USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 796 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 67 THR OG1 : rot 95:sc= 1.23 USER MOD Set 1.2: A 72 TYR OH : rot 130:sc= 1.04 USER MOD Set 2.1: A 21 LYS NZ :NH3+ -110:sc= 0.749 (180deg=-0.00424) USER MOD Set 2.2: A 59 ASN : amide:sc= -1.23 K(o=-0.48,f=-6.7!) USER MOD Set 3.1: A 34 THR OG1 : rot 68:sc= 0.768 USER MOD Set 3.2: A 35 SER OG : rot 180:sc= -0.999! USER MOD Set 4.1: A 19 THR OG1 : rot 180:sc= 1.01 USER MOD Set 4.2: A 62 THR OG1 : rot -116:sc= -0.366 USER MOD Set 5.1: A 12 ASN : amide:sc= -1.03 X(o=1.2,f=1.6) USER MOD Set 5.2: A 14 THR OG1 : rot 80:sc= 1.15 USER MOD Set 5.3: A 17 THR OG1 : rot 8:sc= 1.1 USER MOD Single : A 0 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 0 SER OG : rot 27:sc= 0.49 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -2.09! C(o=-2.1!,f=-3.4!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -16:sc= 0.536 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 161:sc= -0.993 (180deg=-1.54!) USER MOD Single : A 45 ASN : amide:sc= -0.013 X(o=-0.013,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00361) USER MOD Single : A 52 ASN : amide:sc= -1.04 K(o=-1,f=-5.6!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.106 USER MOD Single : A 55 ASN : amide:sc= -0.337 X(o=-0.34,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= -1.22 USER MOD Single : A 79 LYS NZ :NH3+ 142:sc= -0.314 (180deg=-2.6!) USER MOD Single : A 80 ASN : amide:sc= -13.7! C(o=-14!,f=-15!) USER MOD Single : A 86 SER OG : rot -102:sc= -0.074 USER MOD Single : A 89 SER OG : rot 137:sc= -2.99! USER MOD Single : A 92 SER OG : rot -26:sc= -0.877 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot -74:sc= -4.5 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -25.395 -5.404 -3.621 1.00 2.05 N ATOM 2 CA SER A 0 -24.451 -4.253 -3.481 1.00 1.55 C ATOM 3 C SER A 0 -23.024 -4.659 -3.861 1.00 1.39 C ATOM 4 O SER A 0 -22.450 -5.562 -3.252 1.00 1.50 O ATOM 5 CB SER A 0 -24.479 -3.753 -2.031 1.00 2.08 C ATOM 6 OG SER A 0 -24.045 -4.760 -1.135 1.00 2.74 O ATOM 0 H1 SER A 0 -26.354 -5.100 -3.357 1.00 2.05 H new ATOM 0 H2 SER A 0 -25.395 -5.735 -4.607 1.00 2.05 H new ATOM 0 H3 SER A 0 -25.093 -6.179 -2.996 1.00 2.05 H new ATOM 0 HA SER A 0 -24.767 -3.459 -4.157 1.00 1.55 H new ATOM 0 HB2 SER A 0 -23.840 -2.875 -1.934 1.00 2.08 H new ATOM 0 HB3 SER A 0 -25.490 -3.441 -1.770 1.00 2.08 H new ATOM 0 HG SER A 0 -23.443 -5.377 -1.602 1.00 2.74 H new ATOM 12 N PRO A 1 -22.428 -4.001 -4.872 1.00 1.23 N ATOM 13 CA PRO A 1 -21.071 -4.306 -5.320 1.00 1.19 C ATOM 14 C PRO A 1 -20.009 -3.570 -4.507 1.00 1.24 C ATOM 15 O PRO A 1 -20.297 -3.033 -3.438 1.00 2.06 O ATOM 16 CB PRO A 1 -21.077 -3.814 -6.761 1.00 1.18 C ATOM 17 CG PRO A 1 -22.015 -2.653 -6.757 1.00 1.26 C ATOM 18 CD PRO A 1 -23.026 -2.910 -5.665 1.00 1.24 C ATOM 0 HA PRO A 1 -20.824 -5.362 -5.208 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -20.079 -3.517 -7.083 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -21.413 -4.593 -7.445 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -21.477 -1.723 -6.574 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -22.508 -2.552 -7.724 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -23.192 -2.020 -5.058 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -23.993 -3.200 -6.077 1.00 1.24 H new ATOM 26 N ILE A 2 -18.781 -3.550 -5.021 1.00 0.68 N ATOM 27 CA ILE A 2 -17.682 -2.879 -4.337 1.00 0.61 C ATOM 28 C ILE A 2 -16.527 -2.587 -5.288 1.00 0.57 C ATOM 29 O ILE A 2 -16.311 -3.308 -6.263 1.00 0.63 O ATOM 30 CB ILE A 2 -17.162 -3.721 -3.156 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.022 -2.993 -2.437 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.701 -5.087 -3.638 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.400 -3.795 -1.314 1.00 0.56 C ATOM 0 H ILE A 2 -18.524 -3.989 -5.905 1.00 0.68 H new ATOM 0 HA ILE A 2 -18.077 -1.936 -3.959 1.00 0.61 H new ATOM 0 HB ILE A 2 -17.979 -3.863 -2.449 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.249 -2.741 -3.163 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.400 -2.053 -2.034 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.337 -5.668 -2.791 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.536 -5.609 -4.104 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.899 -4.964 -4.365 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.601 -3.215 -0.852 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.160 -4.025 -0.567 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.991 -4.723 -1.713 1.00 0.56 H new ATOM 45 N ASP A 3 -15.784 -1.526 -4.991 1.00 0.55 N ATOM 46 CA ASP A 3 -14.644 -1.131 -5.809 1.00 0.54 C ATOM 47 C ASP A 3 -13.496 -0.658 -4.918 1.00 0.47 C ATOM 48 O ASP A 3 -13.698 0.160 -4.021 1.00 0.49 O ATOM 49 CB ASP A 3 -15.045 -0.021 -6.783 1.00 0.61 C ATOM 50 CG ASP A 3 -16.472 0.445 -6.575 1.00 1.15 C ATOM 51 OD1 ASP A 3 -17.365 -0.418 -6.442 1.00 2.00 O ATOM 52 OD2 ASP A 3 -16.696 1.673 -6.543 1.00 1.64 O ATOM 0 H ASP A 3 -15.952 -0.922 -4.186 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.312 -1.996 -6.384 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -14.369 0.825 -6.663 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -14.929 -0.380 -7.806 1.00 0.61 H new ATOM 57 N PRO A 4 -12.274 -1.170 -5.146 1.00 0.44 N ATOM 58 CA PRO A 4 -11.106 -0.796 -4.350 1.00 0.41 C ATOM 59 C PRO A 4 -10.477 0.523 -4.802 1.00 0.38 C ATOM 60 O PRO A 4 -10.797 1.040 -5.875 1.00 0.43 O ATOM 61 CB PRO A 4 -10.161 -1.971 -4.582 1.00 0.45 C ATOM 62 CG PRO A 4 -10.458 -2.403 -5.978 1.00 0.50 C ATOM 63 CD PRO A 4 -11.932 -2.157 -6.189 1.00 0.50 C ATOM 0 HA PRO A 4 -11.351 -0.623 -3.302 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.119 -1.673 -4.470 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.341 -2.775 -3.868 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.862 -1.839 -6.695 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.215 -3.456 -6.120 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.135 -1.771 -7.188 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.511 -3.074 -6.078 1.00 0.50 H new ATOM 71 N PRO A 5 -9.576 1.088 -3.979 1.00 0.37 N ATOM 72 CA PRO A 5 -8.900 2.360 -4.279 1.00 0.39 C ATOM 73 C PRO A 5 -8.048 2.310 -5.544 1.00 0.38 C ATOM 74 O PRO A 5 -8.021 1.306 -6.255 1.00 0.47 O ATOM 75 CB PRO A 5 -8.007 2.592 -3.057 1.00 0.46 C ATOM 76 CG PRO A 5 -7.862 1.255 -2.419 1.00 0.71 C ATOM 77 CD PRO A 5 -9.150 0.536 -2.682 1.00 0.43 C ATOM 0 HA PRO A 5 -9.625 3.153 -4.463 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -7.038 2.996 -3.349 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.458 3.309 -2.371 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.017 0.710 -2.840 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -7.679 1.350 -1.349 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -9.008 -0.544 -2.730 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -9.886 0.726 -1.901 1.00 0.43 H new ATOM 85 N GLY A 6 -7.348 3.412 -5.810 1.00 0.37 N ATOM 86 CA GLY A 6 -6.494 3.500 -6.982 1.00 0.39 C ATOM 87 C GLY A 6 -5.086 2.996 -6.713 1.00 0.42 C ATOM 88 O GLY A 6 -4.712 2.776 -5.561 1.00 0.66 O ATOM 0 H GLY A 6 -7.359 4.250 -5.229 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -6.935 2.921 -7.794 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.448 4.536 -7.318 1.00 0.39 H new ATOM 92 N LYS A 7 -4.301 2.817 -7.774 1.00 0.41 N ATOM 93 CA LYS A 7 -2.928 2.340 -7.631 1.00 0.44 C ATOM 94 C LYS A 7 -2.119 3.301 -6.757 1.00 0.37 C ATOM 95 O LYS A 7 -2.141 4.510 -6.985 1.00 0.42 O ATOM 96 CB LYS A 7 -2.267 2.200 -9.004 1.00 0.54 C ATOM 97 CG LYS A 7 -0.817 1.750 -8.937 1.00 0.64 C ATOM 98 CD LYS A 7 -0.147 1.834 -10.299 1.00 1.01 C ATOM 99 CE LYS A 7 1.219 2.490 -10.207 1.00 0.95 C ATOM 100 NZ LYS A 7 2.270 1.681 -10.885 1.00 1.52 N ATOM 0 H LYS A 7 -4.590 2.994 -8.736 1.00 0.41 H new ATOM 0 HA LYS A 7 -2.951 1.362 -7.150 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -2.834 1.485 -9.600 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.318 3.158 -9.522 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.274 2.371 -8.224 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -0.769 0.725 -8.569 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.044 0.833 -10.717 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.779 2.401 -10.982 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.177 3.482 -10.658 1.00 0.95 H new ATOM 0 HE3 LYS A 7 1.486 2.627 -9.159 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 3.188 2.163 -10.800 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 2.328 0.743 -10.439 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 2.029 1.571 -11.891 1.00 1.52 H new ATOM 114 N PRO A 8 -1.395 2.791 -5.739 1.00 0.34 N ATOM 115 CA PRO A 8 -0.598 3.632 -4.839 1.00 0.32 C ATOM 116 C PRO A 8 0.739 4.049 -5.446 1.00 0.33 C ATOM 117 O PRO A 8 1.285 3.363 -6.310 1.00 0.44 O ATOM 118 CB PRO A 8 -0.373 2.733 -3.609 1.00 0.39 C ATOM 119 CG PRO A 8 -1.205 1.516 -3.855 1.00 0.44 C ATOM 120 CD PRO A 8 -1.282 1.381 -5.344 1.00 0.41 C ATOM 0 HA PRO A 8 -1.106 4.570 -4.614 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.680 2.474 -3.498 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.676 3.238 -2.692 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -0.753 0.633 -3.403 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.198 1.624 -3.418 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.396 0.904 -5.763 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.142 0.792 -5.662 1.00 0.41 H new ATOM 128 N VAL A 9 1.254 5.181 -4.979 1.00 0.34 N ATOM 129 CA VAL A 9 2.524 5.710 -5.459 1.00 0.38 C ATOM 130 C VAL A 9 3.330 6.293 -4.298 1.00 0.34 C ATOM 131 O VAL A 9 2.897 7.255 -3.665 1.00 0.35 O ATOM 132 CB VAL A 9 2.295 6.802 -6.524 1.00 0.43 C ATOM 133 CG1 VAL A 9 1.647 8.034 -5.906 1.00 1.09 C ATOM 134 CG2 VAL A 9 3.602 7.163 -7.215 1.00 0.53 C ATOM 0 H VAL A 9 0.807 5.753 -4.263 1.00 0.34 H new ATOM 0 HA VAL A 9 3.081 4.889 -5.909 1.00 0.38 H new ATOM 0 HB VAL A 9 1.613 6.406 -7.277 1.00 0.43 H new ATOM 0 HG11 VAL A 9 1.495 8.790 -6.676 1.00 1.09 H new ATOM 0 HG12 VAL A 9 0.685 7.760 -5.472 1.00 1.09 H new ATOM 0 HG13 VAL A 9 2.296 8.434 -5.127 1.00 1.09 H new ATOM 0 HG21 VAL A 9 3.417 7.935 -7.962 1.00 0.53 H new ATOM 0 HG22 VAL A 9 4.313 7.535 -6.477 1.00 0.53 H new ATOM 0 HG23 VAL A 9 4.013 6.278 -7.701 1.00 0.53 H new ATOM 144 N PRO A 10 4.507 5.719 -3.987 1.00 0.34 N ATOM 145 CA PRO A 10 5.332 6.199 -2.886 1.00 0.32 C ATOM 146 C PRO A 10 5.904 7.595 -3.127 1.00 0.37 C ATOM 147 O PRO A 10 6.987 7.738 -3.698 1.00 0.64 O ATOM 148 CB PRO A 10 6.459 5.178 -2.770 1.00 0.38 C ATOM 149 CG PRO A 10 6.042 4.019 -3.610 1.00 0.39 C ATOM 150 CD PRO A 10 5.114 4.565 -4.658 1.00 0.42 C ATOM 0 HA PRO A 10 4.738 6.291 -1.977 1.00 0.32 H new ATOM 0 HB2 PRO A 10 7.403 5.596 -3.120 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.609 4.876 -1.733 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.907 3.541 -4.069 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.543 3.262 -3.006 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.651 4.858 -5.560 1.00 0.42 H new ATOM 0 HD3 PRO A 10 4.365 3.831 -4.957 1.00 0.42 H new ATOM 158 N LEU A 11 5.180 8.624 -2.682 1.00 0.34 N ATOM 159 CA LEU A 11 5.631 10.011 -2.844 1.00 0.43 C ATOM 160 C LEU A 11 7.092 10.142 -2.436 1.00 0.43 C ATOM 161 O LEU A 11 7.886 10.804 -3.105 1.00 0.57 O ATOM 162 CB LEU A 11 4.786 10.983 -2.005 1.00 0.56 C ATOM 163 CG LEU A 11 4.015 10.379 -0.829 1.00 0.92 C ATOM 164 CD1 LEU A 11 3.863 11.404 0.283 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.653 9.875 -1.275 1.00 1.12 C ATOM 0 H LEU A 11 4.282 8.526 -2.208 1.00 0.34 H new ATOM 0 HA LEU A 11 5.514 10.269 -3.897 1.00 0.43 H new ATOM 0 HB2 LEU A 11 5.445 11.760 -1.618 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.071 11.472 -2.667 1.00 0.56 H new ATOM 0 HG LEU A 11 4.583 9.530 -0.448 1.00 0.92 H new ATOM 0 HD11 LEU A 11 3.313 10.961 1.113 1.00 1.64 H new ATOM 0 HD12 LEU A 11 4.849 11.717 0.627 1.00 1.64 H new ATOM 0 HD13 LEU A 11 3.318 12.270 -0.093 1.00 1.64 H new ATOM 0 HD21 LEU A 11 2.125 9.450 -0.421 1.00 1.12 H new ATOM 0 HD22 LEU A 11 2.075 10.703 -1.684 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.781 9.109 -2.040 1.00 1.12 H new ATOM 177 N ASN A 12 7.429 9.496 -1.331 1.00 0.34 N ATOM 178 CA ASN A 12 8.784 9.511 -0.808 1.00 0.36 C ATOM 179 C ASN A 12 9.185 8.102 -0.416 1.00 0.37 C ATOM 180 O ASN A 12 8.330 7.284 -0.098 1.00 0.58 O ATOM 181 CB ASN A 12 8.886 10.439 0.402 1.00 0.42 C ATOM 182 CG ASN A 12 10.324 10.741 0.774 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.860 11.793 0.427 1.00 0.72 O ATOM 184 ND2 ASN A 12 10.956 9.814 1.484 1.00 0.71 N ATOM 0 H ASN A 12 6.773 8.949 -0.774 1.00 0.34 H new ATOM 0 HA ASN A 12 9.457 9.883 -1.580 1.00 0.36 H new ATOM 0 HB2 ASN A 12 8.365 11.372 0.187 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.381 9.981 1.252 1.00 0.42 H new ATOM 0 HD21 ASN A 12 11.926 9.959 1.764 1.00 0.71 H new ATOM 0 HD22 ASN A 12 10.472 8.957 1.749 1.00 0.71 H new ATOM 191 N ILE A 13 10.475 7.816 -0.444 1.00 0.38 N ATOM 192 CA ILE A 13 10.951 6.489 -0.094 1.00 0.43 C ATOM 193 C ILE A 13 12.239 6.561 0.721 1.00 0.53 C ATOM 194 O ILE A 13 13.336 6.655 0.170 1.00 0.75 O ATOM 195 CB ILE A 13 11.153 5.646 -1.361 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.938 6.445 -2.407 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.789 5.222 -1.908 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.919 5.829 -3.788 1.00 0.96 C ATOM 0 H ILE A 13 11.206 8.478 -0.703 1.00 0.38 H new ATOM 0 HA ILE A 13 10.195 6.009 0.527 1.00 0.43 H new ATOM 0 HB ILE A 13 11.729 4.753 -1.119 1.00 0.48 H new ATOM 0 HG12 ILE A 13 11.527 7.453 -2.464 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.972 6.540 -2.076 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.928 4.623 -2.808 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.263 4.632 -1.157 1.00 0.53 H new ATOM 0 HG23 ILE A 13 9.202 6.108 -2.149 1.00 0.53 H new ATOM 0 HD11 ILE A 13 12.496 6.452 -4.472 1.00 0.96 H new ATOM 0 HD12 ILE A 13 12.358 4.832 -3.748 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.890 5.759 -4.141 1.00 0.96 H new ATOM 210 N THR A 14 12.087 6.532 2.046 1.00 0.59 N ATOM 211 CA THR A 14 13.224 6.610 2.962 1.00 0.71 C ATOM 212 C THR A 14 13.759 5.234 3.337 1.00 0.79 C ATOM 213 O THR A 14 13.875 4.913 4.517 1.00 1.46 O ATOM 214 CB THR A 14 12.824 7.382 4.220 1.00 0.75 C ATOM 215 OG1 THR A 14 11.558 7.995 4.047 1.00 0.69 O ATOM 216 CG2 THR A 14 13.810 8.468 4.598 1.00 0.94 C ATOM 0 H THR A 14 11.182 6.455 2.510 1.00 0.59 H new ATOM 0 HA THR A 14 14.027 7.137 2.446 1.00 0.71 H new ATOM 0 HB THR A 14 12.802 6.641 5.019 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.851 7.332 4.191 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.465 8.975 5.499 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.788 8.023 4.784 1.00 0.94 H new ATOM 0 HG23 THR A 14 13.888 9.188 3.783 1.00 0.94 H new ATOM 224 N ARG A 15 14.111 4.449 2.319 1.00 0.66 N ATOM 225 CA ARG A 15 14.672 3.105 2.504 1.00 0.67 C ATOM 226 C ARG A 15 13.810 2.194 3.386 1.00 0.71 C ATOM 227 O ARG A 15 13.210 1.235 2.900 1.00 1.19 O ATOM 228 CB ARG A 15 16.079 3.201 3.096 1.00 0.80 C ATOM 229 CG ARG A 15 16.966 4.218 2.401 1.00 0.96 C ATOM 230 CD ARG A 15 17.715 5.088 3.403 1.00 1.13 C ATOM 231 NE ARG A 15 16.866 5.540 4.500 1.00 1.43 N ATOM 232 CZ ARG A 15 17.331 6.141 5.590 1.00 1.67 C ATOM 233 NH1 ARG A 15 18.632 6.355 5.725 1.00 2.42 N ATOM 234 NH2 ARG A 15 16.497 6.526 6.546 1.00 1.90 N ATOM 0 H ARG A 15 14.016 4.724 1.341 1.00 0.66 H new ATOM 0 HA ARG A 15 14.701 2.650 1.514 1.00 0.67 H new ATOM 0 HB2 ARG A 15 16.002 3.461 4.152 1.00 0.80 H new ATOM 0 HB3 ARG A 15 16.554 2.221 3.042 1.00 0.80 H new ATOM 0 HG2 ARG A 15 17.681 3.701 1.762 1.00 0.96 H new ATOM 0 HG3 ARG A 15 16.358 4.849 1.753 1.00 0.96 H new ATOM 0 HD2 ARG A 15 18.557 4.526 3.808 1.00 1.13 H new ATOM 0 HD3 ARG A 15 18.129 5.955 2.888 1.00 1.13 H new ATOM 0 HE ARG A 15 15.860 5.386 4.426 1.00 1.43 H new ATOM 0 HH11 ARG A 15 19.276 6.058 4.992 1.00 2.42 H new ATOM 0 HH12 ARG A 15 18.989 6.816 6.562 1.00 2.42 H new ATOM 0 HH21 ARG A 15 15.495 6.361 6.446 1.00 1.90 H new ATOM 0 HH22 ARG A 15 16.857 6.987 7.382 1.00 1.90 H new ATOM 248 N HIS A 16 13.777 2.484 4.683 1.00 0.50 N ATOM 249 CA HIS A 16 13.015 1.678 5.640 1.00 0.54 C ATOM 250 C HIS A 16 11.551 2.097 5.712 1.00 0.57 C ATOM 251 O HIS A 16 10.675 1.264 5.945 1.00 0.97 O ATOM 252 CB HIS A 16 13.647 1.776 7.031 1.00 0.67 C ATOM 253 CG HIS A 16 14.992 1.127 7.130 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.452 0.482 8.256 1.00 0.97 N ATOM 255 CD2 HIS A 16 15.987 1.032 6.211 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.684 0.025 7.994 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.055 0.332 6.765 1.00 0.86 N ATOM 0 H HIS A 16 14.270 3.274 5.100 1.00 0.50 H new ATOM 0 HA HIS A 16 13.047 0.647 5.289 1.00 0.54 H new ATOM 0 HB2 HIS A 16 13.740 2.827 7.304 1.00 0.67 H new ATOM 0 HB3 HIS A 16 12.977 1.316 7.757 1.00 0.67 H new ATOM 0 HD1 HIS A 16 14.945 0.372 9.134 1.00 0.97 H new ATOM 0 HD2 HIS A 16 15.955 1.435 5.210 1.00 0.78 H new ATOM 0 HE1 HIS A 16 17.294 -0.523 8.697 1.00 1.02 H new ATOM 265 N THR A 17 11.285 3.379 5.519 1.00 0.43 N ATOM 266 CA THR A 17 9.918 3.879 5.574 1.00 0.42 C ATOM 267 C THR A 17 9.567 4.653 4.311 1.00 0.38 C ATOM 268 O THR A 17 9.951 5.814 4.158 1.00 0.56 O ATOM 269 CB THR A 17 9.731 4.773 6.798 1.00 0.56 C ATOM 270 OG1 THR A 17 10.374 6.021 6.611 1.00 0.65 O ATOM 271 CG2 THR A 17 10.274 4.162 8.072 1.00 0.68 C ATOM 0 H THR A 17 11.991 4.089 5.324 1.00 0.43 H new ATOM 0 HA THR A 17 9.249 3.022 5.649 1.00 0.42 H new ATOM 0 HB THR A 17 8.653 4.897 6.904 1.00 0.56 H new ATOM 0 HG1 THR A 17 10.690 6.091 5.686 1.00 0.65 H new ATOM 0 HG21 THR A 17 10.109 4.848 8.903 1.00 0.68 H new ATOM 0 HG22 THR A 17 9.762 3.221 8.271 1.00 0.68 H new ATOM 0 HG23 THR A 17 11.342 3.977 7.960 1.00 0.68 H new ATOM 279 N VAL A 18 8.830 4.014 3.409 1.00 0.27 N ATOM 280 CA VAL A 18 8.432 4.671 2.172 1.00 0.33 C ATOM 281 C VAL A 18 7.005 5.202 2.286 1.00 0.32 C ATOM 282 O VAL A 18 6.132 4.541 2.837 1.00 0.51 O ATOM 283 CB VAL A 18 8.537 3.744 0.948 1.00 0.44 C ATOM 284 CG1 VAL A 18 9.956 3.238 0.747 1.00 0.46 C ATOM 285 CG2 VAL A 18 7.543 2.614 1.030 1.00 0.80 C ATOM 0 H VAL A 18 8.500 3.054 3.510 1.00 0.27 H new ATOM 0 HA VAL A 18 9.126 5.497 2.021 1.00 0.33 H new ATOM 0 HB VAL A 18 8.284 4.334 0.067 1.00 0.44 H new ATOM 0 HG11 VAL A 18 9.990 2.587 -0.126 1.00 0.46 H new ATOM 0 HG12 VAL A 18 10.626 4.084 0.595 1.00 0.46 H new ATOM 0 HG13 VAL A 18 10.271 2.679 1.628 1.00 0.46 H new ATOM 0 HG21 VAL A 18 7.643 1.977 0.151 1.00 0.80 H new ATOM 0 HG22 VAL A 18 7.734 2.026 1.928 1.00 0.80 H new ATOM 0 HG23 VAL A 18 6.532 3.021 1.071 1.00 0.80 H new ATOM 295 N THR A 19 6.784 6.407 1.776 1.00 0.27 N ATOM 296 CA THR A 19 5.470 7.045 1.833 1.00 0.24 C ATOM 297 C THR A 19 4.711 6.946 0.519 1.00 0.22 C ATOM 298 O THR A 19 5.179 7.472 -0.479 1.00 0.34 O ATOM 299 CB THR A 19 5.631 8.527 2.160 1.00 0.28 C ATOM 300 OG1 THR A 19 6.285 8.712 3.402 1.00 0.35 O ATOM 301 CG2 THR A 19 4.310 9.254 2.212 1.00 0.32 C ATOM 0 H THR A 19 7.501 6.967 1.315 1.00 0.27 H new ATOM 0 HA THR A 19 4.905 6.520 2.603 1.00 0.24 H new ATOM 0 HB THR A 19 6.233 8.943 1.352 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.376 9.671 3.584 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.482 10.304 2.448 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.813 9.176 1.245 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.679 8.808 2.981 1.00 0.32 H new ATOM 309 N LEU A 20 3.528 6.314 0.528 1.00 0.28 N ATOM 310 CA LEU A 20 2.715 6.208 -0.686 1.00 0.26 C ATOM 311 C LEU A 20 1.273 6.638 -0.442 1.00 0.28 C ATOM 312 O LEU A 20 0.734 6.510 0.661 1.00 0.40 O ATOM 313 CB LEU A 20 2.728 4.796 -1.285 1.00 0.33 C ATOM 314 CG LEU A 20 3.078 3.657 -0.331 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.532 3.744 0.072 1.00 0.50 C ATOM 316 CD2 LEU A 20 2.170 3.662 0.888 1.00 0.52 C ATOM 0 H LEU A 20 3.119 5.875 1.353 1.00 0.28 H new ATOM 0 HA LEU A 20 3.174 6.887 -1.404 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.744 4.596 -1.709 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.440 4.782 -2.110 1.00 0.33 H new ATOM 0 HG LEU A 20 2.919 2.712 -0.850 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.770 2.927 0.753 1.00 0.50 H new ATOM 0 HD12 LEU A 20 5.161 3.672 -0.816 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.715 4.696 0.570 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.444 2.839 1.549 1.00 0.52 H new ATOM 0 HD22 LEU A 20 2.280 4.607 1.420 1.00 0.52 H new ATOM 0 HD23 LEU A 20 1.134 3.543 0.571 1.00 0.52 H new ATOM 328 N LYS A 21 0.660 7.145 -1.500 1.00 0.25 N ATOM 329 CA LYS A 21 -0.722 7.602 -1.460 1.00 0.31 C ATOM 330 C LYS A 21 -1.433 7.182 -2.749 1.00 0.31 C ATOM 331 O LYS A 21 -0.779 6.892 -3.752 1.00 0.51 O ATOM 332 CB LYS A 21 -0.759 9.132 -1.225 1.00 0.40 C ATOM 333 CG LYS A 21 -1.359 9.968 -2.352 1.00 0.81 C ATOM 334 CD LYS A 21 -2.874 9.869 -2.364 1.00 0.95 C ATOM 335 CE LYS A 21 -3.525 11.231 -2.189 1.00 1.26 C ATOM 336 NZ LYS A 21 -4.890 11.278 -2.783 1.00 1.84 N ATOM 0 H LYS A 21 1.106 7.252 -2.411 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.255 7.139 -0.629 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -1.326 9.326 -0.314 1.00 0.40 H new ATOM 0 HB3 LYS A 21 0.259 9.477 -1.046 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -1.061 11.010 -2.233 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -0.962 9.630 -3.309 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -3.203 9.426 -3.304 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -3.202 9.203 -1.566 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -3.583 11.471 -1.127 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -2.901 11.994 -2.655 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.880 11.883 -3.629 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -5.186 10.317 -3.049 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -5.558 11.666 -2.087 1.00 1.84 H new ATOM 350 N TRP A 22 -2.761 7.127 -2.725 1.00 0.25 N ATOM 351 CA TRP A 22 -3.509 6.713 -3.906 1.00 0.24 C ATOM 352 C TRP A 22 -4.800 7.498 -4.101 1.00 0.24 C ATOM 353 O TRP A 22 -5.119 8.415 -3.343 1.00 0.40 O ATOM 354 CB TRP A 22 -3.851 5.241 -3.776 1.00 0.27 C ATOM 355 CG TRP A 22 -4.474 4.909 -2.460 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.798 4.711 -2.202 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.790 4.740 -1.217 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.981 4.422 -0.871 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.760 4.435 -0.244 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.450 4.816 -0.835 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.429 4.203 1.090 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.119 4.588 0.487 1.00 0.31 C ATOM 363 CH2 TRP A 22 -3.106 4.284 1.436 1.00 0.32 C ATOM 0 H TRP A 22 -3.334 7.360 -1.914 1.00 0.25 H new ATOM 0 HA TRP A 22 -2.877 6.906 -4.773 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.533 4.958 -4.578 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -2.945 4.649 -3.904 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.588 4.772 -2.936 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.877 4.230 -0.423 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.685 5.049 -1.560 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.187 3.968 1.823 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.085 4.645 0.794 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.817 4.110 2.462 1.00 0.32 H new ATOM 374 N ALA A 23 -5.543 7.103 -5.134 1.00 0.31 N ATOM 375 CA ALA A 23 -6.814 7.724 -5.469 1.00 0.33 C ATOM 376 C ALA A 23 -7.940 7.134 -4.625 1.00 0.36 C ATOM 377 O ALA A 23 -7.697 6.571 -3.559 1.00 0.83 O ATOM 378 CB ALA A 23 -7.106 7.525 -6.950 1.00 0.36 C ATOM 0 H ALA A 23 -5.276 6.343 -5.760 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.751 8.791 -5.255 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.059 7.991 -7.199 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.313 7.982 -7.542 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.155 6.459 -7.171 1.00 0.36 H new ATOM 384 N LYS A 24 -9.172 7.261 -5.110 1.00 0.59 N ATOM 385 CA LYS A 24 -10.326 6.731 -4.399 1.00 0.61 C ATOM 386 C LYS A 24 -11.207 5.903 -5.337 1.00 0.59 C ATOM 387 O LYS A 24 -11.281 6.179 -6.535 1.00 0.69 O ATOM 388 CB LYS A 24 -11.132 7.868 -3.751 1.00 0.74 C ATOM 389 CG LYS A 24 -12.128 8.550 -4.682 1.00 1.21 C ATOM 390 CD LYS A 24 -13.501 7.902 -4.589 1.00 1.22 C ATOM 391 CE LYS A 24 -14.229 8.320 -3.322 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.695 8.457 -3.541 1.00 2.11 N ATOM 0 H LYS A 24 -9.394 7.726 -5.990 1.00 0.59 H new ATOM 0 HA LYS A 24 -9.968 6.075 -3.606 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -11.672 7.469 -2.892 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -10.438 8.617 -3.371 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -12.204 9.607 -4.426 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -11.766 8.496 -5.709 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -14.095 8.179 -5.460 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.395 6.817 -4.608 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.047 7.584 -2.539 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -13.825 9.268 -2.968 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -16.153 8.743 -2.652 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -15.871 9.178 -4.270 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -16.086 7.546 -3.854 1.00 2.11 H new ATOM 406 N PRO A 25 -11.883 4.874 -4.798 1.00 0.56 N ATOM 407 CA PRO A 25 -12.761 3.996 -5.582 1.00 0.63 C ATOM 408 C PRO A 25 -13.744 4.763 -6.460 1.00 0.75 C ATOM 409 O PRO A 25 -13.680 5.986 -6.568 1.00 0.89 O ATOM 410 CB PRO A 25 -13.514 3.214 -4.511 1.00 0.63 C ATOM 411 CG PRO A 25 -12.583 3.175 -3.350 1.00 0.71 C ATOM 412 CD PRO A 25 -11.836 4.478 -3.376 1.00 0.58 C ATOM 0 HA PRO A 25 -12.193 3.378 -6.277 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.453 3.702 -4.250 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.762 2.210 -4.854 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.130 3.057 -2.415 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -11.898 2.331 -3.427 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -12.307 5.224 -2.736 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.811 4.360 -3.026 1.00 0.58 H new ATOM 420 N GLU A 26 -14.658 4.031 -7.090 1.00 0.85 N ATOM 421 CA GLU A 26 -15.653 4.642 -7.962 1.00 1.05 C ATOM 422 C GLU A 26 -17.075 4.369 -7.473 1.00 0.95 C ATOM 423 O GLU A 26 -17.978 5.175 -7.698 1.00 1.12 O ATOM 424 CB GLU A 26 -15.493 4.128 -9.393 1.00 1.29 C ATOM 425 CG GLU A 26 -14.105 4.351 -9.972 1.00 1.83 C ATOM 426 CD GLU A 26 -14.144 4.884 -11.392 1.00 2.18 C ATOM 427 OE1 GLU A 26 -15.067 5.663 -11.707 1.00 2.53 O ATOM 428 OE2 GLU A 26 -13.252 4.519 -12.187 1.00 2.77 O ATOM 0 H GLU A 26 -14.729 3.016 -7.013 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.488 5.719 -7.942 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -15.718 3.062 -9.414 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -16.226 4.621 -10.031 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -13.560 5.052 -9.340 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -13.553 3.411 -9.956 1.00 1.83 H new ATOM 435 N TYR A 27 -17.278 3.232 -6.811 1.00 0.85 N ATOM 436 CA TYR A 27 -18.604 2.879 -6.313 1.00 0.84 C ATOM 437 C TYR A 27 -18.574 2.486 -4.837 1.00 0.86 C ATOM 438 O TYR A 27 -19.098 3.204 -3.987 1.00 1.37 O ATOM 439 CB TYR A 27 -19.197 1.736 -7.139 1.00 0.86 C ATOM 440 CG TYR A 27 -20.709 1.711 -7.126 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.445 2.677 -7.801 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.399 0.721 -6.440 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.826 2.655 -7.794 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.780 0.692 -6.428 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.489 1.670 -7.097 1.00 1.19 C ATOM 446 OH TYR A 27 -24.864 1.633 -7.095 1.00 1.35 O ATOM 0 H TYR A 27 -16.550 2.547 -6.609 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.232 3.765 -6.412 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.851 1.823 -8.169 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.821 0.787 -6.756 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.929 3.458 -8.340 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.847 -0.039 -5.907 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -23.383 3.407 -8.333 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -23.302 -0.091 -5.898 1.00 1.04 H new ATOM 0 HH TYR A 27 -25.170 0.874 -6.556 1.00 1.35 H new ATOM 456 N THR A 28 -17.969 1.338 -4.545 1.00 0.65 N ATOM 457 CA THR A 28 -17.884 0.840 -3.174 1.00 0.61 C ATOM 458 C THR A 28 -19.274 0.665 -2.582 1.00 0.66 C ATOM 459 O THR A 28 -19.535 1.070 -1.449 1.00 0.81 O ATOM 460 CB THR A 28 -17.059 1.781 -2.296 1.00 0.64 C ATOM 461 OG1 THR A 28 -17.798 2.944 -1.968 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.768 2.224 -2.941 1.00 0.79 C ATOM 0 H THR A 28 -17.530 0.734 -5.240 1.00 0.65 H new ATOM 0 HA THR A 28 -17.386 -0.129 -3.203 1.00 0.61 H new ATOM 0 HB THR A 28 -16.820 1.203 -1.404 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.564 3.026 -2.574 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.233 2.889 -2.264 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.151 1.352 -3.156 1.00 0.79 H new ATOM 0 HG23 THR A 28 -15.987 2.751 -3.870 1.00 0.79 H new ATOM 470 N GLY A 29 -20.165 0.053 -3.357 1.00 0.75 N ATOM 471 CA GLY A 29 -21.523 -0.172 -2.898 1.00 0.80 C ATOM 472 C GLY A 29 -22.125 1.056 -2.234 1.00 0.85 C ATOM 473 O GLY A 29 -22.599 1.969 -2.912 1.00 1.01 O ATOM 0 H GLY A 29 -19.969 -0.292 -4.297 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.145 -0.465 -3.744 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.532 -1.003 -2.193 1.00 0.80 H new ATOM 477 N GLY A 30 -22.095 1.080 -0.907 1.00 0.83 N ATOM 478 CA GLY A 30 -22.628 2.208 -0.163 1.00 0.89 C ATOM 479 C GLY A 30 -21.740 2.562 1.013 1.00 0.85 C ATOM 480 O GLY A 30 -22.188 3.164 1.989 1.00 0.98 O ATOM 0 H GLY A 30 -21.709 0.334 -0.329 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.721 3.070 -0.823 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.630 1.970 0.194 1.00 0.89 H new ATOM 484 N PHE A 31 -20.475 2.167 0.913 1.00 0.73 N ATOM 485 CA PHE A 31 -19.492 2.409 1.959 1.00 0.69 C ATOM 486 C PHE A 31 -18.561 3.558 1.586 1.00 0.67 C ATOM 487 O PHE A 31 -18.727 4.195 0.545 1.00 0.74 O ATOM 488 CB PHE A 31 -18.659 1.143 2.188 1.00 0.63 C ATOM 489 CG PHE A 31 -19.330 -0.134 1.745 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.306 -0.726 2.535 1.00 0.79 C ATOM 491 CD2 PHE A 31 -18.981 -0.740 0.549 1.00 0.64 C ATOM 492 CE1 PHE A 31 -20.921 -1.897 2.137 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.595 -1.912 0.147 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.570 -2.481 0.918 1.00 0.83 C ATOM 0 H PHE A 31 -20.104 1.670 0.103 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.028 2.676 2.870 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -17.712 1.245 1.657 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.423 1.066 3.249 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -20.587 -0.266 3.471 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.222 -0.293 -0.076 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -21.669 -2.358 2.765 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.303 -2.380 -0.781 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.068 -3.380 0.585 1.00 0.83 H new ATOM 504 N LYS A 32 -17.576 3.806 2.441 1.00 0.68 N ATOM 505 CA LYS A 32 -16.602 4.868 2.209 1.00 0.72 C ATOM 506 C LYS A 32 -15.174 4.389 2.489 1.00 0.66 C ATOM 507 O LYS A 32 -14.234 5.179 2.451 1.00 0.74 O ATOM 508 CB LYS A 32 -16.918 6.082 3.087 1.00 0.86 C ATOM 509 CG LYS A 32 -15.902 7.210 2.961 1.00 1.38 C ATOM 510 CD LYS A 32 -14.919 7.215 4.124 1.00 1.38 C ATOM 511 CE LYS A 32 -14.746 8.608 4.707 1.00 1.50 C ATOM 512 NZ LYS A 32 -15.903 9.005 5.555 1.00 2.26 N ATOM 0 H LYS A 32 -17.430 3.284 3.305 1.00 0.68 H new ATOM 0 HA LYS A 32 -16.669 5.152 1.159 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -17.905 6.463 2.824 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -16.967 5.763 4.128 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -15.356 7.105 2.023 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -16.423 8.166 2.921 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -15.271 6.536 4.901 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -13.953 6.839 3.786 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -13.833 8.642 5.301 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -14.626 9.328 3.897 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -15.745 9.961 5.933 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -16.771 8.998 4.983 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -16.002 8.334 6.343 1.00 2.26 H new ATOM 526 N ILE A 33 -15.015 3.096 2.774 1.00 0.67 N ATOM 527 CA ILE A 33 -13.701 2.537 3.062 1.00 0.66 C ATOM 528 C ILE A 33 -13.052 3.255 4.236 1.00 0.80 C ATOM 529 O ILE A 33 -12.471 4.329 4.083 1.00 1.71 O ATOM 530 CB ILE A 33 -12.771 2.603 1.838 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.444 1.927 0.640 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.435 1.947 2.160 1.00 0.58 C ATOM 533 CD1 ILE A 33 -12.521 1.697 -0.535 1.00 0.91 C ATOM 0 H ILE A 33 -15.779 2.421 2.811 1.00 0.67 H new ATOM 0 HA ILE A 33 -13.851 1.489 3.321 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.581 3.645 1.582 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -13.854 0.969 0.960 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.284 2.541 0.314 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -10.784 1.999 1.287 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -10.965 2.468 2.994 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.598 0.903 2.429 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.073 1.215 -1.342 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -12.130 2.653 -0.883 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -11.694 1.057 -0.228 1.00 0.91 H new ATOM 545 N THR A 34 -13.169 2.650 5.412 1.00 0.72 N ATOM 546 CA THR A 34 -12.611 3.221 6.630 1.00 0.73 C ATOM 547 C THR A 34 -11.340 2.488 7.055 1.00 0.59 C ATOM 548 O THR A 34 -11.028 2.419 8.244 1.00 0.76 O ATOM 549 CB THR A 34 -13.646 3.164 7.760 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.567 1.930 8.449 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.075 3.332 7.280 1.00 1.15 C ATOM 0 H THR A 34 -13.648 1.760 5.547 1.00 0.72 H new ATOM 0 HA THR A 34 -12.353 4.260 6.426 1.00 0.73 H new ATOM 0 HB THR A 34 -13.402 4.000 8.415 1.00 0.99 H new ATOM 0 HG1 THR A 34 -12.721 1.884 8.942 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.753 3.281 8.132 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.182 4.299 6.788 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.318 2.537 6.575 1.00 1.15 H new ATOM 559 N SER A 35 -10.608 1.939 6.088 1.00 0.49 N ATOM 560 CA SER A 35 -9.375 1.216 6.395 1.00 0.47 C ATOM 561 C SER A 35 -8.675 0.719 5.134 1.00 0.45 C ATOM 562 O SER A 35 -9.210 -0.111 4.399 1.00 0.72 O ATOM 563 CB SER A 35 -9.673 0.029 7.314 1.00 0.64 C ATOM 564 OG SER A 35 -11.067 -0.133 7.509 1.00 1.58 O ATOM 0 H SER A 35 -10.843 1.980 5.096 1.00 0.49 H new ATOM 0 HA SER A 35 -8.707 1.916 6.898 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.256 -0.881 6.883 1.00 0.64 H new ATOM 0 HB3 SER A 35 -9.184 0.180 8.276 1.00 0.64 H new ATOM 0 HG SER A 35 -11.228 -0.899 8.099 1.00 1.58 H new ATOM 570 N TYR A 36 -7.467 1.225 4.896 1.00 0.27 N ATOM 571 CA TYR A 36 -6.681 0.825 3.735 1.00 0.28 C ATOM 572 C TYR A 36 -5.473 -0.001 4.172 1.00 0.33 C ATOM 573 O TYR A 36 -4.518 0.533 4.734 1.00 0.68 O ATOM 574 CB TYR A 36 -6.208 2.058 2.962 1.00 0.29 C ATOM 575 CG TYR A 36 -7.294 2.729 2.149 1.00 0.33 C ATOM 576 CD1 TYR A 36 -7.872 2.087 1.062 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.742 4.005 2.472 1.00 0.57 C ATOM 578 CE1 TYR A 36 -8.860 2.698 0.315 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.732 4.623 1.729 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.289 3.965 0.654 1.00 0.60 C ATOM 581 OH TYR A 36 -10.274 4.576 -0.087 1.00 0.76 O ATOM 0 H TYR A 36 -7.012 1.914 5.494 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.312 0.218 3.086 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.797 2.781 3.667 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.397 1.767 2.295 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -7.543 1.093 0.796 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -7.310 4.522 3.316 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -9.295 2.186 -0.531 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -9.067 5.616 1.990 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.460 5.463 0.285 1.00 0.76 H new ATOM 591 N ILE A 37 -5.514 -1.304 3.913 1.00 0.24 N ATOM 592 CA ILE A 37 -4.411 -2.185 4.290 1.00 0.26 C ATOM 593 C ILE A 37 -3.393 -2.302 3.162 1.00 0.33 C ATOM 594 O ILE A 37 -3.708 -2.799 2.082 1.00 0.70 O ATOM 595 CB ILE A 37 -4.887 -3.605 4.677 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.315 -3.586 5.231 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.936 -4.203 5.704 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.447 -2.786 6.506 1.00 1.14 C ATOM 0 H ILE A 37 -6.292 -1.772 3.447 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.950 -1.727 5.165 1.00 0.26 H new ATOM 0 HB ILE A 37 -4.887 -4.220 3.777 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.985 -3.171 4.478 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.640 -4.610 5.417 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.274 -5.203 5.974 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.933 -4.261 5.281 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.918 -3.573 6.594 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.482 -2.812 6.846 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -5.802 -3.215 7.273 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.152 -1.753 6.320 1.00 1.14 H new ATOM 610 N VAL A 38 -2.171 -1.838 3.419 1.00 0.36 N ATOM 611 CA VAL A 38 -1.109 -1.888 2.419 1.00 0.42 C ATOM 612 C VAL A 38 -0.299 -3.178 2.516 1.00 0.35 C ATOM 613 O VAL A 38 0.348 -3.441 3.531 1.00 0.48 O ATOM 614 CB VAL A 38 -0.131 -0.701 2.554 1.00 0.63 C ATOM 615 CG1 VAL A 38 0.679 -0.534 1.279 1.00 0.51 C ATOM 616 CG2 VAL A 38 -0.858 0.588 2.898 1.00 0.46 C ATOM 0 H VAL A 38 -1.894 -1.424 4.309 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.613 -1.839 1.454 1.00 0.42 H new ATOM 0 HB VAL A 38 0.549 -0.924 3.376 1.00 0.63 H new ATOM 0 HG11 VAL A 38 1.364 0.307 1.390 1.00 0.51 H new ATOM 0 HG12 VAL A 38 1.249 -1.443 1.088 1.00 0.51 H new ATOM 0 HG13 VAL A 38 0.006 -0.346 0.442 1.00 0.51 H new ATOM 0 HG21 VAL A 38 -0.137 1.401 2.985 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -1.575 0.822 2.112 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -1.384 0.467 3.845 1.00 0.46 H new ATOM 626 N GLU A 39 -0.321 -3.969 1.448 1.00 0.30 N ATOM 627 CA GLU A 39 0.431 -5.218 1.407 1.00 0.33 C ATOM 628 C GLU A 39 1.759 -4.987 0.695 1.00 0.32 C ATOM 629 O GLU A 39 1.798 -4.334 -0.343 1.00 0.43 O ATOM 630 CB GLU A 39 -0.370 -6.306 0.689 1.00 0.42 C ATOM 631 CG GLU A 39 -1.760 -6.518 1.264 1.00 0.51 C ATOM 632 CD GLU A 39 -1.858 -7.769 2.114 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.456 -8.849 1.630 1.00 1.52 O ATOM 634 OE2 GLU A 39 -2.336 -7.671 3.263 1.00 1.67 O ATOM 0 H GLU A 39 -0.851 -3.767 0.600 1.00 0.30 H new ATOM 0 HA GLU A 39 0.620 -5.551 2.427 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.458 -6.044 -0.365 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.182 -7.245 0.739 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -2.035 -5.652 1.866 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.480 -6.581 0.448 1.00 0.51 H new ATOM 641 N LYS A 40 2.845 -5.509 1.257 1.00 0.28 N ATOM 642 CA LYS A 40 4.167 -5.327 0.656 1.00 0.31 C ATOM 643 C LYS A 40 4.741 -6.631 0.122 1.00 0.29 C ATOM 644 O LYS A 40 4.530 -7.703 0.691 1.00 0.35 O ATOM 645 CB LYS A 40 5.147 -4.712 1.661 1.00 0.43 C ATOM 646 CG LYS A 40 4.856 -5.061 3.111 1.00 0.92 C ATOM 647 CD LYS A 40 6.135 -5.121 3.932 1.00 1.14 C ATOM 648 CE LYS A 40 6.949 -3.839 3.812 1.00 1.65 C ATOM 649 NZ LYS A 40 8.412 -4.101 3.884 1.00 1.97 N ATOM 0 H LYS A 40 2.840 -6.056 2.118 1.00 0.28 H new ATOM 0 HA LYS A 40 4.034 -4.646 -0.184 1.00 0.31 H new ATOM 0 HB2 LYS A 40 6.156 -5.042 1.415 1.00 0.43 H new ATOM 0 HB3 LYS A 40 5.131 -3.628 1.550 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.182 -4.318 3.538 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.344 -6.022 3.160 1.00 0.92 H new ATOM 0 HD2 LYS A 40 5.886 -5.296 4.979 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.739 -5.966 3.602 1.00 1.14 H new ATOM 0 HE2 LYS A 40 6.714 -3.347 2.868 1.00 1.65 H new ATOM 0 HE3 LYS A 40 6.664 -3.152 4.609 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 8.930 -3.291 3.487 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 8.692 -4.238 4.876 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 8.639 -4.957 3.339 1.00 1.97 H new ATOM 663 N ARG A 41 5.482 -6.518 -0.975 1.00 0.36 N ATOM 664 CA ARG A 41 6.113 -7.667 -1.606 1.00 0.40 C ATOM 665 C ARG A 41 7.630 -7.510 -1.591 1.00 0.41 C ATOM 666 O ARG A 41 8.192 -6.743 -2.377 1.00 0.43 O ATOM 667 CB ARG A 41 5.619 -7.820 -3.047 1.00 0.46 C ATOM 668 CG ARG A 41 6.066 -9.111 -3.710 1.00 0.58 C ATOM 669 CD ARG A 41 5.709 -9.136 -5.188 1.00 0.88 C ATOM 670 NE ARG A 41 4.733 -10.177 -5.498 1.00 0.95 N ATOM 671 CZ ARG A 41 4.282 -10.423 -6.724 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.719 -9.705 -7.749 1.00 1.44 N ATOM 673 NH2 ARG A 41 3.396 -11.387 -6.928 1.00 1.44 N ATOM 0 H ARG A 41 5.660 -5.632 -1.448 1.00 0.36 H new ATOM 0 HA ARG A 41 5.844 -8.562 -1.044 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.530 -7.775 -3.055 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.977 -6.976 -3.636 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.144 -9.226 -3.594 1.00 0.58 H new ATOM 0 HG3 ARG A 41 5.599 -9.959 -3.208 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.309 -8.165 -5.481 1.00 0.88 H new ATOM 0 HD3 ARG A 41 6.612 -9.299 -5.776 1.00 0.88 H new ATOM 0 HE ARG A 41 4.377 -10.747 -4.731 1.00 0.95 H new ATOM 0 HH11 ARG A 41 5.402 -8.963 -7.597 1.00 1.44 H new ATOM 0 HH12 ARG A 41 4.372 -9.895 -8.689 1.00 1.44 H new ATOM 0 HH21 ARG A 41 3.058 -11.943 -6.143 1.00 1.44 H new ATOM 0 HH22 ARG A 41 3.052 -11.573 -7.870 1.00 1.44 H new ATOM 687 N ASP A 42 8.288 -8.233 -0.686 1.00 0.50 N ATOM 688 CA ASP A 42 9.740 -8.170 -0.565 1.00 0.57 C ATOM 689 C ASP A 42 10.411 -8.884 -1.723 1.00 0.62 C ATOM 690 O ASP A 42 10.643 -10.092 -1.675 1.00 0.91 O ATOM 691 CB ASP A 42 10.197 -8.788 0.752 1.00 0.71 C ATOM 692 CG ASP A 42 9.205 -9.800 1.287 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.206 -10.077 0.591 1.00 1.49 O ATOM 694 OD2 ASP A 42 9.427 -10.318 2.403 1.00 1.59 O ATOM 0 H ASP A 42 7.837 -8.868 -0.027 1.00 0.50 H new ATOM 0 HA ASP A 42 10.030 -7.119 -0.585 1.00 0.57 H new ATOM 0 HB2 ASP A 42 11.163 -9.271 0.608 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.342 -7.999 1.490 1.00 0.71 H new ATOM 699 N LEU A 43 10.723 -8.129 -2.760 1.00 0.63 N ATOM 700 CA LEU A 43 11.371 -8.687 -3.937 1.00 0.68 C ATOM 701 C LEU A 43 12.819 -9.068 -3.627 1.00 0.81 C ATOM 702 O LEU A 43 13.461 -8.445 -2.782 1.00 0.90 O ATOM 703 CB LEU A 43 11.319 -7.693 -5.095 1.00 0.62 C ATOM 704 CG LEU A 43 9.934 -7.103 -5.365 1.00 0.64 C ATOM 705 CD1 LEU A 43 10.019 -5.975 -6.377 1.00 0.80 C ATOM 706 CD2 LEU A 43 8.980 -8.183 -5.847 1.00 0.70 C ATOM 0 H LEU A 43 10.539 -7.127 -2.813 1.00 0.63 H new ATOM 0 HA LEU A 43 10.834 -9.590 -4.228 1.00 0.68 H new ATOM 0 HB2 LEU A 43 12.013 -6.878 -4.889 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.671 -8.190 -5.999 1.00 0.62 H new ATOM 0 HG LEU A 43 9.548 -6.694 -4.431 1.00 0.64 H new ATOM 0 HD11 LEU A 43 9.023 -5.570 -6.554 1.00 0.80 H new ATOM 0 HD12 LEU A 43 10.668 -5.188 -5.991 1.00 0.80 H new ATOM 0 HD13 LEU A 43 10.428 -6.356 -7.313 1.00 0.80 H new ATOM 0 HD21 LEU A 43 7.999 -7.745 -6.034 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.363 -8.622 -6.768 1.00 0.70 H new ATOM 0 HD23 LEU A 43 8.892 -8.957 -5.085 1.00 0.70 H new ATOM 718 N PRO A 44 13.353 -10.104 -4.303 1.00 0.92 N ATOM 719 CA PRO A 44 12.629 -10.877 -5.321 1.00 0.99 C ATOM 720 C PRO A 44 11.591 -11.829 -4.723 1.00 1.15 C ATOM 721 O PRO A 44 10.691 -12.289 -5.424 1.00 1.43 O ATOM 722 CB PRO A 44 13.734 -11.683 -6.025 1.00 1.15 C ATOM 723 CG PRO A 44 15.026 -11.149 -5.496 1.00 1.25 C ATOM 724 CD PRO A 44 14.721 -10.599 -4.135 1.00 1.08 C ATOM 0 HA PRO A 44 12.065 -10.221 -5.984 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.636 -12.748 -5.815 1.00 1.15 H new ATOM 0 HB3 PRO A 44 13.676 -11.565 -7.107 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.779 -11.935 -5.439 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.424 -10.373 -6.150 1.00 1.25 H new ATOM 0 HD2 PRO A 44 14.785 -11.365 -3.362 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.411 -9.803 -3.853 1.00 1.08 H new ATOM 732 N ASN A 45 11.715 -12.124 -3.429 1.00 1.14 N ATOM 733 CA ASN A 45 10.777 -13.028 -2.769 1.00 1.33 C ATOM 734 C ASN A 45 9.335 -12.584 -3.016 1.00 1.43 C ATOM 735 O ASN A 45 8.720 -12.985 -4.004 1.00 2.42 O ATOM 736 CB ASN A 45 11.072 -13.105 -1.268 1.00 1.66 C ATOM 737 CG ASN A 45 12.394 -13.787 -0.975 1.00 1.93 C ATOM 738 OD1 ASN A 45 12.458 -15.008 -0.833 1.00 2.66 O ATOM 739 ND2 ASN A 45 13.458 -12.998 -0.886 1.00 1.89 N ATOM 0 H ASN A 45 12.448 -11.754 -2.824 1.00 1.14 H new ATOM 0 HA ASN A 45 10.902 -14.024 -3.194 1.00 1.33 H new ATOM 0 HB2 ASN A 45 11.085 -12.098 -0.851 1.00 1.66 H new ATOM 0 HB3 ASN A 45 10.268 -13.647 -0.769 1.00 1.66 H new ATOM 0 HD21 ASN A 45 14.376 -13.399 -0.693 1.00 1.89 H new ATOM 0 HD22 ASN A 45 13.358 -11.991 -1.011 1.00 1.89 H new ATOM 746 N GLY A 46 8.800 -11.751 -2.124 1.00 0.90 N ATOM 747 CA GLY A 46 7.440 -11.274 -2.291 1.00 1.12 C ATOM 748 C GLY A 46 6.403 -12.188 -1.668 1.00 0.76 C ATOM 749 O GLY A 46 6.330 -13.371 -1.999 1.00 0.96 O ATOM 0 H GLY A 46 9.282 -11.401 -1.296 1.00 0.90 H new ATOM 0 HA2 GLY A 46 7.353 -10.282 -1.848 1.00 1.12 H new ATOM 0 HA3 GLY A 46 7.228 -11.167 -3.355 1.00 1.12 H new ATOM 753 N ARG A 47 5.594 -11.637 -0.767 1.00 0.80 N ATOM 754 CA ARG A 47 4.551 -12.413 -0.103 1.00 0.76 C ATOM 755 C ARG A 47 3.367 -11.535 0.318 1.00 0.85 C ATOM 756 O ARG A 47 2.559 -11.949 1.148 1.00 1.71 O ATOM 757 CB ARG A 47 5.128 -13.132 1.120 1.00 0.99 C ATOM 758 CG ARG A 47 5.980 -12.239 2.007 1.00 1.31 C ATOM 759 CD ARG A 47 5.163 -11.642 3.141 1.00 1.11 C ATOM 760 NE ARG A 47 5.846 -11.748 4.426 1.00 1.41 N ATOM 761 CZ ARG A 47 6.824 -10.934 4.810 1.00 1.71 C ATOM 762 NH1 ARG A 47 7.231 -9.959 4.007 1.00 2.41 N ATOM 763 NH2 ARG A 47 7.397 -11.094 5.995 1.00 2.03 N ATOM 0 H ARG A 47 5.640 -10.659 -0.481 1.00 0.80 H new ATOM 0 HA ARG A 47 4.182 -13.148 -0.819 1.00 0.76 H new ATOM 0 HB2 ARG A 47 4.308 -13.540 1.711 1.00 0.99 H new ATOM 0 HB3 ARG A 47 5.730 -13.976 0.784 1.00 0.99 H new ATOM 0 HG2 ARG A 47 6.809 -12.816 2.418 1.00 1.31 H new ATOM 0 HG3 ARG A 47 6.415 -11.438 1.409 1.00 1.31 H new ATOM 0 HD2 ARG A 47 4.957 -10.593 2.926 1.00 1.11 H new ATOM 0 HD3 ARG A 47 4.200 -12.150 3.200 1.00 1.11 H new ATOM 0 HE ARG A 47 5.557 -12.488 5.065 1.00 1.41 H new ATOM 0 HH11 ARG A 47 6.793 -9.834 3.094 1.00 2.41 H new ATOM 0 HH12 ARG A 47 7.982 -9.335 4.303 1.00 2.41 H new ATOM 0 HH21 ARG A 47 7.087 -11.843 6.614 1.00 2.03 H new ATOM 0 HH22 ARG A 47 8.147 -10.468 6.287 1.00 2.03 H new ATOM 777 N TRP A 48 3.272 -10.327 -0.266 1.00 0.50 N ATOM 778 CA TRP A 48 2.191 -9.368 0.030 1.00 0.43 C ATOM 779 C TRP A 48 1.638 -9.512 1.448 1.00 0.45 C ATOM 780 O TRP A 48 0.802 -10.377 1.710 1.00 0.65 O ATOM 781 CB TRP A 48 1.055 -9.517 -0.979 1.00 0.47 C ATOM 782 CG TRP A 48 1.516 -9.379 -2.394 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.504 -10.343 -3.356 1.00 0.52 C ATOM 784 CD2 TRP A 48 2.071 -8.208 -3.003 1.00 0.39 C ATOM 785 NE1 TRP A 48 2.014 -9.842 -4.528 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.369 -8.534 -4.336 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.343 -6.914 -2.550 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.925 -7.615 -5.223 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.894 -6.004 -3.430 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.180 -6.357 -4.752 1.00 0.38 C ATOM 0 H TRP A 48 3.942 -9.988 -0.956 1.00 0.50 H new ATOM 0 HA TRP A 48 2.631 -8.374 -0.048 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.584 -10.491 -0.848 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.293 -8.765 -0.775 1.00 0.47 H new ATOM 0 HD1 TRP A 48 1.146 -11.353 -3.217 1.00 0.52 H new ATOM 0 HE1 TRP A 48 2.112 -10.361 -5.401 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.126 -6.631 -1.530 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 3.146 -7.886 -6.245 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.108 -5.001 -3.091 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.611 -5.621 -5.415 1.00 0.38 H new ATOM 801 N LEU A 49 2.103 -8.664 2.357 1.00 0.38 N ATOM 802 CA LEU A 49 1.643 -8.711 3.740 1.00 0.42 C ATOM 803 C LEU A 49 1.350 -7.312 4.272 1.00 0.36 C ATOM 804 O LEU A 49 2.144 -6.388 4.094 1.00 0.39 O ATOM 805 CB LEU A 49 2.678 -9.408 4.626 1.00 0.52 C ATOM 806 CG LEU A 49 2.183 -10.693 5.293 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.716 -11.689 4.243 1.00 0.84 C ATOM 808 CD2 LEU A 49 3.271 -11.301 6.165 1.00 1.28 C ATOM 0 H LEU A 49 2.794 -7.939 2.164 1.00 0.38 H new ATOM 0 HA LEU A 49 0.716 -9.284 3.764 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.555 -9.642 4.023 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.001 -8.713 5.401 1.00 0.52 H new ATOM 0 HG LEU A 49 1.336 -10.444 5.933 1.00 0.67 H new ATOM 0 HD11 LEU A 49 1.367 -12.598 4.733 1.00 0.84 H new ATOM 0 HD12 LEU A 49 0.901 -11.253 3.665 1.00 0.84 H new ATOM 0 HD13 LEU A 49 2.544 -11.931 3.577 1.00 0.84 H new ATOM 0 HD21 LEU A 49 2.897 -12.214 6.629 1.00 1.28 H new ATOM 0 HD22 LEU A 49 4.140 -11.536 5.551 1.00 1.28 H new ATOM 0 HD23 LEU A 49 3.556 -10.590 6.940 1.00 1.28 H new ATOM 820 N LYS A 50 0.201 -7.169 4.925 1.00 0.40 N ATOM 821 CA LYS A 50 -0.211 -5.886 5.487 1.00 0.40 C ATOM 822 C LYS A 50 0.895 -5.282 6.346 1.00 0.47 C ATOM 823 O LYS A 50 1.159 -5.749 7.455 1.00 0.85 O ATOM 824 CB LYS A 50 -1.487 -6.056 6.317 1.00 0.59 C ATOM 825 CG LYS A 50 -1.296 -6.905 7.562 1.00 0.72 C ATOM 826 CD LYS A 50 -2.626 -7.414 8.094 1.00 1.03 C ATOM 827 CE LYS A 50 -3.416 -6.305 8.768 1.00 0.86 C ATOM 828 NZ LYS A 50 -2.892 -5.995 10.127 1.00 1.30 N ATOM 0 H LYS A 50 -0.463 -7.928 5.079 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.411 -5.204 4.660 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.852 -5.072 6.611 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.258 -6.509 5.694 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -0.647 -7.750 7.332 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.795 -6.318 8.332 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.211 -7.833 7.275 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -2.450 -8.221 8.805 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -3.379 -5.407 8.151 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -4.463 -6.598 8.841 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -3.479 -5.257 10.566 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -2.919 -6.853 10.714 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -1.911 -5.658 10.052 1.00 1.30 H new ATOM 842 N ALA A 51 1.537 -4.239 5.828 1.00 0.45 N ATOM 843 CA ALA A 51 2.612 -3.568 6.549 1.00 0.63 C ATOM 844 C ALA A 51 2.056 -2.756 7.712 1.00 0.55 C ATOM 845 O ALA A 51 2.441 -2.956 8.864 1.00 0.72 O ATOM 846 CB ALA A 51 3.405 -2.675 5.608 1.00 0.86 C ATOM 0 H ALA A 51 1.331 -3.841 4.912 1.00 0.45 H new ATOM 0 HA ALA A 51 3.281 -4.328 6.952 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.204 -2.181 6.162 1.00 0.86 H new ATOM 0 HB2 ALA A 51 3.836 -3.279 4.810 1.00 0.86 H new ATOM 0 HB3 ALA A 51 2.744 -1.923 5.177 1.00 0.86 H new ATOM 852 N ASN A 52 1.144 -1.840 7.402 1.00 0.42 N ATOM 853 CA ASN A 52 0.529 -0.998 8.420 1.00 0.43 C ATOM 854 C ASN A 52 -0.154 -1.854 9.483 1.00 0.59 C ATOM 855 O ASN A 52 -1.136 -2.542 9.203 1.00 1.60 O ATOM 856 CB ASN A 52 -0.481 -0.043 7.782 1.00 0.38 C ATOM 857 CG ASN A 52 -1.720 -0.759 7.276 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.665 -1.503 6.298 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.846 -0.536 7.944 1.00 0.62 N ATOM 0 H ASN A 52 0.815 -1.662 6.453 1.00 0.42 H new ATOM 0 HA ASN A 52 1.312 -0.411 8.899 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.774 0.711 8.512 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -0.006 0.483 6.954 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.711 -0.990 7.651 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.846 0.089 8.750 1.00 0.62 H new ATOM 866 N PHE A 53 0.373 -1.809 10.701 1.00 0.81 N ATOM 867 CA PHE A 53 -0.183 -2.583 11.804 1.00 0.82 C ATOM 868 C PHE A 53 -1.020 -1.704 12.729 1.00 0.84 C ATOM 869 O PHE A 53 -1.202 -2.023 13.904 1.00 1.20 O ATOM 870 CB PHE A 53 0.940 -3.247 12.601 1.00 0.96 C ATOM 871 CG PHE A 53 1.318 -4.607 12.090 1.00 1.15 C ATOM 872 CD1 PHE A 53 0.343 -5.537 11.769 1.00 1.32 C ATOM 873 CD2 PHE A 53 2.649 -4.955 11.932 1.00 1.68 C ATOM 874 CE1 PHE A 53 0.688 -6.789 11.299 1.00 1.66 C ATOM 875 CE2 PHE A 53 3.002 -6.206 11.462 1.00 2.08 C ATOM 876 CZ PHE A 53 2.020 -7.124 11.145 1.00 1.96 C ATOM 0 H PHE A 53 1.185 -1.244 10.950 1.00 0.81 H new ATOM 0 HA PHE A 53 -0.831 -3.351 11.381 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.819 -2.603 12.579 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.633 -3.332 13.643 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -0.699 -5.280 11.888 1.00 1.32 H new ATOM 0 HD2 PHE A 53 3.420 -4.241 12.179 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -0.082 -7.505 11.052 1.00 1.66 H new ATOM 0 HE2 PHE A 53 4.044 -6.465 11.343 1.00 2.08 H new ATOM 0 HZ PHE A 53 2.293 -8.102 10.777 1.00 1.96 H new ATOM 886 N SER A 54 -1.524 -0.597 12.195 1.00 0.79 N ATOM 887 CA SER A 54 -2.339 0.324 12.978 1.00 0.89 C ATOM 888 C SER A 54 -3.680 0.572 12.297 1.00 0.95 C ATOM 889 O SER A 54 -4.686 -0.049 12.638 1.00 1.89 O ATOM 890 CB SER A 54 -1.600 1.648 13.179 1.00 1.00 C ATOM 891 OG SER A 54 -2.503 2.689 13.511 1.00 1.71 O ATOM 0 H SER A 54 -1.383 -0.316 11.225 1.00 0.79 H new ATOM 0 HA SER A 54 -2.525 -0.129 13.952 1.00 0.89 H new ATOM 0 HB2 SER A 54 -0.859 1.538 13.971 1.00 1.00 H new ATOM 0 HB3 SER A 54 -1.058 1.908 12.269 1.00 1.00 H new ATOM 0 HG SER A 54 -2.007 3.525 13.636 1.00 1.71 H new ATOM 897 N ASN A 55 -3.685 1.484 11.331 1.00 0.75 N ATOM 898 CA ASN A 55 -4.899 1.818 10.597 1.00 0.69 C ATOM 899 C ASN A 55 -4.626 2.926 9.587 1.00 0.66 C ATOM 900 O ASN A 55 -3.875 3.861 9.867 1.00 1.05 O ATOM 901 CB ASN A 55 -6.007 2.249 11.559 1.00 0.84 C ATOM 902 CG ASN A 55 -7.340 1.604 11.233 1.00 1.11 C ATOM 903 OD1 ASN A 55 -7.883 0.839 12.029 1.00 1.87 O ATOM 904 ND2 ASN A 55 -7.873 1.909 10.054 1.00 0.83 N ATOM 0 H ASN A 55 -2.859 2.006 11.038 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.227 0.928 10.061 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -5.721 1.989 12.578 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.113 3.333 11.524 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -8.767 1.504 9.778 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -7.388 2.549 9.425 1.00 0.83 H new ATOM 911 N ILE A 56 -5.234 2.814 8.414 1.00 0.40 N ATOM 912 CA ILE A 56 -5.048 3.804 7.363 1.00 0.33 C ATOM 913 C ILE A 56 -6.387 4.355 6.881 1.00 0.31 C ATOM 914 O ILE A 56 -6.903 3.942 5.843 1.00 0.53 O ATOM 915 CB ILE A 56 -4.280 3.201 6.171 1.00 0.32 C ATOM 916 CG1 ILE A 56 -2.955 2.596 6.650 1.00 0.43 C ATOM 917 CG2 ILE A 56 -4.043 4.255 5.099 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.073 2.078 5.534 1.00 0.69 C ATOM 0 H ILE A 56 -5.860 2.048 8.167 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.465 4.622 7.786 1.00 0.33 H new ATOM 0 HB ILE A 56 -4.882 2.406 5.731 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.405 3.351 7.212 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.169 1.779 7.339 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.499 3.810 4.265 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -5.001 4.636 4.745 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.459 5.074 5.517 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.156 1.667 5.956 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.601 1.299 4.985 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.826 2.895 4.856 1.00 0.69 H new ATOM 930 N LEU A 57 -6.944 5.292 7.645 1.00 0.44 N ATOM 931 CA LEU A 57 -8.224 5.903 7.299 1.00 0.45 C ATOM 932 C LEU A 57 -8.155 6.574 5.933 1.00 0.42 C ATOM 933 O LEU A 57 -8.813 6.142 4.985 1.00 0.60 O ATOM 934 CB LEU A 57 -8.633 6.921 8.367 1.00 0.48 C ATOM 935 CG LEU A 57 -10.045 7.494 8.212 1.00 0.85 C ATOM 936 CD1 LEU A 57 -11.047 6.380 7.956 1.00 0.72 C ATOM 937 CD2 LEU A 57 -10.435 8.290 9.449 1.00 1.60 C ATOM 0 H LEU A 57 -6.529 5.644 8.507 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.976 5.115 7.256 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -8.555 6.448 9.346 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -7.920 7.745 8.353 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.052 8.166 7.354 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -12.045 6.806 7.849 1.00 0.72 H new ATOM 0 HD12 LEU A 57 -10.778 5.851 7.042 1.00 0.72 H new ATOM 0 HD13 LEU A 57 -11.038 5.683 8.794 1.00 0.72 H new ATOM 0 HD21 LEU A 57 -11.441 8.690 9.322 1.00 1.60 H new ATOM 0 HD22 LEU A 57 -10.411 7.639 10.323 1.00 1.60 H new ATOM 0 HD23 LEU A 57 -9.733 9.112 9.589 1.00 1.60 H new ATOM 949 N GLU A 58 -7.354 7.629 5.831 1.00 0.39 N ATOM 950 CA GLU A 58 -7.200 8.350 4.577 1.00 0.43 C ATOM 951 C GLU A 58 -6.418 7.513 3.576 1.00 0.51 C ATOM 952 O GLU A 58 -6.014 6.390 3.875 1.00 1.09 O ATOM 953 CB GLU A 58 -6.488 9.682 4.813 1.00 0.44 C ATOM 954 CG GLU A 58 -5.106 9.530 5.427 1.00 0.44 C ATOM 955 CD GLU A 58 -5.088 9.850 6.909 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.610 10.918 7.292 1.00 1.54 O ATOM 957 OE2 GLU A 58 -4.551 9.032 7.686 1.00 1.29 O ATOM 0 H GLU A 58 -6.802 8.002 6.603 1.00 0.39 H new ATOM 0 HA GLU A 58 -8.192 8.548 4.170 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.399 10.211 3.864 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -7.101 10.302 5.467 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.755 8.509 5.275 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.408 10.187 4.909 1.00 0.44 H new ATOM 964 N ASN A 59 -6.204 8.064 2.389 1.00 0.31 N ATOM 965 CA ASN A 59 -5.464 7.358 1.350 1.00 0.28 C ATOM 966 C ASN A 59 -3.992 7.775 1.324 1.00 0.28 C ATOM 967 O ASN A 59 -3.255 7.418 0.404 1.00 0.49 O ATOM 968 CB ASN A 59 -6.103 7.601 -0.015 1.00 0.32 C ATOM 969 CG ASN A 59 -6.108 9.067 -0.400 1.00 0.86 C ATOM 970 OD1 ASN A 59 -5.161 9.799 -0.114 1.00 1.75 O ATOM 971 ND2 ASN A 59 -7.180 9.502 -1.053 1.00 0.91 N ATOM 0 H ASN A 59 -6.530 8.993 2.122 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.506 6.293 1.581 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.563 7.032 -0.772 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -7.127 7.228 -0.005 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -7.241 10.479 -1.339 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.942 8.859 -1.269 1.00 0.91 H new ATOM 978 N GLU A 60 -3.563 8.524 2.339 1.00 0.29 N ATOM 979 CA GLU A 60 -2.179 8.975 2.432 1.00 0.29 C ATOM 980 C GLU A 60 -1.486 8.274 3.593 1.00 0.27 C ATOM 981 O GLU A 60 -1.600 8.701 4.743 1.00 0.35 O ATOM 982 CB GLU A 60 -2.127 10.494 2.625 1.00 0.34 C ATOM 983 CG GLU A 60 -0.761 11.100 2.343 1.00 0.49 C ATOM 984 CD GLU A 60 -0.646 12.529 2.838 1.00 1.26 C ATOM 985 OE1 GLU A 60 -1.415 12.906 3.747 1.00 1.91 O ATOM 986 OE2 GLU A 60 0.213 13.271 2.318 1.00 2.05 O ATOM 0 H GLU A 60 -4.157 8.831 3.109 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.662 8.726 1.505 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.863 10.960 1.970 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.415 10.731 3.649 1.00 0.34 H new ATOM 0 HG2 GLU A 60 0.008 10.491 2.818 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.570 11.074 1.270 1.00 0.49 H new ATOM 993 N PHE A 61 -0.781 7.188 3.293 1.00 0.24 N ATOM 994 CA PHE A 61 -0.089 6.428 4.327 1.00 0.24 C ATOM 995 C PHE A 61 1.374 6.204 3.971 1.00 0.24 C ATOM 996 O PHE A 61 1.784 6.375 2.824 1.00 0.25 O ATOM 997 CB PHE A 61 -0.778 5.074 4.537 1.00 0.28 C ATOM 998 CG PHE A 61 -0.030 4.158 5.462 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.174 4.266 6.836 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.827 3.195 4.956 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.521 3.427 7.687 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.523 2.355 5.801 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.370 2.470 7.168 1.00 0.48 C ATOM 0 H PHE A 61 -0.674 6.817 2.349 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.131 7.009 5.248 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.778 5.242 4.936 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.898 4.583 3.571 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.836 5.014 7.246 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.952 3.100 3.887 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.400 3.520 8.756 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.187 1.608 5.393 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.913 1.813 7.830 1.00 0.48 H new ATOM 1013 N THR A 62 2.151 5.807 4.968 1.00 0.25 N ATOM 1014 CA THR A 62 3.559 5.540 4.773 1.00 0.27 C ATOM 1015 C THR A 62 3.911 4.158 5.294 1.00 0.29 C ATOM 1016 O THR A 62 3.668 3.844 6.460 1.00 0.35 O ATOM 1017 CB THR A 62 4.412 6.600 5.470 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.176 7.881 4.916 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.899 6.329 5.380 1.00 0.37 C ATOM 0 H THR A 62 1.823 5.664 5.923 1.00 0.25 H new ATOM 0 HA THR A 62 3.769 5.577 3.704 1.00 0.27 H new ATOM 0 HB THR A 62 4.115 6.562 6.518 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.999 8.215 4.501 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.445 7.120 5.895 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.123 5.370 5.847 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.201 6.302 4.333 1.00 0.37 H new ATOM 1027 N VAL A 63 4.485 3.333 4.430 1.00 0.31 N ATOM 1028 CA VAL A 63 4.870 1.992 4.819 1.00 0.36 C ATOM 1029 C VAL A 63 6.207 2.026 5.546 1.00 0.38 C ATOM 1030 O VAL A 63 7.263 1.799 4.951 1.00 0.50 O ATOM 1031 CB VAL A 63 4.960 1.060 3.601 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.989 -0.393 4.043 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.791 1.314 2.665 1.00 0.58 C ATOM 0 H VAL A 63 4.692 3.571 3.460 1.00 0.31 H new ATOM 0 HA VAL A 63 4.102 1.601 5.487 1.00 0.36 H new ATOM 0 HB VAL A 63 5.886 1.269 3.066 1.00 0.44 H new ATOM 0 HG11 VAL A 63 5.053 -1.039 3.167 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.856 -0.562 4.682 1.00 1.08 H new ATOM 0 HG13 VAL A 63 4.079 -0.623 4.598 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.863 0.649 1.804 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.856 1.126 3.192 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.815 2.350 2.326 1.00 0.58 H new ATOM 1043 N SER A 64 6.146 2.332 6.836 1.00 0.49 N ATOM 1044 CA SER A 64 7.341 2.423 7.668 1.00 0.55 C ATOM 1045 C SER A 64 7.983 1.065 7.869 1.00 0.63 C ATOM 1046 O SER A 64 9.208 0.940 7.867 1.00 0.99 O ATOM 1047 CB SER A 64 6.997 3.038 9.017 1.00 0.63 C ATOM 1048 OG SER A 64 8.156 3.215 9.812 1.00 1.33 O ATOM 0 H SER A 64 5.275 2.523 7.332 1.00 0.49 H new ATOM 0 HA SER A 64 8.057 3.062 7.151 1.00 0.55 H new ATOM 0 HB2 SER A 64 6.506 4.000 8.866 1.00 0.63 H new ATOM 0 HB3 SER A 64 6.288 2.397 9.541 1.00 0.63 H new ATOM 0 HG SER A 64 7.905 3.613 10.672 1.00 1.33 H new ATOM 1054 N GLY A 65 7.152 0.053 8.040 1.00 0.71 N ATOM 1055 CA GLY A 65 7.653 -1.296 8.236 1.00 0.78 C ATOM 1056 C GLY A 65 8.301 -1.841 6.979 1.00 0.72 C ATOM 1057 O GLY A 65 7.840 -2.829 6.410 1.00 0.90 O ATOM 0 H GLY A 65 6.136 0.137 8.047 1.00 0.71 H new ATOM 0 HA2 GLY A 65 8.378 -1.300 9.050 1.00 0.78 H new ATOM 0 HA3 GLY A 65 6.833 -1.949 8.535 1.00 0.78 H new ATOM 1061 N LEU A 66 9.370 -1.184 6.540 1.00 0.64 N ATOM 1062 CA LEU A 66 10.082 -1.569 5.350 1.00 0.65 C ATOM 1063 C LEU A 66 11.584 -1.620 5.650 1.00 0.59 C ATOM 1064 O LEU A 66 12.074 -0.881 6.503 1.00 0.65 O ATOM 1065 CB LEU A 66 9.718 -0.565 4.242 1.00 0.74 C ATOM 1066 CG LEU A 66 10.861 0.077 3.472 1.00 0.89 C ATOM 1067 CD1 LEU A 66 11.349 -0.876 2.409 1.00 1.47 C ATOM 1068 CD2 LEU A 66 10.419 1.402 2.869 1.00 0.89 C ATOM 0 H LEU A 66 9.760 -0.367 7.010 1.00 0.64 H new ATOM 0 HA LEU A 66 9.802 -2.566 5.010 1.00 0.65 H new ATOM 0 HB2 LEU A 66 9.074 -1.074 3.525 1.00 0.74 H new ATOM 0 HB3 LEU A 66 9.126 0.232 4.692 1.00 0.74 H new ATOM 0 HG LEU A 66 11.685 0.287 4.154 1.00 0.89 H new ATOM 0 HD11 LEU A 66 12.168 -0.416 1.857 1.00 1.47 H new ATOM 0 HD12 LEU A 66 11.698 -1.796 2.878 1.00 1.47 H new ATOM 0 HD13 LEU A 66 10.533 -1.105 1.724 1.00 1.47 H new ATOM 0 HD21 LEU A 66 11.249 1.848 2.321 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.585 1.232 2.188 1.00 0.89 H new ATOM 0 HD23 LEU A 66 10.105 2.077 3.665 1.00 0.89 H new ATOM 1080 N THR A 67 12.304 -2.500 4.964 1.00 0.65 N ATOM 1081 CA THR A 67 13.741 -2.641 5.186 1.00 0.69 C ATOM 1082 C THR A 67 14.554 -2.019 4.056 1.00 0.72 C ATOM 1083 O THR A 67 14.008 -1.379 3.159 1.00 1.06 O ATOM 1084 CB THR A 67 14.111 -4.115 5.348 1.00 0.75 C ATOM 1085 OG1 THR A 67 12.968 -4.884 5.673 1.00 0.96 O ATOM 1086 CG2 THR A 67 15.147 -4.355 6.425 1.00 0.99 C ATOM 0 H THR A 67 11.921 -3.124 4.254 1.00 0.65 H new ATOM 0 HA THR A 67 13.984 -2.105 6.103 1.00 0.69 H new ATOM 0 HB THR A 67 14.531 -4.417 4.388 1.00 0.75 H new ATOM 0 HG1 THR A 67 12.587 -5.266 4.855 1.00 0.96 H new ATOM 0 HG21 THR A 67 15.365 -5.421 6.489 1.00 0.99 H new ATOM 0 HG22 THR A 67 16.060 -3.812 6.179 1.00 0.99 H new ATOM 0 HG23 THR A 67 14.763 -4.005 7.383 1.00 0.99 H new ATOM 1094 N GLU A 68 15.869 -2.208 4.125 1.00 0.66 N ATOM 1095 CA GLU A 68 16.788 -1.669 3.130 1.00 0.67 C ATOM 1096 C GLU A 68 17.271 -2.758 2.174 1.00 0.60 C ATOM 1097 O GLU A 68 17.117 -3.950 2.443 1.00 0.69 O ATOM 1098 CB GLU A 68 17.987 -1.038 3.839 1.00 0.76 C ATOM 1099 CG GLU A 68 18.661 0.065 3.047 1.00 0.96 C ATOM 1100 CD GLU A 68 19.784 0.734 3.819 1.00 1.32 C ATOM 1101 OE1 GLU A 68 19.556 1.117 4.986 1.00 1.91 O ATOM 1102 OE2 GLU A 68 20.890 0.877 3.257 1.00 1.89 O ATOM 0 H GLU A 68 16.325 -2.737 4.869 1.00 0.66 H new ATOM 0 HA GLU A 68 16.260 -0.916 2.545 1.00 0.67 H new ATOM 0 HB2 GLU A 68 17.659 -0.635 4.797 1.00 0.76 H new ATOM 0 HB3 GLU A 68 18.719 -1.816 4.055 1.00 0.76 H new ATOM 0 HG2 GLU A 68 19.058 -0.349 2.120 1.00 0.96 H new ATOM 0 HG3 GLU A 68 17.919 0.814 2.770 1.00 0.96 H new ATOM 1109 N ASP A 69 17.859 -2.335 1.057 1.00 0.52 N ATOM 1110 CA ASP A 69 18.373 -3.262 0.054 1.00 0.49 C ATOM 1111 C ASP A 69 17.347 -4.341 -0.274 1.00 0.44 C ATOM 1112 O ASP A 69 17.532 -5.512 0.056 1.00 0.54 O ATOM 1113 CB ASP A 69 19.675 -3.901 0.541 1.00 0.59 C ATOM 1114 CG ASP A 69 20.880 -3.440 -0.255 1.00 1.06 C ATOM 1115 OD1 ASP A 69 20.952 -2.237 -0.581 1.00 1.66 O ATOM 1116 OD2 ASP A 69 21.752 -4.284 -0.552 1.00 1.87 O ATOM 0 H ASP A 69 17.991 -1.351 0.824 1.00 0.52 H new ATOM 0 HA ASP A 69 18.574 -2.697 -0.857 1.00 0.49 H new ATOM 0 HB2 ASP A 69 19.824 -3.658 1.593 1.00 0.59 H new ATOM 0 HB3 ASP A 69 19.592 -4.986 0.473 1.00 0.59 H new ATOM 1121 N ALA A 70 16.263 -3.940 -0.926 1.00 0.40 N ATOM 1122 CA ALA A 70 15.210 -4.876 -1.299 1.00 0.40 C ATOM 1123 C ALA A 70 14.053 -4.152 -1.964 1.00 0.35 C ATOM 1124 O ALA A 70 13.325 -3.411 -1.319 1.00 0.36 O ATOM 1125 CB ALA A 70 14.718 -5.631 -0.074 1.00 0.49 C ATOM 0 H ALA A 70 16.090 -2.975 -1.207 1.00 0.40 H new ATOM 0 HA ALA A 70 15.625 -5.588 -2.012 1.00 0.40 H new ATOM 0 HB1 ALA A 70 13.932 -6.327 -0.367 1.00 0.49 H new ATOM 0 HB2 ALA A 70 15.546 -6.185 0.369 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.323 -4.923 0.655 1.00 0.49 H new ATOM 1131 N ALA A 71 13.879 -4.362 -3.257 1.00 0.33 N ATOM 1132 CA ALA A 71 12.798 -3.706 -3.969 1.00 0.30 C ATOM 1133 C ALA A 71 11.449 -4.151 -3.424 1.00 0.27 C ATOM 1134 O ALA A 71 11.039 -5.300 -3.595 1.00 0.36 O ATOM 1135 CB ALA A 71 12.911 -3.966 -5.463 1.00 0.34 C ATOM 0 H ALA A 71 14.463 -4.973 -3.828 1.00 0.33 H new ATOM 0 HA ALA A 71 12.877 -2.630 -3.812 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.093 -3.467 -5.982 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.862 -3.579 -5.829 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.859 -5.038 -5.651 1.00 0.34 H new ATOM 1141 N TYR A 72 10.771 -3.228 -2.747 1.00 0.24 N ATOM 1142 CA TYR A 72 9.476 -3.512 -2.148 1.00 0.24 C ATOM 1143 C TYR A 72 8.318 -2.923 -2.943 1.00 0.21 C ATOM 1144 O TYR A 72 8.270 -1.717 -3.188 1.00 0.23 O ATOM 1145 CB TYR A 72 9.412 -2.937 -0.733 1.00 0.30 C ATOM 1146 CG TYR A 72 10.262 -3.655 0.283 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.780 -4.780 0.938 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.537 -3.204 0.599 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.544 -5.440 1.877 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.309 -3.858 1.538 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.810 -4.977 2.175 1.00 0.46 C ATOM 1152 OH TYR A 72 12.577 -5.632 3.110 1.00 0.56 O ATOM 0 H TYR A 72 11.101 -2.274 -2.601 1.00 0.24 H new ATOM 0 HA TYR A 72 9.376 -4.597 -2.139 1.00 0.24 H new ATOM 0 HB2 TYR A 72 9.718 -1.891 -0.767 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.376 -2.955 -0.396 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.790 -5.144 0.708 1.00 0.49 H new ATOM 0 HD2 TYR A 72 11.930 -2.329 0.103 1.00 0.36 H new ATOM 0 HE1 TYR A 72 10.154 -6.314 2.377 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.299 -3.496 1.773 1.00 0.42 H new ATOM 0 HH TYR A 72 13.467 -5.807 2.739 1.00 0.56 H new ATOM 1162 N GLU A 73 7.368 -3.777 -3.303 1.00 0.21 N ATOM 1163 CA GLU A 73 6.177 -3.342 -4.025 1.00 0.21 C ATOM 1164 C GLU A 73 5.023 -3.298 -3.037 1.00 0.23 C ATOM 1165 O GLU A 73 4.899 -4.199 -2.208 1.00 0.32 O ATOM 1166 CB GLU A 73 5.847 -4.301 -5.171 1.00 0.25 C ATOM 1167 CG GLU A 73 6.916 -4.360 -6.246 1.00 0.65 C ATOM 1168 CD GLU A 73 6.352 -4.717 -7.606 1.00 0.68 C ATOM 1169 OE1 GLU A 73 5.143 -4.489 -7.825 1.00 1.50 O ATOM 1170 OE2 GLU A 73 7.117 -5.226 -8.451 1.00 1.32 O ATOM 0 H GLU A 73 7.399 -4.777 -3.107 1.00 0.21 H new ATOM 0 HA GLU A 73 6.351 -2.358 -4.460 1.00 0.21 H new ATOM 0 HB2 GLU A 73 5.698 -5.301 -4.764 1.00 0.25 H new ATOM 0 HB3 GLU A 73 4.904 -3.998 -5.626 1.00 0.25 H new ATOM 0 HG2 GLU A 73 7.419 -3.395 -6.307 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.670 -5.095 -5.964 1.00 0.65 H new ATOM 1177 N PHE A 74 4.190 -2.262 -3.082 1.00 0.22 N ATOM 1178 CA PHE A 74 3.083 -2.197 -2.107 1.00 0.28 C ATOM 1179 C PHE A 74 1.702 -1.940 -2.704 1.00 0.25 C ATOM 1180 O PHE A 74 1.433 -0.871 -3.250 1.00 0.30 O ATOM 1181 CB PHE A 74 3.325 -1.131 -1.029 1.00 0.39 C ATOM 1182 CG PHE A 74 4.721 -0.607 -0.963 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.687 -1.305 -0.271 1.00 0.42 C ATOM 1184 CD2 PHE A 74 5.068 0.575 -1.595 1.00 0.52 C ATOM 1185 CE1 PHE A 74 6.977 -0.838 -0.206 1.00 0.49 C ATOM 1186 CE2 PHE A 74 6.361 1.050 -1.534 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.301 0.389 -0.841 1.00 0.53 C ATOM 0 H PHE A 74 4.245 -1.488 -3.744 1.00 0.22 H new ATOM 0 HA PHE A 74 3.080 -3.200 -1.679 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.647 -0.296 -1.206 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.065 -1.552 -0.058 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.427 -2.228 0.225 1.00 0.42 H new ATOM 0 HD2 PHE A 74 4.319 1.130 -2.141 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.735 -1.398 0.322 1.00 0.49 H new ATOM 0 HE2 PHE A 74 6.620 1.963 -2.049 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.301 0.790 -0.767 1.00 0.53 H new ATOM 1197 N ARG A 75 0.812 -2.913 -2.533 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.565 -2.780 -2.989 1.00 0.34 C ATOM 1199 C ARG A 75 -1.422 -2.468 -1.775 1.00 0.31 C ATOM 1200 O ARG A 75 -0.905 -2.411 -0.660 1.00 0.45 O ATOM 1201 CB ARG A 75 -1.063 -4.054 -3.680 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.389 -5.325 -3.192 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.213 -6.558 -3.529 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.547 -7.412 -4.509 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.134 -8.447 -5.099 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.391 -8.752 -4.809 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.464 -9.178 -5.978 1.00 1.87 N ATOM 0 H ARG A 75 1.022 -3.803 -2.081 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.627 -1.980 -3.727 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -2.138 -4.143 -3.525 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.903 -3.959 -4.754 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.599 -5.411 -3.645 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.241 -5.269 -2.114 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.400 -7.128 -2.619 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.184 -6.250 -3.917 1.00 1.08 H new ATOM 0 HE ARG A 75 0.421 -7.202 -4.753 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.909 -8.192 -4.132 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.841 -9.547 -5.263 1.00 2.11 H new ATOM 0 HH21 ARG A 75 0.504 -8.946 -6.202 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -0.916 -9.973 -6.430 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.714 -2.260 -1.957 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.549 -1.956 -0.803 1.00 0.39 C ATOM 1223 C VAL A 76 -4.952 -2.543 -0.919 1.00 0.31 C ATOM 1224 O VAL A 76 -5.767 -2.104 -1.728 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.601 -0.417 -0.501 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -3.346 0.404 -1.750 1.00 0.54 C ATOM 1227 CG2 VAL A 76 -4.912 0.019 0.155 1.00 0.47 C ATOM 0 H VAL A 76 -3.196 -2.293 -2.855 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.071 -2.443 0.047 1.00 0.39 H new ATOM 0 HB VAL A 76 -2.801 -0.229 0.215 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -3.390 1.465 -1.503 1.00 0.54 H new ATOM 0 HG12 VAL A 76 -2.360 0.164 -2.148 1.00 0.54 H new ATOM 0 HG13 VAL A 76 -4.105 0.174 -2.498 1.00 0.54 H new ATOM 0 HG21 VAL A 76 -4.887 1.093 0.339 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -5.746 -0.217 -0.506 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -5.039 -0.508 1.101 1.00 0.47 H new ATOM 1237 N ILE A 77 -5.223 -3.520 -0.062 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.512 -4.154 -0.006 1.00 0.31 C ATOM 1239 C ILE A 77 -7.338 -3.428 1.040 1.00 0.30 C ATOM 1240 O ILE A 77 -6.804 -3.008 2.068 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.381 -5.641 0.360 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.594 -6.375 -0.719 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.751 -6.259 0.534 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -4.843 -7.588 -0.216 1.00 0.42 C ATOM 0 H ILE A 77 -4.548 -3.887 0.609 1.00 0.33 H new ATOM 0 HA ILE A 77 -6.993 -4.101 -0.983 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.843 -5.729 1.304 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.280 -6.686 -1.506 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.884 -5.682 -1.171 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.645 -7.312 0.793 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -8.285 -5.741 1.331 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.312 -6.169 -0.396 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.309 -8.054 -1.044 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.130 -7.283 0.550 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.548 -8.302 0.209 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.621 -3.256 0.790 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.457 -2.546 1.748 1.00 0.30 C ATOM 1258 C ALA A 78 -10.909 -2.963 1.650 1.00 0.34 C ATOM 1259 O ALA A 78 -11.536 -2.821 0.601 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.325 -1.044 1.532 1.00 0.39 C ATOM 0 H ALA A 78 -9.102 -3.588 -0.046 1.00 0.27 H new ATOM 0 HA ALA A 78 -9.111 -2.804 2.749 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.952 -0.517 2.251 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.286 -0.746 1.670 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.643 -0.793 0.520 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.446 -3.475 2.751 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.838 -3.899 2.762 1.00 0.43 C ATOM 1268 C LYS A 79 -13.739 -2.739 2.352 1.00 0.59 C ATOM 1269 O LYS A 79 -13.865 -2.443 1.166 1.00 1.31 O ATOM 1270 CB LYS A 79 -13.260 -4.484 4.125 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.508 -3.905 5.314 1.00 1.07 C ATOM 1272 CD LYS A 79 -11.449 -4.869 5.825 1.00 1.50 C ATOM 1273 CE LYS A 79 -10.069 -4.236 5.825 1.00 1.71 C ATOM 1274 NZ LYS A 79 -9.314 -4.557 7.067 1.00 1.98 N ATOM 0 H LYS A 79 -10.949 -3.605 3.632 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.948 -4.704 2.035 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -14.327 -4.312 4.266 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -13.110 -5.564 4.106 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -12.037 -2.965 5.026 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -13.211 -3.677 6.115 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -11.704 -5.187 6.836 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -11.440 -5.763 5.202 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -9.509 -4.586 4.958 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -10.165 -3.155 5.727 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -8.312 -4.711 6.834 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -9.396 -3.766 7.737 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -9.706 -5.418 7.499 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.350 -2.085 3.330 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.233 -0.953 3.087 1.00 0.70 C ATOM 1290 C ASN A 80 -15.934 -0.574 4.405 1.00 0.87 C ATOM 1291 O ASN A 80 -15.272 -0.099 5.328 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.207 -1.267 1.936 1.00 0.67 C ATOM 1293 CG ASN A 80 -16.908 -2.603 2.095 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -17.091 -3.095 3.209 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -17.302 -3.197 0.976 1.00 2.05 N ATOM 0 H ASN A 80 -14.247 -2.325 4.316 1.00 0.65 H new ATOM 0 HA ASN A 80 -14.663 -0.083 2.761 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -16.955 -0.476 1.875 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -15.660 -1.261 0.993 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -17.778 -4.098 1.017 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -17.129 -2.752 0.074 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.244 -0.785 4.525 1.00 0.76 N ATOM 1303 CA ALA A 81 -17.945 -0.462 5.760 1.00 0.82 C ATOM 1304 C ALA A 81 -18.899 -1.584 6.174 1.00 0.88 C ATOM 1305 O ALA A 81 -19.650 -1.443 7.139 1.00 1.08 O ATOM 1306 CB ALA A 81 -18.705 0.840 5.615 1.00 0.83 C ATOM 0 H ALA A 81 -17.833 -1.174 3.789 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.195 -0.351 6.543 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -19.222 1.065 6.548 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.007 1.645 5.384 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -19.433 0.748 4.809 1.00 0.83 H new ATOM 1312 N ALA A 82 -18.867 -2.699 5.443 1.00 0.81 N ATOM 1313 CA ALA A 82 -19.726 -3.832 5.741 1.00 0.90 C ATOM 1314 C ALA A 82 -18.910 -5.111 5.930 1.00 0.88 C ATOM 1315 O ALA A 82 -19.469 -6.176 6.189 1.00 1.06 O ATOM 1316 CB ALA A 82 -20.752 -4.011 4.631 1.00 0.94 C ATOM 0 H ALA A 82 -18.253 -2.836 4.640 1.00 0.81 H new ATOM 0 HA ALA A 82 -20.247 -3.631 6.677 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.392 -4.862 4.861 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.361 -3.111 4.550 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.239 -4.189 3.686 1.00 0.94 H new ATOM 1322 N GLY A 83 -17.584 -5.006 5.800 1.00 0.82 N ATOM 1323 CA GLY A 83 -16.736 -6.173 5.967 1.00 0.86 C ATOM 1324 C GLY A 83 -16.307 -6.794 4.649 1.00 0.78 C ATOM 1325 O GLY A 83 -15.407 -7.632 4.618 1.00 0.93 O ATOM 0 H GLY A 83 -17.090 -4.140 5.584 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -15.849 -5.891 6.534 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -17.268 -6.919 6.557 1.00 0.86 H new ATOM 1329 N ALA A 84 -16.947 -6.384 3.556 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.614 -6.912 2.237 1.00 0.78 C ATOM 1331 C ALA A 84 -15.225 -6.453 1.819 1.00 0.76 C ATOM 1332 O ALA A 84 -14.989 -5.262 1.623 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.654 -6.481 1.213 1.00 0.92 C ATOM 0 H ALA A 84 -17.695 -5.691 3.558 1.00 0.72 H new ATOM 0 HA ALA A 84 -16.616 -8.001 2.287 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.390 -6.883 0.235 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.633 -6.858 1.508 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.684 -5.393 1.161 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.308 -7.403 1.697 1.00 0.50 N ATOM 1340 CA ILE A 85 -12.937 -7.091 1.319 1.00 0.40 C ATOM 1341 C ILE A 85 -12.816 -6.707 -0.157 1.00 0.38 C ATOM 1342 O ILE A 85 -13.157 -7.493 -1.041 1.00 0.48 O ATOM 1343 CB ILE A 85 -11.990 -8.273 1.624 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.533 -7.805 1.607 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.202 -9.413 0.634 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.067 -7.233 2.930 1.00 0.79 C ATOM 0 H ILE A 85 -14.488 -8.395 1.854 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.642 -6.230 1.919 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.222 -8.648 2.621 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -9.893 -8.645 1.338 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.411 -7.050 0.831 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -11.523 -10.232 0.871 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.232 -9.765 0.699 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.003 -9.058 -0.377 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.026 -6.922 2.845 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.683 -6.373 3.192 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.156 -7.993 3.707 1.00 0.79 H new ATOM 1358 N SER A 86 -12.314 -5.499 -0.417 1.00 0.39 N ATOM 1359 CA SER A 86 -12.136 -5.028 -1.785 1.00 0.45 C ATOM 1360 C SER A 86 -10.749 -5.432 -2.293 1.00 0.44 C ATOM 1361 O SER A 86 -9.738 -5.153 -1.632 1.00 0.43 O ATOM 1362 CB SER A 86 -12.317 -3.506 -1.868 1.00 0.54 C ATOM 1363 OG SER A 86 -11.077 -2.832 -1.790 1.00 0.59 O ATOM 0 H SER A 86 -12.026 -4.834 0.300 1.00 0.39 H new ATOM 0 HA SER A 86 -12.896 -5.490 -2.416 1.00 0.45 H new ATOM 0 HB2 SER A 86 -12.814 -3.248 -2.803 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.966 -3.171 -1.059 1.00 0.54 H new ATOM 0 HG SER A 86 -10.958 -2.469 -0.887 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.687 -6.104 -3.464 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.438 -6.569 -4.063 1.00 0.61 C ATOM 1371 C PRO A 87 -8.246 -5.656 -3.791 1.00 0.54 C ATOM 1372 O PRO A 87 -8.408 -4.464 -3.533 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.775 -6.583 -5.547 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.223 -6.945 -5.599 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.844 -6.478 -4.301 1.00 0.59 C ATOM 0 HA PRO A 87 -9.126 -7.530 -3.653 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.592 -5.611 -6.005 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.165 -7.308 -6.086 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -11.709 -6.470 -6.451 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.347 -8.021 -5.720 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.511 -5.631 -4.460 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.435 -7.267 -3.835 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.020 -6.213 -3.848 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.792 -5.450 -3.609 1.00 0.56 C ATOM 1385 C PRO A 88 -5.515 -4.428 -4.700 1.00 0.48 C ATOM 1386 O PRO A 88 -5.363 -4.781 -5.869 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.683 -6.515 -3.605 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.380 -7.832 -3.532 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.731 -7.625 -4.151 1.00 0.72 C ATOM 0 HA PRO A 88 -5.861 -4.879 -2.683 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.072 -6.446 -4.505 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.014 -6.379 -2.755 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -4.820 -8.599 -4.067 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.472 -8.167 -2.499 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -6.716 -7.813 -5.225 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.479 -8.292 -3.721 1.00 0.72 H new ATOM 1397 N SER A 89 -5.433 -3.162 -4.311 1.00 0.43 N ATOM 1398 CA SER A 89 -5.154 -2.104 -5.266 1.00 0.42 C ATOM 1399 C SER A 89 -3.772 -2.326 -5.878 1.00 0.35 C ATOM 1400 O SER A 89 -2.812 -2.599 -5.150 1.00 0.51 O ATOM 1401 CB SER A 89 -5.239 -0.729 -4.586 1.00 0.56 C ATOM 1402 OG SER A 89 -3.962 -0.122 -4.459 1.00 1.28 O ATOM 0 H SER A 89 -5.555 -2.847 -3.348 1.00 0.43 H new ATOM 0 HA SER A 89 -5.900 -2.128 -6.060 1.00 0.42 H new ATOM 0 HB2 SER A 89 -5.895 -0.078 -5.164 1.00 0.56 H new ATOM 0 HB3 SER A 89 -5.689 -0.839 -3.599 1.00 0.56 H new ATOM 0 HG SER A 89 -4.027 0.828 -4.690 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.687 -2.219 -7.211 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.433 -2.418 -7.957 1.00 0.37 C ATOM 1410 C GLU A 90 -1.198 -1.997 -7.149 1.00 0.34 C ATOM 1411 O GLU A 90 -1.048 -0.829 -6.804 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.478 -1.634 -9.270 1.00 0.49 C ATOM 1413 CG GLU A 90 -2.244 -2.495 -10.500 1.00 0.90 C ATOM 1414 CD GLU A 90 -2.832 -1.889 -11.759 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -3.028 -0.655 -11.788 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -3.098 -2.647 -12.716 1.00 1.77 O ATOM 0 H GLU A 90 -4.485 -1.992 -7.804 1.00 0.38 H new ATOM 0 HA GLU A 90 -2.345 -3.485 -8.159 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -3.448 -1.145 -9.358 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.725 -0.846 -9.239 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -1.173 -2.641 -10.638 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -2.681 -3.480 -10.337 1.00 0.90 H new ATOM 1423 N PRO A 91 -0.300 -2.952 -6.832 1.00 0.30 N ATOM 1424 CA PRO A 91 0.913 -2.681 -6.058 1.00 0.29 C ATOM 1425 C PRO A 91 1.613 -1.379 -6.427 1.00 0.31 C ATOM 1426 O PRO A 91 1.294 -0.736 -7.429 1.00 0.55 O ATOM 1427 CB PRO A 91 1.799 -3.877 -6.388 1.00 0.36 C ATOM 1428 CG PRO A 91 0.838 -4.997 -6.590 1.00 0.36 C ATOM 1429 CD PRO A 91 -0.400 -4.381 -7.195 1.00 0.39 C ATOM 0 HA PRO A 91 0.685 -2.558 -4.999 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.395 -3.697 -7.283 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.497 -4.092 -5.578 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.258 -5.757 -7.249 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.607 -5.488 -5.645 1.00 0.36 H new ATOM 0 HD2 PRO A 91 -0.427 -4.518 -8.276 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -1.308 -4.832 -6.794 1.00 0.39 H new ATOM 1437 N SER A 92 2.578 -1.011 -5.592 1.00 0.27 N ATOM 1438 CA SER A 92 3.366 0.201 -5.775 1.00 0.31 C ATOM 1439 C SER A 92 4.731 -0.155 -6.323 1.00 0.27 C ATOM 1440 O SER A 92 5.317 -1.159 -5.913 1.00 0.24 O ATOM 1441 CB SER A 92 3.555 0.930 -4.443 1.00 0.39 C ATOM 1442 OG SER A 92 2.664 2.016 -4.312 1.00 1.23 O ATOM 0 H SER A 92 2.837 -1.548 -4.765 1.00 0.27 H new ATOM 0 HA SER A 92 2.834 0.849 -6.471 1.00 0.31 H new ATOM 0 HB2 SER A 92 3.401 0.231 -3.621 1.00 0.39 H new ATOM 0 HB3 SER A 92 4.581 1.290 -4.367 1.00 0.39 H new ATOM 0 HG SER A 92 2.409 2.339 -5.201 1.00 1.23 H new ATOM 1448 N ASP A 93 5.237 0.677 -7.235 1.00 0.33 N ATOM 1449 CA ASP A 93 6.548 0.458 -7.840 1.00 0.36 C ATOM 1450 C ASP A 93 7.563 0.009 -6.799 1.00 0.32 C ATOM 1451 O ASP A 93 7.688 0.613 -5.733 1.00 0.56 O ATOM 1452 CB ASP A 93 7.044 1.730 -8.526 1.00 0.45 C ATOM 1453 CG ASP A 93 5.988 2.365 -9.411 1.00 0.89 C ATOM 1454 OD1 ASP A 93 5.867 1.950 -10.582 1.00 1.55 O ATOM 1455 OD2 ASP A 93 5.285 3.280 -8.932 1.00 1.63 O ATOM 0 H ASP A 93 4.755 1.511 -7.571 1.00 0.33 H new ATOM 0 HA ASP A 93 6.440 -0.330 -8.585 1.00 0.36 H new ATOM 0 HB2 ASP A 93 7.358 2.448 -7.768 1.00 0.45 H new ATOM 0 HB3 ASP A 93 7.923 1.496 -9.126 1.00 0.45 H new ATOM 1460 N ALA A 94 8.274 -1.059 -7.111 1.00 0.33 N ATOM 1461 CA ALA A 94 9.271 -1.600 -6.204 1.00 0.28 C ATOM 1462 C ALA A 94 10.358 -0.580 -5.895 1.00 0.29 C ATOM 1463 O ALA A 94 10.886 0.074 -6.795 1.00 0.41 O ATOM 1464 CB ALA A 94 9.887 -2.850 -6.798 1.00 0.34 C ATOM 0 H ALA A 94 8.179 -1.571 -7.988 1.00 0.33 H new ATOM 0 HA ALA A 94 8.771 -1.850 -5.268 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.634 -3.249 -6.111 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.109 -3.596 -6.962 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.362 -2.605 -7.748 1.00 0.34 H new ATOM 1470 N ILE A 95 10.697 -0.456 -4.618 1.00 0.25 N ATOM 1471 CA ILE A 95 11.730 0.476 -4.189 1.00 0.28 C ATOM 1472 C ILE A 95 12.904 -0.270 -3.566 1.00 0.26 C ATOM 1473 O ILE A 95 12.773 -0.888 -2.508 1.00 0.25 O ATOM 1474 CB ILE A 95 11.174 1.497 -3.185 1.00 0.33 C ATOM 1475 CG1 ILE A 95 9.926 2.159 -3.767 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.229 2.538 -2.839 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.638 1.620 -3.193 1.00 0.44 C ATOM 0 H ILE A 95 10.271 -0.990 -3.861 1.00 0.25 H new ATOM 0 HA ILE A 95 12.077 1.011 -5.073 1.00 0.28 H new ATOM 0 HB ILE A 95 10.902 0.981 -2.264 1.00 0.33 H new ATOM 0 HG12 ILE A 95 9.975 3.233 -3.585 1.00 0.41 H new ATOM 0 HG13 ILE A 95 9.920 2.019 -4.848 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.816 3.252 -2.127 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.095 2.045 -2.398 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.533 3.063 -3.745 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.793 2.134 -3.650 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.567 0.552 -3.398 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.623 1.784 -2.116 1.00 0.44 H new ATOM 1489 N THR A 96 14.049 -0.219 -4.241 1.00 0.29 N ATOM 1490 CA THR A 96 15.258 -0.901 -3.780 1.00 0.32 C ATOM 1491 C THR A 96 15.637 -0.542 -2.342 1.00 0.32 C ATOM 1492 O THR A 96 16.448 -1.237 -1.732 1.00 0.38 O ATOM 1493 CB THR A 96 16.427 -0.587 -4.714 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.177 -1.091 -6.015 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.746 -1.168 -4.244 1.00 0.43 C ATOM 0 H THR A 96 14.167 0.291 -5.116 1.00 0.29 H new ATOM 0 HA THR A 96 15.039 -1.969 -3.796 1.00 0.32 H new ATOM 0 HB THR A 96 16.509 0.500 -4.718 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.935 -0.879 -6.599 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.532 -0.907 -4.953 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.993 -0.762 -3.263 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.663 -2.253 -4.178 1.00 0.43 H new ATOM 1503 N CYS A 97 15.069 0.542 -1.805 1.00 0.32 N ATOM 1504 CA CYS A 97 15.370 0.977 -0.437 1.00 0.36 C ATOM 1505 C CYS A 97 16.861 0.864 -0.140 1.00 0.43 C ATOM 1506 O CYS A 97 17.285 0.078 0.703 1.00 0.64 O ATOM 1507 CB CYS A 97 14.561 0.168 0.584 1.00 0.38 C ATOM 1508 SG CYS A 97 14.663 -1.622 0.407 1.00 1.10 S ATOM 0 H CYS A 97 14.399 1.134 -2.296 1.00 0.32 H new ATOM 0 HA CYS A 97 15.084 2.025 -0.353 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.899 0.437 1.585 1.00 0.38 H new ATOM 0 HB3 CYS A 97 13.515 0.464 0.510 1.00 0.38 H new ATOM 0 HG CYS A 97 13.965 -1.997 -0.624 1.00 1.10 H new ATOM 1514 N ARG A 98 17.644 1.659 -0.853 1.00 0.53 N ATOM 1515 CA ARG A 98 19.100 1.658 -0.690 1.00 0.63 C ATOM 1516 C ARG A 98 19.536 2.595 0.433 1.00 0.80 C ATOM 1517 O ARG A 98 19.638 2.186 1.588 1.00 1.04 O ATOM 1518 CB ARG A 98 19.813 2.024 -2.009 1.00 0.68 C ATOM 1519 CG ARG A 98 18.952 2.792 -3.003 1.00 0.74 C ATOM 1520 CD ARG A 98 19.712 3.127 -4.274 1.00 0.92 C ATOM 1521 NE ARG A 98 19.290 2.306 -5.403 1.00 1.64 N ATOM 1522 CZ ARG A 98 18.107 2.423 -5.994 1.00 2.31 C ATOM 1523 NH1 ARG A 98 17.232 3.322 -5.561 1.00 3.00 N ATOM 1524 NH2 ARG A 98 17.797 1.644 -7.021 1.00 2.68 N ATOM 0 H ARG A 98 17.300 2.316 -1.553 1.00 0.53 H new ATOM 0 HA ARG A 98 19.393 0.644 -0.416 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.696 2.620 -1.776 1.00 0.68 H new ATOM 0 HB3 ARG A 98 20.163 1.108 -2.484 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.071 2.200 -3.253 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.597 3.712 -2.540 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.564 4.179 -4.517 1.00 0.92 H new ATOM 0 HD3 ARG A 98 20.780 2.987 -4.104 1.00 0.92 H new ATOM 0 HE ARG A 98 19.939 1.604 -5.758 1.00 1.64 H new ATOM 0 HH11 ARG A 98 17.468 3.925 -4.773 1.00 3.00 H new ATOM 0 HH12 ARG A 98 16.324 3.410 -6.017 1.00 3.00 H new ATOM 0 HH21 ARG A 98 18.468 0.954 -7.358 1.00 2.68 H new ATOM 0 HH22 ARG A 98 16.888 1.735 -7.474 1.00 2.68 H new ATOM 1538 N ASP A 99 19.798 3.847 0.090 1.00 0.92 N ATOM 1539 CA ASP A 99 20.229 4.837 1.073 1.00 1.20 C ATOM 1540 C ASP A 99 19.447 6.132 0.911 1.00 1.03 C ATOM 1541 O ASP A 99 19.964 7.218 1.171 1.00 1.20 O ATOM 1542 CB ASP A 99 21.724 5.117 0.916 1.00 1.61 C ATOM 1543 CG ASP A 99 22.033 5.956 -0.308 1.00 1.71 C ATOM 1544 OD1 ASP A 99 21.922 7.197 -0.220 1.00 2.08 O ATOM 1545 OD2 ASP A 99 22.386 5.371 -1.353 1.00 2.14 O ATOM 0 H ASP A 99 19.720 4.205 -0.862 1.00 0.92 H new ATOM 0 HA ASP A 99 20.039 4.435 2.068 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.089 5.630 1.806 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.262 4.171 0.850 1.00 1.61 H new ATOM 1550 N ASP A 100 18.196 6.008 0.470 1.00 0.85 N ATOM 1551 CA ASP A 100 17.319 7.164 0.255 1.00 0.92 C ATOM 1552 C ASP A 100 18.070 8.359 -0.327 1.00 1.22 C ATOM 1553 O ASP A 100 17.698 9.510 -0.100 1.00 1.38 O ATOM 1554 CB ASP A 100 16.646 7.578 1.562 1.00 0.87 C ATOM 1555 CG ASP A 100 15.600 8.656 1.359 1.00 1.32 C ATOM 1556 OD1 ASP A 100 14.833 8.561 0.377 1.00 2.03 O ATOM 1557 OD2 ASP A 100 15.549 9.597 2.179 1.00 2.06 O ATOM 0 H ASP A 100 17.762 5.111 0.252 1.00 0.85 H new ATOM 0 HA ASP A 100 16.564 6.855 -0.468 1.00 0.92 H new ATOM 0 HB2 ASP A 100 16.180 6.705 2.019 1.00 0.87 H new ATOM 0 HB3 ASP A 100 17.403 7.937 2.259 1.00 0.87 H new ATOM 1562 N VAL A 101 19.124 8.078 -1.075 1.00 1.43 N ATOM 1563 CA VAL A 101 19.925 9.130 -1.687 1.00 1.90 C ATOM 1564 C VAL A 101 20.801 8.576 -2.804 1.00 2.23 C ATOM 1565 O VAL A 101 21.844 9.145 -3.127 1.00 2.80 O ATOM 1566 CB VAL A 101 20.823 9.822 -0.646 1.00 2.20 C ATOM 1567 CG1 VAL A 101 21.863 8.849 -0.106 1.00 2.22 C ATOM 1568 CG2 VAL A 101 21.489 11.049 -1.247 1.00 2.67 C ATOM 0 H VAL A 101 19.446 7.131 -1.274 1.00 1.43 H new ATOM 0 HA VAL A 101 19.228 9.858 -2.103 1.00 1.90 H new ATOM 0 HB VAL A 101 20.199 10.148 0.186 1.00 2.20 H new ATOM 0 HG11 VAL A 101 22.489 9.356 0.629 1.00 2.22 H new ATOM 0 HG12 VAL A 101 21.361 8.005 0.366 1.00 2.22 H new ATOM 0 HG13 VAL A 101 22.485 8.489 -0.926 1.00 2.22 H new ATOM 0 HG21 VAL A 101 22.120 11.525 -0.496 1.00 2.67 H new ATOM 0 HG22 VAL A 101 22.101 10.751 -2.099 1.00 2.67 H new ATOM 0 HG23 VAL A 101 20.725 11.752 -1.578 1.00 2.67 H new ATOM 1578 N GLU A 102 20.378 7.461 -3.389 1.00 1.99 N ATOM 1579 CA GLU A 102 21.142 6.840 -4.466 1.00 2.40 C ATOM 1580 C GLU A 102 20.354 6.829 -5.774 1.00 2.00 C ATOM 1581 O GLU A 102 20.937 6.796 -6.857 1.00 2.49 O ATOM 1582 CB GLU A 102 21.541 5.417 -4.076 1.00 3.22 C ATOM 1583 CG GLU A 102 22.941 5.313 -3.498 1.00 3.87 C ATOM 1584 CD GLU A 102 23.453 3.886 -3.462 1.00 4.18 C ATOM 1585 OE1 GLU A 102 22.796 3.036 -2.823 1.00 4.58 O ATOM 1586 OE2 GLU A 102 24.508 3.618 -4.074 1.00 4.47 O ATOM 0 H GLU A 102 19.519 6.972 -3.139 1.00 1.99 H new ATOM 0 HA GLU A 102 22.043 7.433 -4.624 1.00 2.40 H new ATOM 0 HB2 GLU A 102 20.827 5.036 -3.346 1.00 3.22 H new ATOM 0 HB3 GLU A 102 21.472 4.776 -4.955 1.00 3.22 H new ATOM 0 HG2 GLU A 102 23.621 5.924 -4.091 1.00 3.87 H new ATOM 0 HG3 GLU A 102 22.944 5.722 -2.488 1.00 3.87 H new ATOM 1593 N ALA A 103 19.031 6.862 -5.668 1.00 1.84 N ATOM 1594 CA ALA A 103 18.170 6.858 -6.846 1.00 2.56 C ATOM 1595 C ALA A 103 18.599 7.935 -7.837 1.00 3.21 C ATOM 1596 O ALA A 103 18.484 9.130 -7.496 1.00 3.72 O ATOM 1597 CB ALA A 103 16.720 7.064 -6.439 1.00 3.26 C ATOM 1598 OXT ALA A 103 19.044 7.573 -8.947 1.00 3.79 O ATOM 0 H ALA A 103 18.531 6.892 -4.780 1.00 1.84 H new ATOM 0 HA ALA A 103 18.265 5.888 -7.334 1.00 2.56 H new ATOM 0 HB1 ALA A 103 16.088 7.059 -7.327 1.00 3.26 H new ATOM 0 HB2 ALA A 103 16.412 6.260 -5.770 1.00 3.26 H new ATOM 0 HB3 ALA A 103 16.618 8.021 -5.927 1.00 3.26 H new TER 1604 ALA A 103