USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 423 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 97 LYS NZ :NH3+ -166:sc= 0.95 (180deg=0.197) USER MOD Set 1.2: A 128 THR OG1 : rot -70:sc= 0.365 USER MOD Set 2.1: A 107 CYS SG : rot -175:sc= 0.252 USER MOD Set 2.2: A 109 TYR OH : rot 117:sc= 0.778 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 93 LYS NZ :NH3+ -167:sc= -0.103 (180deg=-0.426) USER MOD Single : A 98 CYS SG : rot 100:sc= -0.271 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 CYS SG : rot 14:sc= -1.76! USER MOD Single : A 127 TYR OH : rot 133:sc= 1.56 USER MOD Single : A 130 TYR OH : rot 27:sc= 0.66 USER MOD Single : A 132 ASN : amide:sc=-0.00376 X(o=-0.0038,f=-0.049) USER MOD Single : A 136 GLN :FLIP amide:sc= -0.0448 F(o=-1.2,f=-0.045) USER MOD Single : A 137 ASN : amide:sc= -0.265 X(o=-0.27,f=-0.04) USER MOD Single : A 139 SER OG : rot 24:sc= 0.0302! USER MOD Single : A 143 SER OG : rot 180:sc= 0.0874 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 90 0.019 8.660 -8.238 1.00 7.42 N ATOM 2 CA GLN A 90 -0.171 9.778 -7.320 1.00 8.00 C ATOM 3 C GLN A 90 -1.508 9.657 -6.594 1.00 8.02 C ATOM 4 O GLN A 90 -2.387 8.909 -7.022 1.00 8.02 O ATOM 5 CB GLN A 90 -0.102 11.107 -8.075 1.00 8.61 C ATOM 6 CG GLN A 90 -1.224 11.295 -9.083 1.00 9.27 C ATOM 7 CD GLN A 90 -1.330 12.725 -9.574 1.00 9.99 C ATOM 8 OE1 GLN A 90 -0.462 13.211 -10.298 1.00 10.31 O ATOM 9 NE2 GLN A 90 -2.400 13.408 -9.181 1.00 10.47 N ATOM 0 HA GLN A 90 0.630 9.752 -6.581 1.00 8.00 H new ATOM 0 HB2 GLN A 90 -0.131 11.925 -7.356 1.00 8.61 H new ATOM 0 HB3 GLN A 90 0.855 11.171 -8.593 1.00 8.61 H new ATOM 0 HG2 GLN A 90 -1.058 10.634 -9.933 1.00 9.27 H new ATOM 0 HG3 GLN A 90 -2.170 10.999 -8.629 1.00 9.27 H new ATOM 0 HE21 GLN A 90 -3.095 12.965 -8.580 1.00 10.47 H new ATOM 0 HE22 GLN A 90 -2.526 14.375 -9.480 1.00 10.47 H new ATOM 18 N GLN A 91 -1.648 10.397 -5.495 1.00 8.30 N ATOM 19 CA GLN A 91 -2.875 10.378 -4.699 1.00 8.58 C ATOM 20 C GLN A 91 -3.095 9.004 -4.070 1.00 7.86 C ATOM 21 O GLN A 91 -3.150 7.991 -4.768 1.00 7.55 O ATOM 22 CB GLN A 91 -4.083 10.765 -5.557 1.00 9.49 C ATOM 23 CG GLN A 91 -5.411 10.677 -4.821 1.00 9.88 C ATOM 24 CD GLN A 91 -6.394 9.745 -5.499 1.00 10.82 C ATOM 25 OE1 GLN A 91 -6.621 9.834 -6.706 1.00 11.18 O ATOM 26 NE2 GLN A 91 -6.986 8.845 -4.723 1.00 11.40 N ATOM 0 H GLN A 91 -0.925 11.019 -5.134 1.00 8.30 H new ATOM 0 HA GLN A 91 -2.766 11.110 -3.899 1.00 8.58 H new ATOM 0 HB2 GLN A 91 -3.947 11.783 -5.922 1.00 9.49 H new ATOM 0 HB3 GLN A 91 -4.119 10.115 -6.432 1.00 9.49 H new ATOM 0 HG2 GLN A 91 -5.235 10.334 -3.802 1.00 9.88 H new ATOM 0 HG3 GLN A 91 -5.850 11.672 -4.751 1.00 9.88 H new ATOM 0 HE21 GLN A 91 -6.767 8.807 -3.727 1.00 11.40 H new ATOM 0 HE22 GLN A 91 -7.659 8.191 -5.122 1.00 11.40 H new ATOM 35 N TRP A 92 -3.228 8.978 -2.747 1.00 7.74 N ATOM 36 CA TRP A 92 -3.447 7.728 -2.021 1.00 7.12 C ATOM 37 C TRP A 92 -4.373 7.945 -0.826 1.00 7.81 C ATOM 38 O TRP A 92 -4.104 8.784 0.033 1.00 8.60 O ATOM 39 CB TRP A 92 -2.113 7.143 -1.545 1.00 6.73 C ATOM 40 CG TRP A 92 -1.232 6.664 -2.660 1.00 6.11 C ATOM 41 CD1 TRP A 92 0.054 7.052 -2.912 1.00 6.47 C ATOM 42 CD2 TRP A 92 -1.568 5.710 -3.675 1.00 5.26 C ATOM 43 NE1 TRP A 92 0.536 6.397 -4.020 1.00 5.95 N ATOM 44 CE2 TRP A 92 -0.440 5.569 -4.506 1.00 5.17 C ATOM 45 CE3 TRP A 92 -2.712 4.959 -3.963 1.00 4.81 C ATOM 46 CZ2 TRP A 92 -0.424 4.710 -5.602 1.00 4.65 C ATOM 47 CZ3 TRP A 92 -2.695 4.107 -5.052 1.00 4.27 C ATOM 48 CH2 TRP A 92 -1.557 3.989 -5.860 1.00 4.18 C ATOM 0 H TRP A 92 -3.188 9.807 -2.155 1.00 7.74 H new ATOM 0 HA TRP A 92 -3.921 7.023 -2.704 1.00 7.12 H new ATOM 0 HB2 TRP A 92 -1.579 7.900 -0.971 1.00 6.73 H new ATOM 0 HB3 TRP A 92 -2.312 6.312 -0.868 1.00 6.73 H new ATOM 0 HD1 TRP A 92 0.610 7.769 -2.326 1.00 6.47 H new ATOM 0 HE1 TRP A 92 1.469 6.510 -4.416 1.00 5.95 H new ATOM 0 HE3 TRP A 92 -3.594 5.043 -3.345 1.00 4.81 H new ATOM 0 HZ2 TRP A 92 0.452 4.617 -6.226 1.00 4.65 H new ATOM 0 HZ3 TRP A 92 -3.574 3.523 -5.283 1.00 4.27 H new ATOM 0 HH2 TRP A 92 -1.575 3.315 -6.704 1.00 4.18 H new ATOM 59 N LYS A 93 -5.460 7.182 -0.780 1.00 7.67 N ATOM 60 CA LYS A 93 -6.425 7.287 0.308 1.00 8.46 C ATOM 61 C LYS A 93 -6.825 5.903 0.813 1.00 8.08 C ATOM 62 O LYS A 93 -6.544 4.892 0.167 1.00 7.25 O ATOM 63 CB LYS A 93 -7.668 8.048 -0.156 1.00 9.25 C ATOM 64 CG LYS A 93 -7.834 9.407 0.508 1.00 10.03 C ATOM 65 CD LYS A 93 -8.721 9.321 1.739 1.00 10.80 C ATOM 66 CE LYS A 93 -8.926 10.686 2.374 1.00 11.72 C ATOM 67 NZ LYS A 93 -7.637 11.400 2.587 1.00 12.39 N ATOM 0 H LYS A 93 -5.695 6.483 -1.485 1.00 7.67 H new ATOM 0 HA LYS A 93 -5.955 7.834 1.125 1.00 8.46 H new ATOM 0 HB2 LYS A 93 -7.618 8.185 -1.236 1.00 9.25 H new ATOM 0 HB3 LYS A 93 -8.551 7.443 0.048 1.00 9.25 H new ATOM 0 HG2 LYS A 93 -6.856 9.797 0.790 1.00 10.03 H new ATOM 0 HG3 LYS A 93 -8.265 10.111 -0.204 1.00 10.03 H new ATOM 0 HD2 LYS A 93 -9.687 8.898 1.464 1.00 10.80 H new ATOM 0 HD3 LYS A 93 -8.272 8.644 2.466 1.00 10.80 H new ATOM 0 HE2 LYS A 93 -9.574 11.289 1.737 1.00 11.72 H new ATOM 0 HE3 LYS A 93 -9.438 10.569 3.329 1.00 11.72 H new ATOM 0 HZ1 LYS A 93 -7.792 12.216 3.212 1.00 12.39 H new ATOM 0 HZ2 LYS A 93 -6.950 10.753 3.025 1.00 12.39 H new ATOM 0 HZ3 LYS A 93 -7.267 11.730 1.672 1.00 12.39 H new ATOM 81 N VAL A 94 -7.481 5.864 1.971 1.00 8.81 N ATOM 82 CA VAL A 94 -7.921 4.601 2.557 1.00 8.73 C ATOM 83 C VAL A 94 -8.901 3.886 1.634 1.00 8.69 C ATOM 84 O VAL A 94 -10.023 4.349 1.423 1.00 9.36 O ATOM 85 CB VAL A 94 -8.589 4.812 3.930 1.00 9.74 C ATOM 86 CG1 VAL A 94 -8.707 3.493 4.676 1.00 9.66 C ATOM 87 CG2 VAL A 94 -7.815 5.831 4.753 1.00 10.15 C ATOM 0 H VAL A 94 -7.719 6.690 2.520 1.00 8.81 H new ATOM 0 HA VAL A 94 -7.030 3.988 2.691 1.00 8.73 H new ATOM 0 HB VAL A 94 -9.594 5.201 3.766 1.00 9.74 H new ATOM 0 HG11 VAL A 94 -9.181 3.663 5.643 1.00 9.66 H new ATOM 0 HG12 VAL A 94 -9.311 2.798 4.093 1.00 9.66 H new ATOM 0 HG13 VAL A 94 -7.714 3.071 4.828 1.00 9.66 H new ATOM 0 HG21 VAL A 94 -8.303 5.965 5.718 1.00 10.15 H new ATOM 0 HG22 VAL A 94 -6.796 5.475 4.908 1.00 10.15 H new ATOM 0 HG23 VAL A 94 -7.790 6.783 4.223 1.00 10.15 H new ATOM 97 N GLY A 95 -8.468 2.757 1.084 1.00 8.04 N ATOM 98 CA GLY A 95 -9.316 1.995 0.187 1.00 8.20 C ATOM 99 C GLY A 95 -9.020 2.287 -1.270 1.00 7.64 C ATOM 100 O GLY A 95 -9.699 3.098 -1.898 1.00 8.10 O ATOM 0 H GLY A 95 -7.544 2.356 1.244 1.00 8.04 H new ATOM 0 HA2 GLY A 95 -9.179 0.931 0.377 1.00 8.20 H new ATOM 0 HA3 GLY A 95 -10.361 2.224 0.396 1.00 8.20 H new ATOM 104 N ASP A 96 -8.000 1.624 -1.810 1.00 6.70 N ATOM 105 CA ASP A 96 -7.615 1.819 -3.203 1.00 6.20 C ATOM 106 C ASP A 96 -6.811 0.630 -3.718 1.00 5.53 C ATOM 107 O ASP A 96 -5.958 0.090 -3.012 1.00 4.92 O ATOM 108 CB ASP A 96 -6.799 3.103 -3.355 1.00 5.87 C ATOM 109 CG ASP A 96 -7.111 3.838 -4.645 1.00 6.35 C ATOM 110 OD1 ASP A 96 -8.193 4.457 -4.728 1.00 6.81 O ATOM 111 OD2 ASP A 96 -6.274 3.794 -5.572 1.00 6.44 O ATOM 0 H ASP A 96 -7.427 0.949 -1.304 1.00 6.70 H new ATOM 0 HA ASP A 96 -8.526 1.903 -3.795 1.00 6.20 H new ATOM 0 HB2 ASP A 96 -6.999 3.760 -2.508 1.00 5.87 H new ATOM 0 HB3 ASP A 96 -5.737 2.861 -3.326 1.00 5.87 H new ATOM 116 N LYS A 97 -7.089 0.230 -4.956 1.00 5.83 N ATOM 117 CA LYS A 97 -6.394 -0.893 -5.574 1.00 5.62 C ATOM 118 C LYS A 97 -5.093 -0.433 -6.223 1.00 4.80 C ATOM 119 O LYS A 97 -5.103 0.365 -7.159 1.00 4.86 O ATOM 120 CB LYS A 97 -7.289 -1.564 -6.619 1.00 6.55 C ATOM 121 CG LYS A 97 -8.067 -2.751 -6.079 1.00 7.39 C ATOM 122 CD LYS A 97 -7.687 -4.038 -6.796 1.00 7.70 C ATOM 123 CE LYS A 97 -7.130 -5.069 -5.830 1.00 8.21 C ATOM 124 NZ LYS A 97 -5.653 -4.959 -5.688 1.00 9.10 N ATOM 0 H LYS A 97 -7.792 0.668 -5.551 1.00 5.83 H new ATOM 0 HA LYS A 97 -6.157 -1.616 -4.793 1.00 5.62 H new ATOM 0 HB2 LYS A 97 -7.991 -0.828 -7.011 1.00 6.55 H new ATOM 0 HB3 LYS A 97 -6.673 -1.894 -7.455 1.00 6.55 H new ATOM 0 HG2 LYS A 97 -7.876 -2.858 -5.011 1.00 7.39 H new ATOM 0 HG3 LYS A 97 -9.136 -2.570 -6.195 1.00 7.39 H new ATOM 0 HD2 LYS A 97 -8.562 -4.447 -7.301 1.00 7.70 H new ATOM 0 HD3 LYS A 97 -6.947 -3.822 -7.566 1.00 7.70 H new ATOM 0 HE2 LYS A 97 -7.599 -4.942 -4.854 1.00 8.21 H new ATOM 0 HE3 LYS A 97 -7.387 -6.069 -6.179 1.00 8.21 H new ATOM 0 HZ1 LYS A 97 -5.285 -5.811 -5.218 1.00 9.10 H new ATOM 0 HZ2 LYS A 97 -5.220 -4.868 -6.629 1.00 9.10 H new ATOM 0 HZ3 LYS A 97 -5.421 -4.121 -5.117 1.00 9.10 H new ATOM 138 N CYS A 98 -3.975 -0.943 -5.717 1.00 4.16 N ATOM 139 CA CYS A 98 -2.662 -0.587 -6.245 1.00 3.60 C ATOM 140 C CYS A 98 -1.781 -1.827 -6.383 1.00 3.78 C ATOM 141 O CYS A 98 -2.282 -2.946 -6.498 1.00 4.46 O ATOM 142 CB CYS A 98 -1.987 0.438 -5.330 1.00 2.97 C ATOM 143 SG CYS A 98 -1.614 -0.183 -3.674 1.00 2.58 S ATOM 0 H CYS A 98 -3.952 -1.605 -4.941 1.00 4.16 H new ATOM 0 HA CYS A 98 -2.796 -0.148 -7.233 1.00 3.60 H new ATOM 0 HB2 CYS A 98 -1.061 0.772 -5.798 1.00 2.97 H new ATOM 0 HB3 CYS A 98 -2.633 1.311 -5.242 1.00 2.97 H new ATOM 0 HG CYS A 98 -0.359 -0.516 -3.608 1.00 2.58 H new ATOM 149 N SER A 99 -0.466 -1.622 -6.367 1.00 3.54 N ATOM 150 CA SER A 99 0.482 -2.724 -6.487 1.00 4.08 C ATOM 151 C SER A 99 1.637 -2.546 -5.508 1.00 3.73 C ATOM 152 O SER A 99 2.149 -1.440 -5.333 1.00 3.54 O ATOM 153 CB SER A 99 1.014 -2.816 -7.918 1.00 5.02 C ATOM 154 OG SER A 99 0.318 -3.803 -8.659 1.00 5.76 O ATOM 0 H SER A 99 -0.034 -0.703 -6.272 1.00 3.54 H new ATOM 0 HA SER A 99 -0.038 -3.651 -6.246 1.00 4.08 H new ATOM 0 HB2 SER A 99 0.912 -1.849 -8.410 1.00 5.02 H new ATOM 0 HB3 SER A 99 2.078 -3.054 -7.899 1.00 5.02 H new ATOM 0 HG SER A 99 0.676 -3.841 -9.571 1.00 5.76 H new ATOM 160 N ALA A 100 2.044 -3.638 -4.869 1.00 3.97 N ATOM 161 CA ALA A 100 3.138 -3.593 -3.904 1.00 3.95 C ATOM 162 C ALA A 100 4.100 -4.760 -4.099 1.00 4.93 C ATOM 163 O ALA A 100 3.720 -5.816 -4.605 1.00 5.47 O ATOM 164 CB ALA A 100 2.586 -3.597 -2.486 1.00 3.19 C ATOM 0 H ALA A 100 1.634 -4.563 -5.001 1.00 3.97 H new ATOM 0 HA ALA A 100 3.694 -2.670 -4.069 1.00 3.95 H new ATOM 0 HB1 ALA A 100 3.411 -3.563 -1.774 1.00 3.19 H new ATOM 0 HB2 ALA A 100 1.947 -2.726 -2.342 1.00 3.19 H new ATOM 0 HB3 ALA A 100 2.004 -4.505 -2.325 1.00 3.19 H new ATOM 170 N ILE A 101 5.350 -4.561 -3.689 1.00 5.36 N ATOM 171 CA ILE A 101 6.371 -5.594 -3.813 1.00 6.34 C ATOM 172 C ILE A 101 6.406 -6.478 -2.569 1.00 6.26 C ATOM 173 O ILE A 101 6.406 -5.978 -1.442 1.00 5.81 O ATOM 174 CB ILE A 101 7.769 -4.985 -4.031 1.00 7.10 C ATOM 175 CG1 ILE A 101 7.705 -3.845 -5.051 1.00 7.16 C ATOM 176 CG2 ILE A 101 8.747 -6.056 -4.486 1.00 8.16 C ATOM 177 CD1 ILE A 101 8.432 -2.594 -4.605 1.00 7.47 C ATOM 0 H ILE A 101 5.679 -3.692 -3.268 1.00 5.36 H new ATOM 0 HA ILE A 101 6.107 -6.196 -4.683 1.00 6.34 H new ATOM 0 HB ILE A 101 8.121 -4.576 -3.084 1.00 7.10 H new ATOM 0 HG12 ILE A 101 8.132 -4.187 -5.994 1.00 7.16 H new ATOM 0 HG13 ILE A 101 6.661 -3.599 -5.245 1.00 7.16 H new ATOM 0 HG21 ILE A 101 9.730 -5.611 -4.636 1.00 8.16 H new ATOM 0 HG22 ILE A 101 8.813 -6.835 -3.726 1.00 8.16 H new ATOM 0 HG23 ILE A 101 8.399 -6.492 -5.423 1.00 8.16 H new ATOM 0 HD11 ILE A 101 8.345 -1.828 -5.376 1.00 7.47 H new ATOM 0 HD12 ILE A 101 7.990 -2.227 -3.678 1.00 7.47 H new ATOM 0 HD13 ILE A 101 9.484 -2.824 -4.439 1.00 7.47 H new ATOM 189 N TRP A 102 6.434 -7.790 -2.779 1.00 6.86 N ATOM 190 CA TRP A 102 6.469 -8.739 -1.673 1.00 6.96 C ATOM 191 C TRP A 102 7.906 -9.065 -1.279 1.00 7.60 C ATOM 192 O TRP A 102 8.698 -9.524 -2.102 1.00 8.38 O ATOM 193 CB TRP A 102 5.726 -10.026 -2.048 1.00 7.61 C ATOM 194 CG TRP A 102 5.141 -10.751 -0.870 1.00 7.54 C ATOM 195 CD1 TRP A 102 5.084 -10.316 0.424 1.00 6.89 C ATOM 196 CD2 TRP A 102 4.531 -12.048 -0.882 1.00 8.31 C ATOM 197 NE1 TRP A 102 4.473 -11.259 1.214 1.00 7.22 N ATOM 198 CE2 TRP A 102 4.125 -12.331 0.435 1.00 8.10 C ATOM 199 CE3 TRP A 102 4.289 -12.995 -1.881 1.00 9.26 C ATOM 200 CZ2 TRP A 102 3.490 -13.523 0.779 1.00 8.82 C ATOM 201 CZ3 TRP A 102 3.657 -14.176 -1.538 1.00 9.95 C ATOM 202 CH2 TRP A 102 3.264 -14.430 -0.220 1.00 9.73 C ATOM 0 H TRP A 102 6.433 -8.220 -3.704 1.00 6.86 H new ATOM 0 HA TRP A 102 5.972 -8.278 -0.819 1.00 6.96 H new ATOM 0 HB2 TRP A 102 4.926 -9.783 -2.747 1.00 7.61 H new ATOM 0 HB3 TRP A 102 6.413 -10.693 -2.569 1.00 7.61 H new ATOM 0 HD1 TRP A 102 5.464 -9.368 0.775 1.00 6.89 H new ATOM 0 HE1 TRP A 102 4.306 -11.175 2.217 1.00 7.22 H new ATOM 0 HE3 TRP A 102 4.590 -12.808 -2.901 1.00 9.26 H new ATOM 0 HZ2 TRP A 102 3.188 -13.723 1.796 1.00 8.82 H new ATOM 0 HZ3 TRP A 102 3.463 -14.915 -2.301 1.00 9.95 H new ATOM 0 HH2 TRP A 102 2.772 -15.362 0.014 1.00 9.73 H new ATOM 213 N SER A 103 8.231 -8.821 -0.011 1.00 7.36 N ATOM 214 CA SER A 103 9.572 -9.087 0.499 1.00 8.04 C ATOM 215 C SER A 103 9.785 -10.580 0.726 1.00 8.76 C ATOM 216 O SER A 103 10.913 -11.031 0.928 1.00 9.24 O ATOM 217 CB SER A 103 9.803 -8.323 1.805 1.00 7.63 C ATOM 218 OG SER A 103 8.865 -8.708 2.795 1.00 7.51 O ATOM 0 H SER A 103 7.585 -8.440 0.680 1.00 7.36 H new ATOM 0 HA SER A 103 10.290 -8.747 -0.247 1.00 8.04 H new ATOM 0 HB2 SER A 103 10.814 -8.511 2.166 1.00 7.63 H new ATOM 0 HB3 SER A 103 9.724 -7.251 1.622 1.00 7.63 H new ATOM 0 HG SER A 103 9.035 -8.207 3.620 1.00 7.51 H new ATOM 224 N GLU A 104 8.696 -11.341 0.690 1.00 8.96 N ATOM 225 CA GLU A 104 8.765 -12.785 0.892 1.00 9.78 C ATOM 226 C GLU A 104 9.367 -13.477 -0.328 1.00 10.72 C ATOM 227 O GLU A 104 10.124 -14.438 -0.197 1.00 11.50 O ATOM 228 CB GLU A 104 7.372 -13.348 1.179 1.00 9.65 C ATOM 229 CG GLU A 104 6.926 -13.164 2.619 1.00 9.77 C ATOM 230 CD GLU A 104 6.806 -14.478 3.366 1.00 10.55 C ATOM 231 OE1 GLU A 104 6.658 -15.527 2.703 1.00 10.87 O ATOM 232 OE2 GLU A 104 6.859 -14.461 4.614 1.00 10.99 O ATOM 0 H GLU A 104 7.756 -10.983 0.523 1.00 8.96 H new ATOM 0 HA GLU A 104 9.410 -12.977 1.750 1.00 9.78 H new ATOM 0 HB2 GLU A 104 6.651 -12.865 0.520 1.00 9.65 H new ATOM 0 HB3 GLU A 104 7.362 -14.411 0.937 1.00 9.65 H new ATOM 0 HG2 GLU A 104 7.638 -12.520 3.136 1.00 9.77 H new ATOM 0 HG3 GLU A 104 5.964 -12.653 2.635 1.00 9.77 H new ATOM 239 N ASP A 105 9.027 -12.976 -1.512 1.00 10.68 N ATOM 240 CA ASP A 105 9.535 -13.541 -2.756 1.00 11.61 C ATOM 241 C ASP A 105 10.381 -12.519 -3.510 1.00 11.51 C ATOM 242 O ASP A 105 11.611 -12.588 -3.500 1.00 12.31 O ATOM 243 CB ASP A 105 8.376 -14.013 -3.637 1.00 12.02 C ATOM 244 CG ASP A 105 8.648 -15.356 -4.284 1.00 12.58 C ATOM 245 OD1 ASP A 105 9.731 -15.518 -4.885 1.00 12.80 O ATOM 246 OD2 ASP A 105 7.779 -16.248 -4.187 1.00 12.93 O ATOM 0 H ASP A 105 8.402 -12.180 -1.635 1.00 10.68 H new ATOM 0 HA ASP A 105 10.164 -14.396 -2.509 1.00 11.61 H new ATOM 0 HB2 ASP A 105 7.470 -14.080 -3.035 1.00 12.02 H new ATOM 0 HB3 ASP A 105 8.188 -13.271 -4.413 1.00 12.02 H new ATOM 251 N GLY A 106 9.712 -11.572 -4.162 1.00 10.59 N ATOM 252 CA GLY A 106 10.413 -10.548 -4.914 1.00 10.51 C ATOM 253 C GLY A 106 9.700 -10.190 -6.202 1.00 10.58 C ATOM 254 O GLY A 106 10.331 -10.044 -7.248 1.00 11.27 O ATOM 0 H GLY A 106 8.695 -11.496 -4.182 1.00 10.59 H new ATOM 0 HA2 GLY A 106 10.516 -9.655 -4.298 1.00 10.51 H new ATOM 0 HA3 GLY A 106 11.421 -10.895 -5.144 1.00 10.51 H new ATOM 258 N CYS A 107 8.379 -10.051 -6.126 1.00 9.96 N ATOM 259 CA CYS A 107 7.577 -9.712 -7.297 1.00 10.08 C ATOM 260 C CYS A 107 6.429 -8.777 -6.928 1.00 9.03 C ATOM 261 O CYS A 107 6.123 -8.585 -5.751 1.00 8.22 O ATOM 262 CB CYS A 107 7.023 -10.981 -7.951 1.00 10.82 C ATOM 263 SG CYS A 107 7.861 -12.502 -7.449 1.00 12.07 S ATOM 0 H CYS A 107 7.842 -10.168 -5.267 1.00 9.96 H new ATOM 0 HA CYS A 107 8.225 -9.197 -8.006 1.00 10.08 H new ATOM 0 HB2 CYS A 107 5.963 -11.067 -7.710 1.00 10.82 H new ATOM 0 HB3 CYS A 107 7.097 -10.880 -9.034 1.00 10.82 H new ATOM 0 HG CYS A 107 7.390 -13.503 -8.133 1.00 12.07 H new ATOM 269 N ILE A 108 5.797 -8.201 -7.947 1.00 9.09 N ATOM 270 CA ILE A 108 4.678 -7.285 -7.742 1.00 8.18 C ATOM 271 C ILE A 108 3.349 -8.038 -7.739 1.00 8.20 C ATOM 272 O ILE A 108 3.073 -8.829 -8.639 1.00 9.05 O ATOM 273 CB ILE A 108 4.638 -6.198 -8.834 1.00 8.31 C ATOM 274 CG1 ILE A 108 6.027 -5.586 -9.028 1.00 8.80 C ATOM 275 CG2 ILE A 108 3.626 -5.120 -8.476 1.00 7.33 C ATOM 276 CD1 ILE A 108 6.439 -5.466 -10.480 1.00 9.51 C ATOM 0 H ILE A 108 6.041 -8.353 -8.926 1.00 9.09 H new ATOM 0 HA ILE A 108 4.827 -6.810 -6.772 1.00 8.18 H new ATOM 0 HB ILE A 108 4.330 -6.661 -9.772 1.00 8.31 H new ATOM 0 HG12 ILE A 108 6.046 -4.597 -8.571 1.00 8.80 H new ATOM 0 HG13 ILE A 108 6.760 -6.196 -8.500 1.00 8.80 H new ATOM 0 HG21 ILE A 108 3.611 -4.361 -9.258 1.00 7.33 H new ATOM 0 HG22 ILE A 108 2.636 -5.566 -8.385 1.00 7.33 H new ATOM 0 HG23 ILE A 108 3.905 -4.659 -7.528 1.00 7.33 H new ATOM 0 HD11 ILE A 108 7.434 -5.024 -10.541 1.00 9.51 H new ATOM 0 HD12 ILE A 108 6.453 -6.455 -10.937 1.00 9.51 H new ATOM 0 HD13 ILE A 108 5.728 -4.832 -11.009 1.00 9.51 H new ATOM 288 N TYR A 109 2.531 -7.783 -6.721 1.00 7.40 N ATOM 289 CA TYR A 109 1.231 -8.437 -6.602 1.00 7.58 C ATOM 290 C TYR A 109 0.152 -7.431 -6.203 1.00 6.75 C ATOM 291 O TYR A 109 0.450 -6.401 -5.597 1.00 5.79 O ATOM 292 CB TYR A 109 1.298 -9.568 -5.572 1.00 7.78 C ATOM 293 CG TYR A 109 2.237 -10.690 -5.958 1.00 8.74 C ATOM 294 CD1 TYR A 109 2.052 -11.404 -7.135 1.00 9.44 C ATOM 295 CD2 TYR A 109 3.310 -11.036 -5.144 1.00 9.05 C ATOM 296 CE1 TYR A 109 2.907 -12.430 -7.491 1.00 10.35 C ATOM 297 CE2 TYR A 109 4.170 -12.061 -5.493 1.00 9.98 C ATOM 298 CZ TYR A 109 3.964 -12.754 -6.668 1.00 10.60 C ATOM 299 OH TYR A 109 4.817 -13.775 -7.018 1.00 11.54 O ATOM 0 H TYR A 109 2.745 -7.129 -5.968 1.00 7.40 H new ATOM 0 HA TYR A 109 0.971 -8.856 -7.574 1.00 7.58 H new ATOM 0 HB2 TYR A 109 1.614 -9.156 -4.614 1.00 7.78 H new ATOM 0 HB3 TYR A 109 0.298 -9.977 -5.429 1.00 7.78 H new ATOM 0 HD1 TYR A 109 1.226 -11.153 -7.783 1.00 9.44 H new ATOM 0 HD2 TYR A 109 3.474 -10.495 -4.224 1.00 9.05 H new ATOM 0 HE1 TYR A 109 2.748 -12.975 -8.410 1.00 10.35 H new ATOM 0 HE2 TYR A 109 4.998 -12.318 -4.849 1.00 9.98 H new ATOM 0 HH TYR A 109 5.719 -13.417 -7.150 1.00 11.54 H new ATOM 309 N PRO A 110 -1.125 -7.712 -6.539 1.00 7.22 N ATOM 310 CA PRO A 110 -2.239 -6.818 -6.208 1.00 6.71 C ATOM 311 C PRO A 110 -2.339 -6.549 -4.712 1.00 6.03 C ATOM 312 O PRO A 110 -2.171 -7.455 -3.897 1.00 6.34 O ATOM 313 CB PRO A 110 -3.479 -7.580 -6.690 1.00 7.77 C ATOM 314 CG PRO A 110 -2.971 -8.551 -7.698 1.00 8.66 C ATOM 315 CD PRO A 110 -1.579 -8.914 -7.263 1.00 8.42 C ATOM 0 HA PRO A 110 -2.118 -5.840 -6.673 1.00 6.71 H new ATOM 0 HB2 PRO A 110 -3.973 -8.092 -5.864 1.00 7.77 H new ATOM 0 HB3 PRO A 110 -4.212 -6.903 -7.129 1.00 7.77 H new ATOM 0 HG2 PRO A 110 -3.608 -9.434 -7.743 1.00 8.66 H new ATOM 0 HG3 PRO A 110 -2.965 -8.111 -8.695 1.00 8.66 H new ATOM 0 HD2 PRO A 110 -1.575 -9.795 -6.622 1.00 8.42 H new ATOM 0 HD3 PRO A 110 -0.937 -9.137 -8.115 1.00 8.42 H new ATOM 323 N ALA A 111 -2.612 -5.297 -4.359 1.00 5.22 N ATOM 324 CA ALA A 111 -2.734 -4.910 -2.960 1.00 4.71 C ATOM 325 C ALA A 111 -3.811 -3.845 -2.777 1.00 4.65 C ATOM 326 O ALA A 111 -4.231 -3.201 -3.739 1.00 4.72 O ATOM 327 CB ALA A 111 -1.399 -4.408 -2.433 1.00 3.76 C ATOM 0 H ALA A 111 -2.753 -4.535 -5.022 1.00 5.22 H new ATOM 0 HA ALA A 111 -3.029 -5.791 -2.390 1.00 4.71 H new ATOM 0 HB1 ALA A 111 -1.505 -4.122 -1.386 1.00 3.76 H new ATOM 0 HB2 ALA A 111 -0.653 -5.198 -2.520 1.00 3.76 H new ATOM 0 HB3 ALA A 111 -1.080 -3.543 -3.015 1.00 3.76 H new ATOM 333 N THR A 112 -4.250 -3.666 -1.536 1.00 4.78 N ATOM 334 CA THR A 112 -5.275 -2.679 -1.219 1.00 5.14 C ATOM 335 C THR A 112 -4.897 -1.886 0.025 1.00 4.91 C ATOM 336 O THR A 112 -4.818 -2.437 1.124 1.00 5.15 O ATOM 337 CB THR A 112 -6.646 -3.346 -0.994 1.00 6.32 C ATOM 338 OG1 THR A 112 -6.883 -4.331 -2.006 1.00 6.81 O ATOM 339 CG2 THR A 112 -7.761 -2.312 -1.017 1.00 6.83 C ATOM 0 H THR A 112 -3.911 -4.193 -0.731 1.00 4.78 H new ATOM 0 HA THR A 112 -5.346 -2.005 -2.072 1.00 5.14 H new ATOM 0 HB THR A 112 -6.636 -3.825 -0.015 1.00 6.32 H new ATOM 0 HG1 THR A 112 -7.755 -4.751 -1.855 1.00 6.81 H new ATOM 0 HG21 THR A 112 -8.719 -2.806 -0.856 1.00 6.83 H new ATOM 0 HG22 THR A 112 -7.594 -1.579 -0.228 1.00 6.83 H new ATOM 0 HG23 THR A 112 -7.770 -1.808 -1.984 1.00 6.83 H new ATOM 347 N ILE A 113 -4.658 -0.590 -0.152 1.00 4.70 N ATOM 348 CA ILE A 113 -4.282 0.275 0.959 1.00 4.93 C ATOM 349 C ILE A 113 -5.382 0.329 2.014 1.00 6.00 C ATOM 350 O ILE A 113 -6.422 0.954 1.808 1.00 6.70 O ATOM 351 CB ILE A 113 -3.973 1.706 0.481 1.00 4.99 C ATOM 352 CG1 ILE A 113 -3.001 1.676 -0.700 1.00 4.08 C ATOM 353 CG2 ILE A 113 -3.402 2.530 1.623 1.00 5.66 C ATOM 354 CD1 ILE A 113 -3.574 2.268 -1.968 1.00 4.34 C ATOM 0 H ILE A 113 -4.718 -0.117 -1.054 1.00 4.70 H new ATOM 0 HA ILE A 113 -3.382 -0.154 1.399 1.00 4.93 H new ATOM 0 HB ILE A 113 -4.901 2.172 0.149 1.00 4.99 H new ATOM 0 HG12 ILE A 113 -2.097 2.222 -0.430 1.00 4.08 H new ATOM 0 HG13 ILE A 113 -2.706 0.644 -0.891 1.00 4.08 H new ATOM 0 HG21 ILE A 113 -3.188 3.539 1.272 1.00 5.66 H new ATOM 0 HG22 ILE A 113 -4.126 2.575 2.437 1.00 5.66 H new ATOM 0 HG23 ILE A 113 -2.482 2.068 1.981 1.00 5.66 H new ATOM 0 HD11 ILE A 113 -2.831 2.214 -2.763 1.00 4.34 H new ATOM 0 HD12 ILE A 113 -4.462 1.708 -2.262 1.00 4.34 H new ATOM 0 HD13 ILE A 113 -3.843 3.310 -1.794 1.00 4.34 H new ATOM 366 N ALA A 114 -5.149 -0.342 3.135 1.00 6.19 N ATOM 367 CA ALA A 114 -6.124 -0.386 4.218 1.00 7.25 C ATOM 368 C ALA A 114 -5.928 0.761 5.205 1.00 7.83 C ATOM 369 O ALA A 114 -6.894 1.265 5.777 1.00 8.77 O ATOM 370 CB ALA A 114 -6.043 -1.722 4.941 1.00 7.35 C ATOM 0 H ALA A 114 -4.292 -0.864 3.318 1.00 6.19 H new ATOM 0 HA ALA A 114 -7.114 -0.274 3.776 1.00 7.25 H new ATOM 0 HB1 ALA A 114 -6.775 -1.744 5.748 1.00 7.35 H new ATOM 0 HB2 ALA A 114 -6.252 -2.529 4.239 1.00 7.35 H new ATOM 0 HB3 ALA A 114 -5.043 -1.852 5.355 1.00 7.35 H new ATOM 376 N SER A 115 -4.679 1.171 5.406 1.00 7.42 N ATOM 377 CA SER A 115 -4.380 2.257 6.332 1.00 8.19 C ATOM 378 C SER A 115 -3.201 3.089 5.843 1.00 7.84 C ATOM 379 O SER A 115 -2.301 2.580 5.176 1.00 6.96 O ATOM 380 CB SER A 115 -4.078 1.700 7.725 1.00 8.69 C ATOM 381 OG SER A 115 -4.295 0.300 7.771 1.00 9.20 O ATOM 0 H SER A 115 -3.863 0.770 4.943 1.00 7.42 H new ATOM 0 HA SER A 115 -5.257 2.901 6.384 1.00 8.19 H new ATOM 0 HB2 SER A 115 -3.044 1.920 7.992 1.00 8.69 H new ATOM 0 HB3 SER A 115 -4.710 2.194 8.463 1.00 8.69 H new ATOM 0 HG SER A 115 -4.094 -0.033 8.671 1.00 9.20 H new ATOM 387 N ILE A 116 -3.218 4.375 6.180 1.00 8.68 N ATOM 388 CA ILE A 116 -2.155 5.289 5.780 1.00 8.72 C ATOM 389 C ILE A 116 -1.734 6.175 6.944 1.00 9.82 C ATOM 390 O ILE A 116 -2.557 6.569 7.769 1.00 10.64 O ATOM 391 CB ILE A 116 -2.598 6.183 4.606 1.00 8.70 C ATOM 392 CG1 ILE A 116 -2.973 5.329 3.399 1.00 7.65 C ATOM 393 CG2 ILE A 116 -1.501 7.172 4.238 1.00 8.99 C ATOM 394 CD1 ILE A 116 -3.705 6.103 2.326 1.00 7.79 C ATOM 0 H ILE A 116 -3.959 4.808 6.731 1.00 8.68 H new ATOM 0 HA ILE A 116 -1.310 4.678 5.464 1.00 8.72 H new ATOM 0 HB ILE A 116 -3.476 6.748 4.918 1.00 8.70 H new ATOM 0 HG12 ILE A 116 -2.068 4.897 2.973 1.00 7.65 H new ATOM 0 HG13 ILE A 116 -3.598 4.499 3.729 1.00 7.65 H new ATOM 0 HG21 ILE A 116 -1.835 7.793 3.407 1.00 8.99 H new ATOM 0 HG22 ILE A 116 -1.278 7.805 5.097 1.00 8.99 H new ATOM 0 HG23 ILE A 116 -0.603 6.627 3.946 1.00 8.99 H new ATOM 0 HD11 ILE A 116 -3.943 5.438 1.496 1.00 7.79 H new ATOM 0 HD12 ILE A 116 -4.627 6.513 2.738 1.00 7.79 H new ATOM 0 HD13 ILE A 116 -3.074 6.917 1.970 1.00 7.79 H new ATOM 406 N ASP A 117 -0.446 6.493 7.000 1.00 9.92 N ATOM 407 CA ASP A 117 0.084 7.340 8.059 1.00 11.01 C ATOM 408 C ASP A 117 0.983 8.427 7.482 1.00 11.42 C ATOM 409 O ASP A 117 2.161 8.194 7.205 1.00 11.09 O ATOM 410 CB ASP A 117 0.860 6.501 9.076 1.00 11.04 C ATOM 411 CG ASP A 117 0.069 6.254 10.346 1.00 11.32 C ATOM 412 OD1 ASP A 117 -1.176 6.197 10.270 1.00 11.56 O ATOM 413 OD2 ASP A 117 0.696 6.118 11.418 1.00 11.44 O ATOM 0 H ASP A 117 0.250 6.177 6.324 1.00 9.92 H new ATOM 0 HA ASP A 117 -0.756 7.817 8.564 1.00 11.01 H new ATOM 0 HB2 ASP A 117 1.127 5.545 8.626 1.00 11.04 H new ATOM 0 HB3 ASP A 117 1.792 7.008 9.325 1.00 11.04 H new ATOM 418 N PHE A 118 0.412 9.615 7.292 1.00 12.23 N ATOM 419 CA PHE A 118 1.148 10.746 6.736 1.00 12.79 C ATOM 420 C PHE A 118 2.179 11.292 7.723 1.00 13.61 C ATOM 421 O PHE A 118 2.701 12.392 7.536 1.00 14.24 O ATOM 422 CB PHE A 118 0.175 11.855 6.330 1.00 13.45 C ATOM 423 CG PHE A 118 -0.808 11.430 5.277 1.00 12.78 C ATOM 424 CD1 PHE A 118 -0.459 11.452 3.937 1.00 12.45 C ATOM 425 CD2 PHE A 118 -2.079 11.006 5.629 1.00 12.56 C ATOM 426 CE1 PHE A 118 -1.360 11.058 2.965 1.00 11.89 C ATOM 427 CE2 PHE A 118 -2.986 10.611 4.663 1.00 12.01 C ATOM 428 CZ PHE A 118 -2.624 10.637 3.330 1.00 11.67 C ATOM 0 H PHE A 118 -0.562 9.818 7.516 1.00 12.23 H new ATOM 0 HA PHE A 118 1.686 10.391 5.857 1.00 12.79 H new ATOM 0 HB2 PHE A 118 -0.371 12.190 7.212 1.00 13.45 H new ATOM 0 HB3 PHE A 118 0.743 12.710 5.963 1.00 13.45 H new ATOM 0 HD1 PHE A 118 0.528 11.781 3.648 1.00 12.45 H new ATOM 0 HD2 PHE A 118 -2.365 10.984 6.670 1.00 12.56 H new ATOM 0 HE1 PHE A 118 -1.076 11.079 1.923 1.00 11.89 H new ATOM 0 HE2 PHE A 118 -3.974 10.283 4.950 1.00 12.01 H new ATOM 0 HZ PHE A 118 -3.330 10.328 2.573 1.00 11.67 H new ATOM 438 N LYS A 119 2.475 10.522 8.766 1.00 13.66 N ATOM 439 CA LYS A 119 3.450 10.937 9.766 1.00 14.45 C ATOM 440 C LYS A 119 4.799 10.266 9.515 1.00 14.19 C ATOM 441 O LYS A 119 5.803 10.938 9.278 1.00 14.83 O ATOM 442 CB LYS A 119 2.952 10.601 11.173 1.00 14.52 C ATOM 443 CG LYS A 119 3.217 11.700 12.188 1.00 15.42 C ATOM 444 CD LYS A 119 2.070 12.691 12.252 1.00 16.01 C ATOM 445 CE LYS A 119 1.526 12.823 13.665 1.00 16.53 C ATOM 446 NZ LYS A 119 0.666 11.668 14.041 1.00 16.87 N ATOM 0 H LYS A 119 2.054 9.609 8.939 1.00 13.66 H new ATOM 0 HA LYS A 119 3.578 12.017 9.687 1.00 14.45 H new ATOM 0 HB2 LYS A 119 1.881 10.405 11.133 1.00 14.52 H new ATOM 0 HB3 LYS A 119 3.432 9.682 11.510 1.00 14.52 H new ATOM 0 HG2 LYS A 119 3.371 11.257 13.172 1.00 15.42 H new ATOM 0 HG3 LYS A 119 4.137 12.224 11.926 1.00 15.42 H new ATOM 0 HD2 LYS A 119 2.409 13.665 11.899 1.00 16.01 H new ATOM 0 HD3 LYS A 119 1.272 12.370 11.582 1.00 16.01 H new ATOM 0 HE2 LYS A 119 2.356 12.901 14.367 1.00 16.53 H new ATOM 0 HE3 LYS A 119 0.951 13.745 13.748 1.00 16.53 H new ATOM 0 HZ1 LYS A 119 0.316 11.798 15.012 1.00 16.87 H new ATOM 0 HZ2 LYS A 119 -0.140 11.608 13.387 1.00 16.87 H new ATOM 0 HZ3 LYS A 119 1.221 10.790 13.988 1.00 16.87 H new ATOM 460 N ARG A 120 4.811 8.937 9.559 1.00 13.31 N ATOM 461 CA ARG A 120 6.035 8.173 9.329 1.00 13.08 C ATOM 462 C ARG A 120 6.098 7.688 7.885 1.00 12.15 C ATOM 463 O ARG A 120 6.719 6.666 7.590 1.00 11.68 O ATOM 464 CB ARG A 120 6.110 6.980 10.286 1.00 12.82 C ATOM 465 CG ARG A 120 5.320 7.173 11.571 1.00 13.39 C ATOM 466 CD ARG A 120 6.239 7.337 12.772 1.00 13.47 C ATOM 467 NE ARG A 120 5.585 8.048 13.866 1.00 14.06 N ATOM 468 CZ ARG A 120 4.899 7.446 14.833 1.00 14.44 C ATOM 469 NH1 ARG A 120 4.777 6.124 14.841 1.00 14.31 N ATOM 470 NH2 ARG A 120 4.334 8.164 15.792 1.00 15.09 N ATOM 0 H ARG A 120 3.988 8.366 9.752 1.00 13.31 H new ATOM 0 HA ARG A 120 6.886 8.827 9.517 1.00 13.08 H new ATOM 0 HB2 ARG A 120 5.741 6.091 9.774 1.00 12.82 H new ATOM 0 HB3 ARG A 120 7.154 6.793 10.537 1.00 12.82 H new ATOM 0 HG2 ARG A 120 4.681 8.051 11.478 1.00 13.39 H new ATOM 0 HG3 ARG A 120 4.664 6.317 11.728 1.00 13.39 H new ATOM 0 HD2 ARG A 120 6.561 6.355 13.119 1.00 13.47 H new ATOM 0 HD3 ARG A 120 7.136 7.879 12.471 1.00 13.47 H new ATOM 0 HE ARG A 120 5.658 9.065 13.890 1.00 14.06 H new ATOM 0 HH11 ARG A 120 5.210 5.567 14.104 1.00 14.31 H new ATOM 0 HH12 ARG A 120 4.250 5.665 15.584 1.00 14.31 H new ATOM 0 HH21 ARG A 120 4.425 9.180 15.789 1.00 15.09 H new ATOM 0 HH22 ARG A 120 3.808 7.701 16.533 1.00 15.09 H new ATOM 484 N GLU A 121 5.458 8.443 6.993 1.00 11.98 N ATOM 485 CA GLU A 121 5.432 8.120 5.567 1.00 11.15 C ATOM 486 C GLU A 121 5.299 6.615 5.336 1.00 10.00 C ATOM 487 O GLU A 121 6.132 6.007 4.666 1.00 9.65 O ATOM 488 CB GLU A 121 6.699 8.641 4.887 1.00 11.64 C ATOM 489 CG GLU A 121 6.434 9.731 3.861 1.00 12.24 C ATOM 490 CD GLU A 121 6.551 9.231 2.434 1.00 13.04 C ATOM 491 OE1 GLU A 121 7.205 8.189 2.221 1.00 13.22 O ATOM 492 OE2 GLU A 121 5.988 9.881 1.528 1.00 13.61 O ATOM 0 H GLU A 121 4.946 9.291 7.236 1.00 11.98 H new ATOM 0 HA GLU A 121 4.559 8.606 5.131 1.00 11.15 H new ATOM 0 HB2 GLU A 121 7.377 9.027 5.648 1.00 11.64 H new ATOM 0 HB3 GLU A 121 7.207 7.810 4.399 1.00 11.64 H new ATOM 0 HG2 GLU A 121 5.435 10.138 4.019 1.00 12.24 H new ATOM 0 HG3 GLU A 121 7.139 10.548 4.014 1.00 12.24 H new ATOM 499 N THR A 122 4.251 6.019 5.897 1.00 9.51 N ATOM 500 CA THR A 122 4.020 4.586 5.748 1.00 8.44 C ATOM 501 C THR A 122 2.545 4.283 5.521 1.00 7.82 C ATOM 502 O THR A 122 1.690 5.150 5.690 1.00 8.35 O ATOM 503 CB THR A 122 4.509 3.809 6.984 1.00 8.64 C ATOM 504 OG1 THR A 122 4.146 4.509 8.180 1.00 9.57 O ATOM 505 CG2 THR A 122 6.018 3.618 6.943 1.00 8.95 C ATOM 0 H THR A 122 3.550 6.504 6.457 1.00 9.51 H new ATOM 0 HA THR A 122 4.589 4.265 4.875 1.00 8.44 H new ATOM 0 HB THR A 122 4.033 2.828 6.978 1.00 8.64 H new ATOM 0 HG1 THR A 122 4.459 4.007 8.961 1.00 9.57 H new ATOM 0 HG21 THR A 122 6.339 3.067 7.827 1.00 8.95 H new ATOM 0 HG22 THR A 122 6.290 3.059 6.048 1.00 8.95 H new ATOM 0 HG23 THR A 122 6.508 4.592 6.925 1.00 8.95 H new ATOM 513 N CYS A 123 2.254 3.042 5.136 1.00 6.82 N ATOM 514 CA CYS A 123 0.879 2.621 4.884 1.00 6.32 C ATOM 515 C CYS A 123 0.780 1.100 4.798 1.00 5.48 C ATOM 516 O CYS A 123 1.649 0.444 4.224 1.00 5.04 O ATOM 517 CB CYS A 123 0.359 3.250 3.592 1.00 5.96 C ATOM 518 SG CYS A 123 0.946 2.440 2.086 1.00 5.05 S ATOM 0 H CYS A 123 2.952 2.312 4.992 1.00 6.82 H new ATOM 0 HA CYS A 123 0.265 2.960 5.718 1.00 6.32 H new ATOM 0 HB2 CYS A 123 -0.731 3.227 3.603 1.00 5.96 H new ATOM 0 HB3 CYS A 123 0.655 4.299 3.566 1.00 5.96 H new ATOM 0 HG CYS A 123 1.472 1.290 2.388 1.00 5.05 H new ATOM 524 N VAL A 124 -0.287 0.551 5.369 1.00 5.51 N ATOM 525 CA VAL A 124 -0.507 -0.892 5.355 1.00 5.03 C ATOM 526 C VAL A 124 -1.308 -1.306 4.125 1.00 4.47 C ATOM 527 O VAL A 124 -2.216 -0.593 3.698 1.00 4.86 O ATOM 528 CB VAL A 124 -1.250 -1.358 6.623 1.00 5.88 C ATOM 529 CG1 VAL A 124 -1.494 -2.858 6.584 1.00 5.71 C ATOM 530 CG2 VAL A 124 -0.474 -0.971 7.872 1.00 6.50 C ATOM 0 H VAL A 124 -1.014 1.083 5.848 1.00 5.51 H new ATOM 0 HA VAL A 124 0.474 -1.367 5.326 1.00 5.03 H new ATOM 0 HB VAL A 124 -2.218 -0.858 6.654 1.00 5.88 H new ATOM 0 HG11 VAL A 124 -2.019 -3.165 7.488 1.00 5.71 H new ATOM 0 HG12 VAL A 124 -2.098 -3.106 5.711 1.00 5.71 H new ATOM 0 HG13 VAL A 124 -0.539 -3.380 6.524 1.00 5.71 H new ATOM 0 HG21 VAL A 124 -1.015 -1.309 8.756 1.00 6.50 H new ATOM 0 HG22 VAL A 124 0.510 -1.439 7.848 1.00 6.50 H new ATOM 0 HG23 VAL A 124 -0.360 0.112 7.908 1.00 6.50 H new ATOM 540 N VAL A 125 -0.965 -2.459 3.555 1.00 3.79 N ATOM 541 CA VAL A 125 -1.655 -2.957 2.372 1.00 3.55 C ATOM 542 C VAL A 125 -2.108 -4.400 2.560 1.00 4.11 C ATOM 543 O VAL A 125 -1.490 -5.169 3.302 1.00 4.19 O ATOM 544 CB VAL A 125 -0.755 -2.877 1.124 1.00 2.74 C ATOM 545 CG1 VAL A 125 -0.559 -1.431 0.695 1.00 2.53 C ATOM 546 CG2 VAL A 125 0.584 -3.550 1.390 1.00 2.61 C ATOM 0 H VAL A 125 -0.216 -3.063 3.893 1.00 3.79 H new ATOM 0 HA VAL A 125 -2.529 -2.321 2.228 1.00 3.55 H new ATOM 0 HB VAL A 125 -1.248 -3.407 0.309 1.00 2.74 H new ATOM 0 HG11 VAL A 125 0.079 -1.397 -0.188 1.00 2.53 H new ATOM 0 HG12 VAL A 125 -1.526 -0.987 0.461 1.00 2.53 H new ATOM 0 HG13 VAL A 125 -0.089 -0.872 1.504 1.00 2.53 H new ATOM 0 HG21 VAL A 125 1.208 -3.485 0.498 1.00 2.61 H new ATOM 0 HG22 VAL A 125 1.084 -3.050 2.220 1.00 2.61 H new ATOM 0 HG23 VAL A 125 0.421 -4.598 1.643 1.00 2.61 H new ATOM 556 N VAL A 126 -3.189 -4.764 1.875 1.00 4.74 N ATOM 557 CA VAL A 126 -3.733 -6.114 1.951 1.00 5.60 C ATOM 558 C VAL A 126 -3.604 -6.821 0.607 1.00 5.78 C ATOM 559 O VAL A 126 -3.915 -6.249 -0.438 1.00 5.73 O ATOM 560 CB VAL A 126 -5.215 -6.101 2.375 1.00 6.59 C ATOM 561 CG1 VAL A 126 -5.731 -7.519 2.562 1.00 7.53 C ATOM 562 CG2 VAL A 126 -5.401 -5.288 3.647 1.00 6.75 C ATOM 0 H VAL A 126 -3.707 -4.138 1.258 1.00 4.74 H new ATOM 0 HA VAL A 126 -3.157 -6.652 2.704 1.00 5.60 H new ATOM 0 HB VAL A 126 -5.795 -5.629 1.581 1.00 6.59 H new ATOM 0 HG11 VAL A 126 -6.779 -7.488 2.861 1.00 7.53 H new ATOM 0 HG12 VAL A 126 -5.637 -8.067 1.624 1.00 7.53 H new ATOM 0 HG13 VAL A 126 -5.148 -8.020 3.335 1.00 7.53 H new ATOM 0 HG21 VAL A 126 -6.454 -5.291 3.930 1.00 6.75 H new ATOM 0 HG22 VAL A 126 -4.808 -5.727 4.449 1.00 6.75 H new ATOM 0 HG23 VAL A 126 -5.075 -4.262 3.474 1.00 6.75 H new ATOM 572 N TYR A 127 -3.138 -8.065 0.638 1.00 6.19 N ATOM 573 CA TYR A 127 -2.961 -8.844 -0.583 1.00 6.72 C ATOM 574 C TYR A 127 -4.282 -9.449 -1.045 1.00 7.79 C ATOM 575 O TYR A 127 -4.813 -10.368 -0.422 1.00 8.59 O ATOM 576 CB TYR A 127 -1.918 -9.940 -0.362 1.00 7.03 C ATOM 577 CG TYR A 127 -0.496 -9.424 -0.378 1.00 6.28 C ATOM 578 CD1 TYR A 127 -0.061 -8.494 0.558 1.00 5.71 C ATOM 579 CD2 TYR A 127 0.415 -9.871 -1.327 1.00 6.38 C ATOM 580 CE1 TYR A 127 1.239 -8.025 0.548 1.00 5.23 C ATOM 581 CE2 TYR A 127 1.717 -9.409 -1.343 1.00 5.99 C ATOM 582 CZ TYR A 127 2.114 -8.461 -0.409 1.00 5.42 C ATOM 583 OH TYR A 127 3.420 -8.025 -0.414 1.00 5.31 O ATOM 0 H TYR A 127 -2.876 -8.555 1.493 1.00 6.19 H new ATOM 0 HA TYR A 127 -2.608 -8.174 -1.367 1.00 6.72 H new ATOM 0 HB2 TYR A 127 -2.110 -10.427 0.594 1.00 7.03 H new ATOM 0 HB3 TYR A 127 -2.030 -10.700 -1.135 1.00 7.03 H new ATOM 0 HD1 TYR A 127 -0.750 -8.131 1.306 1.00 5.71 H new ATOM 0 HD2 TYR A 127 0.100 -10.593 -2.066 1.00 6.38 H new ATOM 0 HE1 TYR A 127 1.564 -7.315 1.295 1.00 5.23 H new ATOM 0 HE2 TYR A 127 2.419 -9.781 -2.074 1.00 5.99 H new ATOM 0 HH TYR A 127 4.020 -8.791 -0.530 1.00 5.31 H new ATOM 593 N THR A 128 -4.806 -8.912 -2.143 1.00 7.86 N ATOM 594 CA THR A 128 -6.070 -9.374 -2.708 1.00 8.91 C ATOM 595 C THR A 128 -6.048 -10.870 -3.008 1.00 9.91 C ATOM 596 O THR A 128 -6.764 -11.652 -2.381 1.00 10.27 O ATOM 597 CB THR A 128 -6.404 -8.615 -4.006 1.00 8.84 C ATOM 598 OG1 THR A 128 -5.540 -7.481 -4.149 1.00 7.77 O ATOM 599 CG2 THR A 128 -7.853 -8.158 -4.011 1.00 9.50 C ATOM 0 H THR A 128 -4.370 -8.150 -2.663 1.00 7.86 H new ATOM 0 HA THR A 128 -6.835 -9.177 -1.957 1.00 8.91 H new ATOM 0 HB THR A 128 -6.252 -9.295 -4.845 1.00 8.84 H new ATOM 0 HG1 THR A 128 -5.772 -6.806 -3.478 1.00 7.77 H new ATOM 0 HG21 THR A 128 -8.063 -7.625 -4.938 1.00 9.50 H new ATOM 0 HG22 THR A 128 -8.508 -9.026 -3.935 1.00 9.50 H new ATOM 0 HG23 THR A 128 -8.028 -7.495 -3.164 1.00 9.50 H new ATOM 607 N GLY A 129 -5.233 -11.259 -3.985 1.00 10.49 N ATOM 608 CA GLY A 129 -5.141 -12.655 -4.374 1.00 11.51 C ATOM 609 C GLY A 129 -4.659 -13.566 -3.258 1.00 11.53 C ATOM 610 O GLY A 129 -4.666 -14.789 -3.410 1.00 12.41 O ATOM 0 H GLY A 129 -4.632 -10.629 -4.516 1.00 10.49 H new ATOM 0 HA2 GLY A 129 -6.120 -12.995 -4.712 1.00 11.51 H new ATOM 0 HA3 GLY A 129 -4.463 -12.743 -5.223 1.00 11.51 H new ATOM 614 N TYR A 130 -4.233 -12.985 -2.142 1.00 10.62 N ATOM 615 CA TYR A 130 -3.744 -13.775 -1.019 1.00 10.62 C ATOM 616 C TYR A 130 -4.646 -13.617 0.203 1.00 10.60 C ATOM 617 O TYR A 130 -5.650 -14.317 0.338 1.00 11.27 O ATOM 618 CB TYR A 130 -2.306 -13.377 -0.673 1.00 9.73 C ATOM 619 CG TYR A 130 -1.346 -13.503 -1.836 1.00 10.03 C ATOM 620 CD1 TYR A 130 -1.338 -12.566 -2.861 1.00 9.83 C ATOM 621 CD2 TYR A 130 -0.451 -14.563 -1.909 1.00 10.64 C ATOM 622 CE1 TYR A 130 -0.463 -12.681 -3.926 1.00 10.27 C ATOM 623 CE2 TYR A 130 0.427 -14.683 -2.968 1.00 11.09 C ATOM 624 CZ TYR A 130 0.417 -13.742 -3.975 1.00 10.92 C ATOM 625 OH TYR A 130 1.289 -13.860 -5.032 1.00 11.49 O ATOM 0 H TYR A 130 -4.216 -11.976 -1.991 1.00 10.62 H new ATOM 0 HA TYR A 130 -3.759 -14.824 -1.315 1.00 10.62 H new ATOM 0 HB2 TYR A 130 -2.299 -12.347 -0.317 1.00 9.73 H new ATOM 0 HB3 TYR A 130 -1.953 -14.001 0.148 1.00 9.73 H new ATOM 0 HD1 TYR A 130 -2.026 -11.734 -2.826 1.00 9.83 H new ATOM 0 HD2 TYR A 130 -0.442 -15.305 -1.125 1.00 10.64 H new ATOM 0 HE1 TYR A 130 -0.469 -11.944 -4.715 1.00 10.27 H new ATOM 0 HE2 TYR A 130 1.119 -15.511 -3.007 1.00 11.09 H new ATOM 0 HH TYR A 130 1.474 -12.972 -5.404 1.00 11.49 H new ATOM 635 N GLY A 131 -4.280 -12.700 1.095 1.00 9.97 N ATOM 636 CA GLY A 131 -5.061 -12.473 2.297 1.00 10.07 C ATOM 637 C GLY A 131 -4.197 -12.014 3.454 1.00 9.30 C ATOM 638 O GLY A 131 -4.666 -11.890 4.586 1.00 9.47 O ATOM 0 H GLY A 131 -3.454 -12.109 1.005 1.00 9.97 H new ATOM 0 HA2 GLY A 131 -5.827 -11.724 2.096 1.00 10.07 H new ATOM 0 HA3 GLY A 131 -5.579 -13.392 2.573 1.00 10.07 H new ATOM 642 N ASN A 132 -2.927 -11.760 3.158 1.00 8.58 N ATOM 643 CA ASN A 132 -1.976 -11.308 4.168 1.00 7.89 C ATOM 644 C ASN A 132 -1.965 -9.787 4.257 1.00 6.95 C ATOM 645 O ASN A 132 -2.328 -9.099 3.303 1.00 6.64 O ATOM 646 CB ASN A 132 -0.571 -11.820 3.841 1.00 7.85 C ATOM 647 CG ASN A 132 -0.594 -13.165 3.138 1.00 7.69 C ATOM 648 OD1 ASN A 132 -1.215 -14.116 3.614 1.00 7.99 O ATOM 649 ND2 ASN A 132 0.082 -13.250 1.998 1.00 7.49 N ATOM 0 H ASN A 132 -2.531 -11.860 2.223 1.00 8.58 H new ATOM 0 HA ASN A 132 -2.287 -11.711 5.132 1.00 7.89 H new ATOM 0 HB2 ASN A 132 -0.060 -11.092 3.211 1.00 7.85 H new ATOM 0 HB3 ASN A 132 0.005 -11.904 4.762 1.00 7.85 H new ATOM 0 HD21 ASN A 132 0.100 -14.129 1.480 1.00 7.49 H new ATOM 0 HD22 ASN A 132 0.583 -12.437 1.640 1.00 7.49 H new ATOM 656 N ARG A 133 -1.548 -9.263 5.405 1.00 6.59 N ATOM 657 CA ARG A 133 -1.491 -7.822 5.614 1.00 5.87 C ATOM 658 C ARG A 133 -0.106 -7.411 6.104 1.00 5.31 C ATOM 659 O ARG A 133 0.324 -7.815 7.184 1.00 5.65 O ATOM 660 CB ARG A 133 -2.555 -7.390 6.626 1.00 6.37 C ATOM 661 CG ARG A 133 -3.005 -5.948 6.460 1.00 6.55 C ATOM 662 CD ARG A 133 -3.726 -5.444 7.700 1.00 7.46 C ATOM 663 NE ARG A 133 -5.117 -5.096 7.423 1.00 7.96 N ATOM 664 CZ ARG A 133 -6.026 -4.881 8.370 1.00 8.74 C ATOM 665 NH1 ARG A 133 -5.695 -4.992 9.649 1.00 9.12 N ATOM 666 NH2 ARG A 133 -7.268 -4.556 8.037 1.00 9.35 N ATOM 0 H ARG A 133 -1.244 -9.817 6.206 1.00 6.59 H new ATOM 0 HA ARG A 133 -1.688 -7.327 4.663 1.00 5.87 H new ATOM 0 HB2 ARG A 133 -3.421 -8.045 6.531 1.00 6.37 H new ATOM 0 HB3 ARG A 133 -2.162 -7.525 7.634 1.00 6.37 H new ATOM 0 HG2 ARG A 133 -2.140 -5.316 6.259 1.00 6.55 H new ATOM 0 HG3 ARG A 133 -3.665 -5.869 5.596 1.00 6.55 H new ATOM 0 HD2 ARG A 133 -3.692 -6.210 8.475 1.00 7.46 H new ATOM 0 HD3 ARG A 133 -3.205 -4.570 8.092 1.00 7.46 H new ATOM 0 HE ARG A 133 -5.408 -5.013 6.449 1.00 7.96 H new ATOM 0 HH11 ARG A 133 -4.741 -5.243 9.909 1.00 9.12 H new ATOM 0 HH12 ARG A 133 -6.394 -4.827 10.373 1.00 9.12 H new ATOM 0 HH21 ARG A 133 -7.527 -4.471 7.054 1.00 9.35 H new ATOM 0 HH22 ARG A 133 -7.964 -4.391 8.764 1.00 9.35 H new ATOM 680 N GLU A 134 0.593 -6.612 5.302 1.00 4.60 N ATOM 681 CA GLU A 134 1.934 -6.162 5.660 1.00 4.37 C ATOM 682 C GLU A 134 2.082 -4.657 5.466 1.00 4.10 C ATOM 683 O GLU A 134 1.326 -4.040 4.714 1.00 3.69 O ATOM 684 CB GLU A 134 2.985 -6.900 4.826 1.00 4.32 C ATOM 685 CG GLU A 134 2.705 -8.386 4.672 1.00 4.69 C ATOM 686 CD GLU A 134 3.313 -8.967 3.410 1.00 5.28 C ATOM 687 OE1 GLU A 134 4.457 -8.596 3.078 1.00 5.81 O ATOM 688 OE2 GLU A 134 2.644 -9.793 2.754 1.00 5.49 O ATOM 0 H GLU A 134 0.255 -6.265 4.405 1.00 4.60 H new ATOM 0 HA GLU A 134 2.090 -6.388 6.715 1.00 4.37 H new ATOM 0 HB2 GLU A 134 3.038 -6.444 3.837 1.00 4.32 H new ATOM 0 HB3 GLU A 134 3.963 -6.769 5.290 1.00 4.32 H new ATOM 0 HG2 GLU A 134 3.099 -8.918 5.538 1.00 4.69 H new ATOM 0 HG3 GLU A 134 1.627 -8.549 4.660 1.00 4.69 H new ATOM 695 N GLU A 135 3.064 -4.074 6.147 1.00 4.58 N ATOM 696 CA GLU A 135 3.318 -2.641 6.051 1.00 4.87 C ATOM 697 C GLU A 135 4.314 -2.338 4.937 1.00 4.79 C ATOM 698 O GLU A 135 5.309 -3.045 4.772 1.00 5.09 O ATOM 699 CB GLU A 135 3.850 -2.106 7.384 1.00 5.81 C ATOM 700 CG GLU A 135 3.466 -0.661 7.656 1.00 6.48 C ATOM 701 CD GLU A 135 4.039 -0.144 8.960 1.00 7.38 C ATOM 702 OE1 GLU A 135 5.270 -0.231 9.144 1.00 7.78 O ATOM 703 OE2 GLU A 135 3.254 0.352 9.798 1.00 7.86 O ATOM 0 H GLU A 135 3.697 -4.573 6.772 1.00 4.58 H new ATOM 0 HA GLU A 135 2.376 -2.146 5.817 1.00 4.87 H new ATOM 0 HB2 GLU A 135 3.474 -2.732 8.193 1.00 5.81 H new ATOM 0 HB3 GLU A 135 4.937 -2.192 7.393 1.00 5.81 H new ATOM 0 HG2 GLU A 135 3.816 -0.035 6.835 1.00 6.48 H new ATOM 0 HG3 GLU A 135 2.380 -0.576 7.681 1.00 6.48 H new ATOM 710 N GLN A 136 4.040 -1.285 4.176 1.00 4.64 N ATOM 711 CA GLN A 136 4.912 -0.888 3.077 1.00 4.84 C ATOM 712 C GLN A 136 5.076 0.627 3.034 1.00 5.56 C ATOM 713 O GLN A 136 4.415 1.354 3.775 1.00 5.86 O ATOM 714 CB GLN A 136 4.346 -1.388 1.747 1.00 4.04 C ATOM 715 CG GLN A 136 5.411 -1.672 0.700 1.00 4.34 C ATOM 716 CD GLN A 136 5.813 -3.134 0.655 1.00 4.37 C ATOM 717 OE1 GLN A 136 4.903 -3.983 0.194 1.00 4.53 O flip ATOM 718 NE2 GLN A 136 6.928 -3.494 1.031 1.00 4.63 N flip ATOM 0 H GLN A 136 3.221 -0.690 4.300 1.00 4.64 H new ATOM 0 HA GLN A 136 5.892 -1.337 3.241 1.00 4.84 H new ATOM 0 HB2 GLN A 136 3.772 -2.297 1.925 1.00 4.04 H new ATOM 0 HB3 GLN A 136 3.652 -0.645 1.355 1.00 4.04 H new ATOM 0 HG2 GLN A 136 5.041 -1.371 -0.280 1.00 4.34 H new ATOM 0 HG3 GLN A 136 6.291 -1.064 0.909 1.00 4.34 H new ATOM 0 HE21 GLN A 136 7.596 -2.806 1.378 1.00 4.63 H new ATOM 0 HE22 GLN A 136 7.184 -4.481 0.995 1.00 4.63 H new ATOM 727 N ASN A 137 5.962 1.099 2.161 1.00 6.06 N ATOM 728 CA ASN A 137 6.212 2.529 2.022 1.00 6.90 C ATOM 729 C ASN A 137 5.404 3.113 0.868 1.00 6.54 C ATOM 730 O ASN A 137 5.321 2.520 -0.207 1.00 5.95 O ATOM 731 CB ASN A 137 7.702 2.790 1.801 1.00 7.87 C ATOM 732 CG ASN A 137 8.574 1.696 2.384 1.00 8.40 C ATOM 733 OD1 ASN A 137 8.977 1.760 3.544 1.00 8.92 O ATOM 734 ND2 ASN A 137 8.869 0.682 1.578 1.00 8.47 N ATOM 0 H ASN A 137 6.518 0.512 1.540 1.00 6.06 H new ATOM 0 HA ASN A 137 5.899 3.018 2.945 1.00 6.90 H new ATOM 0 HB2 ASN A 137 7.898 2.876 0.732 1.00 7.87 H new ATOM 0 HB3 ASN A 137 7.972 3.745 2.253 1.00 7.87 H new ATOM 0 HD21 ASN A 137 9.452 -0.084 1.915 1.00 8.47 H new ATOM 0 HD22 ASN A 137 8.513 0.670 0.622 1.00 8.47 H new ATOM 741 N LEU A 138 4.808 4.277 1.103 1.00 7.04 N ATOM 742 CA LEU A 138 4.002 4.947 0.087 1.00 6.90 C ATOM 743 C LEU A 138 4.833 5.261 -1.153 1.00 7.16 C ATOM 744 O LEU A 138 4.345 5.171 -2.279 1.00 6.67 O ATOM 745 CB LEU A 138 3.402 6.235 0.653 1.00 7.77 C ATOM 746 CG LEU A 138 2.320 6.037 1.716 1.00 7.75 C ATOM 747 CD1 LEU A 138 2.766 6.624 3.046 1.00 8.95 C ATOM 748 CD2 LEU A 138 1.010 6.667 1.267 1.00 7.32 C ATOM 0 H LEU A 138 4.868 4.777 1.990 1.00 7.04 H new ATOM 0 HA LEU A 138 3.196 4.273 -0.203 1.00 6.90 H new ATOM 0 HB2 LEU A 138 4.206 6.833 1.082 1.00 7.77 H new ATOM 0 HB3 LEU A 138 2.980 6.812 -0.169 1.00 7.77 H new ATOM 0 HG LEU A 138 2.159 4.967 1.849 1.00 7.75 H new ATOM 0 HD11 LEU A 138 1.984 6.474 3.790 1.00 8.95 H new ATOM 0 HD12 LEU A 138 3.679 6.128 3.374 1.00 8.95 H new ATOM 0 HD13 LEU A 138 2.955 7.691 2.928 1.00 8.95 H new ATOM 0 HD21 LEU A 138 0.252 6.516 2.035 1.00 7.32 H new ATOM 0 HD22 LEU A 138 1.156 7.735 1.106 1.00 7.32 H new ATOM 0 HD23 LEU A 138 0.682 6.201 0.338 1.00 7.32 H new ATOM 760 N SER A 139 6.093 5.632 -0.937 1.00 8.07 N ATOM 761 CA SER A 139 6.993 5.963 -2.038 1.00 8.59 C ATOM 762 C SER A 139 7.315 4.727 -2.870 1.00 8.04 C ATOM 763 O SER A 139 7.830 4.834 -3.985 1.00 8.40 O ATOM 764 CB SER A 139 8.284 6.582 -1.497 1.00 9.76 C ATOM 765 OG SER A 139 9.400 6.210 -2.286 1.00 10.26 O ATOM 0 H SER A 139 6.513 5.711 -0.011 1.00 8.07 H new ATOM 0 HA SER A 139 6.492 6.687 -2.680 1.00 8.59 H new ATOM 0 HB2 SER A 139 8.191 7.668 -1.482 1.00 9.76 H new ATOM 0 HB3 SER A 139 8.440 6.261 -0.467 1.00 9.76 H new ATOM 0 HG SER A 139 9.099 5.975 -3.189 1.00 10.26 H new ATOM 771 N ASP A 140 7.007 3.555 -2.325 1.00 7.28 N ATOM 772 CA ASP A 140 7.263 2.297 -3.018 1.00 6.90 C ATOM 773 C ASP A 140 5.972 1.723 -3.595 1.00 5.82 C ATOM 774 O ASP A 140 5.952 0.602 -4.104 1.00 5.53 O ATOM 775 CB ASP A 140 7.901 1.285 -2.065 1.00 6.97 C ATOM 776 CG ASP A 140 9.378 1.553 -1.840 1.00 7.80 C ATOM 777 OD1 ASP A 140 9.746 2.731 -1.654 1.00 8.12 O ATOM 778 OD2 ASP A 140 10.164 0.582 -1.849 1.00 8.30 O ATOM 0 H ASP A 140 6.579 3.450 -1.405 1.00 7.28 H new ATOM 0 HA ASP A 140 7.952 2.497 -3.839 1.00 6.90 H new ATOM 0 HB2 ASP A 140 7.380 1.313 -1.108 1.00 6.97 H new ATOM 0 HB3 ASP A 140 7.774 0.280 -2.468 1.00 6.97 H new ATOM 783 N LEU A 141 4.896 2.500 -3.511 1.00 5.41 N ATOM 784 CA LEU A 141 3.601 2.069 -4.024 1.00 4.46 C ATOM 785 C LEU A 141 3.537 2.218 -5.542 1.00 4.72 C ATOM 786 O LEU A 141 4.049 3.188 -6.102 1.00 5.47 O ATOM 787 CB LEU A 141 2.475 2.878 -3.376 1.00 4.23 C ATOM 788 CG LEU A 141 2.150 2.501 -1.928 1.00 3.96 C ATOM 789 CD1 LEU A 141 1.115 3.454 -1.350 1.00 4.31 C ATOM 790 CD2 LEU A 141 1.654 1.063 -1.847 1.00 3.01 C ATOM 0 H LEU A 141 4.896 3.430 -3.093 1.00 5.41 H new ATOM 0 HA LEU A 141 3.475 1.016 -3.774 1.00 4.46 H new ATOM 0 HB2 LEU A 141 2.743 3.934 -3.408 1.00 4.23 H new ATOM 0 HB3 LEU A 141 1.573 2.760 -3.976 1.00 4.23 H new ATOM 0 HG LEU A 141 3.063 2.583 -1.338 1.00 3.96 H new ATOM 0 HD11 LEU A 141 0.895 3.172 -0.320 1.00 4.31 H new ATOM 0 HD12 LEU A 141 1.505 4.472 -1.372 1.00 4.31 H new ATOM 0 HD13 LEU A 141 0.202 3.403 -1.943 1.00 4.31 H new ATOM 0 HD21 LEU A 141 1.428 0.814 -0.810 1.00 3.01 H new ATOM 0 HD22 LEU A 141 0.753 0.954 -2.451 1.00 3.01 H new ATOM 0 HD23 LEU A 141 2.425 0.390 -2.222 1.00 3.01 H new ATOM 802 N LEU A 142 2.902 1.252 -6.198 1.00 4.30 N ATOM 803 CA LEU A 142 2.766 1.274 -7.650 1.00 4.79 C ATOM 804 C LEU A 142 1.322 1.560 -8.052 1.00 4.37 C ATOM 805 O LEU A 142 0.388 1.248 -7.312 1.00 3.72 O ATOM 806 CB LEU A 142 3.219 -0.061 -8.247 1.00 5.32 C ATOM 807 CG LEU A 142 4.705 -0.375 -8.077 1.00 5.88 C ATOM 808 CD1 LEU A 142 4.912 -1.865 -7.840 1.00 6.01 C ATOM 809 CD2 LEU A 142 5.490 0.087 -9.297 1.00 6.92 C ATOM 0 H LEU A 142 2.473 0.444 -5.747 1.00 4.30 H new ATOM 0 HA LEU A 142 3.400 2.070 -8.039 1.00 4.79 H new ATOM 0 HB2 LEU A 142 2.639 -0.862 -7.788 1.00 5.32 H new ATOM 0 HB3 LEU A 142 2.982 -0.065 -9.311 1.00 5.32 H new ATOM 0 HG LEU A 142 5.074 0.166 -7.206 1.00 5.88 H new ATOM 0 HD11 LEU A 142 5.976 -2.070 -7.721 1.00 6.01 H new ATOM 0 HD12 LEU A 142 4.381 -2.167 -6.937 1.00 6.01 H new ATOM 0 HD13 LEU A 142 4.527 -2.426 -8.692 1.00 6.01 H new ATOM 0 HD21 LEU A 142 6.546 -0.144 -9.159 1.00 6.92 H new ATOM 0 HD22 LEU A 142 5.119 -0.426 -10.184 1.00 6.92 H new ATOM 0 HD23 LEU A 142 5.368 1.163 -9.422 1.00 6.92 H new ATOM 821 N SER A 143 1.145 2.158 -9.226 1.00 4.93 N ATOM 822 CA SER A 143 -0.185 2.488 -9.724 1.00 4.89 C ATOM 823 C SER A 143 -0.874 1.258 -10.314 1.00 5.19 C ATOM 824 O SER A 143 -0.214 0.361 -10.838 1.00 5.64 O ATOM 825 CB SER A 143 -0.101 3.591 -10.780 1.00 5.50 C ATOM 826 OG SER A 143 1.245 3.962 -11.025 1.00 6.07 O ATOM 0 H SER A 143 1.907 2.424 -9.850 1.00 4.93 H new ATOM 0 HA SER A 143 -0.777 2.844 -8.881 1.00 4.89 H new ATOM 0 HB2 SER A 143 -0.561 3.247 -11.706 1.00 5.50 H new ATOM 0 HB3 SER A 143 -0.666 4.461 -10.447 1.00 5.50 H new ATOM 0 HG SER A 143 1.271 4.667 -11.705 1.00 6.07 H new ATOM 832 N PRO A 144 -2.217 1.201 -10.237 1.00 5.25 N ATOM 833 CA PRO A 144 -2.992 0.076 -10.766 1.00 5.91 C ATOM 834 C PRO A 144 -3.089 0.106 -12.287 1.00 6.73 C ATOM 835 O PRO A 144 -3.327 1.157 -12.882 1.00 7.04 O ATOM 836 CB PRO A 144 -4.371 0.279 -10.141 1.00 6.05 C ATOM 837 CG PRO A 144 -4.477 1.753 -9.952 1.00 5.71 C ATOM 838 CD PRO A 144 -3.086 2.230 -9.628 1.00 5.04 C ATOM 0 HA PRO A 144 -2.535 -0.885 -10.528 1.00 5.91 H new ATOM 0 HB2 PRO A 144 -5.161 -0.096 -10.791 1.00 6.05 H new ATOM 0 HB3 PRO A 144 -4.460 -0.251 -9.193 1.00 6.05 H new ATOM 0 HG2 PRO A 144 -4.855 2.236 -10.853 1.00 5.71 H new ATOM 0 HG3 PRO A 144 -5.170 1.994 -9.146 1.00 5.71 H new ATOM 0 HD2 PRO A 144 -2.893 3.218 -10.047 1.00 5.04 H new ATOM 0 HD3 PRO A 144 -2.927 2.304 -8.552 1.00 5.04 H new ATOM 846 N ILE A 145 -2.908 -1.052 -12.911 1.00 7.30 N ATOM 847 CA ILE A 145 -2.978 -1.157 -14.364 1.00 8.19 C ATOM 848 C ILE A 145 -3.550 -2.503 -14.790 1.00 8.35 C ATOM 849 O ILE A 145 -2.809 -3.459 -15.028 1.00 8.81 O ATOM 850 CB ILE A 145 -1.593 -0.967 -15.017 1.00 8.86 C ATOM 851 CG1 ILE A 145 -0.478 -1.215 -13.998 1.00 9.14 C ATOM 852 CG2 ILE A 145 -1.477 0.430 -15.609 1.00 9.47 C ATOM 853 CD1 ILE A 145 0.890 -1.382 -14.626 1.00 9.94 C ATOM 0 H ILE A 145 -2.712 -1.932 -12.434 1.00 7.30 H new ATOM 0 HA ILE A 145 -3.639 -0.359 -14.704 1.00 8.19 H new ATOM 0 HB ILE A 145 -1.486 -1.695 -15.822 1.00 8.86 H new ATOM 0 HG12 ILE A 145 -0.447 -0.382 -13.296 1.00 9.14 H new ATOM 0 HG13 ILE A 145 -0.716 -2.109 -13.422 1.00 9.14 H new ATOM 0 HG21 ILE A 145 -0.495 0.551 -16.067 1.00 9.47 H new ATOM 0 HG22 ILE A 145 -2.249 0.570 -16.365 1.00 9.47 H new ATOM 0 HG23 ILE A 145 -1.603 1.171 -14.820 1.00 9.47 H new ATOM 0 HD11 ILE A 145 1.630 -1.554 -13.845 1.00 9.94 H new ATOM 0 HD12 ILE A 145 0.876 -2.233 -15.307 1.00 9.94 H new ATOM 0 HD13 ILE A 145 1.149 -0.479 -15.179 1.00 9.94 H new TER 865 ILE A 145