USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 579 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 Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -122:sc= -0.542 (180deg=-3.62!) USER MOD Single : A 93 THR OG1 : rot 180:sc= -1.5! USER MOD Single : A 98 SER OG : rot -92:sc= 0.446 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -4.91! C(o=-4.9!,f=-6.8!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl 173:sc= -1.68 (180deg=-1.82) USER MOD Single : A 122 GLN : amide:sc= -0.399 X(o=-0.4,f=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= -0.0022 USER MOD Single : A 129 THR OG1 : rot 180:sc= -0.0162 USER MOD Single : A 137 MET CE :methyl -119:sc= -0.211 (180deg=-0.349) USER MOD Single : A 138 LYS NZ :NH3+ -143:sc= -0.16 (180deg=-1.45!) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -6.58! C(o=-6.6!,f=-14!) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 TYR OH : rot 180:sc= -0.0366 USER MOD Single : A 157 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 86 58.962 -20.013 0.481 1.00 7.24 N ATOM 2 CA LYS A 86 58.384 -20.451 1.785 1.00 7.10 C ATOM 3 C LYS A 86 56.868 -20.620 1.660 1.00 6.94 C ATOM 4 O LYS A 86 56.299 -20.448 0.601 1.00 7.49 O ATOM 5 CB LYS A 86 58.719 -19.325 2.763 1.00 7.61 C ATOM 6 CG LYS A 86 59.881 -19.755 3.661 1.00 8.01 C ATOM 7 CD LYS A 86 60.011 -18.776 4.830 1.00 8.72 C ATOM 8 CE LYS A 86 61.381 -18.949 5.491 1.00 9.14 C ATOM 9 NZ LYS A 86 61.085 -19.133 6.940 1.00 9.95 N ATOM 0 HA LYS A 86 58.784 -21.410 2.114 1.00 7.10 H new ATOM 0 HB2 LYS A 86 58.985 -18.421 2.215 1.00 7.61 H new ATOM 0 HB3 LYS A 86 57.846 -19.085 3.370 1.00 7.61 H new ATOM 0 HG2 LYS A 86 59.711 -20.765 4.035 1.00 8.01 H new ATOM 0 HG3 LYS A 86 60.808 -19.779 3.088 1.00 8.01 H new ATOM 0 HD2 LYS A 86 59.893 -17.752 4.475 1.00 8.72 H new ATOM 0 HD3 LYS A 86 59.219 -18.955 5.558 1.00 8.72 H new ATOM 0 HE2 LYS A 86 61.911 -19.810 5.083 1.00 9.14 H new ATOM 0 HE3 LYS A 86 62.013 -18.077 5.324 1.00 9.14 H new ATOM 0 HZ1 LYS A 86 61.975 -19.258 7.463 1.00 9.95 H new ATOM 0 HZ2 LYS A 86 60.586 -18.295 7.302 1.00 9.95 H new ATOM 0 HZ3 LYS A 86 60.487 -19.974 7.068 1.00 9.95 H new ATOM 25 N ASP A 87 56.207 -20.955 2.735 1.00 6.50 N ATOM 26 CA ASP A 87 54.727 -21.133 2.676 1.00 6.70 C ATOM 27 C ASP A 87 54.024 -19.970 3.383 1.00 6.03 C ATOM 28 O ASP A 87 52.869 -19.689 3.134 1.00 6.49 O ATOM 29 CB ASP A 87 54.456 -22.449 3.405 1.00 7.25 C ATOM 30 CG ASP A 87 52.990 -22.844 3.215 1.00 7.77 C ATOM 31 OD1 ASP A 87 52.173 -22.415 4.013 1.00 8.12 O ATOM 32 OD2 ASP A 87 52.710 -23.569 2.274 1.00 8.06 O ATOM 0 H ASP A 87 56.627 -21.113 3.651 1.00 6.50 H new ATOM 0 HA ASP A 87 54.354 -21.151 1.652 1.00 6.70 H new ATOM 0 HB2 ASP A 87 55.108 -23.232 3.018 1.00 7.25 H new ATOM 0 HB3 ASP A 87 54.681 -22.342 4.466 1.00 7.25 H new ATOM 37 N ASP A 88 54.711 -19.293 4.262 1.00 5.23 N ATOM 38 CA ASP A 88 54.079 -18.150 4.981 1.00 5.00 C ATOM 39 C ASP A 88 54.623 -16.822 4.447 1.00 4.51 C ATOM 40 O ASP A 88 54.143 -15.760 4.792 1.00 4.82 O ATOM 41 CB ASP A 88 54.469 -18.337 6.448 1.00 5.14 C ATOM 42 CG ASP A 88 54.140 -19.766 6.887 1.00 5.52 C ATOM 43 OD1 ASP A 88 54.848 -20.669 6.474 1.00 5.85 O ATOM 44 OD2 ASP A 88 53.185 -19.932 7.628 1.00 5.82 O ATOM 0 H ASP A 88 55.681 -19.481 4.513 1.00 5.23 H new ATOM 0 HA ASP A 88 52.998 -18.127 4.847 1.00 5.00 H new ATOM 0 HB2 ASP A 88 55.533 -18.141 6.580 1.00 5.14 H new ATOM 0 HB3 ASP A 88 53.933 -17.621 7.072 1.00 5.14 H new ATOM 49 N SER A 89 55.621 -16.873 3.607 1.00 4.24 N ATOM 50 CA SER A 89 56.193 -15.611 3.055 1.00 4.26 C ATOM 51 C SER A 89 56.201 -15.659 1.524 1.00 3.50 C ATOM 52 O SER A 89 56.119 -14.642 0.863 1.00 3.81 O ATOM 53 CB SER A 89 57.621 -15.555 3.595 1.00 5.08 C ATOM 54 OG SER A 89 57.627 -14.852 4.831 1.00 5.76 O ATOM 0 H SER A 89 56.064 -17.731 3.280 1.00 4.24 H new ATOM 0 HA SER A 89 55.613 -14.734 3.343 1.00 4.26 H new ATOM 0 HB2 SER A 89 58.009 -16.564 3.735 1.00 5.08 H new ATOM 0 HB3 SER A 89 58.274 -15.059 2.878 1.00 5.08 H new ATOM 0 HG SER A 89 58.541 -14.815 5.182 1.00 5.76 H new ATOM 60 N LYS A 90 56.299 -16.829 0.956 1.00 3.10 N ATOM 61 CA LYS A 90 56.313 -16.937 -0.531 1.00 3.08 C ATOM 62 C LYS A 90 57.230 -15.869 -1.130 1.00 2.72 C ATOM 63 O LYS A 90 56.780 -14.858 -1.630 1.00 3.21 O ATOM 64 CB LYS A 90 54.863 -16.702 -0.957 1.00 3.94 C ATOM 65 CG LYS A 90 53.978 -17.812 -0.389 1.00 4.74 C ATOM 66 CD LYS A 90 52.601 -17.760 -1.053 1.00 5.61 C ATOM 67 CE LYS A 90 52.623 -18.592 -2.338 1.00 6.53 C ATOM 68 NZ LYS A 90 51.335 -19.340 -2.332 1.00 7.32 N ATOM 0 H LYS A 90 56.370 -17.715 1.456 1.00 3.10 H new ATOM 0 HA LYS A 90 56.687 -17.902 -0.873 1.00 3.08 H new ATOM 0 HB2 LYS A 90 54.521 -15.731 -0.600 1.00 3.94 H new ATOM 0 HB3 LYS A 90 54.790 -16.685 -2.044 1.00 3.94 H new ATOM 0 HG2 LYS A 90 54.440 -18.784 -0.562 1.00 4.74 H new ATOM 0 HG3 LYS A 90 53.877 -17.695 0.690 1.00 4.74 H new ATOM 0 HD2 LYS A 90 51.842 -18.144 -0.371 1.00 5.61 H new ATOM 0 HD3 LYS A 90 52.333 -16.728 -1.280 1.00 5.61 H new ATOM 0 HE2 LYS A 90 52.706 -17.956 -3.219 1.00 6.53 H new ATOM 0 HE3 LYS A 90 53.475 -19.272 -2.354 1.00 6.53 H new ATOM 0 HZ1 LYS A 90 51.275 -19.935 -3.183 1.00 7.32 H new ATOM 0 HZ2 LYS A 90 51.287 -19.942 -1.485 1.00 7.32 H new ATOM 0 HZ3 LYS A 90 50.543 -18.667 -2.324 1.00 7.32 H new ATOM 82 N GLY A 91 58.517 -16.085 -1.080 1.00 2.57 N ATOM 83 CA GLY A 91 59.463 -15.082 -1.644 1.00 2.96 C ATOM 84 C GLY A 91 59.807 -14.047 -0.572 1.00 2.68 C ATOM 85 O GLY A 91 58.936 -13.448 0.027 1.00 2.94 O ATOM 0 H GLY A 91 58.953 -16.912 -0.673 1.00 2.57 H new ATOM 0 HA2 GLY A 91 60.370 -15.577 -1.991 1.00 2.96 H new ATOM 0 HA3 GLY A 91 59.017 -14.591 -2.509 1.00 2.96 H new ATOM 89 N LYS A 92 61.071 -13.832 -0.323 1.00 2.54 N ATOM 90 CA LYS A 92 61.465 -12.835 0.712 1.00 2.34 C ATOM 91 C LYS A 92 62.982 -12.618 0.688 1.00 2.22 C ATOM 92 O LYS A 92 63.629 -12.801 -0.322 1.00 2.57 O ATOM 93 CB LYS A 92 61.032 -13.456 2.040 1.00 2.51 C ATOM 94 CG LYS A 92 60.017 -12.541 2.728 1.00 2.46 C ATOM 95 CD LYS A 92 60.756 -11.441 3.494 1.00 2.69 C ATOM 96 CE LYS A 92 61.067 -10.279 2.548 1.00 2.82 C ATOM 97 NZ LYS A 92 61.578 -9.192 3.430 1.00 3.39 N ATOM 0 H LYS A 92 61.846 -14.303 -0.791 1.00 2.54 H new ATOM 0 HA LYS A 92 61.004 -11.861 0.547 1.00 2.34 H new ATOM 0 HB2 LYS A 92 60.593 -14.438 1.867 1.00 2.51 H new ATOM 0 HB3 LYS A 92 61.899 -13.603 2.684 1.00 2.51 H new ATOM 0 HG2 LYS A 92 59.351 -12.098 1.988 1.00 2.46 H new ATOM 0 HG3 LYS A 92 59.395 -13.119 3.411 1.00 2.46 H new ATOM 0 HD2 LYS A 92 60.147 -11.092 4.328 1.00 2.69 H new ATOM 0 HD3 LYS A 92 61.679 -11.836 3.918 1.00 2.69 H new ATOM 0 HE2 LYS A 92 61.809 -10.564 1.802 1.00 2.82 H new ATOM 0 HE3 LYS A 92 60.176 -9.962 2.006 1.00 2.82 H new ATOM 0 HZ1 LYS A 92 60.984 -8.346 3.318 1.00 3.39 H new ATOM 0 HZ2 LYS A 92 61.549 -9.506 4.421 1.00 3.39 H new ATOM 0 HZ3 LYS A 92 62.558 -8.964 3.168 1.00 3.39 H new ATOM 111 N THR A 93 63.551 -12.231 1.798 1.00 1.93 N ATOM 112 CA THR A 93 65.023 -12.000 1.852 1.00 1.88 C ATOM 113 C THR A 93 65.462 -11.068 0.720 1.00 1.62 C ATOM 114 O THR A 93 64.663 -10.615 -0.073 1.00 1.47 O ATOM 115 CB THR A 93 65.667 -13.382 1.699 1.00 1.99 C ATOM 116 OG1 THR A 93 64.665 -14.359 1.451 1.00 2.05 O ATOM 117 CG2 THR A 93 66.415 -13.736 2.985 1.00 2.53 C ATOM 0 H THR A 93 63.056 -12.064 2.674 1.00 1.93 H new ATOM 0 HA THR A 93 65.322 -11.523 2.785 1.00 1.88 H new ATOM 0 HB THR A 93 66.363 -13.363 0.860 1.00 1.99 H new ATOM 0 HG1 THR A 93 65.084 -15.239 1.353 1.00 2.05 H new ATOM 0 HG21 THR A 93 66.875 -14.719 2.880 1.00 2.53 H new ATOM 0 HG22 THR A 93 67.189 -12.992 3.172 1.00 2.53 H new ATOM 0 HG23 THR A 93 65.715 -13.750 3.821 1.00 2.53 H new ATOM 125 N GLU A 94 66.731 -10.775 0.649 1.00 1.64 N ATOM 126 CA GLU A 94 67.234 -9.868 -0.423 1.00 1.49 C ATOM 127 C GLU A 94 66.719 -10.320 -1.792 1.00 1.41 C ATOM 128 O GLU A 94 66.678 -9.553 -2.733 1.00 1.36 O ATOM 129 CB GLU A 94 68.757 -9.986 -0.357 1.00 1.64 C ATOM 130 CG GLU A 94 69.264 -9.319 0.922 1.00 1.85 C ATOM 131 CD GLU A 94 70.266 -10.241 1.620 1.00 2.27 C ATOM 132 OE1 GLU A 94 71.395 -10.311 1.163 1.00 2.65 O ATOM 133 OE2 GLU A 94 69.886 -10.863 2.599 1.00 2.83 O ATOM 0 H GLU A 94 67.444 -11.125 1.289 1.00 1.64 H new ATOM 0 HA GLU A 94 66.896 -8.841 -0.284 1.00 1.49 H new ATOM 0 HB2 GLU A 94 69.052 -11.035 -0.375 1.00 1.64 H new ATOM 0 HB3 GLU A 94 69.207 -9.513 -1.230 1.00 1.64 H new ATOM 0 HG2 GLU A 94 69.736 -8.366 0.684 1.00 1.85 H new ATOM 0 HG3 GLU A 94 68.428 -9.103 1.588 1.00 1.85 H new ATOM 140 N GLU A 95 66.327 -11.559 -1.913 1.00 1.47 N ATOM 141 CA GLU A 95 65.819 -12.054 -3.223 1.00 1.49 C ATOM 142 C GLU A 95 64.576 -11.264 -3.645 1.00 1.39 C ATOM 143 O GLU A 95 64.439 -10.865 -4.784 1.00 1.40 O ATOM 144 CB GLU A 95 65.465 -13.521 -2.980 1.00 1.68 C ATOM 145 CG GLU A 95 65.309 -14.237 -4.324 1.00 2.03 C ATOM 146 CD GLU A 95 66.293 -15.405 -4.397 1.00 2.24 C ATOM 147 OE1 GLU A 95 67.439 -15.169 -4.742 1.00 2.72 O ATOM 148 OE2 GLU A 95 65.885 -16.518 -4.105 1.00 2.56 O ATOM 0 H GLU A 95 66.337 -12.249 -1.162 1.00 1.47 H new ATOM 0 HA GLU A 95 66.553 -11.937 -4.021 1.00 1.49 H new ATOM 0 HB2 GLU A 95 66.244 -14.001 -2.388 1.00 1.68 H new ATOM 0 HB3 GLU A 95 64.540 -13.593 -2.408 1.00 1.68 H new ATOM 0 HG2 GLU A 95 64.288 -14.600 -4.438 1.00 2.03 H new ATOM 0 HG3 GLU A 95 65.493 -13.541 -5.142 1.00 2.03 H new ATOM 155 N GLU A 96 63.668 -11.035 -2.735 1.00 1.38 N ATOM 156 CA GLU A 96 62.435 -10.273 -3.087 1.00 1.34 C ATOM 157 C GLU A 96 62.647 -8.777 -2.842 1.00 1.16 C ATOM 158 O GLU A 96 62.062 -7.942 -3.501 1.00 1.07 O ATOM 159 CB GLU A 96 61.351 -10.820 -2.158 1.00 1.51 C ATOM 160 CG GLU A 96 60.252 -11.486 -2.990 1.00 2.07 C ATOM 161 CD GLU A 96 59.525 -10.426 -3.820 1.00 2.19 C ATOM 162 OE1 GLU A 96 59.809 -9.254 -3.629 1.00 2.61 O ATOM 163 OE2 GLU A 96 58.698 -10.804 -4.633 1.00 2.60 O ATOM 0 H GLU A 96 63.726 -11.342 -1.764 1.00 1.38 H new ATOM 0 HA GLU A 96 62.167 -10.387 -4.137 1.00 1.34 H new ATOM 0 HB2 GLU A 96 61.783 -11.540 -1.463 1.00 1.51 H new ATOM 0 HB3 GLU A 96 60.929 -10.013 -1.559 1.00 1.51 H new ATOM 0 HG2 GLU A 96 60.685 -12.242 -3.645 1.00 2.07 H new ATOM 0 HG3 GLU A 96 59.546 -11.998 -2.336 1.00 2.07 H new ATOM 170 N LEU A 97 63.477 -8.433 -1.896 1.00 1.14 N ATOM 171 CA LEU A 97 63.724 -6.992 -1.606 1.00 0.99 C ATOM 172 C LEU A 97 64.342 -6.301 -2.825 1.00 0.82 C ATOM 173 O LEU A 97 63.866 -5.280 -3.281 1.00 0.70 O ATOM 174 CB LEU A 97 64.705 -6.991 -0.434 1.00 1.03 C ATOM 175 CG LEU A 97 64.028 -7.590 0.800 1.00 1.31 C ATOM 176 CD1 LEU A 97 64.902 -7.350 2.031 1.00 1.57 C ATOM 177 CD2 LEU A 97 62.665 -6.926 1.006 1.00 1.71 C ATOM 0 H LEU A 97 63.995 -9.088 -1.311 1.00 1.14 H new ATOM 0 HA LEU A 97 62.805 -6.454 -1.372 1.00 0.99 H new ATOM 0 HB2 LEU A 97 65.594 -7.568 -0.690 1.00 1.03 H new ATOM 0 HB3 LEU A 97 65.035 -5.974 -0.223 1.00 1.03 H new ATOM 0 HG LEU A 97 63.893 -8.662 0.655 1.00 1.31 H new ATOM 0 HD11 LEU A 97 64.418 -7.777 2.909 1.00 1.57 H new ATOM 0 HD12 LEU A 97 65.873 -7.823 1.885 1.00 1.57 H new ATOM 0 HD13 LEU A 97 65.038 -6.278 2.177 1.00 1.57 H new ATOM 0 HD21 LEU A 97 62.182 -7.352 1.885 1.00 1.71 H new ATOM 0 HD22 LEU A 97 62.801 -5.854 1.150 1.00 1.71 H new ATOM 0 HD23 LEU A 97 62.040 -7.098 0.129 1.00 1.71 H new ATOM 189 N SER A 98 65.402 -6.848 -3.356 1.00 0.87 N ATOM 190 CA SER A 98 66.053 -6.223 -4.544 1.00 0.78 C ATOM 191 C SER A 98 65.011 -5.922 -5.626 1.00 0.75 C ATOM 192 O SER A 98 64.879 -4.802 -6.078 1.00 0.74 O ATOM 193 CB SER A 98 67.056 -7.264 -5.038 1.00 0.93 C ATOM 194 OG SER A 98 66.367 -8.462 -5.368 1.00 1.41 O ATOM 0 H SER A 98 65.846 -7.702 -3.018 1.00 0.87 H new ATOM 0 HA SER A 98 66.535 -5.276 -4.300 1.00 0.78 H new ATOM 0 HB2 SER A 98 67.590 -6.886 -5.910 1.00 0.93 H new ATOM 0 HB3 SER A 98 67.802 -7.461 -4.268 1.00 0.93 H new ATOM 0 HG SER A 98 66.348 -9.054 -4.587 1.00 1.41 H new ATOM 200 N ASP A 99 64.269 -6.912 -6.043 1.00 0.80 N ATOM 201 CA ASP A 99 63.239 -6.678 -7.096 1.00 0.82 C ATOM 202 C ASP A 99 62.219 -5.644 -6.614 1.00 0.77 C ATOM 203 O ASP A 99 61.707 -4.856 -7.385 1.00 0.77 O ATOM 204 CB ASP A 99 62.570 -8.038 -7.305 1.00 0.93 C ATOM 205 CG ASP A 99 63.563 -9.000 -7.958 1.00 1.45 C ATOM 206 OD1 ASP A 99 63.848 -8.820 -9.131 1.00 1.92 O ATOM 207 OD2 ASP A 99 64.023 -9.901 -7.275 1.00 2.18 O ATOM 0 H ASP A 99 64.331 -7.871 -5.701 1.00 0.80 H new ATOM 0 HA ASP A 99 63.670 -6.292 -8.019 1.00 0.82 H new ATOM 0 HB2 ASP A 99 62.233 -8.440 -6.350 1.00 0.93 H new ATOM 0 HB3 ASP A 99 61.687 -7.928 -7.934 1.00 0.93 H new ATOM 212 N LEU A 100 61.924 -5.636 -5.344 1.00 0.77 N ATOM 213 CA LEU A 100 60.941 -4.650 -4.813 1.00 0.77 C ATOM 214 C LEU A 100 61.454 -3.226 -5.045 1.00 0.64 C ATOM 215 O LEU A 100 60.697 -2.320 -5.328 1.00 0.64 O ATOM 216 CB LEU A 100 60.847 -4.949 -3.317 1.00 0.85 C ATOM 217 CG LEU A 100 59.380 -4.943 -2.886 1.00 1.16 C ATOM 218 CD1 LEU A 100 59.111 -6.138 -1.970 1.00 1.54 C ATOM 219 CD2 LEU A 100 59.077 -3.646 -2.132 1.00 1.57 C ATOM 0 H LEU A 100 62.321 -6.270 -4.650 1.00 0.77 H new ATOM 0 HA LEU A 100 59.970 -4.726 -5.303 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.297 -5.918 -3.100 1.00 0.85 H new ATOM 0 HB3 LEU A 100 61.406 -4.204 -2.751 1.00 0.85 H new ATOM 0 HG LEU A 100 58.742 -5.011 -3.767 1.00 1.16 H new ATOM 0 HD11 LEU A 100 58.065 -6.133 -1.663 1.00 1.54 H new ATOM 0 HD12 LEU A 100 59.328 -7.063 -2.505 1.00 1.54 H new ATOM 0 HD13 LEU A 100 59.748 -6.071 -1.088 1.00 1.54 H new ATOM 0 HD21 LEU A 100 58.031 -3.640 -1.824 1.00 1.57 H new ATOM 0 HD22 LEU A 100 59.715 -3.580 -1.251 1.00 1.57 H new ATOM 0 HD23 LEU A 100 59.268 -2.793 -2.783 1.00 1.57 H new ATOM 231 N PHE A 101 62.738 -3.028 -4.930 1.00 0.60 N ATOM 232 CA PHE A 101 63.311 -1.669 -5.146 1.00 0.53 C ATOM 233 C PHE A 101 63.113 -1.238 -6.602 1.00 0.49 C ATOM 234 O PHE A 101 62.566 -0.189 -6.882 1.00 0.61 O ATOM 235 CB PHE A 101 64.800 -1.820 -4.825 1.00 0.57 C ATOM 236 CG PHE A 101 65.490 -0.471 -4.851 1.00 0.46 C ATOM 237 CD1 PHE A 101 64.766 0.696 -5.134 1.00 1.31 C ATOM 238 CD2 PHE A 101 66.864 -0.393 -4.592 1.00 1.23 C ATOM 239 CE1 PHE A 101 65.417 1.935 -5.156 1.00 1.30 C ATOM 240 CE2 PHE A 101 67.512 0.845 -4.612 1.00 1.23 C ATOM 241 CZ PHE A 101 66.790 2.009 -4.895 1.00 0.40 C ATOM 0 H PHE A 101 63.418 -3.751 -4.695 1.00 0.60 H new ATOM 0 HA PHE A 101 62.833 -0.911 -4.526 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.921 -2.278 -3.843 1.00 0.57 H new ATOM 0 HB3 PHE A 101 65.268 -2.488 -5.548 1.00 0.57 H new ATOM 0 HD1 PHE A 101 63.706 0.639 -5.335 1.00 1.31 H new ATOM 0 HD2 PHE A 101 67.424 -1.291 -4.376 1.00 1.23 H new ATOM 0 HE1 PHE A 101 64.860 2.834 -5.374 1.00 1.30 H new ATOM 0 HE2 PHE A 101 68.571 0.903 -4.409 1.00 1.23 H new ATOM 0 HZ PHE A 101 67.292 2.965 -4.912 1.00 0.40 H new ATOM 251 N ARG A 102 63.553 -2.041 -7.532 1.00 0.53 N ATOM 252 CA ARG A 102 63.390 -1.677 -8.970 1.00 0.70 C ATOM 253 C ARG A 102 61.946 -1.918 -9.421 1.00 0.80 C ATOM 254 O ARG A 102 61.572 -1.595 -10.530 1.00 1.09 O ATOM 255 CB ARG A 102 64.347 -2.601 -9.724 1.00 0.87 C ATOM 256 CG ARG A 102 65.271 -1.765 -10.611 1.00 1.28 C ATOM 257 CD ARG A 102 66.017 -2.683 -11.583 1.00 1.83 C ATOM 258 NE ARG A 102 67.067 -3.344 -10.760 1.00 2.26 N ATOM 259 CZ ARG A 102 67.932 -2.623 -10.101 1.00 2.89 C ATOM 260 NH1 ARG A 102 68.180 -1.397 -10.477 1.00 3.68 N ATOM 261 NH2 ARG A 102 68.549 -3.126 -9.067 1.00 3.22 N ATOM 0 H ARG A 102 64.018 -2.932 -7.360 1.00 0.53 H new ATOM 0 HA ARG A 102 63.607 -0.625 -9.154 1.00 0.70 H new ATOM 0 HB2 ARG A 102 64.935 -3.187 -9.018 1.00 0.87 H new ATOM 0 HB3 ARG A 102 63.783 -3.308 -10.333 1.00 0.87 H new ATOM 0 HG2 ARG A 102 64.691 -1.027 -11.165 1.00 1.28 H new ATOM 0 HG3 ARG A 102 65.983 -1.215 -9.996 1.00 1.28 H new ATOM 0 HD2 ARG A 102 65.345 -3.416 -12.028 1.00 1.83 H new ATOM 0 HD3 ARG A 102 66.457 -2.115 -12.403 1.00 1.83 H new ATOM 0 HE ARG A 102 67.110 -4.362 -10.711 1.00 2.26 H new ATOM 0 HH11 ARG A 102 67.698 -1.004 -11.285 1.00 3.68 H new ATOM 0 HH12 ARG A 102 68.856 -0.833 -9.962 1.00 3.68 H new ATOM 0 HH21 ARG A 102 68.355 -4.083 -8.773 1.00 3.22 H new ATOM 0 HH22 ARG A 102 69.225 -2.562 -8.552 1.00 3.22 H new ATOM 275 N MET A 103 61.131 -2.488 -8.573 1.00 0.68 N ATOM 276 CA MET A 103 59.715 -2.749 -8.965 1.00 0.81 C ATOM 277 C MET A 103 58.780 -1.710 -8.338 1.00 0.79 C ATOM 278 O MET A 103 57.625 -1.604 -8.703 1.00 0.90 O ATOM 279 CB MET A 103 59.407 -4.144 -8.420 1.00 0.91 C ATOM 280 CG MET A 103 57.951 -4.503 -8.727 1.00 1.35 C ATOM 281 SD MET A 103 57.828 -6.272 -9.090 1.00 1.92 S ATOM 282 CE MET A 103 57.880 -6.858 -7.378 1.00 1.63 C ATOM 0 H MET A 103 61.383 -2.783 -7.630 1.00 0.68 H new ATOM 0 HA MET A 103 59.571 -2.687 -10.044 1.00 0.81 H new ATOM 0 HB2 MET A 103 60.076 -4.878 -8.870 1.00 0.91 H new ATOM 0 HB3 MET A 103 59.580 -4.172 -7.344 1.00 0.91 H new ATOM 0 HG2 MET A 103 57.316 -4.250 -7.878 1.00 1.35 H new ATOM 0 HG3 MET A 103 57.593 -3.921 -9.576 1.00 1.35 H new ATOM 0 HE1 MET A 103 57.816 -7.946 -7.364 1.00 1.63 H new ATOM 0 HE2 MET A 103 58.815 -6.543 -6.914 1.00 1.63 H new ATOM 0 HE3 MET A 103 57.040 -6.438 -6.824 1.00 1.63 H new ATOM 292 N PHE A 104 59.262 -0.942 -7.399 1.00 0.71 N ATOM 293 CA PHE A 104 58.388 0.085 -6.759 1.00 0.75 C ATOM 294 C PHE A 104 58.905 1.493 -7.073 1.00 0.68 C ATOM 295 O PHE A 104 58.185 2.465 -6.962 1.00 0.80 O ATOM 296 CB PHE A 104 58.471 -0.194 -5.258 1.00 0.76 C ATOM 297 CG PHE A 104 57.318 -1.080 -4.847 1.00 1.03 C ATOM 298 CD1 PHE A 104 56.083 -0.512 -4.504 1.00 1.67 C ATOM 299 CD2 PHE A 104 57.481 -2.470 -4.809 1.00 1.71 C ATOM 300 CE1 PHE A 104 55.016 -1.333 -4.125 1.00 1.90 C ATOM 301 CE2 PHE A 104 56.412 -3.292 -4.429 1.00 2.03 C ATOM 302 CZ PHE A 104 55.180 -2.723 -4.087 1.00 1.76 C ATOM 0 H PHE A 104 60.219 -0.980 -7.048 1.00 0.71 H new ATOM 0 HA PHE A 104 57.362 0.034 -7.124 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.418 -0.677 -5.019 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.441 0.742 -4.701 1.00 0.76 H new ATOM 0 HD1 PHE A 104 55.955 0.560 -4.532 1.00 1.67 H new ATOM 0 HD2 PHE A 104 58.432 -2.909 -5.073 1.00 1.71 H new ATOM 0 HE1 PHE A 104 54.065 -0.894 -3.861 1.00 1.90 H new ATOM 0 HE2 PHE A 104 56.539 -4.364 -4.400 1.00 2.03 H new ATOM 0 HZ PHE A 104 54.356 -3.356 -3.794 1.00 1.76 H new ATOM 312 N ASP A 105 60.145 1.611 -7.465 1.00 0.58 N ATOM 313 CA ASP A 105 60.699 2.960 -7.785 1.00 0.52 C ATOM 314 C ASP A 105 59.745 3.714 -8.714 1.00 0.52 C ATOM 315 O ASP A 105 59.827 3.607 -9.921 1.00 0.60 O ATOM 316 CB ASP A 105 62.029 2.690 -8.490 1.00 0.60 C ATOM 317 CG ASP A 105 62.863 3.974 -8.516 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.459 4.931 -7.875 1.00 0.48 O ATOM 319 OD2 ASP A 105 63.889 3.979 -9.176 1.00 0.54 O ATOM 0 H ASP A 105 60.797 0.835 -7.578 1.00 0.58 H new ATOM 0 HA ASP A 105 60.829 3.573 -6.893 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.574 1.900 -7.972 1.00 0.60 H new ATOM 0 HB3 ASP A 105 61.849 2.340 -9.506 1.00 0.60 H new ATOM 324 N LYS A 106 58.840 4.476 -8.161 1.00 0.51 N ATOM 325 CA LYS A 106 57.885 5.234 -9.019 1.00 0.60 C ATOM 326 C LYS A 106 58.621 6.341 -9.775 1.00 0.59 C ATOM 327 O LYS A 106 58.376 6.577 -10.942 1.00 0.70 O ATOM 328 CB LYS A 106 56.864 5.830 -8.050 1.00 0.63 C ATOM 329 CG LYS A 106 55.754 6.524 -8.843 1.00 1.39 C ATOM 330 CD LYS A 106 54.921 5.474 -9.582 1.00 1.58 C ATOM 331 CE LYS A 106 54.071 4.694 -8.577 1.00 2.00 C ATOM 332 NZ LYS A 106 53.559 3.521 -9.336 1.00 2.79 N ATOM 0 H LYS A 106 58.721 4.606 -7.156 1.00 0.51 H new ATOM 0 HA LYS A 106 57.410 4.600 -9.768 1.00 0.60 H new ATOM 0 HB2 LYS A 106 56.441 5.046 -7.422 1.00 0.63 H new ATOM 0 HB3 LYS A 106 57.351 6.543 -7.385 1.00 0.63 H new ATOM 0 HG2 LYS A 106 55.118 7.101 -8.171 1.00 1.39 H new ATOM 0 HG3 LYS A 106 56.186 7.227 -9.555 1.00 1.39 H new ATOM 0 HD2 LYS A 106 54.279 5.957 -10.319 1.00 1.58 H new ATOM 0 HD3 LYS A 106 55.575 4.793 -10.126 1.00 1.58 H new ATOM 0 HE2 LYS A 106 54.664 4.380 -7.718 1.00 2.00 H new ATOM 0 HE3 LYS A 106 53.253 5.304 -8.194 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 52.966 2.936 -8.713 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 52.993 3.850 -10.144 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 54.360 2.955 -9.682 1.00 2.79 H new ATOM 346 N ASN A 107 59.524 7.021 -9.122 1.00 0.53 N ATOM 347 CA ASN A 107 60.275 8.109 -9.812 1.00 0.59 C ATOM 348 C ASN A 107 61.243 7.506 -10.835 1.00 0.60 C ATOM 349 O ASN A 107 61.620 8.144 -11.798 1.00 0.71 O ATOM 350 CB ASN A 107 61.039 8.830 -8.699 1.00 0.62 C ATOM 351 CG ASN A 107 62.185 9.647 -9.302 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.250 9.737 -8.725 1.00 1.50 O ATOM 353 ND2 ASN A 107 62.010 10.248 -10.447 1.00 1.67 N ATOM 0 H ASN A 107 59.774 6.871 -8.144 1.00 0.53 H new ATOM 0 HA ASN A 107 59.620 8.789 -10.357 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.364 9.485 -8.147 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.433 8.105 -7.987 1.00 0.62 H new ATOM 0 HD21 ASN A 107 62.768 10.794 -10.858 1.00 1.67 H new ATOM 0 HD22 ASN A 107 61.116 10.172 -10.931 1.00 1.67 H new ATOM 360 N ALA A 108 61.643 6.281 -10.635 1.00 0.56 N ATOM 361 CA ALA A 108 62.582 5.634 -11.598 1.00 0.62 C ATOM 362 C ALA A 108 63.867 6.458 -11.725 1.00 0.64 C ATOM 363 O ALA A 108 64.140 7.042 -12.753 1.00 0.78 O ATOM 364 CB ALA A 108 61.829 5.611 -12.929 1.00 0.72 C ATOM 0 H ALA A 108 61.361 5.699 -9.847 1.00 0.56 H new ATOM 0 HA ALA A 108 62.877 4.635 -11.276 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.454 5.149 -13.693 1.00 0.72 H new ATOM 0 HB2 ALA A 108 60.909 5.037 -12.817 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.586 6.631 -13.227 1.00 0.72 H new ATOM 370 N ASP A 109 64.658 6.506 -10.688 1.00 0.57 N ATOM 371 CA ASP A 109 65.924 7.290 -10.757 1.00 0.63 C ATOM 372 C ASP A 109 67.050 6.548 -10.031 1.00 0.63 C ATOM 373 O ASP A 109 68.133 7.068 -9.849 1.00 0.76 O ATOM 374 CB ASP A 109 65.612 8.613 -10.056 1.00 0.62 C ATOM 375 CG ASP A 109 65.483 8.375 -8.552 1.00 0.70 C ATOM 376 OD1 ASP A 109 64.684 7.534 -8.173 1.00 0.75 O ATOM 377 OD2 ASP A 109 66.184 9.037 -7.803 1.00 1.20 O ATOM 0 H ASP A 109 64.483 6.038 -9.799 1.00 0.57 H new ATOM 0 HA ASP A 109 66.258 7.442 -11.783 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.403 9.337 -10.254 1.00 0.62 H new ATOM 0 HB3 ASP A 109 64.687 9.036 -10.449 1.00 0.62 H new ATOM 382 N GLY A 110 66.807 5.333 -9.615 1.00 0.58 N ATOM 383 CA GLY A 110 67.868 4.562 -8.907 1.00 0.62 C ATOM 384 C GLY A 110 67.624 4.613 -7.396 1.00 0.54 C ATOM 385 O GLY A 110 68.126 3.796 -6.651 1.00 0.57 O ATOM 0 H GLY A 110 65.921 4.843 -9.735 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.869 3.527 -9.250 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.849 4.976 -9.141 1.00 0.62 H new ATOM 389 N TYR A 111 66.858 5.565 -6.938 1.00 0.50 N ATOM 390 CA TYR A 111 66.583 5.667 -5.474 1.00 0.48 C ATOM 391 C TYR A 111 65.118 6.046 -5.244 1.00 0.42 C ATOM 392 O TYR A 111 64.412 6.402 -6.163 1.00 0.52 O ATOM 393 CB TYR A 111 67.508 6.776 -4.973 1.00 0.52 C ATOM 394 CG TYR A 111 68.908 6.537 -5.488 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.757 5.646 -4.823 1.00 1.36 C ATOM 396 CD2 TYR A 111 69.356 7.210 -6.632 1.00 1.38 C ATOM 397 CE1 TYR A 111 71.055 5.426 -5.301 1.00 1.40 C ATOM 398 CE2 TYR A 111 70.653 6.991 -7.109 1.00 1.46 C ATOM 399 CZ TYR A 111 71.503 6.099 -6.444 1.00 0.83 C ATOM 400 OH TYR A 111 72.782 5.883 -6.914 1.00 0.97 O ATOM 0 H TYR A 111 66.410 6.278 -7.514 1.00 0.50 H new ATOM 0 HA TYR A 111 66.757 4.726 -4.952 1.00 0.48 H new ATOM 0 HB2 TYR A 111 67.146 7.747 -5.311 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.509 6.798 -3.883 1.00 0.52 H new ATOM 0 HD1 TYR A 111 69.411 5.128 -3.941 1.00 1.36 H new ATOM 0 HD2 TYR A 111 68.700 7.898 -7.146 1.00 1.38 H new ATOM 0 HE1 TYR A 111 71.710 4.737 -4.788 1.00 1.40 H new ATOM 0 HE2 TYR A 111 70.999 7.510 -7.991 1.00 1.46 H new ATOM 0 HH TYR A 111 72.932 6.427 -7.715 1.00 0.97 H new ATOM 410 N ILE A 112 64.651 5.977 -4.027 1.00 0.36 N ATOM 411 CA ILE A 112 63.227 6.342 -3.762 1.00 0.32 C ATOM 412 C ILE A 112 63.130 7.359 -2.628 1.00 0.35 C ATOM 413 O ILE A 112 63.947 7.392 -1.730 1.00 0.43 O ATOM 414 CB ILE A 112 62.538 5.046 -3.370 1.00 0.32 C ATOM 415 CG1 ILE A 112 62.899 3.978 -4.413 1.00 0.40 C ATOM 416 CG2 ILE A 112 61.022 5.289 -3.328 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.696 3.085 -4.723 1.00 0.46 C ATOM 0 H ILE A 112 65.188 5.686 -3.210 1.00 0.36 H new ATOM 0 HA ILE A 112 62.764 6.800 -4.636 1.00 0.32 H new ATOM 0 HB ILE A 112 62.861 4.704 -2.386 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.244 4.460 -5.328 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.723 3.368 -4.044 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.513 4.367 -3.048 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.798 6.064 -2.595 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.677 5.609 -4.311 1.00 0.35 H new ATOM 0 HD11 ILE A 112 61.979 2.338 -5.464 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.369 2.586 -3.811 1.00 0.46 H new ATOM 0 HD13 ILE A 112 60.882 3.695 -5.115 1.00 0.46 H new ATOM 429 N ASP A 113 62.126 8.184 -2.664 1.00 0.36 N ATOM 430 CA ASP A 113 61.955 9.205 -1.590 1.00 0.44 C ATOM 431 C ASP A 113 60.701 8.894 -0.768 1.00 0.44 C ATOM 432 O ASP A 113 60.080 7.866 -0.938 1.00 0.60 O ATOM 433 CB ASP A 113 61.806 10.539 -2.323 1.00 0.56 C ATOM 434 CG ASP A 113 60.429 10.611 -2.988 1.00 0.94 C ATOM 435 OD1 ASP A 113 60.039 9.635 -3.607 1.00 1.53 O ATOM 436 OD2 ASP A 113 59.791 11.643 -2.869 1.00 1.58 O ATOM 0 H ASP A 113 61.412 8.198 -3.392 1.00 0.36 H new ATOM 0 HA ASP A 113 62.795 9.221 -0.896 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.926 11.365 -1.622 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.589 10.642 -3.074 1.00 0.56 H new ATOM 441 N LEU A 114 60.327 9.772 0.120 1.00 0.47 N ATOM 442 CA LEU A 114 59.114 9.518 0.951 1.00 0.47 C ATOM 443 C LEU A 114 57.852 9.594 0.086 1.00 0.50 C ATOM 444 O LEU A 114 56.907 8.856 0.285 1.00 0.52 O ATOM 445 CB LEU A 114 59.113 10.629 2.001 1.00 0.57 C ATOM 446 CG LEU A 114 58.575 10.080 3.323 1.00 0.68 C ATOM 447 CD1 LEU A 114 58.594 11.184 4.382 1.00 1.36 C ATOM 448 CD2 LEU A 114 57.138 9.593 3.124 1.00 1.57 C ATOM 0 H LEU A 114 60.806 10.653 0.307 1.00 0.47 H new ATOM 0 HA LEU A 114 59.126 8.528 1.406 1.00 0.47 H new ATOM 0 HB2 LEU A 114 60.123 11.014 2.139 1.00 0.57 H new ATOM 0 HB3 LEU A 114 58.497 11.463 1.663 1.00 0.57 H new ATOM 0 HG LEU A 114 59.201 9.250 3.652 1.00 0.68 H new ATOM 0 HD11 LEU A 114 58.210 10.791 5.324 1.00 1.36 H new ATOM 0 HD12 LEU A 114 59.616 11.534 4.524 1.00 1.36 H new ATOM 0 HD13 LEU A 114 57.969 12.014 4.053 1.00 1.36 H new ATOM 0 HD21 LEU A 114 56.753 9.201 4.065 1.00 1.57 H new ATOM 0 HD22 LEU A 114 56.514 10.424 2.795 1.00 1.57 H new ATOM 0 HD23 LEU A 114 57.122 8.806 2.370 1.00 1.57 H new ATOM 460 N GLU A 115 57.826 10.480 -0.871 1.00 0.56 N ATOM 461 CA GLU A 115 56.622 10.601 -1.744 1.00 0.64 C ATOM 462 C GLU A 115 56.452 9.337 -2.593 1.00 0.56 C ATOM 463 O GLU A 115 55.360 9.001 -3.009 1.00 0.61 O ATOM 464 CB GLU A 115 56.897 11.814 -2.634 1.00 0.77 C ATOM 465 CG GLU A 115 55.789 12.852 -2.441 1.00 1.54 C ATOM 466 CD GLU A 115 56.260 14.208 -2.971 1.00 2.04 C ATOM 467 OE1 GLU A 115 56.109 14.441 -4.159 1.00 2.67 O ATOM 468 OE2 GLU A 115 56.762 14.989 -2.180 1.00 2.45 O ATOM 0 H GLU A 115 58.585 11.126 -1.087 1.00 0.56 H new ATOM 0 HA GLU A 115 55.705 10.719 -1.167 1.00 0.64 H new ATOM 0 HB2 GLU A 115 57.865 12.249 -2.385 1.00 0.77 H new ATOM 0 HB3 GLU A 115 56.945 11.508 -3.679 1.00 0.77 H new ATOM 0 HG2 GLU A 115 54.887 12.538 -2.966 1.00 1.54 H new ATOM 0 HG3 GLU A 115 55.531 12.932 -1.385 1.00 1.54 H new ATOM 475 N GLU A 116 57.520 8.634 -2.854 1.00 0.49 N ATOM 476 CA GLU A 116 57.415 7.392 -3.674 1.00 0.45 C ATOM 477 C GLU A 116 57.062 6.198 -2.784 1.00 0.43 C ATOM 478 O GLU A 116 56.190 5.413 -3.098 1.00 0.51 O ATOM 479 CB GLU A 116 58.800 7.207 -4.297 1.00 0.42 C ATOM 480 CG GLU A 116 58.972 8.188 -5.459 1.00 0.94 C ATOM 481 CD GLU A 116 60.443 8.229 -5.877 1.00 0.85 C ATOM 482 OE1 GLU A 116 61.008 7.170 -6.094 1.00 1.28 O ATOM 483 OE2 GLU A 116 60.980 9.320 -5.974 1.00 1.43 O ATOM 0 H GLU A 116 58.461 8.865 -2.535 1.00 0.49 H new ATOM 0 HA GLU A 116 56.635 7.464 -4.432 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.573 7.376 -3.547 1.00 0.42 H new ATOM 0 HB3 GLU A 116 58.917 6.183 -4.651 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.352 7.883 -6.302 1.00 0.94 H new ATOM 0 HG3 GLU A 116 58.639 9.183 -5.162 1.00 0.94 H new ATOM 490 N LEU A 117 57.730 6.058 -1.671 1.00 0.37 N ATOM 491 CA LEU A 117 57.429 4.918 -0.761 1.00 0.42 C ATOM 492 C LEU A 117 55.970 4.990 -0.310 1.00 0.50 C ATOM 493 O LEU A 117 55.293 3.987 -0.200 1.00 0.58 O ATOM 494 CB LEU A 117 58.372 5.096 0.428 1.00 0.43 C ATOM 495 CG LEU A 117 58.808 3.724 0.946 1.00 0.61 C ATOM 496 CD1 LEU A 117 60.197 3.833 1.577 1.00 0.90 C ATOM 497 CD2 LEU A 117 57.809 3.235 1.997 1.00 1.53 C ATOM 0 H LEU A 117 58.470 6.684 -1.353 1.00 0.37 H new ATOM 0 HA LEU A 117 57.570 3.950 -1.242 1.00 0.42 H new ATOM 0 HB2 LEU A 117 59.244 5.677 0.130 1.00 0.43 H new ATOM 0 HB3 LEU A 117 57.873 5.654 1.221 1.00 0.43 H new ATOM 0 HG LEU A 117 58.840 3.017 0.117 1.00 0.61 H new ATOM 0 HD11 LEU A 117 60.507 2.855 1.946 1.00 0.90 H new ATOM 0 HD12 LEU A 117 60.910 4.182 0.830 1.00 0.90 H new ATOM 0 HD13 LEU A 117 60.166 4.540 2.406 1.00 0.90 H new ATOM 0 HD21 LEU A 117 58.119 2.258 2.367 1.00 1.53 H new ATOM 0 HD22 LEU A 117 57.777 3.943 2.825 1.00 1.53 H new ATOM 0 HD23 LEU A 117 56.819 3.156 1.549 1.00 1.53 H new ATOM 509 N LYS A 118 55.479 6.172 -0.057 1.00 0.52 N ATOM 510 CA LYS A 118 54.062 6.310 0.378 1.00 0.63 C ATOM 511 C LYS A 118 53.155 5.524 -0.571 1.00 0.71 C ATOM 512 O LYS A 118 52.130 5.001 -0.180 1.00 0.83 O ATOM 513 CB LYS A 118 53.764 7.808 0.291 1.00 0.68 C ATOM 514 CG LYS A 118 52.279 8.053 0.560 1.00 1.05 C ATOM 515 CD LYS A 118 52.123 9.205 1.555 1.00 1.33 C ATOM 516 CE LYS A 118 52.917 10.418 1.062 1.00 1.49 C ATOM 517 NZ LYS A 118 51.889 11.384 0.587 1.00 1.82 N ATOM 0 H LYS A 118 55.998 7.047 -0.133 1.00 0.52 H new ATOM 0 HA LYS A 118 53.892 5.924 1.383 1.00 0.63 H new ATOM 0 HB2 LYS A 118 54.370 8.352 1.016 1.00 0.68 H new ATOM 0 HB3 LYS A 118 54.032 8.186 -0.696 1.00 0.68 H new ATOM 0 HG2 LYS A 118 51.764 8.291 -0.371 1.00 1.05 H new ATOM 0 HG3 LYS A 118 51.817 7.150 0.958 1.00 1.05 H new ATOM 0 HD2 LYS A 118 51.070 9.466 1.663 1.00 1.33 H new ATOM 0 HD3 LYS A 118 52.479 8.900 2.539 1.00 1.33 H new ATOM 0 HE2 LYS A 118 53.521 10.846 1.862 1.00 1.49 H new ATOM 0 HE3 LYS A 118 53.601 10.142 0.259 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 52.357 12.243 0.233 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 51.334 10.952 -0.179 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 51.257 11.633 1.374 1.00 1.82 H new ATOM 531 N ILE A 119 53.531 5.432 -1.817 1.00 0.72 N ATOM 532 CA ILE A 119 52.701 4.674 -2.794 1.00 0.84 C ATOM 533 C ILE A 119 52.992 3.177 -2.662 1.00 0.86 C ATOM 534 O ILE A 119 52.117 2.347 -2.812 1.00 0.96 O ATOM 535 CB ILE A 119 53.132 5.192 -4.165 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.454 6.536 -4.430 1.00 1.00 C ATOM 537 CG2 ILE A 119 52.720 4.195 -5.251 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.247 7.304 -5.483 1.00 1.08 C ATOM 0 H ILE A 119 54.379 5.850 -2.201 1.00 0.72 H new ATOM 0 HA ILE A 119 51.631 4.809 -2.633 1.00 0.84 H new ATOM 0 HB ILE A 119 54.215 5.313 -4.181 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.431 6.379 -4.772 1.00 1.00 H new ATOM 0 HG13 ILE A 119 52.396 7.115 -3.508 1.00 1.00 H new ATOM 0 HG21 ILE A 119 53.030 4.570 -6.226 1.00 1.06 H new ATOM 0 HG22 ILE A 119 53.199 3.234 -5.063 1.00 1.06 H new ATOM 0 HG23 ILE A 119 51.637 4.070 -5.238 1.00 1.06 H new ATOM 0 HD11 ILE A 119 52.765 8.263 -5.674 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.262 7.473 -5.123 1.00 1.08 H new ATOM 0 HD13 ILE A 119 53.281 6.725 -6.406 1.00 1.08 H new ATOM 550 N MET A 120 54.217 2.828 -2.376 1.00 0.82 N ATOM 551 CA MET A 120 54.569 1.389 -2.228 1.00 0.92 C ATOM 552 C MET A 120 53.698 0.747 -1.146 1.00 0.92 C ATOM 553 O MET A 120 53.191 -0.346 -1.311 1.00 1.01 O ATOM 554 CB MET A 120 56.040 1.381 -1.812 1.00 0.96 C ATOM 555 CG MET A 120 56.427 -0.016 -1.326 1.00 1.50 C ATOM 556 SD MET A 120 58.043 0.056 -0.514 1.00 2.13 S ATOM 557 CE MET A 120 59.023 0.423 -1.991 1.00 2.73 C ATOM 0 H MET A 120 54.990 3.479 -2.238 1.00 0.82 H new ATOM 0 HA MET A 120 54.406 0.824 -3.146 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.668 1.671 -2.654 1.00 0.96 H new ATOM 0 HB3 MET A 120 56.209 2.112 -1.021 1.00 0.96 H new ATOM 0 HG2 MET A 120 55.676 -0.393 -0.632 1.00 1.50 H new ATOM 0 HG3 MET A 120 56.461 -0.709 -2.167 1.00 1.50 H new ATOM 0 HE1 MET A 120 60.052 0.634 -1.701 1.00 2.73 H new ATOM 0 HE2 MET A 120 59.004 -0.435 -2.663 1.00 2.73 H new ATOM 0 HE3 MET A 120 58.604 1.291 -2.499 1.00 2.73 H new ATOM 567 N LEU A 121 53.511 1.420 -0.044 1.00 0.88 N ATOM 568 CA LEU A 121 52.663 0.850 1.041 1.00 0.96 C ATOM 569 C LEU A 121 51.216 0.759 0.563 1.00 0.99 C ATOM 570 O LEU A 121 50.464 -0.095 0.986 1.00 1.12 O ATOM 571 CB LEU A 121 52.764 1.840 2.192 1.00 0.98 C ATOM 572 CG LEU A 121 54.234 2.070 2.553 1.00 1.19 C ATOM 573 CD1 LEU A 121 54.390 3.447 3.200 1.00 1.51 C ATOM 574 CD2 LEU A 121 54.688 0.990 3.537 1.00 1.81 C ATOM 0 H LEU A 121 53.908 2.339 0.152 1.00 0.88 H new ATOM 0 HA LEU A 121 52.984 -0.150 1.333 1.00 0.96 H new ATOM 0 HB2 LEU A 121 52.297 2.784 1.913 1.00 0.98 H new ATOM 0 HB3 LEU A 121 52.223 1.460 3.059 1.00 0.98 H new ATOM 0 HG LEU A 121 54.844 2.022 1.651 1.00 1.19 H new ATOM 0 HD11 LEU A 121 55.436 3.612 3.457 1.00 1.51 H new ATOM 0 HD12 LEU A 121 54.063 4.217 2.501 1.00 1.51 H new ATOM 0 HD13 LEU A 121 53.782 3.495 4.103 1.00 1.51 H new ATOM 0 HD21 LEU A 121 55.734 1.151 3.796 1.00 1.81 H new ATOM 0 HD22 LEU A 121 54.079 1.041 4.439 1.00 1.81 H new ATOM 0 HD23 LEU A 121 54.575 0.008 3.077 1.00 1.81 H new ATOM 586 N GLN A 122 50.822 1.635 -0.320 1.00 0.95 N ATOM 587 CA GLN A 122 49.428 1.590 -0.833 1.00 1.05 C ATOM 588 C GLN A 122 49.228 0.286 -1.597 1.00 1.12 C ATOM 589 O GLN A 122 48.134 -0.238 -1.685 1.00 1.24 O ATOM 590 CB GLN A 122 49.300 2.794 -1.764 1.00 1.07 C ATOM 591 CG GLN A 122 48.254 3.757 -1.200 1.00 1.49 C ATOM 592 CD GLN A 122 48.202 5.019 -2.062 1.00 1.51 C ATOM 593 OE1 GLN A 122 47.191 5.315 -2.666 1.00 2.24 O ATOM 594 NE2 GLN A 122 49.258 5.782 -2.144 1.00 1.52 N ATOM 0 H GLN A 122 51.405 2.377 -0.706 1.00 0.95 H new ATOM 0 HA GLN A 122 48.680 1.628 -0.041 1.00 1.05 H new ATOM 0 HB2 GLN A 122 50.262 3.298 -1.860 1.00 1.07 H new ATOM 0 HB3 GLN A 122 49.010 2.467 -2.763 1.00 1.07 H new ATOM 0 HG2 GLN A 122 47.276 3.277 -1.181 1.00 1.49 H new ATOM 0 HG3 GLN A 122 48.502 4.017 -0.171 1.00 1.49 H new ATOM 0 HE21 GLN A 122 50.107 5.534 -1.637 1.00 1.52 H new ATOM 0 HE22 GLN A 122 49.234 6.627 -2.715 1.00 1.52 H new ATOM 603 N ALA A 123 50.289 -0.251 -2.134 1.00 1.11 N ATOM 604 CA ALA A 123 50.177 -1.534 -2.875 1.00 1.26 C ATOM 605 C ALA A 123 49.931 -2.664 -1.875 1.00 1.39 C ATOM 606 O ALA A 123 49.402 -3.704 -2.212 1.00 1.55 O ATOM 607 CB ALA A 123 51.525 -1.715 -3.573 1.00 1.31 C ATOM 0 H ALA A 123 51.228 0.145 -2.090 1.00 1.11 H new ATOM 0 HA ALA A 123 49.356 -1.540 -3.592 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.518 -2.645 -4.142 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.701 -0.877 -4.248 1.00 1.31 H new ATOM 0 HB3 ALA A 123 52.319 -1.752 -2.827 1.00 1.31 H new ATOM 613 N THR A 124 50.308 -2.458 -0.641 1.00 1.38 N ATOM 614 CA THR A 124 50.094 -3.515 0.389 1.00 1.59 C ATOM 615 C THR A 124 49.491 -2.904 1.658 1.00 1.77 C ATOM 616 O THR A 124 49.635 -3.434 2.741 1.00 2.03 O ATOM 617 CB THR A 124 51.485 -4.082 0.674 1.00 1.65 C ATOM 618 OG1 THR A 124 52.389 -3.013 0.919 1.00 2.26 O ATOM 619 CG2 THR A 124 51.965 -4.894 -0.529 1.00 1.97 C ATOM 0 H THR A 124 50.754 -1.605 -0.303 1.00 1.38 H new ATOM 0 HA THR A 124 49.403 -4.287 0.050 1.00 1.59 H new ATOM 0 HB THR A 124 51.441 -4.729 1.550 1.00 1.65 H new ATOM 0 HG1 THR A 124 53.281 -3.375 1.104 1.00 2.26 H new ATOM 0 HG21 THR A 124 52.957 -5.297 -0.324 1.00 1.97 H new ATOM 0 HG22 THR A 124 51.271 -5.714 -0.715 1.00 1.97 H new ATOM 0 HG23 THR A 124 52.010 -4.251 -1.408 1.00 1.97 H new ATOM 627 N GLY A 125 48.816 -1.791 1.534 1.00 1.74 N ATOM 628 CA GLY A 125 48.208 -1.154 2.738 1.00 2.07 C ATOM 629 C GLY A 125 46.732 -0.852 2.470 1.00 1.64 C ATOM 630 O GLY A 125 46.157 -1.323 1.509 1.00 2.16 O ATOM 0 H GLY A 125 48.660 -1.298 0.655 1.00 1.74 H new ATOM 0 HA2 GLY A 125 48.304 -1.816 3.599 1.00 2.07 H new ATOM 0 HA3 GLY A 125 48.739 -0.234 2.982 1.00 2.07 H new ATOM 634 N GLU A 126 46.115 -0.070 3.314 1.00 1.68 N ATOM 635 CA GLU A 126 44.675 0.262 3.107 1.00 1.94 C ATOM 636 C GLU A 126 44.508 1.769 2.891 1.00 1.76 C ATOM 637 O GLU A 126 43.777 2.430 3.601 1.00 2.42 O ATOM 638 CB GLU A 126 43.975 -0.177 4.394 1.00 2.83 C ATOM 639 CG GLU A 126 42.939 -1.255 4.070 1.00 3.43 C ATOM 640 CD GLU A 126 42.628 -2.061 5.332 1.00 4.44 C ATOM 641 OE1 GLU A 126 42.130 -1.475 6.278 1.00 4.97 O ATOM 642 OE2 GLU A 126 42.894 -3.252 5.331 1.00 5.02 O ATOM 0 H GLU A 126 46.544 0.353 4.137 1.00 1.68 H new ATOM 0 HA GLU A 126 44.259 -0.234 2.230 1.00 1.94 H new ATOM 0 HB2 GLU A 126 44.706 -0.562 5.105 1.00 2.83 H new ATOM 0 HB3 GLU A 126 43.491 0.677 4.867 1.00 2.83 H new ATOM 0 HG2 GLU A 126 42.028 -0.795 3.686 1.00 3.43 H new ATOM 0 HG3 GLU A 126 43.317 -1.914 3.289 1.00 3.43 H new ATOM 649 N THR A 127 45.181 2.315 1.916 1.00 1.67 N ATOM 650 CA THR A 127 45.062 3.777 1.655 1.00 1.97 C ATOM 651 C THR A 127 45.085 4.555 2.973 1.00 1.60 C ATOM 652 O THR A 127 44.058 4.816 3.569 1.00 1.70 O ATOM 653 CB THR A 127 43.714 3.948 0.955 1.00 2.78 C ATOM 654 OG1 THR A 127 43.409 2.768 0.226 1.00 3.37 O ATOM 655 CG2 THR A 127 43.781 5.140 -0.002 1.00 3.72 C ATOM 0 H THR A 127 45.808 1.812 1.289 1.00 1.67 H new ATOM 0 HA THR A 127 45.886 4.155 1.050 1.00 1.97 H new ATOM 0 HB THR A 127 42.937 4.127 1.699 1.00 2.78 H new ATOM 0 HG1 THR A 127 42.544 2.875 -0.222 1.00 3.37 H new ATOM 0 HG21 THR A 127 42.819 5.261 -0.501 1.00 3.72 H new ATOM 0 HG22 THR A 127 44.015 6.045 0.559 1.00 3.72 H new ATOM 0 HG23 THR A 127 44.557 4.965 -0.748 1.00 3.72 H new ATOM 663 N ILE A 128 46.248 4.928 3.431 1.00 1.39 N ATOM 664 CA ILE A 128 46.336 5.689 4.710 1.00 1.35 C ATOM 665 C ILE A 128 46.865 7.102 4.450 1.00 1.27 C ATOM 666 O ILE A 128 46.905 7.563 3.326 1.00 1.39 O ATOM 667 CB ILE A 128 47.312 4.901 5.577 1.00 1.59 C ATOM 668 CG1 ILE A 128 48.531 4.511 4.746 1.00 2.00 C ATOM 669 CG2 ILE A 128 46.626 3.637 6.099 1.00 2.58 C ATOM 670 CD1 ILE A 128 49.684 4.184 5.689 1.00 2.44 C ATOM 0 H ILE A 128 47.141 4.739 2.976 1.00 1.39 H new ATOM 0 HA ILE A 128 45.364 5.798 5.192 1.00 1.35 H new ATOM 0 HB ILE A 128 47.628 5.517 6.419 1.00 1.59 H new ATOM 0 HG12 ILE A 128 48.300 3.650 4.119 1.00 2.00 H new ATOM 0 HG13 ILE A 128 48.809 5.326 4.078 1.00 2.00 H new ATOM 0 HG21 ILE A 128 47.324 3.074 6.719 1.00 2.58 H new ATOM 0 HG22 ILE A 128 45.755 3.915 6.693 1.00 2.58 H new ATOM 0 HG23 ILE A 128 46.309 3.021 5.257 1.00 2.58 H new ATOM 0 HD11 ILE A 128 50.562 3.904 5.107 1.00 2.44 H new ATOM 0 HD12 ILE A 128 49.916 5.058 6.297 1.00 2.44 H new ATOM 0 HD13 ILE A 128 49.399 3.356 6.338 1.00 2.44 H new ATOM 682 N THR A 129 47.270 7.795 5.479 1.00 1.18 N ATOM 683 CA THR A 129 47.793 9.179 5.288 1.00 1.21 C ATOM 684 C THR A 129 49.289 9.232 5.606 1.00 1.10 C ATOM 685 O THR A 129 49.929 8.218 5.799 1.00 1.04 O ATOM 686 CB THR A 129 47.004 10.037 6.277 1.00 1.37 C ATOM 687 OG1 THR A 129 47.372 9.687 7.603 1.00 1.63 O ATOM 688 CG2 THR A 129 45.507 9.797 6.080 1.00 1.63 C ATOM 0 H THR A 129 47.262 7.463 6.444 1.00 1.18 H new ATOM 0 HA THR A 129 47.677 9.526 4.261 1.00 1.21 H new ATOM 0 HB THR A 129 47.227 11.090 6.105 1.00 1.37 H new ATOM 0 HG1 THR A 129 46.868 10.237 8.238 1.00 1.63 H new ATOM 0 HG21 THR A 129 44.945 10.409 6.785 1.00 1.63 H new ATOM 0 HG22 THR A 129 45.226 10.066 5.062 1.00 1.63 H new ATOM 0 HG23 THR A 129 45.281 8.745 6.252 1.00 1.63 H new ATOM 696 N GLU A 130 49.851 10.409 5.661 1.00 1.13 N ATOM 697 CA GLU A 130 51.306 10.531 5.969 1.00 1.09 C ATOM 698 C GLU A 130 51.565 10.258 7.455 1.00 1.03 C ATOM 699 O GLU A 130 52.683 10.342 7.923 1.00 0.98 O ATOM 700 CB GLU A 130 51.665 11.977 5.620 1.00 1.23 C ATOM 701 CG GLU A 130 53.028 12.011 4.926 1.00 1.68 C ATOM 702 CD GLU A 130 53.781 13.277 5.342 1.00 2.20 C ATOM 703 OE1 GLU A 130 53.398 13.870 6.337 1.00 2.66 O ATOM 704 OE2 GLU A 130 54.728 13.631 4.659 1.00 2.77 O ATOM 0 H GLU A 130 49.366 11.293 5.506 1.00 1.13 H new ATOM 0 HA GLU A 130 51.905 9.813 5.408 1.00 1.09 H new ATOM 0 HB2 GLU A 130 50.903 12.405 4.969 1.00 1.23 H new ATOM 0 HB3 GLU A 130 51.690 12.585 6.524 1.00 1.23 H new ATOM 0 HG2 GLU A 130 53.606 11.127 5.193 1.00 1.68 H new ATOM 0 HG3 GLU A 130 52.898 11.991 3.844 1.00 1.68 H new ATOM 711 N ASP A 131 50.543 9.937 8.199 1.00 1.08 N ATOM 712 CA ASP A 131 50.738 9.662 9.653 1.00 1.10 C ATOM 713 C ASP A 131 51.344 8.271 9.855 1.00 0.95 C ATOM 714 O ASP A 131 52.190 8.070 10.703 1.00 0.88 O ATOM 715 CB ASP A 131 49.336 9.728 10.258 1.00 1.27 C ATOM 716 CG ASP A 131 49.405 10.394 11.634 1.00 1.65 C ATOM 717 OD1 ASP A 131 49.707 9.700 12.592 1.00 2.09 O ATOM 718 OD2 ASP A 131 49.153 11.585 11.707 1.00 2.28 O ATOM 0 H ASP A 131 49.583 9.853 7.865 1.00 1.08 H new ATOM 0 HA ASP A 131 51.419 10.374 10.119 1.00 1.10 H new ATOM 0 HB2 ASP A 131 48.672 10.291 9.603 1.00 1.27 H new ATOM 0 HB3 ASP A 131 48.920 8.725 10.348 1.00 1.27 H new ATOM 723 N ASP A 132 50.917 7.308 9.085 1.00 0.96 N ATOM 724 CA ASP A 132 51.468 5.931 9.238 1.00 0.88 C ATOM 725 C ASP A 132 52.662 5.727 8.300 1.00 0.76 C ATOM 726 O ASP A 132 53.383 4.755 8.402 1.00 0.72 O ATOM 727 CB ASP A 132 50.317 5.001 8.852 1.00 0.99 C ATOM 728 CG ASP A 132 49.496 4.660 10.097 1.00 1.31 C ATOM 729 OD1 ASP A 132 48.696 5.488 10.501 1.00 1.95 O ATOM 730 OD2 ASP A 132 49.682 3.577 10.627 1.00 1.70 O ATOM 0 H ASP A 132 50.211 7.415 8.357 1.00 0.96 H new ATOM 0 HA ASP A 132 51.827 5.740 10.250 1.00 0.88 H new ATOM 0 HB2 ASP A 132 49.683 5.480 8.106 1.00 0.99 H new ATOM 0 HB3 ASP A 132 50.708 4.089 8.400 1.00 0.99 H new ATOM 735 N ILE A 133 52.877 6.636 7.388 1.00 0.78 N ATOM 736 CA ILE A 133 54.025 6.491 6.446 1.00 0.73 C ATOM 737 C ILE A 133 55.209 7.337 6.923 1.00 0.66 C ATOM 738 O ILE A 133 56.355 6.968 6.758 1.00 0.63 O ATOM 739 CB ILE A 133 53.505 7.005 5.105 1.00 0.84 C ATOM 740 CG1 ILE A 133 52.196 6.292 4.761 1.00 0.91 C ATOM 741 CG2 ILE A 133 54.539 6.723 4.012 1.00 1.14 C ATOM 742 CD1 ILE A 133 51.647 6.836 3.442 1.00 0.96 C ATOM 0 H ILE A 133 52.308 7.472 7.254 1.00 0.78 H new ATOM 0 HA ILE A 133 54.377 5.461 6.378 1.00 0.73 H new ATOM 0 HB ILE A 133 53.331 8.079 5.171 1.00 0.84 H new ATOM 0 HG12 ILE A 133 52.365 5.218 4.681 1.00 0.91 H new ATOM 0 HG13 ILE A 133 51.468 6.441 5.559 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.167 7.090 3.056 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.473 7.228 4.256 1.00 1.14 H new ATOM 0 HG23 ILE A 133 54.714 5.649 3.945 1.00 1.14 H new ATOM 0 HD11 ILE A 133 50.714 6.327 3.198 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.462 7.906 3.539 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.373 6.664 2.647 1.00 0.96 H new ATOM 754 N GLU A 134 54.941 8.469 7.513 1.00 0.73 N ATOM 755 CA GLU A 134 56.050 9.339 8.000 1.00 0.77 C ATOM 756 C GLU A 134 57.006 8.526 8.876 1.00 0.70 C ATOM 757 O GLU A 134 58.198 8.764 8.899 1.00 0.68 O ATOM 758 CB GLU A 134 55.366 10.433 8.821 1.00 0.96 C ATOM 759 CG GLU A 134 55.052 11.628 7.920 1.00 0.95 C ATOM 760 CD GLU A 134 56.334 12.417 7.652 1.00 1.60 C ATOM 761 OE1 GLU A 134 56.939 12.869 8.610 1.00 2.07 O ATOM 762 OE2 GLU A 134 56.689 12.556 6.493 1.00 2.27 O ATOM 0 H GLU A 134 54.002 8.830 7.679 1.00 0.73 H new ATOM 0 HA GLU A 134 56.640 9.755 7.184 1.00 0.77 H new ATOM 0 HB2 GLU A 134 54.448 10.048 9.265 1.00 0.96 H new ATOM 0 HB3 GLU A 134 56.012 10.743 9.642 1.00 0.96 H new ATOM 0 HG2 GLU A 134 54.621 11.284 6.980 1.00 0.95 H new ATOM 0 HG3 GLU A 134 54.310 12.270 8.395 1.00 0.95 H new ATOM 769 N GLU A 135 56.493 7.566 9.597 1.00 0.74 N ATOM 770 CA GLU A 135 57.372 6.737 10.470 1.00 0.76 C ATOM 771 C GLU A 135 58.002 5.602 9.657 1.00 0.66 C ATOM 772 O GLU A 135 59.064 5.109 9.982 1.00 0.74 O ATOM 773 CB GLU A 135 56.442 6.174 11.546 1.00 0.88 C ATOM 774 CG GLU A 135 56.976 6.549 12.931 1.00 1.20 C ATOM 775 CD GLU A 135 56.556 5.484 13.945 1.00 1.48 C ATOM 776 OE1 GLU A 135 56.015 4.475 13.525 1.00 2.16 O ATOM 777 OE2 GLU A 135 56.783 5.696 15.125 1.00 1.95 O ATOM 0 H GLU A 135 55.503 7.320 9.619 1.00 0.74 H new ATOM 0 HA GLU A 135 58.191 7.313 10.900 1.00 0.76 H new ATOM 0 HB2 GLU A 135 55.435 6.569 11.414 1.00 0.88 H new ATOM 0 HB3 GLU A 135 56.374 5.090 11.452 1.00 0.88 H new ATOM 0 HG2 GLU A 135 58.063 6.632 12.903 1.00 1.20 H new ATOM 0 HG3 GLU A 135 56.590 7.523 13.230 1.00 1.20 H new ATOM 784 N LEU A 136 57.355 5.186 8.604 1.00 0.62 N ATOM 785 CA LEU A 136 57.916 4.083 7.770 1.00 0.66 C ATOM 786 C LEU A 136 59.278 4.488 7.199 1.00 0.61 C ATOM 787 O LEU A 136 60.269 3.812 7.391 1.00 0.70 O ATOM 788 CB LEU A 136 56.901 3.883 6.643 1.00 0.77 C ATOM 789 CG LEU A 136 56.345 2.460 6.704 1.00 0.86 C ATOM 790 CD1 LEU A 136 57.503 1.459 6.688 1.00 1.63 C ATOM 791 CD2 LEU A 136 55.538 2.284 7.992 1.00 1.38 C ATOM 0 H LEU A 136 56.462 5.561 8.284 1.00 0.62 H new ATOM 0 HA LEU A 136 58.073 3.171 8.346 1.00 0.66 H new ATOM 0 HB2 LEU A 136 56.091 4.606 6.737 1.00 0.77 H new ATOM 0 HB3 LEU A 136 57.375 4.059 5.677 1.00 0.77 H new ATOM 0 HG LEU A 136 55.700 2.284 5.843 1.00 0.86 H new ATOM 0 HD11 LEU A 136 57.107 0.444 6.731 1.00 1.63 H new ATOM 0 HD12 LEU A 136 58.080 1.585 5.772 1.00 1.63 H new ATOM 0 HD13 LEU A 136 58.147 1.634 7.549 1.00 1.63 H new ATOM 0 HD21 LEU A 136 55.141 1.270 8.037 1.00 1.38 H new ATOM 0 HD22 LEU A 136 56.183 2.459 8.853 1.00 1.38 H new ATOM 0 HD23 LEU A 136 54.714 2.997 8.005 1.00 1.38 H new ATOM 803 N MET A 137 59.334 5.588 6.498 1.00 0.55 N ATOM 804 CA MET A 137 60.633 6.033 5.917 1.00 0.59 C ATOM 805 C MET A 137 61.540 6.590 7.017 1.00 0.65 C ATOM 806 O MET A 137 62.749 6.589 6.898 1.00 0.81 O ATOM 807 CB MET A 137 60.264 7.134 4.922 1.00 0.60 C ATOM 808 CG MET A 137 61.520 7.916 4.535 1.00 0.96 C ATOM 809 SD MET A 137 62.656 6.828 3.637 1.00 1.23 S ATOM 810 CE MET A 137 62.028 7.165 1.974 1.00 1.35 C ATOM 0 H MET A 137 58.539 6.196 6.303 1.00 0.55 H new ATOM 0 HA MET A 137 61.174 5.216 5.441 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.807 6.698 4.034 1.00 0.60 H new ATOM 0 HB3 MET A 137 59.527 7.805 5.363 1.00 0.60 H new ATOM 0 HG2 MET A 137 61.252 8.771 3.915 1.00 0.96 H new ATOM 0 HG3 MET A 137 62.006 8.309 5.428 1.00 0.96 H new ATOM 0 HE1 MET A 137 61.655 6.241 1.532 1.00 1.35 H new ATOM 0 HE2 MET A 137 61.219 7.893 2.031 1.00 1.35 H new ATOM 0 HE3 MET A 137 62.832 7.564 1.356 1.00 1.35 H new ATOM 820 N LYS A 138 60.965 7.064 8.088 1.00 0.62 N ATOM 821 CA LYS A 138 61.795 7.620 9.195 1.00 0.79 C ATOM 822 C LYS A 138 63.002 6.716 9.456 1.00 0.86 C ATOM 823 O LYS A 138 64.138 7.141 9.373 1.00 1.16 O ATOM 824 CB LYS A 138 60.867 7.642 10.411 1.00 0.87 C ATOM 825 CG LYS A 138 60.926 9.020 11.073 1.00 1.55 C ATOM 826 CD LYS A 138 62.370 9.330 11.475 1.00 2.07 C ATOM 827 CE LYS A 138 62.551 10.846 11.601 1.00 2.85 C ATOM 828 NZ LYS A 138 62.390 11.378 10.216 1.00 3.36 N ATOM 0 H LYS A 138 59.957 7.091 8.245 1.00 0.62 H new ATOM 0 HA LYS A 138 62.186 8.611 8.962 1.00 0.79 H new ATOM 0 HB2 LYS A 138 59.845 7.417 10.106 1.00 0.87 H new ATOM 0 HB3 LYS A 138 61.164 6.872 11.123 1.00 0.87 H new ATOM 0 HG2 LYS A 138 60.557 9.782 10.386 1.00 1.55 H new ATOM 0 HG3 LYS A 138 60.280 9.042 11.951 1.00 1.55 H new ATOM 0 HD2 LYS A 138 62.607 8.845 12.422 1.00 2.07 H new ATOM 0 HD3 LYS A 138 63.059 8.931 10.731 1.00 2.07 H new ATOM 0 HE2 LYS A 138 61.811 11.276 12.276 1.00 2.85 H new ATOM 0 HE3 LYS A 138 63.533 11.093 12.006 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 63.051 12.167 10.068 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 62.592 10.624 9.529 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 61.415 11.714 10.085 1.00 3.36 H new ATOM 842 N ASP A 139 62.767 5.472 9.771 1.00 0.71 N ATOM 843 CA ASP A 139 63.901 4.540 10.037 1.00 0.85 C ATOM 844 C ASP A 139 64.476 4.018 8.718 1.00 0.85 C ATOM 845 O ASP A 139 65.600 3.559 8.658 1.00 1.02 O ATOM 846 CB ASP A 139 63.289 3.397 10.845 1.00 0.97 C ATOM 847 CG ASP A 139 62.525 3.967 12.041 1.00 1.50 C ATOM 848 OD1 ASP A 139 63.142 4.162 13.075 1.00 1.80 O ATOM 849 OD2 ASP A 139 61.336 4.201 11.902 1.00 2.33 O ATOM 0 H ASP A 139 61.838 5.059 9.856 1.00 0.71 H new ATOM 0 HA ASP A 139 64.719 5.024 10.570 1.00 0.85 H new ATOM 0 HB2 ASP A 139 62.617 2.813 10.216 1.00 0.97 H new ATOM 0 HB3 ASP A 139 64.072 2.721 11.189 1.00 0.97 H new ATOM 854 N GLY A 140 63.713 4.085 7.661 1.00 0.81 N ATOM 855 CA GLY A 140 64.214 3.593 6.347 1.00 0.86 C ATOM 856 C GLY A 140 65.480 4.357 5.961 1.00 0.77 C ATOM 857 O GLY A 140 66.394 3.809 5.379 1.00 0.86 O ATOM 0 H GLY A 140 62.764 4.459 7.651 1.00 0.81 H new ATOM 0 HA2 GLY A 140 64.425 2.525 6.404 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.449 3.727 5.582 1.00 0.86 H new ATOM 861 N ASP A 141 65.540 5.621 6.279 1.00 0.70 N ATOM 862 CA ASP A 141 66.747 6.421 5.929 1.00 0.66 C ATOM 863 C ASP A 141 67.899 6.089 6.882 1.00 0.74 C ATOM 864 O ASP A 141 68.091 6.740 7.890 1.00 0.87 O ATOM 865 CB ASP A 141 66.314 7.878 6.097 1.00 0.66 C ATOM 866 CG ASP A 141 66.293 8.570 4.732 1.00 0.76 C ATOM 867 OD1 ASP A 141 66.430 7.878 3.736 1.00 0.92 O ATOM 868 OD2 ASP A 141 66.140 9.779 4.706 1.00 0.83 O ATOM 0 H ASP A 141 64.805 6.134 6.766 1.00 0.70 H new ATOM 0 HA ASP A 141 67.103 6.213 4.920 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.325 7.923 6.554 1.00 0.66 H new ATOM 0 HB3 ASP A 141 66.999 8.396 6.768 1.00 0.66 H new ATOM 873 N LYS A 142 68.665 5.078 6.572 1.00 0.75 N ATOM 874 CA LYS A 142 69.802 4.705 7.461 1.00 0.87 C ATOM 875 C LYS A 142 70.774 5.878 7.597 1.00 0.89 C ATOM 876 O LYS A 142 71.616 5.901 8.472 1.00 1.05 O ATOM 877 CB LYS A 142 70.478 3.523 6.766 1.00 0.89 C ATOM 878 CG LYS A 142 71.378 2.792 7.764 1.00 1.24 C ATOM 879 CD LYS A 142 71.581 1.346 7.305 1.00 1.26 C ATOM 880 CE LYS A 142 72.992 0.886 7.678 1.00 1.55 C ATOM 881 NZ LYS A 142 73.487 0.152 6.479 1.00 1.99 N ATOM 0 H LYS A 142 68.553 4.495 5.743 1.00 0.75 H new ATOM 0 HA LYS A 142 69.472 4.450 8.468 1.00 0.87 H new ATOM 0 HB2 LYS A 142 69.725 2.841 6.371 1.00 0.89 H new ATOM 0 HB3 LYS A 142 71.067 3.874 5.918 1.00 0.89 H new ATOM 0 HG2 LYS A 142 72.340 3.299 7.841 1.00 1.24 H new ATOM 0 HG3 LYS A 142 70.928 2.810 8.757 1.00 1.24 H new ATOM 0 HD2 LYS A 142 70.840 0.697 7.772 1.00 1.26 H new ATOM 0 HD3 LYS A 142 71.436 1.271 6.227 1.00 1.26 H new ATOM 0 HE2 LYS A 142 73.634 1.734 7.915 1.00 1.55 H new ATOM 0 HE3 LYS A 142 72.978 0.242 8.557 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 74.451 -0.195 6.658 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 72.860 -0.654 6.282 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 73.496 0.792 5.659 1.00 1.99 H new ATOM 895 N ASN A 143 70.664 6.855 6.739 1.00 0.85 N ATOM 896 CA ASN A 143 71.581 8.027 6.824 1.00 1.05 C ATOM 897 C ASN A 143 70.776 9.329 6.811 1.00 1.07 C ATOM 898 O ASN A 143 71.326 10.411 6.868 1.00 1.56 O ATOM 899 CB ASN A 143 72.470 7.928 5.583 1.00 1.08 C ATOM 900 CG ASN A 143 71.617 8.101 4.325 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.405 8.111 4.395 1.00 0.98 O ATOM 902 ND2 ASN A 143 72.205 8.236 3.167 1.00 1.48 N ATOM 0 H ASN A 143 69.980 6.893 5.984 1.00 0.85 H new ATOM 0 HA ASN A 143 72.168 8.028 7.743 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.245 8.693 5.617 1.00 1.08 H new ATOM 0 HB3 ASN A 143 72.976 6.963 5.562 1.00 1.08 H new ATOM 0 HD21 ASN A 143 71.646 8.350 2.321 1.00 1.48 H new ATOM 0 HD22 ASN A 143 73.223 8.228 3.108 1.00 1.48 H new ATOM 909 N ASN A 144 69.477 9.231 6.741 1.00 0.78 N ATOM 910 CA ASN A 144 68.636 10.461 6.727 1.00 0.82 C ATOM 911 C ASN A 144 69.098 11.409 5.618 1.00 0.82 C ATOM 912 O ASN A 144 69.648 12.462 5.876 1.00 0.92 O ATOM 913 CB ASN A 144 68.845 11.099 8.100 1.00 0.95 C ATOM 914 CG ASN A 144 67.709 10.683 9.036 1.00 1.47 C ATOM 915 OD1 ASN A 144 66.671 11.313 9.067 1.00 2.28 O ATOM 916 ND2 ASN A 144 67.864 9.641 9.806 1.00 1.93 N ATOM 0 H ASN A 144 68.961 8.352 6.693 1.00 0.78 H new ATOM 0 HA ASN A 144 67.586 10.240 6.535 1.00 0.82 H new ATOM 0 HB2 ASN A 144 69.804 10.788 8.515 1.00 0.95 H new ATOM 0 HB3 ASN A 144 68.875 12.185 8.007 1.00 0.95 H new ATOM 0 HD21 ASN A 144 67.113 9.355 10.434 1.00 1.93 H new ATOM 0 HD22 ASN A 144 68.736 9.112 9.779 1.00 1.93 H new ATOM 923 N ASP A 145 68.880 11.044 4.384 1.00 0.75 N ATOM 924 CA ASP A 145 69.308 11.925 3.259 1.00 0.78 C ATOM 925 C ASP A 145 68.098 12.320 2.407 1.00 0.74 C ATOM 926 O ASP A 145 68.132 13.286 1.673 1.00 0.81 O ATOM 927 CB ASP A 145 70.284 11.077 2.443 1.00 0.76 C ATOM 928 CG ASP A 145 69.511 9.996 1.686 1.00 1.12 C ATOM 929 OD1 ASP A 145 69.021 10.291 0.609 1.00 1.85 O ATOM 930 OD2 ASP A 145 69.424 8.891 2.196 1.00 1.72 O ATOM 0 H ASP A 145 68.425 10.175 4.106 1.00 0.75 H new ATOM 0 HA ASP A 145 69.765 12.850 3.609 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.831 11.707 1.741 1.00 0.76 H new ATOM 0 HB3 ASP A 145 71.022 10.618 3.101 1.00 0.76 H new ATOM 935 N GLY A 146 67.027 11.577 2.500 1.00 0.69 N ATOM 936 CA GLY A 146 65.817 11.911 1.696 1.00 0.70 C ATOM 937 C GLY A 146 65.453 10.724 0.802 1.00 0.58 C ATOM 938 O GLY A 146 64.408 10.121 0.950 1.00 0.62 O ATOM 0 H GLY A 146 66.939 10.755 3.097 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.984 12.151 2.356 1.00 0.70 H new ATOM 0 HA3 GLY A 146 66.005 12.795 1.086 1.00 0.70 H new ATOM 942 N ARG A 147 66.305 10.385 -0.127 1.00 0.54 N ATOM 943 CA ARG A 147 66.005 9.237 -1.031 1.00 0.49 C ATOM 944 C ARG A 147 66.458 7.921 -0.391 1.00 0.44 C ATOM 945 O ARG A 147 66.921 7.892 0.731 1.00 0.56 O ATOM 946 CB ARG A 147 66.806 9.514 -2.305 1.00 0.57 C ATOM 947 CG ARG A 147 65.882 10.112 -3.369 1.00 0.78 C ATOM 948 CD ARG A 147 66.676 10.353 -4.654 1.00 0.73 C ATOM 949 NE ARG A 147 66.558 11.815 -4.908 1.00 1.07 N ATOM 950 CZ ARG A 147 67.243 12.367 -5.872 1.00 1.60 C ATOM 951 NH1 ARG A 147 67.590 11.660 -6.913 1.00 2.22 N ATOM 952 NH2 ARG A 147 67.578 13.626 -5.797 1.00 2.32 N ATOM 0 H ARG A 147 67.195 10.852 -0.299 1.00 0.54 H new ATOM 0 HA ARG A 147 64.938 9.141 -1.231 1.00 0.49 H new ATOM 0 HB2 ARG A 147 67.624 10.202 -2.091 1.00 0.57 H new ATOM 0 HB3 ARG A 147 67.254 8.591 -2.674 1.00 0.57 H new ATOM 0 HG2 ARG A 147 65.049 9.437 -3.564 1.00 0.78 H new ATOM 0 HG3 ARG A 147 65.455 11.049 -3.011 1.00 0.78 H new ATOM 0 HD2 ARG A 147 67.718 10.055 -4.536 1.00 0.73 H new ATOM 0 HD3 ARG A 147 66.271 9.774 -5.484 1.00 0.73 H new ATOM 0 HE ARG A 147 65.942 12.385 -4.329 1.00 1.07 H new ATOM 0 HH11 ARG A 147 67.326 10.677 -6.973 1.00 2.22 H new ATOM 0 HH12 ARG A 147 68.125 12.091 -7.667 1.00 2.22 H new ATOM 0 HH21 ARG A 147 67.304 14.179 -4.985 1.00 2.32 H new ATOM 0 HH22 ARG A 147 68.113 14.057 -6.551 1.00 2.32 H new ATOM 966 N ILE A 148 66.326 6.832 -1.099 1.00 0.35 N ATOM 967 CA ILE A 148 66.748 5.518 -0.537 1.00 0.36 C ATOM 968 C ILE A 148 67.421 4.674 -1.627 1.00 0.40 C ATOM 969 O ILE A 148 66.911 4.534 -2.721 1.00 0.41 O ATOM 970 CB ILE A 148 65.447 4.865 -0.047 1.00 0.35 C ATOM 971 CG1 ILE A 148 65.167 5.330 1.386 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.576 3.337 -0.075 1.00 0.43 C ATOM 973 CD1 ILE A 148 64.112 4.428 2.035 1.00 0.40 C ATOM 0 H ILE A 148 65.943 6.796 -2.044 1.00 0.35 H new ATOM 0 HA ILE A 148 67.474 5.616 0.270 1.00 0.36 H new ATOM 0 HB ILE A 148 64.627 5.158 -0.702 1.00 0.35 H new ATOM 0 HG12 ILE A 148 66.087 5.306 1.971 1.00 0.40 H new ATOM 0 HG13 ILE A 148 64.820 6.363 1.380 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.647 2.887 0.275 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.778 3.008 -1.094 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.395 3.029 0.575 1.00 0.43 H new ATOM 0 HD11 ILE A 148 63.920 4.767 3.053 1.00 0.40 H new ATOM 0 HD12 ILE A 148 63.189 4.474 1.457 1.00 0.40 H new ATOM 0 HD13 ILE A 148 64.475 3.401 2.057 1.00 0.40 H new ATOM 985 N ASP A 149 68.560 4.108 -1.331 1.00 0.47 N ATOM 986 CA ASP A 149 69.260 3.273 -2.347 1.00 0.55 C ATOM 987 C ASP A 149 69.158 1.792 -1.969 1.00 0.58 C ATOM 988 O ASP A 149 68.431 1.419 -1.069 1.00 0.54 O ATOM 989 CB ASP A 149 70.717 3.737 -2.312 1.00 0.65 C ATOM 990 CG ASP A 149 71.229 3.714 -0.871 1.00 1.32 C ATOM 991 OD1 ASP A 149 71.658 2.660 -0.433 1.00 2.00 O ATOM 992 OD2 ASP A 149 71.184 4.752 -0.232 1.00 2.16 O ATOM 0 H ASP A 149 69.034 4.188 -0.432 1.00 0.47 H new ATOM 0 HA ASP A 149 68.825 3.381 -3.341 1.00 0.55 H new ATOM 0 HB2 ASP A 149 71.331 3.088 -2.937 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.798 4.744 -2.721 1.00 0.65 H new ATOM 997 N TYR A 150 69.877 0.947 -2.653 1.00 0.67 N ATOM 998 CA TYR A 150 69.818 -0.509 -2.338 1.00 0.73 C ATOM 999 C TYR A 150 70.355 -0.777 -0.928 1.00 0.75 C ATOM 1000 O TYR A 150 69.878 -1.648 -0.229 1.00 0.76 O ATOM 1001 CB TYR A 150 70.710 -1.174 -3.387 1.00 0.84 C ATOM 1002 CG TYR A 150 70.516 -2.670 -3.340 1.00 0.97 C ATOM 1003 CD1 TYR A 150 69.226 -3.205 -3.233 1.00 1.63 C ATOM 1004 CD2 TYR A 150 71.624 -3.522 -3.404 1.00 1.74 C ATOM 1005 CE1 TYR A 150 69.046 -4.592 -3.189 1.00 2.06 C ATOM 1006 CE2 TYR A 150 71.445 -4.910 -3.360 1.00 2.14 C ATOM 1007 CZ TYR A 150 70.155 -5.445 -3.252 1.00 2.02 C ATOM 1008 OH TYR A 150 69.977 -6.813 -3.208 1.00 2.63 O ATOM 0 H TYR A 150 70.503 1.201 -3.417 1.00 0.67 H new ATOM 0 HA TYR A 150 68.798 -0.893 -2.362 1.00 0.73 H new ATOM 0 HB2 TYR A 150 70.465 -0.796 -4.380 1.00 0.84 H new ATOM 0 HB3 TYR A 150 71.755 -0.926 -3.200 1.00 0.84 H new ATOM 0 HD1 TYR A 150 68.371 -2.547 -3.184 1.00 1.63 H new ATOM 0 HD2 TYR A 150 72.618 -3.109 -3.487 1.00 1.74 H new ATOM 0 HE1 TYR A 150 68.051 -5.005 -3.106 1.00 2.06 H new ATOM 0 HE2 TYR A 150 72.301 -5.567 -3.409 1.00 2.14 H new ATOM 0 HH TYR A 150 70.848 -7.258 -3.264 1.00 2.63 H new ATOM 1018 N ASP A 151 71.347 -0.039 -0.509 1.00 0.78 N ATOM 1019 CA ASP A 151 71.915 -0.256 0.854 1.00 0.82 C ATOM 1020 C ASP A 151 70.889 0.121 1.928 1.00 0.74 C ATOM 1021 O ASP A 151 70.374 -0.726 2.630 1.00 0.76 O ATOM 1022 CB ASP A 151 73.131 0.669 0.929 1.00 0.87 C ATOM 1023 CG ASP A 151 73.951 0.543 -0.356 1.00 1.31 C ATOM 1024 OD1 ASP A 151 73.706 -0.388 -1.104 1.00 1.67 O ATOM 1025 OD2 ASP A 151 74.812 1.381 -0.569 1.00 2.08 O ATOM 0 H ASP A 151 71.789 0.704 -1.050 1.00 0.78 H new ATOM 0 HA ASP A 151 72.182 -1.299 1.025 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.808 1.701 1.066 1.00 0.87 H new ATOM 0 HB3 ASP A 151 73.745 0.410 1.791 1.00 0.87 H new ATOM 1030 N GLU A 152 70.593 1.384 2.063 1.00 0.67 N ATOM 1031 CA GLU A 152 69.605 1.811 3.094 1.00 0.61 C ATOM 1032 C GLU A 152 68.333 0.967 2.991 1.00 0.58 C ATOM 1033 O GLU A 152 67.809 0.498 3.980 1.00 0.58 O ATOM 1034 CB GLU A 152 69.308 3.277 2.776 1.00 0.59 C ATOM 1035 CG GLU A 152 70.616 4.069 2.760 1.00 0.76 C ATOM 1036 CD GLU A 152 70.343 5.511 3.188 1.00 0.75 C ATOM 1037 OE1 GLU A 152 69.738 5.694 4.231 1.00 1.39 O ATOM 1038 OE2 GLU A 152 70.745 6.409 2.465 1.00 1.20 O ATOM 0 H GLU A 152 70.992 2.139 1.505 1.00 0.67 H new ATOM 0 HA GLU A 152 69.985 1.685 4.108 1.00 0.61 H new ATOM 0 HB2 GLU A 152 68.810 3.357 1.810 1.00 0.59 H new ATOM 0 HB3 GLU A 152 68.628 3.691 3.520 1.00 0.59 H new ATOM 0 HG2 GLU A 152 71.340 3.609 3.433 1.00 0.76 H new ATOM 0 HG3 GLU A 152 71.052 4.051 1.761 1.00 0.76 H new ATOM 1045 N PHE A 153 67.833 0.770 1.802 1.00 0.60 N ATOM 1046 CA PHE A 153 66.594 -0.044 1.637 1.00 0.61 C ATOM 1047 C PHE A 153 66.774 -1.424 2.276 1.00 0.66 C ATOM 1048 O PHE A 153 65.891 -1.929 2.940 1.00 0.71 O ATOM 1049 CB PHE A 153 66.404 -0.173 0.126 1.00 0.64 C ATOM 1050 CG PHE A 153 65.132 -0.937 -0.160 1.00 0.68 C ATOM 1051 CD1 PHE A 153 65.111 -2.331 -0.042 1.00 1.47 C ATOM 1052 CD2 PHE A 153 63.975 -0.249 -0.543 1.00 1.18 C ATOM 1053 CE1 PHE A 153 63.932 -3.038 -0.307 1.00 1.55 C ATOM 1054 CE2 PHE A 153 62.797 -0.955 -0.809 1.00 1.24 C ATOM 1055 CZ PHE A 153 62.774 -2.350 -0.691 1.00 0.93 C ATOM 0 H PHE A 153 68.229 1.138 0.937 1.00 0.60 H new ATOM 0 HA PHE A 153 65.732 0.416 2.119 1.00 0.61 H new ATOM 0 HB2 PHE A 153 66.357 0.816 -0.331 1.00 0.64 H new ATOM 0 HB3 PHE A 153 67.257 -0.688 -0.316 1.00 0.64 H new ATOM 0 HD1 PHE A 153 66.004 -2.862 0.253 1.00 1.47 H new ATOM 0 HD2 PHE A 153 63.992 0.827 -0.633 1.00 1.18 H new ATOM 0 HE1 PHE A 153 63.915 -4.114 -0.215 1.00 1.55 H new ATOM 0 HE2 PHE A 153 61.905 -0.424 -1.106 1.00 1.24 H new ATOM 0 HZ PHE A 153 61.864 -2.895 -0.896 1.00 0.93 H new ATOM 1065 N LEU A 154 67.909 -2.037 2.083 1.00 0.72 N ATOM 1066 CA LEU A 154 68.135 -3.381 2.685 1.00 0.80 C ATOM 1067 C LEU A 154 67.792 -3.346 4.176 1.00 0.79 C ATOM 1068 O LEU A 154 67.141 -4.231 4.693 1.00 0.82 O ATOM 1069 CB LEU A 154 69.622 -3.671 2.478 1.00 0.92 C ATOM 1070 CG LEU A 154 69.784 -4.840 1.505 1.00 0.85 C ATOM 1071 CD1 LEU A 154 68.906 -6.008 1.959 1.00 1.74 C ATOM 1072 CD2 LEU A 154 69.359 -4.398 0.103 1.00 1.54 C ATOM 0 H LEU A 154 68.687 -1.667 1.537 1.00 0.72 H new ATOM 0 HA LEU A 154 67.511 -4.150 2.230 1.00 0.80 H new ATOM 0 HB2 LEU A 154 70.125 -2.786 2.087 1.00 0.92 H new ATOM 0 HB3 LEU A 154 70.093 -3.910 3.432 1.00 0.92 H new ATOM 0 HG LEU A 154 70.827 -5.156 1.487 1.00 0.85 H new ATOM 0 HD11 LEU A 154 69.021 -6.841 1.266 1.00 1.74 H new ATOM 0 HD12 LEU A 154 69.208 -6.323 2.958 1.00 1.74 H new ATOM 0 HD13 LEU A 154 67.863 -5.693 1.977 1.00 1.74 H new ATOM 0 HD21 LEU A 154 69.474 -5.230 -0.591 1.00 1.54 H new ATOM 0 HD22 LEU A 154 68.316 -4.082 0.122 1.00 1.54 H new ATOM 0 HD23 LEU A 154 69.984 -3.566 -0.221 1.00 1.54 H new ATOM 1084 N GLU A 155 68.219 -2.324 4.867 1.00 0.79 N ATOM 1085 CA GLU A 155 67.907 -2.226 6.322 1.00 0.82 C ATOM 1086 C GLU A 155 66.440 -1.833 6.508 1.00 0.81 C ATOM 1087 O GLU A 155 65.807 -2.194 7.480 1.00 0.90 O ATOM 1088 CB GLU A 155 68.829 -1.129 6.852 1.00 0.85 C ATOM 1089 CG GLU A 155 68.587 -0.935 8.350 1.00 0.95 C ATOM 1090 CD GLU A 155 68.832 -2.255 9.084 1.00 1.67 C ATOM 1091 OE1 GLU A 155 69.585 -3.065 8.570 1.00 2.47 O ATOM 1092 OE2 GLU A 155 68.263 -2.432 10.148 1.00 2.27 O ATOM 0 H GLU A 155 68.770 -1.554 4.488 1.00 0.79 H new ATOM 0 HA GLU A 155 68.058 -3.169 6.848 1.00 0.82 H new ATOM 0 HB2 GLU A 155 69.870 -1.397 6.673 1.00 0.85 H new ATOM 0 HB3 GLU A 155 68.644 -0.196 6.320 1.00 0.85 H new ATOM 0 HG2 GLU A 155 69.250 -0.162 8.739 1.00 0.95 H new ATOM 0 HG3 GLU A 155 67.566 -0.595 8.523 1.00 0.95 H new ATOM 1099 N PHE A 156 65.896 -1.097 5.578 1.00 0.75 N ATOM 1100 CA PHE A 156 64.471 -0.679 5.687 1.00 0.78 C ATOM 1101 C PHE A 156 63.588 -1.892 5.979 1.00 0.84 C ATOM 1102 O PHE A 156 63.007 -2.009 7.039 1.00 0.90 O ATOM 1103 CB PHE A 156 64.130 -0.090 4.316 1.00 0.78 C ATOM 1104 CG PHE A 156 62.875 0.746 4.417 1.00 0.85 C ATOM 1105 CD1 PHE A 156 61.684 0.173 4.878 1.00 1.27 C ATOM 1106 CD2 PHE A 156 62.904 2.095 4.046 1.00 1.66 C ATOM 1107 CE1 PHE A 156 60.522 0.950 4.970 1.00 1.31 C ATOM 1108 CE2 PHE A 156 61.742 2.872 4.137 1.00 1.77 C ATOM 1109 CZ PHE A 156 60.552 2.299 4.599 1.00 1.10 C ATOM 0 H PHE A 156 66.380 -0.766 4.744 1.00 0.75 H new ATOM 0 HA PHE A 156 64.309 0.036 6.494 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.958 0.522 3.956 1.00 0.78 H new ATOM 0 HB3 PHE A 156 63.987 -0.891 3.591 1.00 0.78 H new ATOM 0 HD1 PHE A 156 61.661 -0.868 5.163 1.00 1.27 H new ATOM 0 HD2 PHE A 156 63.823 2.537 3.689 1.00 1.66 H new ATOM 0 HE1 PHE A 156 59.603 0.508 5.327 1.00 1.31 H new ATOM 0 HE2 PHE A 156 61.765 3.913 3.851 1.00 1.77 H new ATOM 0 HZ PHE A 156 59.656 2.898 4.669 1.00 1.10 H new ATOM 1119 N MET A 157 63.481 -2.792 5.042 1.00 0.86 N ATOM 1120 CA MET A 157 62.629 -4.000 5.257 1.00 0.95 C ATOM 1121 C MET A 157 63.273 -4.939 6.280 1.00 0.99 C ATOM 1122 O MET A 157 62.635 -5.830 6.806 1.00 1.12 O ATOM 1123 CB MET A 157 62.545 -4.674 3.888 1.00 0.99 C ATOM 1124 CG MET A 157 61.950 -3.697 2.872 1.00 1.28 C ATOM 1125 SD MET A 157 60.333 -3.133 3.454 1.00 1.48 S ATOM 1126 CE MET A 157 59.493 -3.161 1.851 1.00 1.12 C ATOM 0 H MET A 157 63.946 -2.745 4.135 1.00 0.86 H new ATOM 0 HA MET A 157 61.645 -3.742 5.648 1.00 0.95 H new ATOM 0 HB2 MET A 157 63.537 -4.991 3.566 1.00 0.99 H new ATOM 0 HB3 MET A 157 61.928 -5.571 3.950 1.00 0.99 H new ATOM 0 HG2 MET A 157 62.617 -2.846 2.736 1.00 1.28 H new ATOM 0 HG3 MET A 157 61.850 -4.182 1.901 1.00 1.28 H new ATOM 0 HE1 MET A 157 58.458 -2.842 1.977 1.00 1.12 H new ATOM 0 HE2 MET A 157 60.000 -2.485 1.163 1.00 1.12 H new ATOM 0 HE3 MET A 157 59.514 -4.173 1.447 1.00 1.12 H new ATOM 1136 N LYS A 158 64.531 -4.753 6.567 1.00 0.94 N ATOM 1137 CA LYS A 158 65.208 -5.641 7.556 1.00 1.02 C ATOM 1138 C LYS A 158 64.571 -5.475 8.938 1.00 1.05 C ATOM 1139 O LYS A 158 64.235 -6.439 9.597 1.00 1.20 O ATOM 1140 CB LYS A 158 66.663 -5.177 7.575 1.00 1.07 C ATOM 1141 CG LYS A 158 67.588 -6.391 7.461 1.00 1.26 C ATOM 1142 CD LYS A 158 67.495 -6.972 6.048 1.00 1.53 C ATOM 1143 CE LYS A 158 67.692 -8.489 6.107 1.00 1.45 C ATOM 1144 NZ LYS A 158 66.386 -9.063 5.679 1.00 2.07 N ATOM 0 H LYS A 158 65.120 -4.026 6.161 1.00 0.94 H new ATOM 0 HA LYS A 158 65.122 -6.695 7.292 1.00 1.02 H new ATOM 0 HB2 LYS A 158 66.847 -4.488 6.751 1.00 1.07 H new ATOM 0 HB3 LYS A 158 66.870 -4.634 8.497 1.00 1.07 H new ATOM 0 HG2 LYS A 158 68.616 -6.100 7.679 1.00 1.26 H new ATOM 0 HG3 LYS A 158 67.307 -7.146 8.195 1.00 1.26 H new ATOM 0 HD2 LYS A 158 66.525 -6.737 5.610 1.00 1.53 H new ATOM 0 HD3 LYS A 158 68.252 -6.521 5.407 1.00 1.53 H new ATOM 0 HE2 LYS A 158 68.499 -8.808 5.447 1.00 1.45 H new ATOM 0 HE3 LYS A 158 67.955 -8.814 7.113 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 66.442 -10.101 5.694 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 65.638 -8.747 6.329 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 66.165 -8.742 4.715 1.00 2.07 H new ATOM 1158 N GLY A 159 64.403 -4.259 9.382 1.00 1.04 N ATOM 1159 CA GLY A 159 63.789 -4.034 10.722 1.00 1.14 C ATOM 1160 C GLY A 159 62.373 -3.480 10.547 1.00 1.14 C ATOM 1161 O GLY A 159 61.886 -2.727 11.367 1.00 1.38 O ATOM 0 H GLY A 159 64.664 -3.413 8.876 1.00 1.04 H new ATOM 0 HA2 GLY A 159 63.759 -4.969 11.282 1.00 1.14 H new ATOM 0 HA3 GLY A 159 64.395 -3.336 11.299 1.00 1.14 H new ATOM 1165 N VAL A 160 61.710 -3.846 9.483 1.00 1.42 N ATOM 1166 CA VAL A 160 60.325 -3.340 9.255 1.00 1.48 C ATOM 1167 C VAL A 160 59.391 -4.502 8.906 1.00 1.88 C ATOM 1168 O VAL A 160 58.605 -4.945 9.720 1.00 2.37 O ATOM 1169 CB VAL A 160 60.450 -2.374 8.076 1.00 1.32 C ATOM 1170 CG1 VAL A 160 59.070 -2.115 7.469 1.00 1.35 C ATOM 1171 CG2 VAL A 160 61.046 -1.052 8.563 1.00 1.49 C ATOM 0 H VAL A 160 62.067 -4.473 8.762 1.00 1.42 H new ATOM 0 HA VAL A 160 59.908 -2.854 10.137 1.00 1.48 H new ATOM 0 HB VAL A 160 61.100 -2.813 7.319 1.00 1.32 H new ATOM 0 HG11 VAL A 160 59.165 -1.426 6.630 1.00 1.35 H new ATOM 0 HG12 VAL A 160 58.644 -3.056 7.120 1.00 1.35 H new ATOM 0 HG13 VAL A 160 58.416 -1.678 8.224 1.00 1.35 H new ATOM 0 HG21 VAL A 160 61.136 -0.362 7.724 1.00 1.49 H new ATOM 0 HG22 VAL A 160 60.396 -0.617 9.322 1.00 1.49 H new ATOM 0 HG23 VAL A 160 62.032 -1.233 8.991 1.00 1.49 H new ATOM 1181 N GLU A 161 59.468 -4.998 7.701 1.00 2.17 N ATOM 1182 CA GLU A 161 58.583 -6.130 7.304 1.00 2.67 C ATOM 1183 C GLU A 161 59.324 -7.461 7.463 1.00 3.21 C ATOM 1184 O GLU A 161 60.529 -7.471 7.280 1.00 3.74 O ATOM 1185 CB GLU A 161 58.248 -5.876 5.835 1.00 3.19 C ATOM 1186 CG GLU A 161 56.860 -6.440 5.524 1.00 3.64 C ATOM 1187 CD GLU A 161 56.800 -7.908 5.945 1.00 4.40 C ATOM 1188 OE1 GLU A 161 57.639 -8.669 5.493 1.00 4.73 O ATOM 1189 OE2 GLU A 161 55.915 -8.248 6.713 1.00 5.03 O ATOM 1190 OXT GLU A 161 58.671 -8.446 7.766 1.00 3.58 O ATOM 0 H GLU A 161 60.105 -4.669 6.975 1.00 2.17 H new ATOM 0 HA GLU A 161 57.687 -6.189 7.921 1.00 2.67 H new ATOM 0 HB2 GLU A 161 58.273 -4.807 5.625 1.00 3.19 H new ATOM 0 HB3 GLU A 161 58.995 -6.345 5.194 1.00 3.19 H new ATOM 0 HG2 GLU A 161 56.097 -5.868 6.052 1.00 3.64 H new ATOM 0 HG3 GLU A 161 56.648 -6.347 4.459 1.00 3.64 H new TER 1197 GLU A 161 HETATM 1198 CA CA A 1 62.892 7.566 -6.995 1.00 0.50 CA HETATM 1199 CA CA A 2 68.565 7.003 2.715 1.00 0.74 CA