0 HD3 LYS A 9 7.270 7.706 0.414 1.00 40.34 H new ATOM 0 HE2 LYS A 9 7.391 5.392 -0.550 1.00 14.34 H new ATOM 0 HE3 LYS A 9 8.857 6.323 -0.780 1.00 14.34 H new ATOM 0 HZ1 LYS A 9 9.146 3.967 0.004 1.00 60.34 H new ATOM 0 HZ2 LYS A 9 9.953 5.145 0.924 1.00 60.34 H new ATOM 0 HZ3 LYS A 9 8.513 4.454 1.502 1.00 60.34 H new ATOM 112 N CYS A 10 11.538 10.519 1.000 1.00 54.34 N ATOM 113 CA CYS A 10 12.746 11.315 0.812 1.00 63.03 C ATOM 114 C CYS A 10 13.630 10.711 -0.274 1.00 10.52 C ATOM 115 O CYS A 10 13.569 9.516 -0.565 1.00 12.21 O ATOM 116 CB CYS A 10 13.524 11.417 2.124 1.00 2.32 C ATOM 117 SG CYS A 10 13.788 9.830 2.951 1.00 4.01 S ATOM 0 H CYS A 10 11.354 10.254 1.968 1.00 54.34 H new ATOM 0 HA CYS A 10 12.448 12.315 0.498 1.00 63.03 H new ATOM 0 HB2 CYS A 10 14.492 11.876 1.925 1.00 2.32 H new ATOM 0 HB3 CYS A 10 12.988 12.083 2.801 1.00 2.32 H new ATOM 0 HG CYS A 10 15.055 9.540 2.940 1.00 4.01 H new ATOM 123 N PRO A 11 14.472 11.555 -0.889 1.00 53.44 N ATOM 124 CA PRO A 11 15.385 11.128 -1.953 1.00 54.45 C ATOM 125 C PRO A 11 16.506 10.235 -1.431 1.00 45.03 C ATOM 126 O PRO A 11 17.175 9.545 -2.202 1.00 23.34 O ATOM 127 CB PRO A 11 15.955 12.446 -2.483 1.00 72.55 C ATOM 128 CG PRO A 11 15.838 13.395 -1.341 1.00 3.34 C ATOM 129 CD PRO A 11 14.598 12.992 -0.592 1.00 61.21 C ATOM 0 HA PRO A 11 14.876 10.533 -2.711 1.00 54.45 H new ATOM 0 HB2 PRO A 11 16.992 12.331 -2.797 1.00 72.55 H new ATOM 0 HB3 PRO A 11 15.396 12.799 -3.350 1.00 72.55 H new ATOM 0 HG2 PRO A 11 16.717 13.342 -0.698 1.00 3.34 H new ATOM 0 HG3 PRO A 11 15.763 14.423 -1.694 1.00 3.34 H new ATOM 0 HD2 PRO A 11 14.698 13.174 0.478 1.00 61.21 H new ATOM 0 HD3 PRO A 11 13.725 13.550 -0.930 1.00 61.21 H new ATOM 137 N LEU A 12 16.707 10.252 -0.118 1.00 63.12 N ATOM 138 CA LEU A 12 17.747 9.442 0.508 1.00 52.33 C ATOM 139 C LEU A 12 17.228 8.776 1.777 1.00 2.43 C ATOM 140 O LEU A 12 16.891 9.450 2.751 1.00 13.02 O ATOM 141 CB LEU A 12 18.966 10.307 0.833 1.00 40.22 C ATOM 142 CG LEU A 12 20.265 9.554 1.121 1.00 11.33 C ATOM 143 CD1 LEU A 12 20.193 8.862 2.473 1.00 73.42 C ATOM 144 CD2 LEU A 12 20.553 8.546 0.018 1.00 15.23 C ATOM 0 H LEU A 12 16.164 10.818 0.534 1.00 63.12 H new ATOM 0 HA LEU A 12 18.039 8.662 -0.195 1.00 52.33 H new ATOM 0 HB2 LEU A 12 19.140 10.984 -0.003 1.00 40.22 H new ATOM 0 HB3 LEU A 12 18.728 10.925 1.699 1.00 40.22 H new ATOM 0 HG LEU A 12 21.082 10.275 1.149 1.00 11.33 H new ATOM 0 HD11 LEU A 12 21.127 8.331 2.660 1.00 73.42 H new ATOM 0 HD12 LEU A 12 20.035 9.605 3.254 1.00 73.42 H new ATOM 0 HD13 LEU A 12 19.366 8.152 2.475 1.00 73.42 H new ATOM 0 HD21 LEU A 12 21.481 8.019 0.240 1.00 15.23 H new ATOM 0 HD22 LEU A 12 19.734 7.829 -0.042 1.00 15.23 H new ATOM 0 HD23 LEU A 12 20.650 9.067 -0.935 1.00 15.23 H new ATOM 156 N MET A 13 17.168 7.448 1.761 1.00 61.20 N ATOM 157 CA MET A 13 16.694 6.690 2.913 1.00 22.34 C ATOM 158 C MET A 13 17.545 5.443 3.130 1.00 2.51 C ATOM 159 O MET A 13 18.071 4.864 2.180 1.00 53.15 O ATOM 160 CB MET A 13 15.228 6.295 2.722 1.00 74.34 C ATOM 161 CG MET A 13 14.996 5.377 1.532 1.00 62.10 C ATOM 162 SD MET A 13 13.688 4.172 1.830 1.00 31.34 S ATOM 163 CE MET A 13 14.451 3.149 3.087 1.00 60.31 C ATOM 0 H MET A 13 17.442 6.875 0.963 1.00 61.20 H new ATOM 0 HA MET A 13 16.780 7.325 3.795 1.00 22.34 H new ATOM 0 HB2 MET A 13 14.873 5.801 3.626 1.00 74.34 H new ATOM 0 HB3 MET A 13 14.630 7.198 2.596 1.00 74.34 H new ATOM 0 HG2 MET A 13 14.740 5.978 0.659 1.00 62.10 H new ATOM 0 HG3 MET A 13 15.922 4.852 1.297 1.00 62.10 H new ATOM 0 HE1 MET A 13 14.380 2.101 2.796 1.00 60.31 H new ATOM 0 HE2 MET A 13 15.500 3.426 3.194 1.00 60.31 H new ATOM 0 HE3 MET A 13 13.938 3.297 4.037 1.00 60.31 H new ATOM 173 N VAL A 14 17.677 5.034 4.388 1.00 21.22 N ATOM 174 CA VAL A 14 18.464 3.855 4.731 1.00 2.34 C ATOM 175 C VAL A 14 17.565 2.650 4.984 1.00 34.21 C ATOM 176 O VAL A 14 16.538 2.756 5.654 1.00 35.53 O ATOM 177 CB VAL A 14 19.334 4.103 5.977 1.00 44.00 C ATOM 178 CG1 VAL A 14 20.107 2.847 6.347 1.00 51.25 C ATOM 179 CG2 VAL A 14 20.280 5.271 5.741 1.00 44.55 C ATOM 0 H VAL A 14 17.249 5.502 5.187 1.00 21.22 H new ATOM 0 HA VAL A 14 19.113 3.649 3.880 1.00 2.34 H new ATOM 0 HB VAL A 14 18.680 4.357 6.811 1.00 44.00 H new ATOM 0 HG11 VAL A 14 20.716 3.041 7.230 1.00 51.25 H new ATOM 0 HG12 VAL A 14 19.407 2.039 6.560 1.00 51.25 H new ATOM 0 HG13 VAL A 14 20.752 2.559 5.517 1.00 51.25 H new ATOM 0 HG21 VAL A 14 20.888 5.433 6.631 1.00 44.55 H new ATOM 0 HG22 VAL A 14 20.929 5.048 4.894 1.00 44.55 H new ATOM 0 HG23 VAL A 14 19.702 6.170 5.528 1.00 44.55 H new ATOM 189 N LYS A 15 17.959 1.501 4.444 1.00 20.03 N ATOM 190 CA LYS A 15 17.191 0.273 4.612 1.00 34.30 C ATOM 191 C LYS A 15 18.083 -0.864 5.099 1.00 62.02 C ATOM 192 O LYS A 15 18.922 -1.371 4.355 1.00 61.44 O ATOM 193 CB LYS A 15 16.522 -0.119 3.292 1.00 53.00 C ATOM 194 CG LYS A 15 15.877 -1.494 3.323 1.00 15.14 C ATOM 195 CD LYS A 15 14.720 -1.545 4.306 1.00 41.01 C ATOM 196 CE LYS A 15 15.116 -2.245 5.597 1.00 63.11 C ATOM 197 NZ LYS A 15 14.011 -3.087 6.133 1.00 53.54 N1+ ATOM 0 H LYS A 15 18.806 1.395 3.886 1.00 20.03 H new ATOM 0 HA LYS A 15 16.422 0.455 5.362 1.00 34.30 H new ATOM 0 HB2 LYS A 15 15.764 0.624 3.044 1.00 53.00 H new ATOM 0 HB3 LYS A 15 17.266 -0.093 2.496 1.00 53.00 H new ATOM 0 HG2 LYS A 15 15.520 -1.752 2.326 1.00 15.14 H new ATOM 0 HG3 LYS A 15 16.622 -2.240 3.598 1.00 15.14 H new ATOM 0 HD2 LYS A 15 14.385 -0.532 4.528 1.00 41.01 H new ATOM 0 HD3 LYS A 15 13.878 -2.067 3.852 1.00 41.01 H new ATOM 0 HE2 LYS A 15 15.993 -2.867 5.418 1.00 63.11 H new ATOM 0 HE3 LYS A 15 15.399 -1.501 6.341 1.00 63.11 H new ATOM 0 HZ1 LYS A 15 14.173 -3.270 7.144 1.00 53.54 H new ATOM 0 HZ2 LYS A 15 13.106 -2.590 6.011 1.00 53.54 H new ATOM 0 HZ3 LYS A 15 13.982 -3.990 5.618 1.00 53.54 H new ATOM 211 N VAL A 16 17.896 -1.261 6.354 1.00 25.51 N ATOM 212 CA VAL A 16 18.682 -2.340 6.940 1.00 72.30 C ATOM 213 C VAL A 16 17.782 -3.451 7.471 1.00 42.30 C ATOM 214 O VAL A 16 16.935 -3.218 8.335 1.00 53.32 O ATOM 215 CB VAL A 16 19.575 -1.826 8.084 1.00 4.53 C ATOM 216 CG1 VAL A 16 20.434 -2.953 8.637 1.00 11.20 C ATOM 217 CG2 VAL A 16 20.439 -0.671 7.607 1.00 21.20 C ATOM 0 H VAL A 16 17.207 -0.851 6.984 1.00 25.51 H new ATOM 0 HA VAL A 16 19.314 -2.738 6.146 1.00 72.30 H new ATOM 0 HB VAL A 16 18.934 -1.462 8.887 1.00 4.53 H new ATOM 0 HG11 VAL A 16 21.059 -2.572 9.445 1.00 11.20 H new ATOM 0 HG12 VAL A 16 19.792 -3.746 9.019 1.00 11.20 H new ATOM 0 HG13 VAL A 16 21.068 -3.350 7.844 1.00 11.20 H new ATOM 0 HG21 VAL A 16 21.064 -0.320 8.429 1.00 21.20 H new ATOM 0 HG22 VAL A 16 21.073 -1.006 6.786 1.00 21.20 H new ATOM 0 HG23 VAL A 16 19.801 0.143 7.263 1.00 21.20 H new ATOM 227 N LEU A 17 17.970 -4.658 6.948 1.00 45.53 N ATOM 228 CA LEU A 17 17.175 -5.805 7.371 1.00 34.25 C ATOM 229 C LEU A 17 18.047 -7.049 7.510 1.00 35.30 C ATOM 230 O LEU A 17 19.042 -7.204 6.803 1.00 14.24 O ATOM 231 CB LEU A 17 16.048 -6.067 6.368 1.00 4.15 C ATOM 232 CG LEU A 17 16.433 -6.861 5.120 1.00 21.13 C ATOM 233 CD1 LEU A 17 15.860 -8.268 5.184 1.00 54.51 C ATOM 234 CD2 LEU A 17 15.955 -6.145 3.865 1.00 44.01 C ATOM 0 H LEU A 17 18.665 -4.867 6.231 1.00 45.53 H new ATOM 0 HA LEU A 17 16.741 -5.577 8.344 1.00 34.25 H new ATOM 0 HB2 LEU A 17 15.248 -6.601 6.882 1.00 4.15 H new ATOM 0 HB3 LEU A 17 15.639 -5.107 6.052 1.00 4.15 H new ATOM 0 HG LEU A 17 17.520 -6.935 5.081 1.00 21.13 H new ATOM 0 HD11 LEU A 17 16.145 -8.818 4.287 1.00 54.51 H new ATOM 0 HD12 LEU A 17 16.251 -8.780 6.063 1.00 54.51 H new ATOM 0 HD13 LEU A 17 14.773 -8.216 5.248 1.00 54.51 H new ATOM 0 HD21 LEU A 17 16.238 -6.724 2.986 1.00 44.01 H new ATOM 0 HD22 LEU A 17 14.871 -6.040 3.897 1.00 44.01 H new ATOM 0 HD23 LEU A 17 16.414 -5.158 3.812 1.00 44.01 H new ATOM 246 N ASP A 18 17.664 -7.934 8.424 1.00 35.22 N ATOM 247 CA ASP A 18 18.409 -9.166 8.653 1.00 62.01 C ATOM 248 C ASP A 18 18.080 -10.207 7.588 1.00 31.11 C ATOM 249 O ASP A 18 16.915 -10.536 7.367 1.00 73.51 O ATOM 250 CB ASP A 18 18.095 -9.725 10.043 1.00 12.00 C ATOM 251 CG ASP A 18 18.993 -9.141 11.117 1.00 12.43 C ATOM 252 OD1 ASP A 18 19.647 -8.113 10.849 1.00 43.43 O1- ATOM 253 OD2 ASP A 18 19.038 -9.713 12.226 1.00 41.53 O ATOM 0 H ASP A 18 16.842 -7.821 9.018 1.00 35.22 H new ATOM 0 HA ASP A 18 19.472 -8.935 8.593 1.00 62.01 H new ATOM 0 HB2 ASP A 18 17.054 -9.515 10.290 1.00 12.00 H new ATOM 0 HB3 ASP A 18 18.207 -10.809 10.030 1.00 12.00 H new ATOM 258 N ALA A 19 19.114 -10.720 6.930 1.00 34.14 N ATOM 259 CA ALA A 19 18.935 -11.723 5.888 1.00 74.24 C ATOM 260 C ALA A 19 18.737 -13.110 6.489 1.00 42.11 C ATOM 261 O ALA A 19 18.554 -14.090 5.767 1.00 25.21 O ATOM 262 CB ALA A 19 20.127 -11.721 4.942 1.00 45.22 C ATOM 0 H ALA A 19 20.085 -10.457 7.100 1.00 34.14 H new ATOM 0 HA ALA A 19 18.038 -11.468 5.324 1.00 74.24 H new ATOM 0 HB1 ALA A 19 19.979 -12.475 4.169 1.00 45.22 H new ATOM 0 HB2 ALA A 19 20.222 -10.739 4.478 1.00 45.22 H new ATOM 0 HB3 ALA A 19 21.035 -11.947 5.501 1.00 45.22 H new ATOM 268 N VAL A 20 18.775 -13.186 7.815 1.00 34.04 N ATOM 269 CA VAL A 20 18.600 -14.454 8.514 1.00 21.35 C ATOM 270 C VAL A 20 17.122 -14.787 8.685 1.00 44.04 C ATOM 271 O VAL A 20 16.721 -15.946 8.581 1.00 43.12 O ATOM 272 CB VAL A 20 19.273 -14.428 9.900 1.00 5.35 C ATOM 273 CG1 VAL A 20 19.096 -15.765 10.604 1.00 34.41 C ATOM 274 CG2 VAL A 20 20.747 -14.077 9.769 1.00 3.13 C ATOM 0 H VAL A 20 18.925 -12.384 8.427 1.00 34.04 H new ATOM 0 HA VAL A 20 19.074 -15.221 7.902 1.00 21.35 H new ATOM 0 HB VAL A 20 18.792 -13.659 10.505 1.00 5.35 H new ATOM 0 HG11 VAL A 20 19.578 -15.728 11.581 1.00 34.41 H new ATOM 0 HG12 VAL A 20 18.033 -15.972 10.731 1.00 34.41 H new ATOM 0 HG13 VAL A 20 19.550 -16.554 10.005 1.00 34.41 H new ATOM 0 HG21 VAL A 20 21.207 -14.063 10.757 1.00 3.13 H new ATOM 0 HG22 VAL A 20 21.245 -14.822 9.148 1.00 3.13 H new ATOM 0 HG23 VAL A 20 20.847 -13.094 9.308 1.00 3.13 H new ATOM 284 N ARG A 21 16.317 -13.763 8.947 1.00 13.31 N ATOM 285 CA ARG A 21 14.883 -13.947 9.133 1.00 41.52 C ATOM 286 C ARG A 21 14.095 -13.197 8.063 1.00 40.44 C ATOM 287 O ARG A 21 12.954 -13.544 7.760 1.00 1.41 O ATOM 288 CB ARG A 21 14.461 -13.466 10.523 1.00 42.31 C ATOM 289 CG ARG A 21 15.428 -13.865 11.625 1.00 55.31 C ATOM 290 CD ARG A 21 16.449 -12.770 11.894 1.00 11.13 C ATOM 291 NE ARG A 21 17.247 -13.047 13.086 1.00 51.30 N ATOM 292 CZ ARG A 21 16.819 -12.828 14.324 1.00 13.52 C ATOM 293 NH1 ARG A 21 15.607 -12.334 14.532 1.00 72.23 N1+ ATOM 294 NH2 ARG A 21 17.605 -13.106 15.357 1.00 1.52 N ATOM 0 H ARG A 21 16.633 -12.797 9.035 1.00 13.31 H new ATOM 0 HA ARG A 21 14.664 -15.011 9.042 1.00 41.52 H new ATOM 0 HB2 ARG A 21 14.367 -12.380 10.509 1.00 42.31 H new ATOM 0 HB3 ARG A 21 13.475 -13.868 10.754 1.00 42.31 H new ATOM 0 HG2 ARG A 21 14.873 -14.078 12.538 1.00 55.31 H new ATOM 0 HG3 ARG A 21 15.943 -14.783 11.343 1.00 55.31 H new ATOM 0 HD2 ARG A 21 17.108 -12.669 11.032 1.00 11.13 H new ATOM 0 HD3 ARG A 21 15.935 -11.817 12.015 1.00 11.13 H new ATOM 0 HE ARG A 21 18.184 -13.430 12.961 1.00 51.30 H new ATOM 0 HH11 ARG A 21 15.000 -12.121 13.740 1.00 72.23 H new ATOM 0 HH12 ARG A 21 15.281 -12.167 15.484 1.00 72.23 H new ATOM 0 HH21 ARG A 21 18.538 -13.488 15.200 1.00 1.52 H new ATOM 0 HH22 ARG A 21 17.276 -12.938 16.308 1.00 1.52 H new ATOM 308 N GLY A 22 14.712 -12.165 7.495 1.00 74.32 N ATOM 309 CA GLY A 22 14.054 -11.382 6.466 1.00 71.21 C ATOM 310 C GLY A 22 13.338 -10.170 7.029 1.00 53.11 C ATOM 311 O GLY A 22 12.659 -9.447 6.299 1.00 34.42 O ATOM 0 H GLY A 22 15.656 -11.858 7.729 1.00 74.32 H new ATOM 0 HA2 GLY A 22 14.793 -11.056 5.734 1.00 71.21 H new ATOM 0 HA3 GLY A 22 13.337 -12.011 5.938 1.00 71.21 H new ATOM 315 N SER A 23 13.487 -9.948 8.330 1.00 51.51 N ATOM 316 CA SER A 23 12.845 -8.818 8.992 1.00 3.34 C ATOM 317 C SER A 23 13.816 -7.651 9.139 1.00 32.43 C ATOM 318 O SER A 23 15.033 -7.805 9.035 1.00 43.34 O ATOM 319 CB SER A 23 12.321 -9.236 10.367 1.00 71.44 C ATOM 320 OG SER A 23 12.871 -10.479 10.766 1.00 35.11 O ATOM 0 H SER A 23 14.047 -10.536 8.948 1.00 51.51 H new ATOM 0 HA SER A 23 12.007 -8.495 8.374 1.00 3.34 H new ATOM 0 HB2 SER A 23 12.571 -8.471 11.103 1.00 71.44 H new ATOM 0 HB3 SER A 23 11.234 -9.308 10.339 1.00 71.44 H new ATOM 0 HG SER A 23 12.522 -10.723 11.649 1.00 35.11 H new ATOM 326 N PRO A 24 13.267 -6.452 9.387 1.00 34.11 N ATOM 327 CA PRO A 24 14.065 -5.234 9.555 1.00 75.01 C ATOM 328 C PRO A 24 14.870 -5.242 10.849 1.00 32.44 C ATOM 329 O PRO A 24 14.473 -5.865 11.834 1.00 65.23 O ATOM 330 CB PRO A 24 13.013 -4.122 9.585 1.00 55.43 C ATOM 331 CG PRO A 24 11.769 -4.791 10.060 1.00 2.33 C ATOM 332 CD PRO A 24 11.824 -6.195 9.523 1.00 25.13 C ATOM 0 HA PRO A 24 14.804 -5.118 8.762 1.00 75.01 H new ATOM 0 HB2 PRO A 24 13.309 -3.315 10.255 1.00 55.43 H new ATOM 0 HB3 PRO A 24 12.874 -3.682 8.598 1.00 55.43 H new ATOM 0 HG2 PRO A 24 11.717 -4.791 11.149 1.00 2.33 H new ATOM 0 HG3 PRO A 24 10.883 -4.269 9.699 1.00 2.33 H new ATOM 0 HD2 PRO A 24 11.352 -6.904 10.203 1.00 25.13 H new ATOM 0 HD3 PRO A 24 11.309 -6.280 8.566 1.00 25.13 H new ATOM 340 N ALA A 25 16.002 -4.547 10.841 1.00 41.01 N ATOM 341 CA ALA A 25 16.861 -4.472 12.016 1.00 63.44 C ATOM 342 C ALA A 25 16.568 -3.218 12.832 1.00 30.11 C ATOM 343 O ALA A 25 16.419 -2.127 12.279 1.00 75.14 O ATOM 344 CB ALA A 25 18.326 -4.504 11.603 1.00 64.11 C ATOM 0 H ALA A 25 16.346 -4.027 10.033 1.00 41.01 H new ATOM 0 HA ALA A 25 16.652 -5.339 12.643 1.00 63.44 H new ATOM 0 HB1 ALA A 25 18.956 -4.447 12.491 1.00 64.11 H new ATOM 0 HB2 ALA A 25 18.533 -5.432 11.070 1.00 64.11 H new ATOM 0 HB3 ALA A 25 18.539 -3.656 10.952 1.00 64.11 H new ATOM 350 N ILE A 26 16.485 -3.380 14.149 1.00 43.00 N ATOM 351 CA ILE A 26 16.209 -2.259 15.040 1.00 13.15 C ATOM 352 C ILE A 26 17.464 -1.837 15.796 1.00 11.44 C ATOM 353 O ILE A 26 18.244 -2.677 16.243 1.00 75.40 O ATOM 354 CB ILE A 26 15.104 -2.606 16.054 1.00 42.33 C ATOM 355 CG1 ILE A 26 13.731 -2.223 15.498 1.00 52.34 C ATOM 356 CG2 ILE A 26 15.361 -1.903 17.379 1.00 30.32 C ATOM 357 CD1 ILE A 26 13.354 -0.781 15.763 1.00 11.12 C ATOM 0 H ILE A 26 16.605 -4.276 14.622 1.00 43.00 H new ATOM 0 HA ILE A 26 15.870 -1.433 14.414 1.00 13.15 H new ATOM 0 HB ILE A 26 15.116 -3.682 16.228 1.00 42.33 H new ATOM 0 HG12 ILE A 26 13.720 -2.401 14.423 1.00 52.34 H new ATOM 0 HG13 ILE A 26 12.975 -2.875 15.937 1.00 52.34 H new ATOM 0 HG21 ILE A 26 14.571 -2.158 18.086 1.00 30.32 H new ATOM 0 HG22 ILE A 26 16.323 -2.222 17.780 1.00 30.32 H new ATOM 0 HG23 ILE A 26 15.373 -0.824 17.222 1.00 30.32 H new ATOM 0 HD11 ILE A 26 12.369 -0.579 15.341 1.00 11.12 H new ATOM 0 HD12 ILE A 26 13.332 -0.602 16.838 1.00 11.12 H new ATOM 0 HD13 ILE A 26 14.089 -0.122 15.301 1.00 11.12 H new ATOM 369 N ASN A 27 17.651 -0.529 15.937 1.00 72.15 N ATOM 370 CA ASN A 27 18.811 0.006 16.641 1.00 74.24 C ATOM 371 C ASN A 27 20.104 -0.371 15.924 1.00 65.44 C ATOM 372 O ASN A 27 20.992 -0.993 16.507 1.00 74.45 O ATOM 373 CB ASN A 27 18.844 -0.512 18.080 1.00 42.11 C ATOM 374 CG ASN A 27 17.532 -0.285 18.806 1.00 53.35 C ATOM 375 OD1 ASN A 27 17.078 -1.136 19.572 1.00 33.42 O ATOM 376 ND2 ASN A 27 16.916 0.868 18.570 1.00 65.05 N ATOM 0 H ASN A 27 17.014 0.180 15.573 1.00 72.15 H new ATOM 0 HA ASN A 27 18.727 1.093 16.655 1.00 74.24 H new ATOM 0 HB2 ASN A 27 19.074 -1.578 18.075 1.00 42.11 H new ATOM 0 HB3 ASN A 27 19.648 -0.016 18.624 1.00 42.11 H new ATOM 0 HD21 ASN A 27 16.031 1.077 19.031 1.00 65.05 H new ATOM 0 HD22 ASN A 27 17.328 1.544 17.928 1.00 65.05 H new ATOM 383 N VAL A 28 20.203 0.012 14.655 1.00 63.23 N ATOM 384 CA VAL A 28 21.388 -0.283 13.858 1.00 64.00 C ATOM 385 C VAL A 28 22.139 0.993 13.496 1.00 62.33 C ATOM 386 O VAL A 28 21.667 1.798 12.693 1.00 75.42 O ATOM 387 CB VAL A 28 21.021 -1.034 12.564 1.00 51.21 C ATOM 388 CG1 VAL A 28 22.257 -1.259 11.708 1.00 23.21 C ATOM 389 CG2 VAL A 28 20.340 -2.355 12.890 1.00 70.12 C ATOM 0 H VAL A 28 19.477 0.527 14.157 1.00 63.23 H new ATOM 0 HA VAL A 28 22.030 -0.918 14.469 1.00 64.00 H new ATOM 0 HB VAL A 28 20.322 -0.421 11.995 1.00 51.21 H new ATOM 0 HG11 VAL A 28 21.978 -1.791 10.798 1.00 23.21 H new ATOM 0 HG12 VAL A 28 22.698 -0.297 11.445 1.00 23.21 H new ATOM 0 HG13 VAL A 28 22.983 -1.850 12.266 1.00 23.21 H new ATOM 0 HG21 VAL A 28 20.088 -2.872 11.964 1.00 70.12 H new ATOM 0 HG22 VAL A 28 21.014 -2.976 13.481 1.00 70.12 H new ATOM 0 HG23 VAL A 28 19.430 -2.165 13.459 1.00 70.12 H new ATOM 399 N ALA A 29 23.312 1.172 14.093 1.00 51.31 N ATOM 400 CA ALA A 29 24.131 2.350 13.832 1.00 14.44 C ATOM 401 C ALA A 29 24.449 2.479 12.347 1.00 34.01 C ATOM 402 O ALA A 29 24.939 1.537 11.722 1.00 1.50 O ATOM 403 CB ALA A 29 25.415 2.291 14.646 1.00 51.41 C ATOM 0 H ALA A 29 23.717 0.516 14.761 1.00 51.31 H new ATOM 0 HA ALA A 29 23.564 3.231 14.133 1.00 14.44 H new ATOM 0 HB1 ALA A 29 26.017 3.177 14.441 1.00 51.41 H new ATOM 0 HB2 ALA A 29 25.171 2.255 15.708 1.00 51.41 H new ATOM 0 HB3 ALA A 29 25.978 1.399 14.373 1.00 51.41 H new ATOM 409 N VAL A 30 24.168 3.650 11.785 1.00 53.05 N ATOM 410 CA VAL A 30 24.424 3.902 10.373 1.00 30.12 C ATOM 411 C VAL A 30 25.006 5.295 10.160 1.00 13.12 C ATOM 412 O VAL A 30 24.497 6.281 10.693 1.00 14.35 O ATOM 413 CB VAL A 30 23.139 3.761 9.534 1.00 12.13 C ATOM 414 CG1 VAL A 30 23.405 4.132 8.083 1.00 20.24 C ATOM 415 CG2 VAL A 30 22.587 2.348 9.640 1.00 21.10 C ATOM 0 H VAL A 30 23.762 4.440 12.287 1.00 53.05 H new ATOM 0 HA VAL A 30 25.147 3.155 10.045 1.00 30.12 H new ATOM 0 HB VAL A 30 22.391 4.449 9.928 1.00 12.13 H new ATOM 0 HG11 VAL A 30 22.486 4.026 7.506 1.00 20.24 H new ATOM 0 HG12 VAL A 30 23.751 5.164 8.029 1.00 20.24 H new ATOM 0 HG13 VAL A 30 24.169 3.472 7.673 1.00 20.24 H new ATOM 0 HG21 VAL A 30 21.680 2.266 9.042 1.00 21.10 H new ATOM 0 HG22 VAL A 30 23.329 1.639 9.273 1.00 21.10 H new ATOM 0 HG23 VAL A 30 22.356 2.125 10.682 1.00 21.10 H new ATOM 425 N HIS A 31 26.078 5.369 9.376 1.00 64.03 N ATOM 426 CA HIS A 31 26.729 6.642 9.090 1.00 64.42 C ATOM 427 C HIS A 31 26.824 6.880 7.586 1.00 32.44 C ATOM 428 O HIS A 31 27.401 6.075 6.855 1.00 61.22 O ATOM 429 CB HIS A 31 28.126 6.675 9.712 1.00 31.03 C ATOM 430 CG HIS A 31 28.177 6.112 11.099 1.00 51.53 C ATOM 431 ND1 HIS A 31 28.228 6.901 12.230 1.00 72.45 N ATOM 432 CD2 HIS A 31 28.183 4.831 11.536 1.00 62.03 C ATOM 433 CE1 HIS A 31 28.265 6.129 13.301 1.00 20.24 C ATOM 434 NE2 HIS A 31 28.238 4.868 12.907 1.00 41.10 N ATOM 0 H HIS A 31 26.513 4.563 8.928 1.00 64.03 H new ATOM 0 HA HIS A 31 26.125 7.437 9.528 1.00 64.42 H new ATOM 0 HB2 HIS A 31 28.811 6.115 9.076 1.00 31.03 H new ATOM 0 HB3 HIS A 31 28.481 7.705 9.734 1.00 31.03 H new ATOM 0 HD2 HIS A 31 28.151 3.944 10.920 1.00 62.03 H new ATOM 0 HE1 HIS A 31 28.310 6.470 14.325 1.00 20.24 H new ATOM 0 HE2 HIS A 31 28.255 4.054 13.522 1.00 41.10 H new ATOM 442 N VAL A 32 26.252 7.990 7.130 1.00 24.00 N ATOM 443 CA VAL A 32 26.272 8.333 5.712 1.00 4.03 C ATOM 444 C VAL A 32 27.323 9.398 5.421 1.00 11.32 C ATOM 445 O VAL A 32 27.519 10.325 6.207 1.00 31.44 O ATOM 446 CB VAL A 32 24.897 8.841 5.239 1.00 4.31 C ATOM 447 CG1 VAL A 32 24.844 8.896 3.719 1.00 52.25 C ATOM 448 CG2 VAL A 32 23.786 7.958 5.789 1.00 32.45 C ATOM 0 H VAL A 32 25.769 8.667 7.721 1.00 24.00 H new ATOM 0 HA VAL A 32 26.521 7.422 5.168 1.00 4.03 H new ATOM 0 HB VAL A 32 24.749 9.851 5.621 1.00 4.31 H new ATOM 0 HG11 VAL A 32 23.866 9.257 3.402 1.00 52.25 H new ATOM 0 HG12 VAL A 32 25.617 9.572 3.352 1.00 52.25 H new ATOM 0 HG13 VAL A 32 25.012 7.899 3.313 1.00 52.25 H new ATOM 0 HG21 VAL A 32 22.821 8.331 5.445 1.00 32.45 H new ATOM 0 HG22 VAL A 32 23.926 6.936 5.438 1.00 32.45 H new ATOM 0 HG23 VAL A 32 23.814 7.974 6.879 1.00 32.45 H new ATOM 458 N PHE A 33 27.997 9.260 4.283 1.00 51.12 N ATOM 459 CA PHE A 33 29.029 10.209 3.886 1.00 51.45 C ATOM 460 C PHE A 33 28.914 10.550 2.404 1.00 55.55 C ATOM 461 O PHE A 33 28.219 9.867 1.651 1.00 10.22 O ATOM 462 CB PHE A 33 30.418 9.640 4.183 1.00 10.20 C ATOM 463 CG PHE A 33 30.779 9.667 5.640 1.00 4.40 C ATOM 464 CD1 PHE A 33 30.161 8.809 6.536 1.00 34.41 C ATOM 465 CD2 PHE A 33 31.735 10.550 6.115 1.00 65.40 C ATOM 466 CE1 PHE A 33 30.490 8.833 7.879 1.00 11.13 C ATOM 467 CE2 PHE A 33 32.068 10.578 7.457 1.00 73.04 C ATOM 468 CZ PHE A 33 31.446 9.717 8.339 1.00 5.30 C ATOM 0 H PHE A 33 27.846 8.500 3.620 1.00 51.12 H new ATOM 0 HA PHE A 33 28.887 11.123 4.463 1.00 51.45 H new ATOM 0 HB2 PHE A 33 30.465 8.612 3.825 1.00 10.20 H new ATOM 0 HB3 PHE A 33 31.161 10.207 3.622 1.00 10.20 H new ATOM 0 HD1 PHE A 33 29.414 8.114 6.181 1.00 34.41 H new ATOM 0 HD2 PHE A 33 32.226 11.224 5.429 1.00 65.40 H new ATOM 0 HE1 PHE A 33 30.000 8.161 8.568 1.00 11.13 H new ATOM 0 HE2 PHE A 33 32.814 11.273 7.815 1.00 73.04 H new ATOM 0 HZ PHE A 33 31.707 9.735 9.387 1.00 5.30 H new ATOM 478 N ARG A 34 29.598 11.613 1.992 1.00 64.43 N ATOM 479 CA ARG A 34 29.571 12.047 0.599 1.00 65.22 C ATOM 480 C ARG A 34 30.986 12.252 0.067 1.00 15.34 C ATOM 481 O ARG A 34 31.896 12.616 0.812 1.00 10.42 O ATOM 482 CB ARG A 34 28.770 13.343 0.463 1.00 44.03 C ATOM 483 CG ARG A 34 28.573 13.788 -0.977 1.00 42.14 C ATOM 484 CD ARG A 34 29.548 14.893 -1.357 1.00 65.22 C ATOM 485 NE ARG A 34 29.225 15.486 -2.651 1.00 22.33 N ATOM 486 CZ ARG A 34 29.385 14.856 -3.809 1.00 13.23 C ATOM 487 NH1 ARG A 34 29.862 13.619 -3.835 1.00 32.51 N1+ ATOM 488 NH2 ARG A 34 29.069 15.463 -4.946 1.00 1.52 N ATOM 0 H ARG A 34 30.177 12.189 2.602 1.00 64.43 H new ATOM 0 HA ARG A 34 29.089 11.267 0.010 1.00 65.22 H new ATOM 0 HB2 ARG A 34 27.794 13.208 0.930 1.00 44.03 H new ATOM 0 HB3 ARG A 34 29.279 14.135 1.013 1.00 44.03 H new ATOM 0 HG2 ARG A 34 28.708 12.937 -1.644 1.00 42.14 H new ATOM 0 HG3 ARG A 34 27.551 14.140 -1.114 1.00 42.14 H new ATOM 0 HD2 ARG A 34 29.535 15.667 -0.590 1.00 65.22 H new ATOM 0 HD3 ARG A 34 30.560 14.489 -1.386 1.00 65.22 H new ATOM 0 HE ARG A 34 28.856 16.437 -2.667 1.00 22.33 H new ATOM 0 HH11 ARG A 34 30.107 13.149 -2.964 1.00 32.51 H new ATOM 0 HH12 ARG A 34 29.984 13.138 -4.726 1.00 32.51 H new ATOM 0 HH21 ARG A 34 28.703 16.415 -4.931 1.00 1.52 H new ATOM 0 HH22 ARG A 34 29.193 14.978 -5.835 1.00 1.52 H new ATOM 502 N LYS A 35 31.164 12.015 -1.229 1.00 52.41 N ATOM 503 CA LYS A 35 32.467 12.173 -1.863 1.00 13.50 C ATOM 504 C LYS A 35 32.863 13.645 -1.933 1.00 22.12 C ATOM 505 O LYS A 35 32.269 14.422 -2.679 1.00 23.40 O ATOM 506 CB LYS A 35 32.449 11.571 -3.271 1.00 52.13 C ATOM 507 CG LYS A 35 33.503 12.155 -4.196 1.00 14.31 C ATOM 508 CD LYS A 35 34.907 11.895 -3.675 1.00 53.52 C ATOM 509 CE LYS A 35 35.322 10.448 -3.890 1.00 23.31 C ATOM 510 NZ LYS A 35 35.488 10.127 -5.333 1.00 21.52 N1+ ATOM 0 H LYS A 35 30.422 11.713 -1.860 1.00 52.41 H new ATOM 0 HA LYS A 35 33.204 11.645 -1.258 1.00 13.50 H new ATOM 0 HB2 LYS A 35 32.598 10.494 -3.198 1.00 52.13 H new ATOM 0 HB3 LYS A 35 31.464 11.727 -3.711 1.00 52.13 H new ATOM 0 HG2 LYS A 35 33.397 11.721 -5.190 1.00 14.31 H new ATOM 0 HG3 LYS A 35 33.345 13.229 -4.298 1.00 14.31 H new ATOM 0 HD2 LYS A 35 35.612 12.556 -4.180 1.00 53.52 H new ATOM 0 HD3 LYS A 35 34.952 12.133 -2.612 1.00 53.52 H new ATOM 0 HE2 LYS A 35 36.258 10.257 -3.366 1.00 23.31 H new ATOM 0 HE3 LYS A 35 34.573 9.787 -3.455 1.00 23.31 H new ATOM 0 HZ1 LYS A 35 34.894 9.309 -5.577 1.00 21.52 H new ATOM 0 HZ2 LYS A 35 35.201 10.946 -5.906 1.00 21.52 H new ATOM 0 HZ3 LYS A 35 36.485 9.901 -5.526 1.00 21.52 H new ATOM 524 N ALA A 36 33.871 14.019 -1.153 1.00 11.43 N ATOM 525 CA ALA A 36 34.347 15.397 -1.129 1.00 5.53 C ATOM 526 C ALA A 36 35.136 15.726 -2.391 1.00 3.33 C ATOM 527 O ALA A 36 35.640 14.832 -3.071 1.00 43.41 O ATOM 528 CB ALA A 36 35.200 15.639 0.107 1.00 65.22 C ATOM 0 H ALA A 36 34.374 13.388 -0.529 1.00 11.43 H new ATOM 0 HA ALA A 36 33.479 16.055 -1.092 1.00 5.53 H new ATOM 0 HB1 ALA A 36 35.549 16.672 0.112 1.00 65.22 H new ATOM 0 HB2 ALA A 36 34.606 15.452 1.001 1.00 65.22 H new ATOM 0 HB3 ALA A 36 36.058 14.967 0.094 1.00 65.22 H new ATOM 534 N ALA A 37 35.240 17.015 -2.699 1.00 31.41 N ATOM 535 CA ALA A 37 35.969 17.462 -3.880 1.00 53.45 C ATOM 536 C ALA A 37 37.431 17.033 -3.818 1.00 42.42 C ATOM 537 O ALA A 37 38.115 16.971 -4.840 1.00 11.14 O ATOM 538 CB ALA A 37 35.867 18.974 -4.023 1.00 43.21 C ATOM 0 H ALA A 37 34.829 17.768 -2.147 1.00 31.41 H new ATOM 0 HA ALA A 37 35.516 16.994 -4.754 1.00 53.45 H new ATOM 0 HB1 ALA A 37 36.416 19.294 -4.909 1.00 43.21 H new ATOM 0 HB2 ALA A 37 34.820 19.260 -4.122 1.00 43.21 H new ATOM 0 HB3 ALA A 37 36.292 19.452 -3.141 1.00 43.21 H new ATOM 544 N ASP A 38 37.906 16.739 -2.612 1.00 21.45 N ATOM 545 CA ASP A 38 39.287 16.314 -2.416 1.00 71.21 C ATOM 546 C ASP A 38 39.393 14.793 -2.412 1.00 42.43 C ATOM 547 O ASP A 38 40.380 14.231 -1.938 1.00 64.32 O ATOM 548 CB ASP A 38 39.835 16.880 -1.105 1.00 40.43 C ATOM 549 CG ASP A 38 40.543 18.206 -1.297 1.00 61.52 C ATOM 550 OD1 ASP A 38 41.397 18.297 -2.204 1.00 35.52 O ATOM 551 OD2 ASP A 38 40.245 19.154 -0.540 1.00 52.21 O1- ATOM 0 H ASP A 38 37.354 16.787 -1.755 1.00 21.45 H new ATOM 0 HA ASP A 38 39.881 16.698 -3.245 1.00 71.21 H new ATOM 0 HB2 ASP A 38 39.016 17.008 -0.398 1.00 40.43 H new ATOM 0 HB3 ASP A 38 40.527 16.163 -0.664 1.00 40.43 H new ATOM 556 N ASP A 39 38.370 14.132 -2.943 1.00 23.33 N ATOM 557 CA ASP A 39 38.348 12.675 -3.001 1.00 64.41 C ATOM 558 C ASP A 39 38.362 12.075 -1.599 1.00 62.43 C ATOM 559 O ASP A 39 38.996 11.047 -1.357 1.00 42.41 O ATOM 560 CB ASP A 39 39.543 12.157 -3.802 1.00 53.30 C ATOM 561 CG ASP A 39 39.452 10.671 -4.083 1.00 11.54 C ATOM 562 OD1 ASP A 39 38.508 10.258 -4.791 1.00 73.02 O1- ATOM 563 OD2 ASP A 39 40.322 9.919 -3.596 1.00 1.24 O ATOM 0 H ASP A 39 37.545 14.582 -3.339 1.00 23.33 H new ATOM 0 HA ASP A 39 37.427 12.370 -3.498 1.00 64.41 H new ATOM 0 HB2 ASP A 39 39.606 12.699 -4.746 1.00 53.30 H new ATOM 0 HB3 ASP A 39 40.462 12.364 -3.253 1.00 53.30 H new ATOM 568 N THR A 40 37.659 12.724 -0.676 1.00 24.15 N ATOM 569 CA THR A 40 37.592 12.257 0.703 1.00 43.05 C ATOM 570 C THR A 40 36.159 11.923 1.102 1.00 61.51 C ATOM 571 O THR A 40 35.229 12.101 0.315 1.00 34.22 O ATOM 572 CB THR A 40 38.152 13.308 1.680 1.00 44.50 C ATOM 573 OG1 THR A 40 37.203 14.365 1.860 1.00 41.21 O ATOM 574 CG2 THR A 40 39.465 13.879 1.166 1.00 21.33 C ATOM 0 H THR A 40 37.128 13.575 -0.859 1.00 24.15 H new ATOM 0 HA THR A 40 38.202 11.356 0.761 1.00 43.05 H new ATOM 0 HB THR A 40 38.337 12.820 2.637 1.00 44.50 H new ATOM 0 HG1 THR A 40 37.566 15.028 2.484 1.00 41.21 H new ATOM 0 HG21 THR A 40 39.841 14.619 1.872 1.00 21.33 H new ATOM 0 HG22 THR A 40 40.194 13.076 1.059 1.00 21.33 H new ATOM 0 HG23 THR A 40 39.302 14.352 0.198 1.00 21.33 H new ATOM 582 N TRP A 41 35.988 11.438 2.326 1.00 45.03 N ATOM 583 CA TRP A 41 34.666 11.079 2.828 1.00 2.42 C ATOM 584 C TRP A 41 34.146 12.136 3.796 1.00 70.44 C ATOM 585 O TRP A 41 34.617 12.239 4.928 1.00 32.21 O ATOM 586 CB TRP A 41 34.714 9.716 3.521 1.00 70.13 C ATOM 587 CG TRP A 41 34.832 8.568 2.565 1.00 74.41 C ATOM 588 CD1 TRP A 41 35.425 8.583 1.335 1.00 33.11 C ATOM 589 CD2 TRP A 41 34.344 7.237 2.760 1.00 44.32 C ATOM 590 NE1 TRP A 41 35.333 7.342 0.754 1.00 50.54 N ATOM 591 CE2 TRP A 41 34.676 6.497 1.608 1.00 44.12 C ATOM 592 CE3 TRP A 41 33.660 6.597 3.797 1.00 73.52 C ATOM 593 CZ2 TRP A 41 34.345 5.153 1.466 1.00 60.44 C ATOM 594 CZ3 TRP A 41 33.332 5.261 3.655 1.00 61.10 C ATOM 595 CH2 TRP A 41 33.675 4.551 2.497 1.00 75.05 C ATOM 0 H TRP A 41 36.747 11.284 2.989 1.00 45.03 H new ATOM 0 HA TRP A 41 33.985 11.024 1.979 1.00 2.42 H new ATOM 0 HB2 TRP A 41 35.560 9.695 4.209 1.00 70.13 H new ATOM 0 HB3 TRP A 41 33.813 9.589 4.121 1.00 70.13 H new ATOM 0 HD1 TRP A 41 35.897 9.444 0.885 1.00 33.11 H new ATOM 0 HE1 TRP A 41 35.696 7.090 -0.166 1.00 50.54 H new ATOM 0 HE3 TRP A 41 33.392 7.136 4.694 1.00 73.52 H new ATOM 0 HZ2 TRP A 41 34.607 4.604 0.574 1.00 60.44 H new ATOM 0 HZ3 TRP A 41 32.803 4.757 4.450 1.00 61.10 H new ATOM 0 HH2 TRP A 41 33.406 3.508 2.416 1.00 75.05 H new ATOM 606 N GLU A 42 33.173 12.919 3.342 1.00 73.10 N ATOM 607 CA GLU A 42 32.590 13.970 4.169 1.00 54.20 C ATOM 608 C GLU A 42 31.343 13.466 4.889 1.00 4.34 C ATOM 609 O GLU A 42 30.631 12.584 4.409 1.00 73.22 O ATOM 610 CB GLU A 42 32.240 15.188 3.313 1.00 31.41 C ATOM 611 CG GLU A 42 33.455 15.959 2.825 1.00 53.13 C ATOM 612 CD GLU A 42 33.875 17.056 3.784 1.00 51.31 C ATOM 613 OE1 GLU A 42 33.041 17.936 4.080 1.00 60.43 O1- ATOM 614 OE2 GLU A 42 35.038 17.033 4.239 1.00 64.44 O ATOM 0 H GLU A 42 32.772 12.846 2.407 1.00 73.10 H new ATOM 0 HA GLU A 42 33.328 14.260 4.916 1.00 54.20 H new ATOM 0 HB2 GLU A 42 31.658 14.861 2.452 1.00 31.41 H new ATOM 0 HB3 GLU A 42 31.604 15.858 3.892 1.00 31.41 H new ATOM 0 HG2 GLU A 42 34.286 15.268 2.683 1.00 53.13 H new ATOM 0 HG3 GLU A 42 33.235 16.397 1.852 1.00 53.13 H new ATOM 621 N PRO A 43 31.072 14.038 6.073 1.00 54.34 N ATOM 622 CA PRO A 43 29.911 13.663 6.885 1.00 24.43 C ATOM 623 C PRO A 43 28.595 14.109 6.257 1.00 42.40 C ATOM 624 O PRO A 43 28.331 15.304 6.126 1.00 63.02 O ATOM 625 CB PRO A 43 30.150 14.400 8.205 1.00 15.11 C ATOM 626 CG PRO A 43 31.007 15.562 7.840 1.00 23.24 C ATOM 627 CD PRO A 43 31.877 15.095 6.707 1.00 63.44 C ATOM 0 HA PRO A 43 29.821 12.582 6.994 1.00 24.43 H new ATOM 0 HB2 PRO A 43 29.211 14.726 8.652 1.00 15.11 H new ATOM 0 HB3 PRO A 43 30.644 13.757 8.934 1.00 15.11 H new ATOM 0 HG2 PRO A 43 30.400 16.416 7.539 1.00 23.24 H new ATOM 0 HG3 PRO A 43 31.611 15.883 8.689 1.00 23.24 H new ATOM 0 HD2 PRO A 43 32.099 15.904 6.011 1.00 63.44 H new ATOM 0 HD3 PRO A 43 32.833 14.712 7.065 1.00 63.44 H new ATOM 635 N PHE A 44 27.772 13.140 5.869 1.00 23.33 N ATOM 636 CA PHE A 44 26.482 13.433 5.254 1.00 30.03 C ATOM 637 C PHE A 44 25.350 13.283 6.265 1.00 11.52 C ATOM 638 O PHE A 44 24.426 14.095 6.305 1.00 21.02 O ATOM 639 CB PHE A 44 26.241 12.507 4.060 1.00 54.34 C ATOM 640 CG PHE A 44 24.972 12.807 3.315 1.00 42.35 C ATOM 641 CD1 PHE A 44 23.748 12.376 3.800 1.00 23.01 C ATOM 642 CD2 PHE A 44 25.003 13.523 2.128 1.00 4.03 C ATOM 643 CE1 PHE A 44 22.579 12.651 3.118 1.00 44.13 C ATOM 644 CE2 PHE A 44 23.837 13.802 1.441 1.00 24.11 C ATOM 645 CZ PHE A 44 22.624 13.364 1.936 1.00 75.12 C ATOM 0 H PHE A 44 27.975 12.146 5.969 1.00 23.33 H new ATOM 0 HA PHE A 44 26.500 14.466 4.907 1.00 30.03 H new ATOM 0 HB2 PHE A 44 27.084 12.586 3.373 1.00 54.34 H new ATOM 0 HB3 PHE A 44 26.212 11.475 4.411 1.00 54.34 H new ATOM 0 HD1 PHE A 44 23.707 11.818 4.724 1.00 23.01 H new ATOM 0 HD2 PHE A 44 25.949 13.866 1.736 1.00 4.03 H new ATOM 0 HE1 PHE A 44 21.632 12.309 3.508 1.00 44.13 H new ATOM 0 HE2 PHE A 44 23.874 14.362 0.518 1.00 24.11 H new ATOM 0 HZ PHE A 44 21.712 13.579 1.399 1.00 75.12 H new ATOM 655 N ALA A 45 25.429 12.238 7.083 1.00 71.23 N ATOM 656 CA ALA A 45 24.413 11.982 8.096 1.00 64.43 C ATOM 657 C ALA A 45 24.803 10.801 8.977 1.00 24.31 C ATOM 658 O ALA A 45 25.819 10.147 8.743 1.00 5.31 O ATOM 659 CB ALA A 45 23.064 11.730 7.438 1.00 55.21 C ATOM 0 H ALA A 45 26.186 11.555 7.064 1.00 71.23 H new ATOM 0 HA ALA A 45 24.336 12.865 8.730 1.00 64.43 H new ATOM 0 HB1 ALA A 45 22.314 11.540 8.206 1.00 55.21 H new ATOM 0 HB2 ALA A 45 22.774 12.605 6.856 1.00 55.21 H new ATOM 0 HB3 ALA A 45 23.136 10.864 6.780 1.00 55.21 H new ATOM 665 N SER A 46 23.989 10.532 9.993 1.00 61.42 N ATOM 666 CA SER A 46 24.251 9.432 10.913 1.00 20.23 C ATOM 667 C SER A 46 23.066 9.210 11.847 1.00 55.20 C ATOM 668 O SER A 46 22.380 10.155 12.233 1.00 65.33 O ATOM 669 CB SER A 46 25.513 9.713 11.730 1.00 30.24 C ATOM 670 OG SER A 46 25.423 9.137 13.023 1.00 45.23 O ATOM 0 H SER A 46 23.142 11.061 10.200 1.00 61.42 H new ATOM 0 HA SER A 46 24.401 8.527 10.324 1.00 20.23 H new ATOM 0 HB2 SER A 46 26.383 9.313 11.210 1.00 30.24 H new ATOM 0 HB3 SER A 46 25.661 10.789 11.817 1.00 30.24 H new ATOM 0 HG SER A 46 26.243 9.330 13.525 1.00 45.23 H new ATOM 676 N GLY A 47 22.830 7.951 12.207 1.00 22.52 N ATOM 677 CA GLY A 47 21.728 7.627 13.092 1.00 13.24 C ATOM 678 C GLY A 47 21.548 6.132 13.270 1.00 23.24 C ATOM 679 O GLY A 47 22.505 5.366 13.160 1.00 53.34 O ATOM 0 H GLY A 47 23.383 7.151 11.901 1.00 22.52 H new ATOM 0 HA2 GLY A 47 21.900 8.088 14.065 1.00 13.24 H new ATOM 0 HA3 GLY A 47 20.808 8.056 12.694 1.00 13.24 H new ATOM 683 N LYS A 48 20.317 5.714 13.548 1.00 71.53 N ATOM 684 CA LYS A 48 20.013 4.302 13.742 1.00 65.33 C ATOM 685 C LYS A 48 18.738 3.912 13.001 1.00 1.25 C ATOM 686 O LYS A 48 17.731 4.619 13.061 1.00 42.23 O ATOM 687 CB LYS A 48 19.864 3.992 15.233 1.00 75.34 C ATOM 688 CG LYS A 48 21.142 3.490 15.881 1.00 22.40 C ATOM 689 CD LYS A 48 20.934 3.171 17.353 1.00 43.34 C ATOM 690 CE LYS A 48 20.585 4.418 18.150 1.00 30.21 C ATOM 691 NZ LYS A 48 21.280 4.447 19.467 1.00 35.43 N1+ ATOM 0 H LYS A 48 19.513 6.335 13.644 1.00 71.53 H new ATOM 0 HA LYS A 48 20.840 3.719 13.336 1.00 65.33 H new ATOM 0 HB2 LYS A 48 19.533 4.892 15.751 1.00 75.34 H new ATOM 0 HB3 LYS A 48 19.082 3.244 15.363 1.00 75.34 H new ATOM 0 HG2 LYS A 48 21.489 2.598 15.360 1.00 22.40 H new ATOM 0 HG3 LYS A 48 21.923 4.243 15.778 1.00 22.40 H new ATOM 0 HD2 LYS A 48 20.136 2.436 17.458 1.00 43.34 H new ATOM 0 HD3 LYS A 48 21.839 2.719 17.760 1.00 43.34 H new ATOM 0 HE2 LYS A 48 20.857 5.304 17.576 1.00 30.21 H new ATOM 0 HE3 LYS A 48 19.507 4.459 18.307 1.00 30.21 H new ATOM 0 HZ1 LYS A 48 21.016 5.312 19.980 1.00 35.43 H new ATOM 0 HZ2 LYS A 48 21.001 3.615 20.025 1.00 35.43 H new ATOM 0 HZ3 LYS A 48 22.309 4.434 19.317 1.00 35.43 H new ATOM 705 N THR A 49 18.787 2.783 12.302 1.00 51.42 N ATOM 706 CA THR A 49 17.636 2.299 11.549 1.00 70.12 C ATOM 707 C THR A 49 16.442 2.058 12.465 1.00 10.11 C ATOM 708 O THR A 49 16.560 2.136 13.688 1.00 53.44 O ATOM 709 CB THR A 49 17.964 0.995 10.797 1.00 52.42 C ATOM 710 OG1 THR A 49 18.130 -0.079 11.729 1.00 74.22 O ATOM 711 CG2 THR A 49 19.229 1.153 9.967 1.00 34.12 C ATOM 0 H THR A 49 19.612 2.186 12.241 1.00 51.42 H new ATOM 0 HA THR A 49 17.384 3.073 10.824 1.00 70.12 H new ATOM 0 HB THR A 49 17.135 0.769 10.127 1.00 52.42 H new ATOM 0 HG1 THR A 49 17.341 -0.659 11.703 1.00 74.22 H new ATOM 0 HG21 THR A 49 19.441 0.220 9.445 1.00 34.12 H new ATOM 0 HG22 THR A 49 19.089 1.952 9.239 1.00 34.12 H new ATOM 0 HG23 THR A 49 20.065 1.400 10.621 1.00 34.12 H new ATOM 719 N SER A 50 15.293 1.763 11.866 1.00 34.50 N ATOM 720 CA SER A 50 14.075 1.513 12.629 1.00 20.42 C ATOM 721 C SER A 50 13.447 0.182 12.228 1.00 73.51 C ATOM 722 O SER A 50 13.910 -0.480 11.299 1.00 35.41 O ATOM 723 CB SER A 50 13.072 2.648 12.417 1.00 43.22 C ATOM 724 OG SER A 50 12.364 2.481 11.201 1.00 64.44 O ATOM 0 H SER A 50 15.179 1.691 10.855 1.00 34.50 H new ATOM 0 HA SER A 50 14.341 1.466 13.685 1.00 20.42 H new ATOM 0 HB2 SER A 50 12.369 2.677 13.250 1.00 43.22 H new ATOM 0 HB3 SER A 50 13.596 3.604 12.408 1.00 43.22 H new ATOM 0 HG SER A 50 12.725 3.093 10.526 1.00 64.44 H new ATOM 730 N GLU A 51 12.390 -0.203 12.936 1.00 30.32 N ATOM 731 CA GLU A 51 11.698 -1.456 12.654 1.00 23.23 C ATOM 732 C GLU A 51 10.963 -1.384 11.318 1.00 40.22 C ATOM 733 O GLU A 51 10.436 -2.384 10.832 1.00 52.42 O ATOM 734 CB GLU A 51 10.709 -1.781 13.775 1.00 74.31 C ATOM 735 CG GLU A 51 9.823 -0.610 14.164 1.00 31.32 C ATOM 736 CD GLU A 51 8.345 -0.924 14.028 1.00 73.14 C ATOM 737 OE1 GLU A 51 7.889 -1.138 12.885 1.00 65.12 O1- ATOM 738 OE2 GLU A 51 7.648 -0.955 15.062 1.00 52.03 O ATOM 0 H GLU A 51 11.994 0.334 13.708 1.00 30.32 H new ATOM 0 HA GLU A 51 12.444 -2.248 12.596 1.00 23.23 H new ATOM 0 HB2 GLU A 51 10.079 -2.614 13.462 1.00 74.31 H new ATOM 0 HB3 GLU A 51 11.264 -2.113 14.653 1.00 74.31 H new ATOM 0 HG2 GLU A 51 10.036 -0.325 15.194 1.00 31.32 H new ATOM 0 HG3 GLU A 51 10.067 0.249 13.538 1.00 31.32 H new ATOM 745 N SER A 52 10.935 -0.192 10.730 1.00 1.54 N ATOM 746 CA SER A 52 10.262 0.013 9.452 1.00 44.12 C ATOM 747 C SER A 52 11.272 0.075 8.309 1.00 3.03 C ATOM 748 O SER A 52 10.913 0.335 7.162 1.00 54.51 O ATOM 749 CB SER A 52 9.436 1.301 9.487 1.00 55.52 C ATOM 750 OG SER A 52 8.888 1.590 8.213 1.00 34.12 O ATOM 0 H SER A 52 11.370 0.645 11.117 1.00 1.54 H new ATOM 0 HA SER A 52 9.597 -0.833 9.281 1.00 44.12 H new ATOM 0 HB2 SER A 52 8.633 1.202 10.218 1.00 55.52 H new ATOM 0 HB3 SER A 52 10.064 2.130 9.813 1.00 55.52 H new ATOM 0 HG SER A 52 9.309 1.018 7.538 1.00 34.12 H new ATOM 756 N GLY A 53 12.539 -0.167 8.634 1.00 14.45 N ATOM 757 CA GLY A 53 13.582 -0.134 7.627 1.00 40.03 C ATOM 758 C GLY A 53 13.811 1.258 7.074 1.00 14.23 C ATOM 759 O GLY A 53 14.339 1.418 5.974 1.00 21.34 O ATOM 0 H GLY A 53 12.861 -0.385 9.577 1.00 14.45 H new ATOM 0 HA2 GLY A 53 14.511 -0.507 8.058 1.00 40.03 H new ATOM 0 HA3 GLY A 53 13.316 -0.806 6.811 1.00 40.03 H new ATOM 763 N GLU A 54 13.410 2.270 7.837 1.00 31.13 N ATOM 764 CA GLU A 54 13.573 3.656 7.416 1.00 52.11 C ATOM 765 C GLU A 54 14.214 4.490 8.521 1.00 0.31 C ATOM 766 O GLU A 54 13.832 4.393 9.689 1.00 51.32 O ATOM 767 CB GLU A 54 12.220 4.257 7.028 1.00 40.52 C ATOM 768 CG GLU A 54 11.158 4.110 8.105 1.00 10.03 C ATOM 769 CD GLU A 54 9.876 4.844 7.764 1.00 73.01 C ATOM 770 OE1 GLU A 54 9.149 4.379 6.861 1.00 75.13 O1- ATOM 771 OE2 GLU A 54 9.599 5.884 8.398 1.00 31.31 O ATOM 0 H GLU A 54 12.970 2.156 8.750 1.00 31.13 H new ATOM 0 HA GLU A 54 14.231 3.669 6.547 1.00 52.11 H new ATOM 0 HB2 GLU A 54 12.353 5.315 6.803 1.00 40.52 H new ATOM 0 HB3 GLU A 54 11.868 3.778 6.114 1.00 40.52 H new ATOM 0 HG2 GLU A 54 10.939 3.052 8.252 1.00 10.03 H new ATOM 0 HG3 GLU A 54 11.549 4.489 9.049 1.00 10.03 H new ATOM 778 N LEU A 55 15.190 5.309 8.146 1.00 5.54 N ATOM 779 CA LEU A 55 15.886 6.160 9.105 1.00 34.15 C ATOM 780 C LEU A 55 15.470 7.618 8.941 1.00 70.31 C ATOM 781 O LEU A 55 15.803 8.260 7.944 1.00 34.41 O ATOM 782 CB LEU A 55 17.400 6.026 8.932 1.00 4.21 C ATOM 783 CG LEU A 55 18.205 5.804 10.212 1.00 2.23 C ATOM 784 CD1 LEU A 55 19.623 5.367 9.881 1.00 50.42 C ATOM 785 CD2 LEU A 55 18.218 7.066 11.062 1.00 14.12 C ATOM 0 H LEU A 55 15.518 5.402 7.185 1.00 5.54 H new ATOM 0 HA LEU A 55 15.612 5.834 10.108 1.00 34.15 H new ATOM 0 HB2 LEU A 55 17.596 5.195 8.255 1.00 4.21 H new ATOM 0 HB3 LEU A 55 17.771 6.928 8.445 1.00 4.21 H new ATOM 0 HG LEU A 55 17.726 5.010 10.786 1.00 2.23 H new ATOM 0 HD11 LEU A 55 20.181 5.214 10.804 1.00 50.42 H new ATOM 0 HD12 LEU A 55 19.594 4.436 9.316 1.00 50.42 H new ATOM 0 HD13 LEU A 55 20.112 6.138 9.285 1.00 50.42 H new ATOM 0 HD21 LEU A 55 18.796 6.888 11.969 1.00 14.12 H new ATOM 0 HD22 LEU A 55 18.671 7.881 10.497 1.00 14.12 H new ATOM 0 HD23 LEU A 55 17.196 7.335 11.330 1.00 14.12 H new ATOM 797 N HIS A 56 14.743 8.136 9.926 1.00 5.15 N ATOM 798 CA HIS A 56 14.284 9.520 9.892 1.00 13.42 C ATOM 799 C HIS A 56 15.242 10.429 10.656 1.00 51.22 C ATOM 800 O HIS A 56 15.406 10.297 11.868 1.00 34.12 O ATOM 801 CB HIS A 56 12.878 9.628 10.483 1.00 32.12 C ATOM 802 CG HIS A 56 12.335 11.023 10.482 1.00 53.30 C ATOM 803 ND1 HIS A 56 12.602 11.937 11.479 1.00 23.11 N ATOM 804 CD2 HIS A 56 11.533 11.660 9.596 1.00 72.43 C ATOM 805 CE1 HIS A 56 11.989 13.074 11.208 1.00 1.32 C ATOM 806 NE2 HIS A 56 11.334 12.934 10.070 1.00 3.25 N ATOM 0 H HIS A 56 14.459 7.618 10.758 1.00 5.15 H new ATOM 0 HA HIS A 56 14.258 9.843 8.851 1.00 13.42 H new ATOM 0 HB2 HIS A 56 12.204 8.984 9.918 1.00 32.12 H new ATOM 0 HB3 HIS A 56 12.893 9.253 11.506 1.00 32.12 H new ATOM 0 HD2 HIS A 56 11.126 11.244 8.686 1.00 72.43 H new ATOM 0 HE1 HIS A 56 12.018 13.967 11.814 1.00 1.32 H new ATOM 0 HE2 HIS A 56 10.772 13.654 9.617 1.00 3.25 H new ATOM 814 N GLY A 57 15.874 11.353 9.937 1.00 61.41 N ATOM 815 CA GLY A 57 16.808 12.269 10.564 1.00 74.22 C ATOM 816 C GLY A 57 18.045 12.503 9.721 1.00 32.15 C ATOM 817 O GLY A 57 18.732 13.513 9.878 1.00 74.24 O ATOM 0 H GLY A 57 15.755 11.483 8.932 1.00 61.41 H new ATOM 0 HA2 GLY A 57 16.311 13.222 10.746 1.00 74.22 H new ATOM 0 HA3 GLY A 57 17.104 11.873 11.535 1.00 74.22 H new ATOM 821 N LEU A 58 18.333 11.567 8.823 1.00 71.24 N ATOM 822 CA LEU A 58 19.498 11.674 7.952 1.00 13.14 C ATOM 823 C LEU A 58 19.230 12.639 6.802 1.00 72.13 C ATOM 824 O LEU A 58 20.156 13.225 6.238 1.00 54.40 O ATOM 825 CB LEU A 58 19.876 10.299 7.400 1.00 52.25 C ATOM 826 CG LEU A 58 20.068 9.190 8.435 1.00 45.12 C ATOM 827 CD1 LEU A 58 20.604 7.929 7.775 1.00 71.41 C ATOM 828 CD2 LEU A 58 21.004 9.652 9.543 1.00 33.14 C ATOM 0 H LEU A 58 17.775 10.725 8.679 1.00 71.24 H new ATOM 0 HA LEU A 58 20.328 12.062 8.543 1.00 13.14 H new ATOM 0 HB2 LEU A 58 19.102 9.985 6.700 1.00 52.25 H new ATOM 0 HB3 LEU A 58 20.799 10.400 6.830 1.00 52.25 H new ATOM 0 HG LEU A 58 19.098 8.960 8.876 1.00 45.12 H new ATOM 0 HD11 LEU A 58 20.734 7.151 8.528 1.00 71.41 H new ATOM 0 HD12 LEU A 58 19.899 7.587 7.018 1.00 71.41 H new ATOM 0 HD13 LEU A 58 21.564 8.144 7.306 1.00 71.41 H new ATOM 0 HD21 LEU A 58 21.130 8.851 10.271 1.00 33.14 H new ATOM 0 HD22 LEU A 58 21.973 9.910 9.116 1.00 33.14 H new ATOM 0 HD23 LEU A 58 20.580 10.527 10.036 1.00 33.14 H new ATOM 840 N THR A 59 17.956 12.804 6.457 1.00 63.43 N ATOM 841 CA THR A 59 17.565 13.699 5.376 1.00 22.11 C ATOM 842 C THR A 59 18.160 15.089 5.571 1.00 64.24 C ATOM 843 O THR A 59 18.008 15.698 6.630 1.00 72.41 O ATOM 844 CB THR A 59 16.033 13.819 5.271 1.00 73.42 C ATOM 845 OG1 THR A 59 15.485 14.206 6.537 1.00 35.32 O ATOM 846 CG2 THR A 59 15.416 12.501 4.828 1.00 74.22 C ATOM 0 H THR A 59 17.177 12.328 6.912 1.00 63.43 H new ATOM 0 HA THR A 59 17.952 13.267 4.453 1.00 22.11 H new ATOM 0 HB THR A 59 15.800 14.580 4.526 1.00 73.42 H new ATOM 0 HG1 THR A 59 16.115 14.798 6.999 1.00 35.32 H new ATOM 0 HG21 THR A 59 14.334 12.610 4.761 1.00 74.22 H new ATOM 0 HG22 THR A 59 15.814 12.223 3.852 1.00 74.22 H new ATOM 0 HG23 THR A 59 15.658 11.724 5.553 1.00 74.22 H new ATOM 854 N THR A 60 18.838 15.587 4.541 1.00 12.24 N ATOM 855 CA THR A 60 19.457 16.905 4.600 1.00 43.44 C ATOM 856 C THR A 60 19.558 17.527 3.211 1.00 34.10 C ATOM 857 O THR A 60 19.420 16.837 2.202 1.00 22.23 O ATOM 858 CB THR A 60 20.863 16.840 5.224 1.00 21.12 C ATOM 859 OG1 THR A 60 21.644 15.834 4.568 1.00 74.34 O ATOM 860 CG2 THR A 60 20.781 16.534 6.712 1.00 41.12 C ATOM 0 H THR A 60 18.972 15.097 3.656 1.00 12.24 H new ATOM 0 HA THR A 60 18.818 17.525 5.229 1.00 43.44 H new ATOM 0 HB THR A 60 21.339 17.812 5.094 1.00 21.12 H new ATOM 0 HG1 THR A 60 22.537 15.800 4.970 1.00 74.34 H new ATOM 0 HG21 THR A 60 21.786 16.493 7.131 1.00 41.12 H new ATOM 0 HG22 THR A 60 20.211 17.316 7.213 1.00 41.12 H new ATOM 0 HG23 THR A 60 20.287 15.574 6.859 1.00 41.12 H new ATOM 868 N GLU A 61 19.801 18.833 3.169 1.00 14.50 N ATOM 869 CA GLU A 61 19.921 19.546 1.902 1.00 24.54 C ATOM 870 C GLU A 61 21.150 19.081 1.129 1.00 54.52 C ATOM 871 O GLU A 61 21.290 19.359 -0.061 1.00 63.11 O ATOM 872 CB GLU A 61 20.000 21.055 2.147 1.00 35.23 C ATOM 873 CG GLU A 61 21.095 21.457 3.120 1.00 25.21 C ATOM 874 CD GLU A 61 21.269 22.960 3.215 1.00 70.35 C ATOM 875 OE1 GLU A 61 20.359 23.691 2.769 1.00 33.30 O ATOM 876 OE2 GLU A 61 22.313 23.407 3.734 1.00 13.54 O1- ATOM 0 H GLU A 61 19.919 19.418 3.996 1.00 14.50 H new ATOM 0 HA GLU A 61 19.035 19.327 1.306 1.00 24.54 H new ATOM 0 HB2 GLU A 61 20.167 21.561 1.196 1.00 35.23 H new ATOM 0 HB3 GLU A 61 19.040 21.403 2.529 1.00 35.23 H new ATOM 0 HG2 GLU A 61 20.862 21.059 4.108 1.00 25.21 H new ATOM 0 HG3 GLU A 61 22.037 21.005 2.808 1.00 25.21 H new ATOM 883 N GLU A 62 22.039 18.370 1.816 1.00 72.32 N ATOM 884 CA GLU A 62 23.259 17.865 1.194 1.00 31.42 C ATOM 885 C GLU A 62 22.941 16.767 0.184 1.00 1.45 C ATOM 886 O GLU A 62 23.802 16.356 -0.592 1.00 71.41 O ATOM 887 CB GLU A 62 24.218 17.332 2.260 1.00 1.21 C ATOM 888 CG GLU A 62 25.108 18.401 2.870 1.00 10.03 C ATOM 889 CD GLU A 62 24.359 19.689 3.154 1.00 2.43 C ATOM 890 OE1 GLU A 62 24.228 20.516 2.227 1.00 32.10 O1- ATOM 891 OE2 GLU A 62 23.904 19.872 4.303 1.00 75.13 O ATOM 0 H GLU A 62 21.938 18.131 2.802 1.00 72.32 H new ATOM 0 HA GLU A 62 23.736 18.691 0.667 1.00 31.42 H new ATOM 0 HB2 GLU A 62 23.639 16.858 3.053 1.00 1.21 H new ATOM 0 HB3 GLU A 62 24.846 16.558 1.817 1.00 1.21 H new ATOM 0 HG2 GLU A 62 25.540 18.024 3.797 1.00 10.03 H new ATOM 0 HG3 GLU A 62 25.937 18.608 2.193 1.00 10.03 H new ATOM 898 N GLU A 63 21.697 16.297 0.203 1.00 1.55 N ATOM 899 CA GLU A 63 21.266 15.245 -0.711 1.00 2.15 C ATOM 900 C GLU A 63 21.287 15.736 -2.155 1.00 33.05 C ATOM 901 O GLU A 63 21.213 14.943 -3.094 1.00 33.04 O ATOM 902 CB GLU A 63 19.859 14.766 -0.344 1.00 4.33 C ATOM 903 CG GLU A 63 18.792 15.836 -0.501 1.00 54.34 C ATOM 904 CD GLU A 63 17.548 15.543 0.316 1.00 22.40 C ATOM 905 OE1 GLU A 63 17.623 14.692 1.227 1.00 61.14 O ATOM 906 OE2 GLU A 63 16.500 16.165 0.044 1.00 12.13 O1- ATOM 0 H GLU A 63 20.972 16.627 0.840 1.00 1.55 H new ATOM 0 HA GLU A 63 21.962 14.411 -0.619 1.00 2.15 H new ATOM 0 HB2 GLU A 63 19.600 13.912 -0.970 1.00 4.33 H new ATOM 0 HB3 GLU A 63 19.861 14.416 0.688 1.00 4.33 H new ATOM 0 HG2 GLU A 63 19.202 16.800 -0.199 1.00 54.34 H new ATOM 0 HG3 GLU A 63 18.520 15.921 -1.553 1.00 54.34 H new ATOM 913 N PHE A 64 21.387 17.051 -2.326 1.00 14.24 N ATOM 914 CA PHE A 64 21.417 17.649 -3.655 1.00 42.31 C ATOM 915 C PHE A 64 22.837 17.666 -4.214 1.00 11.50 C ATOM 916 O PHE A 64 23.339 18.708 -4.632 1.00 32.43 O ATOM 917 CB PHE A 64 20.859 19.073 -3.609 1.00 12.40 C ATOM 918 CG PHE A 64 19.359 19.130 -3.653 1.00 41.53 C ATOM 919 CD1 PHE A 64 18.667 18.685 -4.767 1.00 43.22 C ATOM 920 CD2 PHE A 64 18.640 19.630 -2.578 1.00 45.43 C ATOM 921 CE1 PHE A 64 17.286 18.737 -4.810 1.00 2.15 C ATOM 922 CE2 PHE A 64 17.259 19.683 -2.614 1.00 42.01 C ATOM 923 CZ PHE A 64 16.582 19.237 -3.733 1.00 13.33 C ATOM 0 H PHE A 64 21.449 17.722 -1.560 1.00 14.24 H new ATOM 0 HA PHE A 64 20.794 17.042 -4.312 1.00 42.31 H new ATOM 0 HB2 PHE A 64 21.207 19.562 -2.699 1.00 12.40 H new ATOM 0 HB3 PHE A 64 21.261 19.640 -4.449 1.00 12.40 H new ATOM 0 HD1 PHE A 64 19.213 18.293 -5.612 1.00 43.22 H new ATOM 0 HD2 PHE A 64 19.165 19.982 -1.702 1.00 45.43 H new ATOM 0 HE1 PHE A 64 16.759 18.387 -5.685 1.00 2.15 H new ATOM 0 HE2 PHE A 64 16.710 20.072 -1.769 1.00 42.01 H new ATOM 0 HZ PHE A 64 15.503 19.280 -3.765 1.00 13.33 H new ATOM 933 N VAL A 65 23.479 16.501 -4.215 1.00 14.35 N ATOM 934 CA VAL A 65 24.841 16.380 -4.722 1.00 53.13 C ATOM 935 C VAL A 65 24.883 15.535 -5.989 1.00 62.20 C ATOM 936 O VAL A 65 23.847 15.097 -6.489 1.00 61.02 O ATOM 937 CB VAL A 65 25.778 15.756 -3.670 1.00 52.31 C ATOM 938 CG1 VAL A 65 25.960 16.700 -2.490 1.00 53.55 C ATOM 939 CG2 VAL A 65 25.238 14.411 -3.208 1.00 75.10 C ATOM 0 H VAL A 65 23.078 15.629 -3.871 1.00 14.35 H new ATOM 0 HA VAL A 65 25.184 17.389 -4.951 1.00 53.13 H new ATOM 0 HB VAL A 65 26.753 15.593 -4.128 1.00 52.31 H new ATOM 0 HG11 VAL A 65 26.625 16.243 -1.757 1.00 53.55 H new ATOM 0 HG12 VAL A 65 26.394 17.638 -2.838 1.00 53.55 H new ATOM 0 HG13 VAL A 65 24.992 16.897 -2.029 1.00 53.55 H new ATOM 0 HG21 VAL A 65 25.912 13.984 -2.465 1.00 75.10 H new ATOM 0 HG22 VAL A 65 24.251 14.547 -2.767 1.00 75.10 H new ATOM 0 HG23 VAL A 65 25.164 13.736 -4.061 1.00 75.10 H new ATOM 949 N GLU A 66 26.088 15.307 -6.503 1.00 2.51 N ATOM 950 CA GLU A 66 26.264 14.514 -7.713 1.00 74.43 C ATOM 951 C GLU A 66 25.512 13.190 -7.609 1.00 23.21 C ATOM 952 O GLU A 66 24.805 12.791 -8.534 1.00 2.04 O ATOM 953 CB GLU A 66 27.750 14.251 -7.965 1.00 20.43 C ATOM 954 CG GLU A 66 28.524 15.488 -8.387 1.00 34.14 C ATOM 955 CD GLU A 66 29.610 15.180 -9.400 1.00 41.54 C ATOM 956 OE1 GLU A 66 29.287 14.591 -10.453 1.00 10.42 O1- ATOM 957 OE2 GLU A 66 30.780 15.527 -9.140 1.00 71.33 O ATOM 0 H GLU A 66 26.956 15.660 -6.100 1.00 2.51 H new ATOM 0 HA GLU A 66 25.856 15.079 -8.551 1.00 74.43 H new ATOM 0 HB2 GLU A 66 28.197 13.845 -7.058 1.00 20.43 H new ATOM 0 HB3 GLU A 66 27.849 13.489 -8.738 1.00 20.43 H new ATOM 0 HG2 GLU A 66 27.833 16.217 -8.811 1.00 34.14 H new ATOM 0 HG3 GLU A 66 28.973 15.949 -7.507 1.00 34.14 H new ATOM 964 N GLY A 67 25.673 12.512 -6.477 1.00 71.33 N ATOM 965 CA GLY A 67 25.004 11.240 -6.272 1.00 61.34 C ATOM 966 C GLY A 67 25.840 10.270 -5.463 1.00 70.12 C ATOM 967 O GLY A 67 25.341 9.238 -5.010 1.00 52.23 O ATOM 0 H GLY A 67 26.255 12.821 -5.698 1.00 71.33 H new ATOM 0 HA2 GLY A 67 24.055 11.410 -5.763 1.00 61.34 H new ATOM 0 HA3 GLY A 67 24.771 10.795 -7.240 1.00 61.34 H new ATOM 971 N ILE A 68 27.115 10.597 -5.281 1.00 31.34 N ATOM 972 CA ILE A 68 28.022 9.746 -4.521 1.00 24.21 C ATOM 973 C ILE A 68 27.646 9.725 -3.043 1.00 41.21 C ATOM 974 O ILE A 68 27.558 10.772 -2.400 1.00 52.24 O ATOM 975 CB ILE A 68 29.483 10.211 -4.663 1.00 2.11 C ATOM 976 CG1 ILE A 68 29.845 10.382 -6.139 1.00 53.05 C ATOM 977 CG2 ILE A 68 30.421 9.220 -3.991 1.00 43.11 C ATOM 978 CD1 ILE A 68 31.190 11.040 -6.359 1.00 24.51 C ATOM 0 H ILE A 68 27.543 11.446 -5.650 1.00 31.34 H new ATOM 0 HA ILE A 68 27.930 8.740 -4.931 1.00 24.21 H new ATOM 0 HB ILE A 68 29.592 11.176 -4.169 1.00 2.11 H new ATOM 0 HG12 ILE A 68 29.845 9.404 -6.620 1.00 53.05 H new ATOM 0 HG13 ILE A 68 29.074 10.978 -6.627 1.00 53.05 H new ATOM 0 HG21 ILE A 68 31.450 9.562 -4.100 1.00 43.11 H new ATOM 0 HG22 ILE A 68 30.173 9.145 -2.932 1.00 43.11 H new ATOM 0 HG23 ILE A 68 30.313 8.242 -4.459 1.00 43.11 H new ATOM 0 HD11 ILE A 68 31.381 11.129 -7.428 1.00 24.51 H new ATOM 0 HD12 ILE A 68 31.188 12.032 -5.907 1.00 24.51 H new ATOM 0 HD13 ILE A 68 31.971 10.434 -5.900 1.00 24.51 H new ATOM 990 N TYR A 69 27.431 8.528 -2.510 1.00 43.21 N ATOM 991 CA TYR A 69 27.065 8.370 -1.108 1.00 1.03 C ATOM 992 C TYR A 69 27.713 7.125 -0.512 1.00 42.24 C ATOM 993 O TYR A 69 27.679 6.048 -1.107 1.00 25.42 O ATOM 994 CB TYR A 69 25.545 8.288 -0.960 1.00 41.35 C ATOM 995 CG TYR A 69 24.818 9.506 -1.485 1.00 60.55 C ATOM 996 CD1 TYR A 69 25.059 10.766 -0.952 1.00 42.53 C ATOM 997 CD2 TYR A 69 23.892 9.397 -2.515 1.00 31.35 C ATOM 998 CE1 TYR A 69 24.398 11.882 -1.428 1.00 61.22 C ATOM 999 CE2 TYR A 69 23.227 10.507 -2.999 1.00 73.53 C ATOM 1000 CZ TYR A 69 23.483 11.747 -2.451 1.00 22.23 C ATOM 1001 OH TYR A 69 22.823 12.856 -2.929 1.00 34.52 O ATOM 0 H TYR A 69 27.504 7.652 -3.028 1.00 43.21 H new ATOM 0 HA TYR A 69 27.429 9.242 -0.565 1.00 1.03 H new ATOM 0 HB2 TYR A 69 25.184 7.405 -1.487 1.00 41.35 H new ATOM 0 HB3 TYR A 69 25.298 8.154 0.093 1.00 41.35 H new ATOM 0 HD1 TYR A 69 25.776 10.875 -0.151 1.00 42.53 H new ATOM 0 HD2 TYR A 69 23.688 8.427 -2.945 1.00 31.35 H new ATOM 0 HE1 TYR A 69 24.597 12.854 -1.002 1.00 61.22 H new ATOM 0 HE2 TYR A 69 22.511 10.405 -3.801 1.00 73.53 H new ATOM 0 HH TYR A 69 22.098 13.096 -2.314 1.00 34.52 H new ATOM 1011 N LYS A 70 28.304 7.280 0.668 1.00 53.02 N ATOM 1012 CA LYS A 70 28.959 6.168 1.348 1.00 22.35 C ATOM 1013 C LYS A 70 28.336 5.925 2.719 1.00 44.40 C ATOM 1014 O LYS A 70 28.590 6.668 3.668 1.00 32.24 O ATOM 1015 CB LYS A 70 30.456 6.448 1.498 1.00 11.12 C ATOM 1016 CG LYS A 70 31.197 6.518 0.175 1.00 64.32 C ATOM 1017 CD LYS A 70 31.188 7.928 -0.394 1.00 64.11 C ATOM 1018 CE LYS A 70 32.458 8.683 -0.033 1.00 50.51 C ATOM 1019 NZ LYS A 70 33.454 8.656 -1.139 1.00 34.32 N1+ ATOM 0 H LYS A 70 28.343 8.165 1.174 1.00 53.02 H new ATOM 0 HA LYS A 70 28.821 5.272 0.743 1.00 22.35 H new ATOM 0 HB2 LYS A 70 30.589 7.390 2.030 1.00 11.12 H new ATOM 0 HB3 LYS A 70 30.903 5.668 2.114 1.00 11.12 H new ATOM 0 HG2 LYS A 70 32.226 6.188 0.315 1.00 64.32 H new ATOM 0 HG3 LYS A 70 30.737 5.834 -0.538 1.00 64.32 H new ATOM 0 HD2 LYS A 70 31.086 7.883 -1.478 1.00 64.11 H new ATOM 0 HD3 LYS A 70 30.321 8.469 -0.014 1.00 64.11 H new ATOM 0 HE2 LYS A 70 32.210 9.717 0.207 1.00 50.51 H new ATOM 0 HE3 LYS A 70 32.898 8.245 0.863 1.00 50.51 H new ATOM 0 HZ1 LYS A 70 34.379 8.361 -0.766 1.00 34.32 H new ATOM 0 HZ2 LYS A 70 33.144 7.983 -1.869 1.00 34.32 H new ATOM 0 HZ3 LYS A 70 33.536 9.605 -1.556 1.00 34.32 H new ATOM 1033 N VAL A 71 27.519 4.882 2.817 1.00 65.12 N ATOM 1034 CA VAL A 71 26.862 4.539 4.073 1.00 43.30 C ATOM 1035 C VAL A 71 27.550 3.359 4.750 1.00 4.12 C ATOM 1036 O VAL A 71 27.880 2.367 4.103 1.00 32.12 O ATOM 1037 CB VAL A 71 25.376 4.196 3.854 1.00 43.54 C ATOM 1038 CG1 VAL A 71 24.723 3.792 5.166 1.00 72.13 C ATOM 1039 CG2 VAL A 71 24.645 5.373 3.225 1.00 13.51 C ATOM 0 H VAL A 71 27.296 4.259 2.041 1.00 65.12 H new ATOM 0 HA VAL A 71 26.934 5.416 4.717 1.00 43.30 H new ATOM 0 HB VAL A 71 25.313 3.351 3.169 1.00 43.54 H new ATOM 0 HG11 VAL A 71 23.674 3.553 4.992 1.00 72.13 H new ATOM 0 HG12 VAL A 71 25.232 2.917 5.571 1.00 72.13 H new ATOM 0 HG13 VAL A 71 24.795 4.615 5.877 1.00 72.13 H new ATOM 0 HG21 VAL A 71 23.597 5.113 3.077 1.00 13.51 H new ATOM 0 HG22 VAL A 71 24.715 6.239 3.883 1.00 13.51 H new ATOM 0 HG23 VAL A 71 25.099 5.611 2.263 1.00 13.51 H new ATOM 1049 N GLU A 72 27.764 3.476 6.057 1.00 21.11 N ATOM 1050 CA GLU A 72 28.414 2.419 6.822 1.00 23.21 C ATOM 1051 C GLU A 72 27.529 1.961 7.978 1.00 64.10 C ATOM 1052 O GLU A 72 26.911 2.778 8.661 1.00 4.11 O ATOM 1053 CB GLU A 72 29.763 2.902 7.358 1.00 23.23 C ATOM 1054 CG GLU A 72 29.663 3.647 8.678 1.00 11.22 C ATOM 1055 CD GLU A 72 30.791 4.639 8.876 1.00 2.12 C ATOM 1056 OE1 GLU A 72 31.232 5.244 7.876 1.00 13.44 O ATOM 1057 OE2 GLU A 72 31.234 4.811 10.032 1.00 15.25 O1- ATOM 0 H GLU A 72 27.497 4.292 6.608 1.00 21.11 H new ATOM 0 HA GLU A 72 28.579 1.572 6.156 1.00 23.21 H new ATOM 0 HB2 GLU A 72 30.422 2.043 7.484 1.00 23.23 H new ATOM 0 HB3 GLU A 72 30.226 3.554 6.617 1.00 23.23 H new ATOM 0 HG2 GLU A 72 28.710 4.174 8.722 1.00 11.22 H new ATOM 0 HG3 GLU A 72 29.668 2.928 9.498 1.00 11.22 H new ATOM 1064 N ILE A 73 27.474 0.651 8.190 1.00 64.22 N ATOM 1065 CA ILE A 73 26.666 0.085 9.263 1.00 54.32 C ATOM 1066 C ILE A 73 27.541 -0.596 10.310 1.00 14.42 C ATOM 1067 O ILE A 73 28.454 -1.351 9.974 1.00 11.03 O ATOM 1068 CB ILE A 73 25.645 -0.933 8.722 1.00 65.52 C ATOM 1069 CG1 ILE A 73 24.703 -0.261 7.721 1.00 2.33 C ATOM 1070 CG2 ILE A 73 24.856 -1.552 9.867 1.00 24.31 C ATOM 1071 CD1 ILE A 73 24.499 -1.062 6.454 1.00 1.34 C ATOM 0 H ILE A 73 27.979 -0.038 7.633 1.00 64.22 H new ATOM 0 HA ILE A 73 26.130 0.914 9.725 1.00 54.32 H new ATOM 0 HB ILE A 73 26.185 -1.728 8.207 1.00 65.52 H new ATOM 0 HG12 ILE A 73 23.736 -0.097 8.197 1.00 2.33 H new ATOM 0 HG13 ILE A 73 25.101 0.720 7.461 1.00 2.33 H new ATOM 0 HG21 ILE A 73 24.139 -2.269 9.468 1.00 24.31 H new ATOM 0 HG22 ILE A 73 25.539 -2.062 10.546 1.00 24.31 H new ATOM 0 HG23 ILE A 73 24.324 -0.769 10.407 1.00 24.31 H new ATOM 0 HD11 ILE A 73 23.820 -0.526 5.790 1.00 1.34 H new ATOM 0 HD12 ILE A 73 25.458 -1.204 5.955 1.00 1.34 H new ATOM 0 HD13 ILE A 73 24.072 -2.033 6.703 1.00 1.34 H new ATOM 1083 N ASP A 74 27.255 -0.326 11.579 1.00 44.44 N ATOM 1084 CA ASP A 74 28.014 -0.916 12.675 1.00 10.11 C ATOM 1085 C ASP A 74 27.226 -2.041 13.340 1.00 13.42 C ATOM 1086 O ASP A 74 26.415 -1.801 14.234 1.00 64.24 O ATOM 1087 CB ASP A 74 28.371 0.153 13.710 1.00 20.22 C ATOM 1088 CG ASP A 74 29.868 0.338 13.858 1.00 1.12 C ATOM 1089 OD1 ASP A 74 30.564 0.406 12.823 1.00 11.04 O ATOM 1090 OD2 ASP A 74 30.344 0.415 15.009 1.00 62.12 O1- ATOM 0 H ASP A 74 26.503 0.297 11.874 1.00 44.44 H new ATOM 0 HA ASP A 74 28.932 -1.334 12.263 1.00 10.11 H new ATOM 0 HB2 ASP A 74 27.918 1.101 13.420 1.00 20.22 H new ATOM 0 HB3 ASP A 74 27.945 -0.123 14.675 1.00 20.22 H new ATOM 1095 N THR A 75 27.469 -3.270 12.894 1.00 2.21 N ATOM 1096 CA THR A 75 26.780 -4.431 13.443 1.00 43.11 C ATOM 1097 C THR A 75 27.430 -4.892 14.743 1.00 52.03 C ATOM 1098 O THR A 75 26.851 -5.678 15.494 1.00 42.55 O ATOM 1099 CB THR A 75 26.771 -5.603 12.443 1.00 63.11 C ATOM 1100 OG1 THR A 75 28.111 -5.928 12.058 1.00 13.12 O ATOM 1101 CG2 THR A 75 25.953 -5.255 11.209 1.00 71.34 C ATOM 0 H THR A 75 28.137 -3.486 12.155 1.00 2.21 H new ATOM 0 HA THR A 75 25.753 -4.125 13.642 1.00 43.11 H new ATOM 0 HB THR A 75 26.315 -6.465 12.930 1.00 63.11 H new ATOM 0 HG1 THR A 75 28.136 -6.839 11.696 1.00 13.12 H new ATOM 0 HG21 THR A 75 25.961 -6.098 10.518 1.00 71.34 H new ATOM 0 HG22 THR A 75 24.926 -5.037 11.503 1.00 71.34 H new ATOM 0 HG23 THR A 75 26.384 -4.381 10.721 1.00 71.34 H new ATOM 1109 N LYS A 76 28.635 -4.398 15.005 1.00 11.51 N ATOM 1110 CA LYS A 76 29.363 -4.756 16.215 1.00 2.32 C ATOM 1111 C LYS A 76 28.486 -4.581 17.450 1.00 63.31 C ATOM 1112 O LYS A 76 28.514 -5.404 18.365 1.00 10.13 O ATOM 1113 CB LYS A 76 30.625 -3.900 16.348 1.00 70.33 C ATOM 1114 CG LYS A 76 30.343 -2.413 16.453 1.00 30.31 C ATOM 1115 CD LYS A 76 30.276 -1.959 17.902 1.00 0.13 C ATOM 1116 CE LYS A 76 31.664 -1.707 18.472 1.00 10.32 C ATOM 1117 NZ LYS A 76 31.651 -0.642 19.514 1.00 64.52 N1+ ATOM 0 H LYS A 76 29.128 -3.747 14.394 1.00 11.51 H new ATOM 0 HA LYS A 76 29.649 -5.805 16.139 1.00 2.32 H new ATOM 0 HB2 LYS A 76 31.179 -4.219 17.231 1.00 70.33 H new ATOM 0 HB3 LYS A 76 31.268 -4.079 15.486 1.00 70.33 H new ATOM 0 HG2 LYS A 76 31.122 -1.856 15.932 1.00 30.31 H new ATOM 0 HG3 LYS A 76 29.401 -2.184 15.955 1.00 30.31 H new ATOM 0 HD2 LYS A 76 29.682 -1.048 17.972 1.00 0.13 H new ATOM 0 HD3 LYS A 76 29.769 -2.717 18.499 1.00 0.13 H new ATOM 0 HE2 LYS A 76 32.053 -2.630 18.901 1.00 10.32 H new ATOM 0 HE3 LYS A 76 32.340 -1.419 17.667 1.00 10.32 H new ATOM 0 HZ1 LYS A 76 32.615 -0.500 19.877 1.00 64.52 H new ATOM 0 HZ2 LYS A 76 31.303 0.246 19.099 1.00 64.52 H new ATOM 0 HZ3 LYS A 76 31.025 -0.927 20.294 1.00 64.52 H new ATOM 1131 N SER A 77 27.707 -3.504 17.469 1.00 12.32 N ATOM 1132 CA SER A 77 26.822 -3.222 18.594 1.00 40.54 C ATOM 1133 C SER A 77 25.446 -3.839 18.371 1.00 72.24 C ATOM 1134 O SER A 77 24.643 -3.947 19.298 1.00 3.31 O ATOM 1135 CB SER A 77 26.688 -1.711 18.796 1.00 24.54 C ATOM 1136 OG SER A 77 25.764 -1.414 19.829 1.00 62.42 O ATOM 0 H SER A 77 27.670 -2.813 16.719 1.00 12.32 H new ATOM 0 HA SER A 77 27.259 -3.665 19.489 1.00 40.54 H new ATOM 0 HB2 SER A 77 27.661 -1.286 19.041 1.00 24.54 H new ATOM 0 HB3 SER A 77 26.362 -1.244 17.867 1.00 24.54 H new ATOM 0 HG SER A 77 25.698 -0.442 19.939 1.00 62.42 H new ATOM 1142 N TYR A 78 25.179 -4.246 17.135 1.00 33.14 N ATOM 1143 CA TYR A 78 23.899 -4.852 16.787 1.00 43.04 C ATOM 1144 C TYR A 78 23.835 -6.300 17.264 1.00 22.45 C ATOM 1145 O TYR A 78 22.797 -6.763 17.737 1.00 1.02 O ATOM 1146 CB TYR A 78 23.675 -4.790 15.275 1.00 4.32 C ATOM 1147 CG TYR A 78 22.379 -5.431 14.829 1.00 61.13 C ATOM 1148 CD1 TYR A 78 21.154 -4.947 15.270 1.00 50.52 C ATOM 1149 CD2 TYR A 78 22.382 -6.519 13.966 1.00 52.42 C ATOM 1150 CE1 TYR A 78 19.969 -5.530 14.866 1.00 70.55 C ATOM 1151 CE2 TYR A 78 21.201 -7.107 13.554 1.00 61.52 C ATOM 1152 CZ TYR A 78 19.998 -6.609 14.007 1.00 70.05 C ATOM 1153 OH TYR A 78 18.819 -7.192 13.601 1.00 34.34 O ATOM 0 H TYR A 78 25.833 -4.167 16.356 1.00 33.14 H new ATOM 0 HA TYR A 78 23.111 -4.289 17.287 1.00 43.04 H new ATOM 0 HB2 TYR A 78 23.683 -3.747 14.957 1.00 4.32 H new ATOM 0 HB3 TYR A 78 24.507 -5.283 14.772 1.00 4.32 H new ATOM 0 HD1 TYR A 78 21.128 -4.100 15.940 1.00 50.52 H new ATOM 0 HD2 TYR A 78 23.323 -6.912 13.611 1.00 52.42 H new ATOM 0 HE1 TYR A 78 19.025 -5.143 15.221 1.00 70.55 H new ATOM 0 HE2 TYR A 78 21.221 -7.952 12.881 1.00 61.52 H new ATOM 0 HH TYR A 78 18.972 -8.141 13.411 1.00 34.34 H new ATOM 1163 N TRP A 79 24.951 -7.007 17.137 1.00 42.11 N ATOM 1164 CA TRP A 79 25.022 -8.403 17.554 1.00 34.33 C ATOM 1165 C TRP A 79 25.190 -8.510 19.066 1.00 45.25 C ATOM 1166 O TRP A 79 24.880 -9.542 19.663 1.00 50.44 O ATOM 1167 CB TRP A 79 26.183 -9.108 16.848 1.00 11.24 C ATOM 1168 CG TRP A 79 27.518 -8.821 17.467 1.00 33.12 C ATOM 1169 CD1 TRP A 79 28.441 -7.912 17.035 1.00 13.21 C ATOM 1170 CD2 TRP A 79 28.077 -9.445 18.627 1.00 23.44 C ATOM 1171 NE1 TRP A 79 29.543 -7.934 17.857 1.00 13.32 N ATOM 1172 CE2 TRP A 79 29.343 -8.865 18.842 1.00 40.35 C ATOM 1173 CE3 TRP A 79 27.631 -10.435 19.507 1.00 60.30 C ATOM 1174 CZ2 TRP A 79 30.166 -9.247 19.898 1.00 71.44 C ATOM 1175 CZ3 TRP A 79 28.449 -10.812 20.555 1.00 22.15 C ATOM 1176 CH2 TRP A 79 29.705 -10.218 20.744 1.00 55.42 C ATOM 0 H TRP A 79 25.819 -6.638 16.749 1.00 42.11 H new ATOM 0 HA TRP A 79 24.087 -8.889 17.275 1.00 34.33 H new ATOM 0 HB2 TRP A 79 26.008 -10.184 16.862 1.00 11.24 H new ATOM 0 HB3 TRP A 79 26.202 -8.802 15.802 1.00 11.24 H new ATOM 0 HD1 TRP A 79 28.323 -7.270 16.174 1.00 13.21 H new ATOM 0 HE1 TRP A 79 30.374 -7.352 17.751 1.00 13.32 H new ATOM 0 HE3 TRP A 79 26.664 -10.897 19.370 1.00 60.30 H new ATOM 0 HZ2 TRP A 79 31.135 -8.792 20.044 1.00 71.44 H new ATOM 0 HZ3 TRP A 79 28.115 -11.577 21.240 1.00 22.15 H new ATOM 0 HH2 TRP A 79 30.320 -10.533 21.574 1.00 55.42 H new ATOM 1187 N LYS A 80 25.682 -7.440 19.680 1.00 50.41 N ATOM 1188 CA LYS A 80 25.889 -7.413 21.123 1.00 54.32 C ATOM 1189 C LYS A 80 24.610 -7.007 21.849 1.00 54.00 C ATOM 1190 O LYS A 80 24.466 -7.238 23.049 1.00 50.04 O ATOM 1191 CB LYS A 80 27.019 -6.445 21.479 1.00 61.21 C ATOM 1192 CG LYS A 80 26.553 -5.012 21.678 1.00 73.40 C ATOM 1193 CD LYS A 80 26.305 -4.705 23.145 1.00 71.12 C ATOM 1194 CE LYS A 80 27.581 -4.260 23.844 1.00 24.41 C ATOM 1195 NZ LYS A 80 27.745 -2.780 23.809 1.00 51.34 N1+ ATOM 0 H LYS A 80 25.945 -6.579 19.200 1.00 50.41 H new ATOM 0 HA LYS A 80 26.165 -8.418 21.444 1.00 54.32 H new ATOM 0 HB2 LYS A 80 27.507 -6.789 22.391 1.00 61.21 H new ATOM 0 HB3 LYS A 80 27.768 -6.468 20.688 1.00 61.21 H new ATOM 0 HG2 LYS A 80 27.303 -4.326 21.284 1.00 73.40 H new ATOM 0 HG3 LYS A 80 25.638 -4.844 21.110 1.00 73.40 H new ATOM 0 HD2 LYS A 80 25.550 -3.924 23.232 1.00 71.12 H new ATOM 0 HD3 LYS A 80 25.907 -5.590 23.641 1.00 71.12 H new ATOM 0 HE2 LYS A 80 27.565 -4.599 24.880 1.00 24.41 H new ATOM 0 HE3 LYS A 80 28.440 -4.732 23.367 1.00 24.41 H new ATOM 0 HZ1 LYS A 80 28.626 -2.517 24.295 1.00 51.34 H new ATOM 0 HZ2 LYS A 80 27.786 -2.459 22.821 1.00 51.34 H new ATOM 0 HZ3 LYS A 80 26.938 -2.330 24.286 1.00 51.34 H new ATOM 1209 N ALA A 81 23.683 -6.402 21.112 1.00 25.51 N ATOM 1210 CA ALA A 81 22.415 -5.967 21.685 1.00 23.43 C ATOM 1211 C ALA A 81 21.375 -7.080 21.623 1.00 74.11 C ATOM 1212 O ALA A 81 20.666 -7.337 22.596 1.00 11.21 O ATOM 1213 CB ALA A 81 21.909 -4.727 20.965 1.00 4.11 C ATOM 0 H ALA A 81 23.787 -6.202 20.117 1.00 25.51 H new ATOM 0 HA ALA A 81 22.583 -5.721 22.734 1.00 23.43 H new ATOM 0 HB1 ALA A 81 20.962 -4.413 21.403 1.00 4.11 H new ATOM 0 HB2 ALA A 81 22.639 -3.924 21.066 1.00 4.11 H new ATOM 0 HB3 ALA A 81 21.763 -4.954 19.909 1.00 4.11 H new ATOM 1219 N LEU A 82 21.286 -7.737 20.471 1.00 72.45 N ATOM 1220 CA LEU A 82 20.331 -8.823 20.281 1.00 71.44 C ATOM 1221 C LEU A 82 20.991 -10.177 20.517 1.00 25.04 C ATOM 1222 O LEU A 82 20.318 -11.204 20.588 1.00 54.03 O ATOM 1223 CB LEU A 82 19.741 -8.769 18.871 1.00 34.13 C ATOM 1224 CG LEU A 82 18.991 -7.487 18.505 1.00 12.53 C ATOM 1225 CD1 LEU A 82 18.195 -6.977 19.696 1.00 33.35 C ATOM 1226 CD2 LEU A 82 19.961 -6.423 18.015 1.00 33.50 C ATOM 0 H LEU A 82 21.864 -7.536 19.655 1.00 72.45 H new ATOM 0 HA LEU A 82 19.529 -8.699 21.009 1.00 71.44 H new ATOM 0 HB2 LEU A 82 20.550 -8.910 18.155 1.00 34.13 H new ATOM 0 HB3 LEU A 82 19.060 -9.611 18.751 1.00 34.13 H new ATOM 0 HG LEU A 82 18.294 -7.714 17.698 1.00 12.53 H new ATOM 0 HD11 LEU A 82 17.668 -6.064 19.417 1.00 33.35 H new ATOM 0 HD12 LEU A 82 17.473 -7.734 20.002 1.00 33.35 H new ATOM 0 HD13 LEU A 82 18.873 -6.766 20.523 1.00 33.35 H new ATOM 0 HD21 LEU A 82 19.410 -5.518 17.759 1.00 33.50 H new ATOM 0 HD22 LEU A 82 20.682 -6.199 18.801 1.00 33.50 H new ATOM 0 HD23 LEU A 82 20.487 -6.789 17.133 1.00 33.50 H new ATOM 1238 N GLY A 83 22.315 -10.171 20.641 1.00 74.52 N ATOM 1239 CA GLY A 83 23.044 -11.405 20.870 1.00 61.44 C ATOM 1240 C GLY A 83 23.171 -12.246 19.615 1.00 64.05 C ATOM 1241 O GLY A 83 22.943 -13.456 19.645 1.00 12.21 O ATOM 0 H GLY A 83 22.895 -9.334 20.587 1.00 74.52 H new ATOM 0 HA2 GLY A 83 24.039 -11.171 21.248 1.00 61.44 H new ATOM 0 HA3 GLY A 83 22.538 -11.984 21.642 1.00 61.44 H new ATOM 1245 N ILE A 84 23.531 -11.604 18.508 1.00 55.22 N ATOM 1246 CA ILE A 84 23.686 -12.302 17.238 1.00 13.14 C ATOM 1247 C ILE A 84 25.107 -12.828 17.069 1.00 55.44 C ATOM 1248 O ILE A 84 26.043 -12.329 17.694 1.00 14.52 O ATOM 1249 CB ILE A 84 23.344 -11.386 16.048 1.00 32.24 C ATOM 1250 CG1 ILE A 84 22.046 -10.622 16.320 1.00 51.22 C ATOM 1251 CG2 ILE A 84 23.228 -12.201 14.768 1.00 0.21 C ATOM 1252 CD1 ILE A 84 20.849 -11.522 16.536 1.00 63.44 C ATOM 0 H ILE A 84 23.721 -10.603 18.465 1.00 55.22 H new ATOM 0 HA ILE A 84 22.991 -13.141 17.252 1.00 13.14 H new ATOM 0 HB ILE A 84 24.149 -10.662 15.923 1.00 32.24 H new ATOM 0 HG12 ILE A 84 22.181 -9.994 17.200 1.00 51.22 H new ATOM 0 HG13 ILE A 84 21.843 -9.956 15.481 1.00 51.22 H new ATOM 0 HG21 ILE A 84 22.986 -11.540 13.936 1.00 0.21 H new ATOM 0 HG22 ILE A 84 24.175 -12.703 14.569 1.00 0.21 H new ATOM 0 HG23 ILE A 84 22.440 -12.945 14.881 1.00 0.21 H new ATOM 0 HD11 ILE A 84 19.965 -10.913 16.723 1.00 63.44 H new ATOM 0 HD12 ILE A 84 20.688 -12.132 15.647 1.00 63.44 H new ATOM 0 HD13 ILE A 84 21.031 -12.170 17.393 1.00 63.44 H new ATOM 1264 N SER A 85 25.261 -13.837 16.219 1.00 21.13 N ATOM 1265 CA SER A 85 26.569 -14.433 15.968 1.00 50.52 C ATOM 1266 C SER A 85 27.609 -13.356 15.678 1.00 44.03 C ATOM 1267 O SER A 85 27.293 -12.256 15.225 1.00 31.33 O ATOM 1268 CB SER A 85 26.491 -15.411 14.794 1.00 54.22 C ATOM 1269 OG SER A 85 27.675 -15.372 14.018 1.00 53.22 O ATOM 0 H SER A 85 24.497 -14.260 15.692 1.00 21.13 H new ATOM 0 HA SER A 85 26.872 -14.975 16.864 1.00 50.52 H new ATOM 0 HB2 SER A 85 26.331 -16.422 15.169 1.00 54.22 H new ATOM 0 HB3 SER A 85 25.634 -15.164 14.168 1.00 54.22 H new ATOM 0 HG SER A 85 28.093 -16.258 14.015 1.00 53.22 H new ATOM 1275 N PRO A 86 28.884 -13.678 15.946 1.00 0.11 N ATOM 1276 CA PRO A 86 29.999 -12.753 15.723 1.00 54.45 C ATOM 1277 C PRO A 86 30.268 -12.516 14.240 1.00 45.13 C ATOM 1278 O PRO A 86 30.997 -11.597 13.871 1.00 52.05 O ATOM 1279 CB PRO A 86 31.186 -13.464 16.375 1.00 32.51 C ATOM 1280 CG PRO A 86 30.829 -14.910 16.337 1.00 54.43 C ATOM 1281 CD PRO A 86 29.335 -14.971 16.488 1.00 54.42 C ATOM 0 HA PRO A 86 29.798 -11.765 16.137 1.00 54.45 H new ATOM 0 HB2 PRO A 86 32.111 -13.270 15.832 1.00 32.51 H new ATOM 0 HB3 PRO A 86 31.340 -13.121 17.398 1.00 32.51 H new ATOM 0 HG2 PRO A 86 31.145 -15.366 15.399 1.00 54.43 H new ATOM 0 HG3 PRO A 86 31.325 -15.456 17.140 1.00 54.43 H new ATOM 0 HD2 PRO A 86 28.909 -15.809 15.936 1.00 54.42 H new ATOM 0 HD3 PRO A 86 29.041 -15.094 17.530 1.00 54.42 H new ATOM 1289 N MET A 87 29.672 -13.352 13.395 1.00 52.20 N ATOM 1290 CA MET A 87 29.848 -13.233 11.953 1.00 11.03 C ATOM 1291 C MET A 87 29.592 -11.802 11.491 1.00 60.21 C ATOM 1292 O MET A 87 28.598 -11.184 11.873 1.00 33.13 O ATOM 1293 CB MET A 87 28.906 -14.193 11.222 1.00 52.31 C ATOM 1294 CG MET A 87 29.263 -15.658 11.413 1.00 30.23 C ATOM 1295 SD MET A 87 30.858 -16.084 10.688 1.00 71.42 S ATOM 1296 CE MET A 87 30.487 -15.934 8.942 1.00 23.32 C ATOM 0 H MET A 87 29.064 -14.118 13.684 1.00 52.20 H new ATOM 0 HA MET A 87 30.879 -13.495 11.715 1.00 11.03 H new ATOM 0 HB2 MET A 87 27.887 -14.027 11.573 1.00 52.31 H new ATOM 0 HB3 MET A 87 28.918 -13.960 10.157 1.00 52.31 H new ATOM 0 HG2 MET A 87 29.279 -15.888 12.478 1.00 30.23 H new ATOM 0 HG3 MET A 87 28.487 -16.279 10.965 1.00 30.23 H new ATOM 0 HE1 MET A 87 31.322 -15.454 8.433 1.00 23.32 H new ATOM 0 HE2 MET A 87 30.325 -16.925 8.518 1.00 23.32 H new ATOM 0 HE3 MET A 87 29.588 -15.332 8.812 1.00 23.32 H new ATOM 1306 N HIS A 88 30.496 -11.280 10.668 1.00 53.41 N ATOM 1307 CA HIS A 88 30.368 -9.920 10.154 1.00 33.42 C ATOM 1308 C HIS A 88 29.203 -9.818 9.175 1.00 73.05 C ATOM 1309 O HIS A 88 29.195 -10.474 8.135 1.00 73.13 O ATOM 1310 CB HIS A 88 31.664 -9.488 9.469 1.00 42.20 C ATOM 1311 CG HIS A 88 32.147 -10.455 8.432 1.00 1.22 C ATOM 1312 ND1 HIS A 88 31.790 -10.373 7.103 1.00 11.32 N ATOM 1313 CD2 HIS A 88 32.964 -11.529 8.536 1.00 14.24 C ATOM 1314 CE1 HIS A 88 32.365 -11.355 6.433 1.00 62.14 C ATOM 1315 NE2 HIS A 88 33.083 -12.071 7.280 1.00 62.24 N ATOM 0 H HIS A 88 31.325 -11.778 10.343 1.00 53.41 H new ATOM 0 HA HIS A 88 30.172 -9.256 10.996 1.00 33.42 H new ATOM 0 HB2 HIS A 88 31.511 -8.515 9.003 1.00 42.20 H new ATOM 0 HB3 HIS A 88 32.439 -9.361 10.225 1.00 42.20 H new ATOM 0 HD2 HIS A 88 33.434 -11.892 9.438 1.00 14.24 H new ATOM 0 HE1 HIS A 88 32.265 -11.541 5.374 1.00 62.14 H new ATOM 0 HE2 HIS A 88 33.636 -12.894 7.040 1.00 62.24 H new ATOM 1323 N GLU A 89 28.220 -8.989 9.516 1.00 70.23 N ATOM 1324 CA GLU A 89 27.050 -8.803 8.667 1.00 14.34 C ATOM 1325 C GLU A 89 26.947 -7.356 8.193 1.00 75.32 C ATOM 1326 O GLU A 89 26.220 -7.052 7.247 1.00 72.42 O ATOM 1327 CB GLU A 89 25.778 -9.196 9.421 1.00 53.11 C ATOM 1328 CG GLU A 89 25.911 -10.488 10.209 1.00 61.24 C ATOM 1329 CD GLU A 89 24.610 -10.907 10.867 1.00 1.31 C ATOM 1330 OE1 GLU A 89 24.288 -10.362 11.943 1.00 4.11 O ATOM 1331 OE2 GLU A 89 23.916 -11.780 10.306 1.00 3.31 O1- ATOM 0 H GLU A 89 28.212 -8.437 10.373 1.00 70.23 H new ATOM 0 HA GLU A 89 27.160 -9.446 7.794 1.00 14.34 H new ATOM 0 HB2 GLU A 89 25.507 -8.391 10.104 1.00 53.11 H new ATOM 0 HB3 GLU A 89 24.960 -9.298 8.708 1.00 53.11 H new ATOM 0 HG2 GLU A 89 26.249 -11.282 9.543 1.00 61.24 H new ATOM 0 HG3 GLU A 89 26.678 -10.365 10.974 1.00 61.24 H new ATOM 1338 N HIS A 90 27.680 -6.469 8.857 1.00 74.52 N ATOM 1339 CA HIS A 90 27.672 -5.053 8.504 1.00 55.24 C ATOM 1340 C HIS A 90 27.947 -4.863 7.015 1.00 4.33 C ATOM 1341 O HIS A 90 29.033 -5.177 6.529 1.00 31.43 O ATOM 1342 CB HIS A 90 28.713 -4.295 9.327 1.00 13.21 C ATOM 1343 CG HIS A 90 30.038 -4.988 9.403 1.00 63.34 C ATOM 1344 ND1 HIS A 90 30.401 -5.806 10.453 1.00 35.31 N ATOM 1345 CD2 HIS A 90 31.090 -4.985 8.551 1.00 64.40 C ATOM 1346 CE1 HIS A 90 31.618 -6.274 10.245 1.00 72.11 C ATOM 1347 NE2 HIS A 90 32.059 -5.791 9.097 1.00 23.52 N ATOM 0 H HIS A 90 28.287 -6.705 9.642 1.00 74.52 H new ATOM 0 HA HIS A 90 26.683 -4.654 8.727 1.00 55.24 H new ATOM 0 HB2 HIS A 90 28.855 -3.305 8.895 1.00 13.21 H new ATOM 0 HB3 HIS A 90 28.330 -4.150 10.337 1.00 13.21 H new ATOM 0 HD1 HIS A 90 29.819 -6.017 11.264 1.00 35.31 H new ATOM 0 HD2 HIS A 90 31.155 -4.449 7.616 1.00 64.40 H new ATOM 0 HE1 HIS A 90 32.160 -6.938 10.901 1.00 72.11 H new ATOM 1355 N ALA A 91 26.955 -4.348 6.296 1.00 73.52 N ATOM 1356 CA ALA A 91 27.090 -4.115 4.864 1.00 22.23 C ATOM 1357 C ALA A 91 27.360 -2.644 4.570 1.00 61.21 C ATOM 1358 O ALA A 91 27.220 -1.791 5.446 1.00 23.03 O ATOM 1359 CB ALA A 91 25.839 -4.580 4.133 1.00 3.52 C ATOM 0 H ALA A 91 26.049 -4.084 6.682 1.00 73.52 H new ATOM 0 HA ALA A 91 27.942 -4.692 4.506 1.00 22.23 H new ATOM 0 HB1 ALA A 91 25.954 -4.400 3.064 1.00 3.52 H new ATOM 0 HB2 ALA A 91 25.691 -5.646 4.307 1.00 3.52 H new ATOM 0 HB3 ALA A 91 24.975 -4.028 4.503 1.00 3.52 H new ATOM 1365 N GLU A 92 27.748 -2.354 3.332 1.00 73.32 N ATOM 1366 CA GLU A 92 28.040 -0.984 2.925 1.00 2.25 C ATOM 1367 C GLU A 92 27.603 -0.740 1.482 1.00 25.30 C ATOM 1368 O GLU A 92 27.565 -1.664 0.669 1.00 13.50 O ATOM 1369 CB GLU A 92 29.534 -0.691 3.072 1.00 43.31 C ATOM 1370 CG GLU A 92 30.427 -1.808 2.557 1.00 22.11 C ATOM 1371 CD GLU A 92 30.314 -2.001 1.057 1.00 21.31 C ATOM 1372 OE1 GLU A 92 30.261 -0.985 0.332 1.00 61.05 O ATOM 1373 OE2 GLU A 92 30.279 -3.166 0.609 1.00 32.20 O1- ATOM 0 H GLU A 92 27.867 -3.048 2.594 1.00 73.32 H new ATOM 0 HA GLU A 92 27.480 -0.313 3.576 1.00 2.25 H new ATOM 0 HB2 GLU A 92 29.770 0.228 2.535 1.00 43.31 H new ATOM 0 HB3 GLU A 92 29.759 -0.513 4.124 1.00 43.31 H new ATOM 0 HG2 GLU A 92 31.463 -1.588 2.814 1.00 22.11 H new ATOM 0 HG3 GLU A 92 30.165 -2.739 3.060 1.00 22.11 H new ATOM 1380 N VAL A 93 27.272 0.509 1.173 1.00 70.21 N ATOM 1381 CA VAL A 93 26.838 0.875 -0.170 1.00 61.32 C ATOM 1382 C VAL A 93 27.616 2.079 -0.690 1.00 43.24 C ATOM 1383 O VAL A 93 27.460 3.194 -0.194 1.00 3.54 O ATOM 1384 CB VAL A 93 25.332 1.198 -0.204 1.00 40.32 C ATOM 1385 CG1 VAL A 93 24.899 1.574 -1.612 1.00 24.13 C ATOM 1386 CG2 VAL A 93 24.523 0.019 0.315 1.00 41.15 C ATOM 0 H VAL A 93 27.296 1.285 1.835 1.00 70.21 H new ATOM 0 HA VAL A 93 27.033 0.015 -0.811 1.00 61.32 H new ATOM 0 HB VAL A 93 25.146 2.052 0.448 1.00 40.32 H new ATOM 0 HG11 VAL A 93 23.832 1.799 -1.617 1.00 24.13 H new ATOM 0 HG12 VAL A 93 25.456 2.451 -1.942 1.00 24.13 H new ATOM 0 HG13 VAL A 93 25.098 0.742 -2.288 1.00 24.13 H new ATOM 0 HG21 VAL A 93 23.461 0.264 0.284 1.00 41.15 H new ATOM 0 HG22 VAL A 93 24.712 -0.855 -0.309 1.00 41.15 H new ATOM 0 HG23 VAL A 93 24.815 -0.199 1.342 1.00 41.15 H new ATOM 1396 N VAL A 94 28.455 1.844 -1.693 1.00 55.22 N ATOM 1397 CA VAL A 94 29.258 2.909 -2.283 1.00 54.44 C ATOM 1398 C VAL A 94 29.117 2.927 -3.802 1.00 72.33 C ATOM 1399 O VAL A 94 29.622 2.041 -4.492 1.00 31.22 O ATOM 1400 CB VAL A 94 30.746 2.758 -1.918 1.00 12.35 C ATOM 1401 CG1 VAL A 94 31.564 3.882 -2.535 1.00 44.32 C ATOM 1402 CG2 VAL A 94 30.923 2.726 -0.408 1.00 32.44 C ATOM 0 H VAL A 94 28.597 0.926 -2.114 1.00 55.22 H new ATOM 0 HA VAL A 94 28.886 3.849 -1.875 1.00 54.44 H new ATOM 0 HB VAL A 94 31.108 1.813 -2.324 1.00 12.35 H new ATOM 0 HG11 VAL A 94 32.613 3.758 -2.266 1.00 44.32 H new ATOM 0 HG12 VAL A 94 31.462 3.853 -3.620 1.00 44.32 H new ATOM 0 HG13 VAL A 94 31.204 4.841 -2.162 1.00 44.32 H new ATOM 0 HG21 VAL A 94 31.981 2.619 -0.168 1.00 32.44 H new ATOM 0 HG22 VAL A 94 30.545 3.654 0.022 1.00 32.44 H new ATOM 0 HG23 VAL A 94 30.370 1.883 0.005 1.00 32.44 H new ATOM 1412 N PHE A 95 28.430 3.942 -4.315 1.00 74.21 N ATOM 1413 CA PHE A 95 28.223 4.074 -5.752 1.00 3.42 C ATOM 1414 C PHE A 95 28.483 5.507 -6.209 1.00 14.12 C ATOM 1415 O PHE A 95 28.355 6.452 -5.431 1.00 41.52 O ATOM 1416 CB PHE A 95 26.798 3.660 -6.124 1.00 1.11 C ATOM 1417 CG PHE A 95 26.625 2.175 -6.273 1.00 21.10 C ATOM 1418 CD1 PHE A 95 26.544 1.358 -5.157 1.00 44.02 C ATOM 1419 CD2 PHE A 95 26.544 1.597 -7.530 1.00 70.40 C ATOM 1420 CE1 PHE A 95 26.385 -0.008 -5.292 1.00 24.42 C ATOM 1421 CE2 PHE A 95 26.384 0.231 -7.670 1.00 25.12 C ATOM 1422 CZ PHE A 95 26.306 -0.573 -6.550 1.00 43.33 C ATOM 0 H PHE A 95 28.008 4.684 -3.758 1.00 74.21 H new ATOM 0 HA PHE A 95 28.929 3.415 -6.257 1.00 3.42 H new ATOM 0 HB2 PHE A 95 26.111 4.023 -5.359 1.00 1.11 H new ATOM 0 HB3 PHE A 95 26.519 4.146 -7.059 1.00 1.11 H new ATOM 0 HD1 PHE A 95 26.606 1.794 -4.171 1.00 44.02 H new ATOM 0 HD2 PHE A 95 26.607 2.220 -8.410 1.00 70.40 H new ATOM 0 HE1 PHE A 95 26.323 -0.634 -4.414 1.00 24.42 H new ATOM 0 HE2 PHE A 95 26.320 -0.207 -8.655 1.00 25.12 H new ATOM 0 HZ PHE A 95 26.184 -1.641 -6.657 1.00 43.33 H new ATOM 1432 N THR A 96 28.851 5.660 -7.477 1.00 44.40 N ATOM 1433 CA THR A 96 29.132 6.975 -8.038 1.00 34.31 C ATOM 1434 C THR A 96 28.125 7.336 -9.125 1.00 25.23 C ATOM 1435 O THR A 96 27.684 6.476 -9.887 1.00 11.30 O ATOM 1436 CB THR A 96 30.553 7.042 -8.629 1.00 71.34 C ATOM 1437 OG1 THR A 96 30.772 8.322 -9.232 1.00 53.43 O ATOM 1438 CG2 THR A 96 30.761 5.946 -9.664 1.00 41.12 C ATOM 0 H THR A 96 28.961 4.889 -8.135 1.00 44.40 H new ATOM 0 HA THR A 96 29.052 7.691 -7.220 1.00 34.31 H new ATOM 0 HB THR A 96 31.267 6.895 -7.819 1.00 71.34 H new ATOM 0 HG1 THR A 96 31.678 8.358 -9.604 1.00 53.43 H new ATOM 0 HG21 THR A 96 31.771 6.013 -10.067 1.00 41.12 H new ATOM 0 HG22 THR A 96 30.622 4.972 -9.195 1.00 41.12 H new ATOM 0 HG23 THR A 96 30.039 6.067 -10.472 1.00 41.12 H new ATOM 1446 N ALA A 97 27.764 8.614 -9.189 1.00 2.00 N ATOM 1447 CA ALA A 97 26.810 9.088 -10.185 1.00 54.14 C ATOM 1448 C ALA A 97 27.490 9.320 -11.530 1.00 75.12 C ATOM 1449 O ALA A 97 28.701 9.522 -11.597 1.00 3.52 O ATOM 1450 CB ALA A 97 26.139 10.366 -9.704 1.00 3.33 C ATOM 0 H ALA A 97 28.117 9.339 -8.564 1.00 2.00 H new ATOM 0 HA ALA A 97 26.050 8.319 -10.320 1.00 54.14 H new ATOM 0 HB1 ALA A 97 25.429 10.710 -10.456 1.00 3.33 H new ATOM 0 HB2 ALA A 97 25.612 10.171 -8.770 1.00 3.33 H new ATOM 0 HB3 ALA A 97 26.895 11.134 -9.540 1.00 3.33 H new ATOM 1456 N ASN A 98 26.701 9.287 -12.599 1.00 61.44 N ATOM 1457 CA ASN A 98 27.227 9.492 -13.944 1.00 5.53 C ATOM 1458 C ASN A 98 28.219 8.392 -14.313 1.00 5.21 C ATOM 1459 O ASN A 98 29.349 8.670 -14.716 1.00 32.32 O ATOM 1460 CB ASN A 98 27.904 10.859 -14.046 1.00 33.23 C ATOM 1461 CG ASN A 98 27.124 11.946 -13.331 1.00 11.24 C ATOM 1462 OD1 ASN A 98 25.947 12.169 -13.615 1.00 54.42 O ATOM 1463 ND2 ASN A 98 27.778 12.628 -12.398 1.00 42.15 N ATOM 0 H ASN A 98 25.695 9.120 -12.560 1.00 61.44 H new ATOM 0 HA ASN A 98 26.392 9.454 -14.644 1.00 5.53 H new ATOM 0 HB2 ASN A 98 28.907 10.797 -13.623 1.00 33.23 H new ATOM 0 HB3 ASN A 98 28.017 11.128 -15.096 1.00 33.23 H new ATOM 0 HD21 ASN A 98 27.305 13.371 -11.884 1.00 42.15 H new ATOM 0 HD22 ASN A 98 28.753 12.409 -12.196 1.00 42.15 H new ATOM 1470 N ASP A 99 27.788 7.144 -14.174 1.00 51.43 N ATOM 1471 CA ASP A 99 28.637 6.002 -14.494 1.00 34.13 C ATOM 1472 C ASP A 99 27.827 4.891 -15.155 1.00 63.24 C ATOM 1473 O ASP A 99 26.610 4.812 -14.988 1.00 54.14 O ATOM 1474 CB ASP A 99 29.314 5.471 -13.228 1.00 61.02 C ATOM 1475 CG ASP A 99 30.453 4.520 -13.536 1.00 31.11 C ATOM 1476 OD1 ASP A 99 31.503 4.991 -14.024 1.00 64.44 O ATOM 1477 OD2 ASP A 99 30.296 3.306 -13.293 1.00 41.04 O1- ATOM 0 H ASP A 99 26.856 6.897 -13.842 1.00 51.43 H new ATOM 0 HA ASP A 99 29.403 6.336 -15.194 1.00 34.13 H new ATOM 0 HB2 ASP A 99 29.693 6.309 -12.643 1.00 61.02 H new ATOM 0 HB3 ASP A 99 28.575 4.960 -12.611 1.00 61.02 H new ATOM 1482 N SER A 100 28.510 4.036 -15.909 1.00 31.43 N ATOM 1483 CA SER A 100 27.853 2.932 -16.601 1.00 54.41 C ATOM 1484 C SER A 100 27.220 1.966 -15.604 1.00 0.22 C ATOM 1485 O SER A 100 27.913 1.185 -14.954 1.00 0.22 O ATOM 1486 CB SER A 100 28.856 2.187 -17.484 1.00 62.41 C ATOM 1487 OG SER A 100 29.159 2.932 -18.651 1.00 71.24 O ATOM 0 H SER A 100 29.518 4.086 -16.057 1.00 31.43 H new ATOM 0 HA SER A 100 27.065 3.347 -17.229 1.00 54.41 H new ATOM 0 HB2 SER A 100 29.770 1.998 -16.922 1.00 62.41 H new ATOM 0 HB3 SER A 100 28.448 1.216 -17.764 1.00 62.41 H new ATOM 0 HG SER A 100 29.803 2.436 -19.198 1.00 71.24 H new ATOM 1493 N GLY A 101 25.897 2.027 -15.490 1.00 34.22 N ATOM 1494 CA GLY A 101 25.190 1.153 -14.572 1.00 51.22 C ATOM 1495 C GLY A 101 23.866 1.736 -14.119 1.00 34.21 C ATOM 1496 O GLY A 101 23.535 2.884 -14.417 1.00 62.14 O ATOM 0 H GLY A 101 25.302 2.666 -16.017 1.00 34.22 H new ATOM 0 HA2 GLY A 101 25.014 0.191 -15.054 1.00 51.22 H new ATOM 0 HA3 GLY A 101 25.817 0.963 -13.701 1.00 51.22 H new ATOM 1500 N PRO A 102 23.083 0.933 -13.384 1.00 21.34 N ATOM 1501 CA PRO A 102 21.774 1.354 -12.875 1.00 0.44 C ATOM 1502 C PRO A 102 21.890 2.408 -11.780 1.00 41.02 C ATOM 1503 O PRO A 102 22.992 2.757 -11.355 1.00 2.14 O ATOM 1504 CB PRO A 102 21.179 0.060 -12.313 1.00 64.03 C ATOM 1505 CG PRO A 102 22.360 -0.783 -11.974 1.00 43.03 C ATOM 1506 CD PRO A 102 23.414 -0.447 -12.992 1.00 62.14 C ATOM 0 HA PRO A 102 21.164 1.817 -13.651 1.00 0.44 H new ATOM 0 HB2 PRO A 102 20.566 0.255 -11.433 1.00 64.03 H new ATOM 0 HB3 PRO A 102 20.538 -0.432 -13.045 1.00 64.03 H new ATOM 0 HG2 PRO A 102 22.712 -0.573 -10.964 1.00 43.03 H new ATOM 0 HG3 PRO A 102 22.106 -1.842 -12.010 1.00 43.03 H new ATOM 0 HD2 PRO A 102 24.417 -0.515 -12.570 1.00 62.14 H new ATOM 0 HD3 PRO A 102 23.380 -1.126 -13.844 1.00 62.14 H new ATOM 1514 N ARG A 103 20.746 2.911 -11.326 1.00 23.34 N ATOM 1515 CA ARG A 103 20.720 3.926 -10.280 1.00 62.04 C ATOM 1516 C ARG A 103 20.042 3.392 -9.021 1.00 14.33 C ATOM 1517 O ARG A 103 19.398 2.344 -9.048 1.00 52.44 O ATOM 1518 CB ARG A 103 19.992 5.178 -10.772 1.00 30.24 C ATOM 1519 CG ARG A 103 20.904 6.182 -11.458 1.00 22.53 C ATOM 1520 CD ARG A 103 21.138 5.818 -12.915 1.00 52.13 C ATOM 1521 NE ARG A 103 19.978 6.123 -13.749 1.00 1.11 N ATOM 1522 CZ ARG A 103 19.688 7.343 -14.185 1.00 54.03 C ATOM 1523 NH1 ARG A 103 20.468 8.368 -13.869 1.00 3.14 N1+ ATOM 1524 NH2 ARG A 103 18.614 7.541 -14.940 1.00 64.44 N ATOM 0 H ARG A 103 19.826 2.632 -11.666 1.00 23.34 H new ATOM 0 HA ARG A 103 21.750 4.186 -10.035 1.00 62.04 H new ATOM 0 HB2 ARG A 103 19.205 4.882 -11.465 1.00 30.24 H new ATOM 0 HB3 ARG A 103 19.505 5.661 -9.925 1.00 30.24 H new ATOM 0 HG2 ARG A 103 20.463 7.177 -11.397 1.00 22.53 H new ATOM 0 HG3 ARG A 103 21.859 6.224 -10.935 1.00 22.53 H new ATOM 0 HD2 ARG A 103 22.006 6.361 -13.289 1.00 52.13 H new ATOM 0 HD3 ARG A 103 21.369 4.756 -12.990 1.00 52.13 H new ATOM 0 HE ARG A 103 19.357 5.357 -14.011 1.00 1.11 H new ATOM 0 HH11 ARG A 103 21.294 8.220 -13.289 1.00 3.14 H new ATOM 0 HH12 ARG A 103 20.242 9.304 -14.206 1.00 3.14 H new ATOM 0 HH21 ARG A 103 18.011 6.756 -15.185 1.00 64.44 H new ATOM 0 HH22 ARG A 103 18.392 8.479 -15.275 1.00 64.44 H new ATOM 1538 N ARG A 104 20.192 4.121 -7.920 1.00 24.02 N ATOM 1539 CA ARG A 104 19.596 3.721 -6.651 1.00 24.20 C ATOM 1540 C ARG A 104 19.561 4.890 -5.673 1.00 1.51 C ATOM 1541 O ARG A 104 20.485 5.704 -5.629 1.00 72.24 O ATOM 1542 CB ARG A 104 20.377 2.555 -6.042 1.00 25.22 C ATOM 1543 CG ARG A 104 19.597 1.783 -4.990 1.00 31.23 C ATOM 1544 CD ARG A 104 18.444 1.009 -5.609 1.00 34.05 C ATOM 1545 NE ARG A 104 18.081 -0.161 -4.813 1.00 31.23 N ATOM 1546 CZ ARG A 104 18.832 -1.253 -4.729 1.00 4.22 C ATOM 1547 NH1 ARG A 104 19.982 -1.324 -5.385 1.00 33.51 N1+ ATOM 1548 NH2 ARG A 104 18.434 -2.277 -3.984 1.00 33.42 N ATOM 0 H ARG A 104 20.721 4.992 -7.881 1.00 24.02 H new ATOM 0 HA ARG A 104 18.572 3.402 -6.844 1.00 24.20 H new ATOM 0 HB2 ARG A 104 20.672 1.871 -6.838 1.00 25.22 H new ATOM 0 HB3 ARG A 104 21.294 2.938 -5.594 1.00 25.22 H new ATOM 0 HG2 ARG A 104 20.265 1.093 -4.474 1.00 31.23 H new ATOM 0 HG3 ARG A 104 19.212 2.474 -4.241 1.00 31.23 H new ATOM 0 HD2 ARG A 104 17.578 1.664 -5.706 1.00 34.05 H new ATOM 0 HD3 ARG A 104 18.719 0.692 -6.615 1.00 34.05 H new ATOM 0 HE ARG A 104 17.203 -0.138 -4.294 1.00 31.23 H new ATOM 0 HH11 ARG A 104 20.292 -0.538 -5.957 1.00 33.51 H new ATOM 0 HH12 ARG A 104 20.556 -2.164 -5.318 1.00 33.51 H new ATOM 0 HH21 ARG A 104 17.551 -2.225 -3.476 1.00 33.42 H new ATOM 0 HH22 ARG A 104 19.011 -3.116 -3.920 1.00 33.42 H new ATOM 1562 N TYR A 105 18.490 4.970 -4.891 1.00 3.31 N ATOM 1563 CA TYR A 105 18.334 6.042 -3.916 1.00 51.11 C ATOM 1564 C TYR A 105 18.342 5.490 -2.494 1.00 4.42 C ATOM 1565 O TYR A 105 18.955 6.067 -1.594 1.00 2.22 O ATOM 1566 CB TYR A 105 17.033 6.806 -4.171 1.00 3.13 C ATOM 1567 CG TYR A 105 16.825 7.181 -5.620 1.00 74.50 C ATOM 1568 CD1 TYR A 105 17.552 8.212 -6.203 1.00 22.34 C ATOM 1569 CD2 TYR A 105 15.903 6.504 -6.408 1.00 12.00 C ATOM 1570 CE1 TYR A 105 17.365 8.558 -7.527 1.00 51.10 C ATOM 1571 CE2 TYR A 105 15.710 6.843 -7.733 1.00 50.15 C ATOM 1572 CZ TYR A 105 16.443 7.871 -8.288 1.00 33.34 C ATOM 1573 OH TYR A 105 16.254 8.212 -9.608 1.00 22.10 O ATOM 0 H TYR A 105 17.717 4.305 -4.914 1.00 3.31 H new ATOM 0 HA TYR A 105 19.176 6.725 -4.026 1.00 51.11 H new ATOM 0 HB2 TYR A 105 16.193 6.197 -3.838 1.00 3.13 H new ATOM 0 HB3 TYR A 105 17.029 7.713 -3.566 1.00 3.13 H new ATOM 0 HD1 TYR A 105 18.276 8.752 -5.611 1.00 22.34 H new ATOM 0 HD2 TYR A 105 15.327 5.698 -5.977 1.00 12.00 H new ATOM 0 HE1 TYR A 105 17.938 9.362 -7.964 1.00 51.10 H new ATOM 0 HE2 TYR A 105 14.989 6.306 -8.331 1.00 50.15 H new ATOM 0 HH TYR A 105 15.571 7.630 -10.002 1.00 22.10 H new ATOM 1583 N THR A 106 17.658 4.368 -2.296 1.00 40.24 N ATOM 1584 CA THR A 106 17.584 3.737 -0.985 1.00 32.41 C ATOM 1585 C THR A 106 18.751 2.779 -0.770 1.00 71.02 C ATOM 1586 O THR A 106 19.121 2.025 -1.671 1.00 75.23 O ATOM 1587 CB THR A 106 16.262 2.966 -0.806 1.00 75.32 C ATOM 1588 OG1 THR A 106 15.153 3.862 -0.932 1.00 50.12 O ATOM 1589 CG2 THR A 106 16.216 2.283 0.553 1.00 12.31 C ATOM 0 H THR A 106 17.146 3.877 -3.029 1.00 40.24 H new ATOM 0 HA THR A 106 17.632 4.537 -0.246 1.00 32.41 H new ATOM 0 HB THR A 106 16.202 2.203 -1.582 1.00 75.32 H new ATOM 0 HG1 THR A 106 14.330 3.403 -0.663 1.00 50.12 H new ATOM 0 HG21 THR A 106 15.274 1.745 0.658 1.00 12.31 H new ATOM 0 HG22 THR A 106 17.046 1.581 0.636 1.00 12.31 H new ATOM 0 HG23 THR A 106 16.295 3.033 1.340 1.00 12.31 H new ATOM 1597 N ILE A 107 19.326 2.814 0.428 1.00 54.05 N ATOM 1598 CA ILE A 107 20.449 1.947 0.760 1.00 74.20 C ATOM 1599 C ILE A 107 19.967 0.595 1.273 1.00 63.32 C ATOM 1600 O ILE A 107 19.472 0.485 2.393 1.00 31.52 O ATOM 1601 CB ILE A 107 21.362 2.590 1.821 1.00 44.44 C ATOM 1602 CG1 ILE A 107 21.974 3.884 1.281 1.00 42.14 C ATOM 1603 CG2 ILE A 107 22.453 1.618 2.242 1.00 44.24 C ATOM 1604 CD1 ILE A 107 21.077 5.091 1.444 1.00 32.11 C ATOM 0 H ILE A 107 19.033 3.433 1.184 1.00 54.05 H new ATOM 0 HA ILE A 107 21.018 1.803 -0.158 1.00 74.20 H new ATOM 0 HB ILE A 107 20.761 2.832 2.697 1.00 44.44 H new ATOM 0 HG12 ILE A 107 22.918 4.071 1.793 1.00 42.14 H new ATOM 0 HG13 ILE A 107 22.205 3.753 0.224 1.00 42.14 H new ATOM 0 HG21 ILE A 107 23.089 2.088 2.992 1.00 44.24 H new ATOM 0 HG22 ILE A 107 21.999 0.721 2.662 1.00 44.24 H new ATOM 0 HG23 ILE A 107 23.054 1.348 1.374 1.00 44.24 H new ATOM 0 HD11 ILE A 107 21.575 5.972 1.039 1.00 32.11 H new ATOM 0 HD12 ILE A 107 20.142 4.925 0.908 1.00 32.11 H new ATOM 0 HD13 ILE A 107 20.866 5.247 2.502 1.00 32.11 H new ATOM 1616 N ALA A 108 20.118 -0.433 0.445 1.00 21.23 N ATOM 1617 CA ALA A 108 19.702 -1.781 0.816 1.00 2.35 C ATOM 1618 C ALA A 108 20.849 -2.553 1.458 1.00 63.45 C ATOM 1619 O ALA A 108 21.830 -2.890 0.795 1.00 51.45 O ATOM 1620 CB ALA A 108 19.178 -2.526 -0.402 1.00 32.14 C ATOM 0 H ALA A 108 20.525 -0.359 -0.487 1.00 21.23 H new ATOM 0 HA ALA A 108 18.900 -1.698 1.550 1.00 2.35 H new ATOM 0 HB1 ALA A 108 18.871 -3.530 -0.110 1.00 32.14 H new ATOM 0 HB2 ALA A 108 18.323 -1.991 -0.816 1.00 32.14 H new ATOM 0 HB3 ALA A 108 19.964 -2.591 -1.155 1.00 32.14 H new ATOM 1626 N ALA A 109 20.720 -2.829 2.752 1.00 63.22 N ATOM 1627 CA ALA A 109 21.747 -3.563 3.482 1.00 54.44 C ATOM 1628 C ALA A 109 21.157 -4.786 4.177 1.00 42.04 C ATOM 1629 O ALA A 109 20.286 -4.663 5.037 1.00 35.23 O ATOM 1630 CB ALA A 109 22.424 -2.653 4.496 1.00 2.42 C ATOM 0 H ALA A 109 19.915 -2.556 3.316 1.00 63.22 H new ATOM 0 HA ALA A 109 22.492 -3.909 2.765 1.00 54.44 H new ATOM 0 HB1 ALA A 109 23.189 -3.213 5.034 1.00 2.42 H new ATOM 0 HB2 ALA A 109 22.887 -1.813 3.979 1.00 2.42 H new ATOM 0 HB3 ALA A 109 21.682 -2.280 5.203 1.00 2.42 H new ATOM 1636 N MET A 110 21.638 -5.964 3.796 1.00 0.21 N ATOM 1637 CA MET A 110 21.158 -7.210 4.384 1.00 34.20 C ATOM 1638 C MET A 110 22.221 -7.833 5.283 1.00 44.24 C ATOM 1639 O MET A 110 23.359 -8.044 4.862 1.00 31.10 O ATOM 1640 CB MET A 110 20.761 -8.198 3.285 1.00 34.11 C ATOM 1641 CG MET A 110 19.472 -7.826 2.571 1.00 44.03 C ATOM 1642 SD MET A 110 18.787 -9.196 1.618 1.00 11.42 S ATOM 1643 CE MET A 110 17.843 -10.047 2.880 1.00 12.22 C ATOM 0 H MET A 110 22.359 -6.083 3.084 1.00 0.21 H new ATOM 0 HA MET A 110 20.282 -6.981 4.992 1.00 34.20 H new ATOM 0 HB2 MET A 110 21.567 -8.259 2.554 1.00 34.11 H new ATOM 0 HB3 MET A 110 20.651 -9.190 3.722 1.00 34.11 H new ATOM 0 HG2 MET A 110 18.737 -7.495 3.305 1.00 44.03 H new ATOM 0 HG3 MET A 110 19.660 -6.983 1.906 1.00 44.03 H new ATOM 0 HE1 MET A 110 18.119 -11.101 2.892 1.00 12.22 H new ATOM 0 HE2 MET A 110 18.056 -9.605 3.853 1.00 12.22 H new ATOM 0 HE3 MET A 110 16.779 -9.953 2.664 1.00 12.22 H new ATOM 1653 N LEU A 111 21.846 -8.122 6.523 1.00 51.13 N ATOM 1654 CA LEU A 111 22.768 -8.720 7.483 1.00 21.14 C ATOM 1655 C LEU A 111 22.806 -10.237 7.328 1.00 54.03 C ATOM 1656 O LEU A 111 22.361 -10.972 8.210 1.00 63.05 O ATOM 1657 CB LEU A 111 22.359 -8.351 8.910 1.00 12.44 C ATOM 1658 CG LEU A 111 22.282 -6.857 9.222 1.00 10.52 C ATOM 1659 CD1 LEU A 111 23.459 -6.121 8.600 1.00 71.33 C ATOM 1660 CD2 LEU A 111 20.966 -6.276 8.727 1.00 62.42 C ATOM 0 H LEU A 111 20.909 -7.952 6.889 1.00 51.13 H new ATOM 0 HA LEU A 111 23.766 -8.328 7.285 1.00 21.14 H new ATOM 0 HB2 LEU A 111 21.384 -8.795 9.113 1.00 12.44 H new ATOM 0 HB3 LEU A 111 23.068 -8.809 9.600 1.00 12.44 H new ATOM 0 HG LEU A 111 22.329 -6.728 10.303 1.00 10.52 H new ATOM 0 HD11 LEU A 111 23.388 -5.058 8.832 1.00 71.33 H new ATOM 0 HD12 LEU A 111 24.391 -6.519 9.002 1.00 71.33 H new ATOM 0 HD13 LEU A 111 23.443 -6.258 7.519 1.00 71.33 H new ATOM 0 HD21 LEU A 111 20.929 -5.211 8.958 1.00 62.42 H new ATOM 0 HD22 LEU A 111 20.889 -6.417 7.649 1.00 62.42 H new ATOM 0 HD23 LEU A 111 20.136 -6.783 9.219 1.00 62.42 H new ATOM 1672 N SER A 112 23.343 -10.699 6.204 1.00 54.12 N ATOM 1673 CA SER A 112 23.439 -12.128 5.933 1.00 12.24 C ATOM 1674 C SER A 112 24.109 -12.858 7.094 1.00 22.43 C ATOM 1675 O SER A 112 24.812 -12.263 7.911 1.00 1.40 O ATOM 1676 CB SER A 112 24.222 -12.373 4.642 1.00 43.45 C ATOM 1677 OG SER A 112 25.121 -11.309 4.381 1.00 13.22 O ATOM 0 H SER A 112 23.719 -10.104 5.466 1.00 54.12 H new ATOM 0 HA SER A 112 22.428 -12.519 5.816 1.00 12.24 H new ATOM 0 HB2 SER A 112 24.775 -13.309 4.720 1.00 43.45 H new ATOM 0 HB3 SER A 112 23.529 -12.481 3.808 1.00 43.45 H new ATOM 0 HG SER A 112 25.611 -11.490 3.552 1.00 13.22 H new ATOM 1683 N PRO A 113 23.886 -14.178 7.170 1.00 22.02 N ATOM 1684 CA PRO A 113 24.459 -15.018 8.225 1.00 43.14 C ATOM 1685 C PRO A 113 25.968 -15.182 8.081 1.00 2.12 C ATOM 1686 O PRO A 113 26.716 -15.007 9.044 1.00 12.34 O ATOM 1687 CB PRO A 113 23.754 -16.363 8.030 1.00 50.43 C ATOM 1688 CG PRO A 113 23.361 -16.380 6.593 1.00 10.11 C ATOM 1689 CD PRO A 113 23.058 -14.952 6.230 1.00 23.20 C ATOM 0 HA PRO A 113 24.314 -14.584 9.214 1.00 43.14 H new ATOM 0 HB2 PRO A 113 24.416 -17.195 8.269 1.00 50.43 H new ATOM 0 HB3 PRO A 113 22.883 -16.451 8.680 1.00 50.43 H new ATOM 0 HG2 PRO A 113 24.164 -16.778 5.973 1.00 10.11 H new ATOM 0 HG3 PRO A 113 22.490 -17.016 6.434 1.00 10.11 H new ATOM 0 HD2 PRO A 113 23.319 -14.737 5.194 1.00 23.20 H new ATOM 0 HD3 PRO A 113 21.998 -14.724 6.346 1.00 23.20 H new ATOM 1697 N TYR A 114 26.409 -15.518 6.874 1.00 23.50 N ATOM 1698 CA TYR A 114 27.830 -15.707 6.605 1.00 1.14 C ATOM 1699 C TYR A 114 28.260 -14.918 5.373 1.00 43.00 C ATOM 1700 O TYR A 114 27.505 -14.096 4.853 1.00 5.21 O ATOM 1701 CB TYR A 114 28.139 -17.191 6.407 1.00 52.22 C ATOM 1702 CG TYR A 114 27.486 -18.089 7.435 1.00 0.42 C ATOM 1703 CD1 TYR A 114 27.534 -17.777 8.788 1.00 13.42 C ATOM 1704 CD2 TYR A 114 26.824 -19.248 7.052 1.00 43.22 C ATOM 1705 CE1 TYR A 114 26.940 -18.593 9.730 1.00 52.31 C ATOM 1706 CE2 TYR A 114 26.224 -20.070 7.988 1.00 31.41 C ATOM 1707 CZ TYR A 114 26.285 -19.738 9.325 1.00 63.53 C ATOM 1708 OH TYR A 114 25.692 -20.555 10.261 1.00 74.32 O ATOM 0 H TYR A 114 25.803 -15.665 6.066 1.00 23.50 H new ATOM 0 HA TYR A 114 28.389 -15.337 7.464 1.00 1.14 H new ATOM 0 HB2 TYR A 114 27.810 -17.492 5.412 1.00 52.22 H new ATOM 0 HB3 TYR A 114 29.219 -17.337 6.443 1.00 52.22 H new ATOM 0 HD1 TYR A 114 28.045 -16.881 9.108 1.00 13.42 H new ATOM 0 HD2 TYR A 114 26.777 -19.512 6.006 1.00 43.22 H new ATOM 0 HE1 TYR A 114 26.988 -18.337 10.778 1.00 52.31 H new ATOM 0 HE2 TYR A 114 25.711 -20.967 7.674 1.00 31.41 H new ATOM 0 HH TYR A 114 25.273 -21.318 9.811 1.00 74.32 H new ATOM 1718 N SER A 115 29.480 -15.174 4.910 1.00 75.00 N ATOM 1719 CA SER A 115 30.014 -14.486 3.740 1.00 11.22 C ATOM 1720 C SER A 115 30.462 -15.487 2.679 1.00 71.44 C ATOM 1721 O SER A 115 31.526 -16.096 2.794 1.00 23.43 O ATOM 1722 CB SER A 115 31.188 -13.591 4.142 1.00 64.23 C ATOM 1723 OG SER A 115 31.758 -12.959 3.007 1.00 63.14 O ATOM 0 H SER A 115 30.117 -15.853 5.327 1.00 75.00 H new ATOM 0 HA SER A 115 29.222 -13.867 3.319 1.00 11.22 H new ATOM 0 HB2 SER A 115 30.848 -12.836 4.851 1.00 64.23 H new ATOM 0 HB3 SER A 115 31.946 -14.187 4.650 1.00 64.23 H new ATOM 0 HG SER A 115 32.505 -12.391 3.289 1.00 63.14 H new ATOM 1729 N TYR A 116 29.643 -15.650 1.647 1.00 41.15 N ATOM 1730 CA TYR A 116 29.951 -16.578 0.565 1.00 60.33 C ATOM 1731 C TYR A 116 31.004 -15.992 -0.371 1.00 73.11 C ATOM 1732 O TYR A 116 30.716 -15.672 -1.525 1.00 43.34 O ATOM 1733 CB TYR A 116 28.685 -16.917 -0.221 1.00 52.20 C ATOM 1734 CG TYR A 116 28.769 -18.230 -0.968 1.00 62.23 C ATOM 1735 CD1 TYR A 116 28.585 -19.439 -0.309 1.00 50.21 C ATOM 1736 CD2 TYR A 116 29.031 -18.261 -2.332 1.00 64.02 C ATOM 1737 CE1 TYR A 116 28.662 -20.641 -0.986 1.00 70.32 C ATOM 1738 CE2 TYR A 116 29.108 -19.457 -3.017 1.00 12.14 C ATOM 1739 CZ TYR A 116 28.922 -20.644 -2.341 1.00 0.53 C ATOM 1740 OH TYR A 116 28.998 -21.839 -3.019 1.00 30.40 O ATOM 0 H TYR A 116 28.760 -15.152 1.536 1.00 41.15 H new ATOM 0 HA TYR A 116 30.351 -17.491 1.006 1.00 60.33 H new ATOM 0 HB2 TYR A 116 27.840 -16.953 0.466 1.00 52.20 H new ATOM 0 HB3 TYR A 116 28.484 -16.116 -0.932 1.00 52.20 H new ATOM 0 HD1 TYR A 116 28.378 -19.439 0.751 1.00 50.21 H new ATOM 0 HD2 TYR A 116 29.177 -17.333 -2.866 1.00 64.02 H new ATOM 0 HE1 TYR A 116 28.520 -21.572 -0.458 1.00 70.32 H new ATOM 0 HE2 TYR A 116 29.313 -19.463 -4.077 1.00 12.14 H new ATOM 0 HH TYR A 116 29.186 -21.667 -3.965 1.00 30.40 H new ATOM 1750 N SER A 117 32.225 -15.855 0.134 1.00 25.22 N ATOM 1751 CA SER A 117 33.322 -15.305 -0.656 1.00 25.44 C ATOM 1752 C SER A 117 34.649 -15.447 0.085 1.00 44.43 C ATOM 1753 O SER A 117 34.694 -15.934 1.215 1.00 74.44 O ATOM 1754 CB SER A 117 33.058 -13.833 -0.976 1.00 52.34 C ATOM 1755 OG SER A 117 33.786 -13.422 -2.121 1.00 35.54 O ATOM 0 H SER A 117 32.481 -16.117 1.086 1.00 25.22 H new ATOM 0 HA SER A 117 33.385 -15.867 -1.588 1.00 25.44 H new ATOM 0 HB2 SER A 117 31.992 -13.680 -1.144 1.00 52.34 H new ATOM 0 HB3 SER A 117 33.338 -13.216 -0.122 1.00 52.34 H new ATOM 0 HG SER A 117 33.599 -12.478 -2.306 1.00 35.54 H new ATOM 1761 N THR A 118 35.728 -15.018 -0.562 1.00 33.43 N ATOM 1762 CA THR A 118 37.057 -15.097 0.033 1.00 53.23 C ATOM 1763 C THR A 118 37.530 -13.728 0.505 1.00 74.11 C ATOM 1764 O THR A 118 38.355 -13.624 1.414 1.00 53.14 O ATOM 1765 CB THR A 118 38.085 -15.668 -0.963 1.00 13.15 C ATOM 1766 OG1 THR A 118 39.359 -15.805 -0.326 1.00 55.10 O ATOM 1767 CG2 THR A 118 38.215 -14.766 -2.182 1.00 63.23 C ATOM 0 H THR A 118 35.708 -14.612 -1.498 1.00 33.43 H new ATOM 0 HA THR A 118 36.981 -15.767 0.889 1.00 53.23 H new ATOM 0 HB THR A 118 37.737 -16.647 -1.291 1.00 13.15 H new ATOM 0 HG1 THR A 118 40.007 -16.170 -0.965 1.00 55.10 H new ATOM 0 HG21 THR A 118 38.946 -15.189 -2.871 1.00 63.23 H new ATOM 0 HG22 THR A 118 37.249 -14.687 -2.681 1.00 63.23 H new ATOM 0 HG23 THR A 118 38.543 -13.775 -1.868 1.00 63.23 H new ATOM 1775 N THR A 119 37.002 -12.677 -0.115 1.00 11.45 N ATOM 1776 CA THR A 119 37.372 -11.313 0.242 1.00 25.02 C ATOM 1777 C THR A 119 38.886 -11.148 0.287 1.00 41.31 C ATOM 1778 O THR A 119 39.411 -10.361 1.075 1.00 44.13 O ATOM 1779 CB THR A 119 36.781 -10.911 1.606 1.00 11.34 C ATOM 1780 OG1 THR A 119 37.529 -11.521 2.664 1.00 72.04 O ATOM 1781 CG2 THR A 119 35.321 -11.325 1.707 1.00 25.02 C ATOM 0 H THR A 119 36.316 -12.745 -0.867 1.00 11.45 H new ATOM 0 HA THR A 119 36.962 -10.661 -0.530 1.00 25.02 H new ATOM 0 HB THR A 119 36.842 -9.827 1.697 1.00 11.34 H new ATOM 0 HG1 THR A 119 38.098 -12.229 2.296 1.00 72.04 H new ATOM 0 HG21 THR A 119 34.926 -11.030 2.679 1.00 25.02 H new ATOM 0 HG22 THR A 119 34.749 -10.835 0.919 1.00 25.02 H new ATOM 0 HG23 THR A 119 35.241 -12.406 1.595 1.00 25.02 H new ATOM 1789 N ALA A 120 39.585 -11.894 -0.563 1.00 13.22 N ATOM 1790 CA ALA A 120 41.039 -11.827 -0.621 1.00 52.22 C ATOM 1791 C ALA A 120 41.501 -10.702 -1.543 1.00 55.15 C ATOM 1792 O ALA A 120 41.603 -10.882 -2.756 1.00 65.21 O ATOM 1793 CB ALA A 120 41.611 -13.159 -1.085 1.00 42.50 C ATOM 0 H ALA A 120 39.167 -12.552 -1.221 1.00 13.22 H new ATOM 0 HA ALA A 120 41.408 -11.615 0.382 1.00 52.22 H new ATOM 0 HB1 ALA A 120 42.698 -13.094 -1.124 1.00 42.50 H new ATOM 0 HB2 ALA A 120 41.319 -13.943 -0.387 1.00 42.50 H new ATOM 0 HB3 ALA A 120 41.226 -13.394 -2.077 1.00 42.50 H new ATOM 1799 N VAL A 121 41.779 -9.541 -0.957 1.00 4.12 N ATOM 1800 CA VAL A 121 42.230 -8.387 -1.726 1.00 43.11 C ATOM 1801 C VAL A 121 43.678 -8.041 -1.399 1.00 30.44 C ATOM 1802 O VAL A 121 44.229 -8.509 -0.402 1.00 24.04 O ATOM 1803 CB VAL A 121 41.346 -7.154 -1.458 1.00 72.25 C ATOM 1804 CG1 VAL A 121 39.954 -7.360 -2.036 1.00 1.23 C ATOM 1805 CG2 VAL A 121 41.276 -6.863 0.033 1.00 33.31 C ATOM 0 H VAL A 121 41.700 -9.375 0.046 1.00 4.12 H new ATOM 0 HA VAL A 121 42.153 -8.658 -2.779 1.00 43.11 H new ATOM 0 HB VAL A 121 41.794 -6.292 -1.952 1.00 72.25 H new ATOM 0 HG11 VAL A 121 39.343 -6.479 -1.837 1.00 1.23 H new ATOM 0 HG12 VAL A 121 40.026 -7.516 -3.112 1.00 1.23 H new ATOM 0 HG13 VAL A 121 39.493 -8.233 -1.573 1.00 1.23 H new ATOM 0 HG21 VAL A 121 40.648 -5.989 0.204 1.00 33.31 H new ATOM 0 HG22 VAL A 121 40.851 -7.722 0.552 1.00 33.31 H new ATOM 0 HG23 VAL A 121 42.279 -6.669 0.413 1.00 33.31 H new ATOM 1815 N VAL A 122 44.290 -7.218 -2.244 1.00 21.23 N ATOM 1816 CA VAL A 122 45.674 -6.807 -2.044 1.00 51.40 C ATOM 1817 C VAL A 122 45.986 -5.532 -2.819 1.00 21.04 C ATOM 1818 O VAL A 122 45.568 -5.370 -3.966 1.00 52.34 O ATOM 1819 CB VAL A 122 46.656 -7.912 -2.478 1.00 74.35 C ATOM 1820 CG1 VAL A 122 46.520 -8.193 -3.967 1.00 52.43 C ATOM 1821 CG2 VAL A 122 48.084 -7.522 -2.129 1.00 10.13 C ATOM 0 H VAL A 122 43.849 -6.823 -3.074 1.00 21.23 H new ATOM 0 HA VAL A 122 45.798 -6.620 -0.977 1.00 51.40 H new ATOM 0 HB VAL A 122 46.410 -8.826 -1.937 1.00 74.35 H new ATOM 0 HG11 VAL A 122 47.221 -8.976 -4.255 1.00 52.43 H new ATOM 0 HG12 VAL A 122 45.503 -8.519 -4.184 1.00 52.43 H new ATOM 0 HG13 VAL A 122 46.738 -7.285 -4.530 1.00 52.43 H new ATOM 0 HG21 VAL A 122 48.764 -8.314 -2.443 1.00 10.13 H new ATOM 0 HG22 VAL A 122 48.344 -6.596 -2.642 1.00 10.13 H new ATOM 0 HG23 VAL A 122 48.169 -7.376 -1.052 1.00 10.13 H new ATOM 1831 N THR A 123 46.727 -4.627 -2.187 1.00 54.15 N ATOM 1832 CA THR A 123 47.095 -3.366 -2.816 1.00 30.41 C ATOM 1833 C THR A 123 48.535 -2.986 -2.487 1.00 22.22 C ATOM 1834 O THR A 123 48.849 -2.628 -1.352 1.00 52.11 O ATOM 1835 CB THR A 123 46.162 -2.223 -2.373 1.00 20.34 C ATOM 1836 OG1 THR A 123 46.686 -0.964 -2.812 1.00 33.22 O ATOM 1837 CG2 THR A 123 46.001 -2.211 -0.860 1.00 21.05 C ATOM 0 H THR A 123 47.084 -4.745 -1.239 1.00 54.15 H new ATOM 0 HA THR A 123 46.996 -3.510 -3.892 1.00 30.41 H new ATOM 0 HB THR A 123 45.184 -2.387 -2.825 1.00 20.34 H new ATOM 0 HG1 THR A 123 46.086 -0.243 -2.528 1.00 33.22 H new ATOM 0 HG21 THR A 123 45.338 -1.395 -0.571 1.00 21.05 H new ATOM 0 HG22 THR A 123 45.574 -3.159 -0.532 1.00 21.05 H new ATOM 0 HG23 THR A 123 46.975 -2.070 -0.392 1.00 21.05 H new ATOM 1845 N ASN A 124 49.407 -3.068 -3.487 1.00 75.41 N ATOM 1846 CA ASN A 124 50.814 -2.733 -3.302 1.00 53.22 C ATOM 1847 C ASN A 124 51.325 -1.876 -4.457 1.00 22.31 C ATOM 1848 O ASN A 124 52.116 -2.320 -5.290 1.00 32.20 O ATOM 1849 CB ASN A 124 51.652 -4.009 -3.190 1.00 13.12 C ATOM 1850 CG ASN A 124 51.336 -4.800 -1.936 1.00 63.22 C ATOM 1851 OD1 ASN A 124 51.473 -4.298 -0.820 1.00 54.42 O ATOM 1852 ND2 ASN A 124 50.908 -6.045 -2.114 1.00 64.04 N ATOM 0 H ASN A 124 49.164 -3.363 -4.433 1.00 75.41 H new ATOM 0 HA ASN A 124 50.908 -2.161 -2.379 1.00 53.22 H new ATOM 0 HB2 ASN A 124 51.475 -4.634 -4.065 1.00 13.12 H new ATOM 0 HB3 ASN A 124 52.710 -3.747 -3.194 1.00 13.12 H new ATOM 0 HD21 ASN A 124 50.678 -6.625 -1.307 1.00 64.04 H new ATOM 0 HD22 ASN A 124 50.809 -6.420 -3.057 1.00 64.04 H new ATOM 1859 N PRO A 125 50.864 -0.618 -4.509 1.00 24.52 N ATOM 1860 CA PRO A 125 51.261 0.329 -5.555 1.00 24.42 C ATOM 1861 C PRO A 125 52.717 0.764 -5.421 1.00 35.53 C ATOM 1862 O PRO A 125 53.428 0.319 -4.520 1.00 10.22 O ATOM 1863 CB PRO A 125 50.324 1.518 -5.331 1.00 72.35 C ATOM 1864 CG PRO A 125 49.952 1.442 -3.891 1.00 62.25 C ATOM 1865 CD PRO A 125 49.919 -0.023 -3.549 1.00 3.25 C ATOM 0 HA PRO A 125 51.186 -0.108 -6.551 1.00 24.42 H new ATOM 0 HB2 PRO A 125 50.819 2.461 -5.563 1.00 72.35 H new ATOM 0 HB3 PRO A 125 49.444 1.454 -5.971 1.00 72.35 H new ATOM 0 HG2 PRO A 125 50.677 1.971 -3.272 1.00 62.25 H new ATOM 0 HG3 PRO A 125 48.982 1.906 -3.713 1.00 62.25 H new ATOM 0 HD2 PRO A 125 50.226 -0.202 -2.519 1.00 3.25 H new ATOM 0 HD3 PRO A 125 48.918 -0.439 -3.660 1.00 3.25 H new ATOM 1873 N LYS A 126 53.154 1.635 -6.323 1.00 63.33 N ATOM 1874 CA LYS A 126 54.525 2.132 -6.306 1.00 0.11 C ATOM 1875 C LYS A 126 54.737 3.100 -5.147 1.00 52.52 C ATOM 1876 O LYS A 126 55.873 3.415 -4.791 1.00 75.10 O ATOM 1877 CB LYS A 126 54.855 2.825 -7.629 1.00 43.13 C ATOM 1878 CG LYS A 126 54.409 4.276 -7.684 1.00 31.53 C ATOM 1879 CD LYS A 126 52.895 4.398 -7.619 1.00 32.21 C ATOM 1880 CE LYS A 126 52.231 3.741 -8.820 1.00 52.15 C ATOM 1881 NZ LYS A 126 52.710 4.323 -10.105 1.00 22.22 N1+ ATOM 0 H LYS A 126 52.578 2.012 -7.076 1.00 63.33 H new ATOM 0 HA LYS A 126 55.192 1.280 -6.173 1.00 0.11 H new ATOM 0 HB2 LYS A 126 55.931 2.778 -7.795 1.00 43.13 H new ATOM 0 HB3 LYS A 126 54.382 2.277 -8.444 1.00 43.13 H new ATOM 0 HG2 LYS A 126 54.855 4.826 -6.855 1.00 31.53 H new ATOM 0 HG3 LYS A 126 54.773 4.735 -8.604 1.00 31.53 H new ATOM 0 HD2 LYS A 126 52.531 3.935 -6.702 1.00 32.21 H new ATOM 0 HD3 LYS A 126 52.615 5.451 -7.578 1.00 32.21 H new ATOM 0 HE2 LYS A 126 52.435 2.670 -8.808 1.00 52.15 H new ATOM 0 HE3 LYS A 126 51.150 3.860 -8.748 1.00 52.15 H new ATOM 0 HZ1 LYS A 126 52.068 4.042 -10.874 1.00 22.22 H new ATOM 0 HZ2 LYS A 126 52.729 5.360 -10.031 1.00 22.22 H new ATOM 0 HZ3 LYS A 126 53.668 3.973 -10.309 1.00 22.22 H new ATOM 1895 N GLU A 127 53.639 3.566 -4.562 1.00 3.11 N ATOM 1896 CA GLU A 127 53.707 4.498 -3.441 1.00 3.11 C ATOM 1897 C GLU A 127 53.400 3.789 -2.125 1.00 14.11 C ATOM 1898 O GLU A 127 52.815 2.707 -2.114 1.00 23.13 O ATOM 1899 CB GLU A 127 52.728 5.655 -3.651 1.00 11.02 C ATOM 1900 CG GLU A 127 53.185 6.656 -4.698 1.00 14.01 C ATOM 1901 CD GLU A 127 54.288 7.566 -4.193 1.00 3.05 C ATOM 1902 OE1 GLU A 127 55.465 7.152 -4.239 1.00 15.22 O ATOM 1903 OE2 GLU A 127 53.975 8.691 -3.752 1.00 25.34 O1- ATOM 0 H GLU A 127 52.692 3.314 -4.845 1.00 3.11 H new ATOM 0 HA GLU A 127 54.721 4.895 -3.392 1.00 3.11 H new ATOM 0 HB2 GLU A 127 51.759 5.251 -3.945 1.00 11.02 H new ATOM 0 HB3 GLU A 127 52.583 6.174 -2.703 1.00 11.02 H new ATOM 0 HG2 GLU A 127 53.537 6.119 -5.579 1.00 14.01 H new ATOM 0 HG3 GLU A 127 52.335 7.262 -5.012 1.00 14.01 H new TER 1910 GLU A 127