USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=13 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 Set 1.1: A 122 GLN : amide:sc= -3.01! C(o=-3!,f=-2.7!) USER MOD Set 1.2: A 127 THR OG1 : rot 180:sc= 0 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+ 151:sc= -0.122 (180deg=-0.851) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0495 USER MOD Single : A 98 SER OG : rot -78:sc= 0.945 USER MOD Single : A 103 MET CE :methyl -179:sc= -0.439 (180deg=-0.491) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -6.11! C(o=-6.1!,f=-7.4!) 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 -166:sc= -8.21! (180deg=-8.39!) USER MOD Single : A 124 THR OG1 : rot -43:sc= 0.0262 USER MOD Single : A 129 THR OG1 : rot -170:sc= -1.24 USER MOD Single : A 137 MET CE :methyl -105:sc= -1.07 (180deg=-3.02!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -7.95! C(o=-8!,f=-14!) USER MOD Single : A 144 ASN : amide:sc=-0.000221 X(o=-0.00022,f=0) USER MOD Single : A 150 TYR OH : rot -10:sc=0.000637 USER MOD Single : A 157 MET CE :methyl -163:sc= -1.06 (180deg=-1.84) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 86 49.463 -18.304 10.403 1.00 7.24 N ATOM 2 CA LYS A 86 50.351 -18.524 9.223 1.00 7.10 C ATOM 3 C LYS A 86 49.905 -17.642 8.054 1.00 6.94 C ATOM 4 O LYS A 86 48.901 -17.897 7.419 1.00 7.49 O ATOM 5 CB LYS A 86 50.189 -20.004 8.868 1.00 7.61 C ATOM 6 CG LYS A 86 51.493 -20.532 8.266 1.00 8.01 C ATOM 7 CD LYS A 86 52.405 -21.039 9.386 1.00 8.72 C ATOM 8 CE LYS A 86 53.507 -20.011 9.651 1.00 9.14 C ATOM 9 NZ LYS A 86 53.708 -20.039 11.127 1.00 9.95 N ATOM 0 HA LYS A 86 51.389 -18.269 9.438 1.00 7.10 H new ATOM 0 HB2 LYS A 86 49.930 -20.576 9.759 1.00 7.61 H new ATOM 0 HB3 LYS A 86 49.371 -20.131 8.159 1.00 7.61 H new ATOM 0 HG2 LYS A 86 51.281 -21.337 7.563 1.00 8.01 H new ATOM 0 HG3 LYS A 86 51.993 -19.742 7.705 1.00 8.01 H new ATOM 0 HD2 LYS A 86 51.825 -21.208 10.293 1.00 8.72 H new ATOM 0 HD3 LYS A 86 52.845 -21.996 9.106 1.00 8.72 H new ATOM 0 HE2 LYS A 86 54.424 -20.270 9.122 1.00 9.14 H new ATOM 0 HE3 LYS A 86 53.212 -19.018 9.311 1.00 9.14 H new ATOM 0 HZ1 LYS A 86 54.450 -19.359 11.389 1.00 9.95 H new ATOM 0 HZ2 LYS A 86 52.820 -19.783 11.603 1.00 9.95 H new ATOM 0 HZ3 LYS A 86 53.995 -20.995 11.420 1.00 9.95 H new ATOM 25 N ASP A 87 50.643 -16.605 7.766 1.00 6.50 N ATOM 26 CA ASP A 87 50.262 -15.707 6.638 1.00 6.70 C ATOM 27 C ASP A 87 51.515 -15.115 5.988 1.00 6.03 C ATOM 28 O ASP A 87 51.452 -14.136 5.273 1.00 6.49 O ATOM 29 CB ASP A 87 49.417 -14.605 7.277 1.00 7.25 C ATOM 30 CG ASP A 87 48.576 -13.916 6.201 1.00 7.77 C ATOM 31 OD1 ASP A 87 48.438 -14.485 5.130 1.00 8.12 O ATOM 32 OD2 ASP A 87 48.085 -12.831 6.465 1.00 8.06 O ATOM 0 H ASP A 87 51.494 -16.340 8.263 1.00 6.50 H new ATOM 0 HA ASP A 87 49.718 -16.235 5.855 1.00 6.70 H new ATOM 0 HB2 ASP A 87 48.769 -15.028 8.044 1.00 7.25 H new ATOM 0 HB3 ASP A 87 50.062 -13.878 7.770 1.00 7.25 H new ATOM 37 N ASP A 88 52.655 -15.703 6.232 1.00 5.23 N ATOM 38 CA ASP A 88 53.912 -15.174 5.627 1.00 5.00 C ATOM 39 C ASP A 88 54.826 -16.330 5.212 1.00 4.51 C ATOM 40 O ASP A 88 54.856 -16.729 4.065 1.00 4.82 O ATOM 41 CB ASP A 88 54.565 -14.346 6.734 1.00 5.14 C ATOM 42 CG ASP A 88 54.561 -12.869 6.338 1.00 5.52 C ATOM 43 OD1 ASP A 88 53.849 -12.527 5.408 1.00 5.82 O ATOM 44 OD2 ASP A 88 55.270 -12.104 6.972 1.00 5.85 O ATOM 0 H ASP A 88 52.771 -16.526 6.823 1.00 5.23 H new ATOM 0 HA ASP A 88 53.723 -14.582 4.732 1.00 5.00 H new ATOM 0 HB2 ASP A 88 54.026 -14.483 7.671 1.00 5.14 H new ATOM 0 HB3 ASP A 88 55.587 -14.686 6.902 1.00 5.14 H new ATOM 49 N SER A 89 55.571 -16.872 6.137 1.00 4.24 N ATOM 50 CA SER A 89 56.481 -18.003 5.794 1.00 4.26 C ATOM 51 C SER A 89 57.449 -17.588 4.682 1.00 3.50 C ATOM 52 O SER A 89 57.506 -18.201 3.635 1.00 3.81 O ATOM 53 CB SER A 89 55.558 -19.119 5.312 1.00 5.08 C ATOM 54 OG SER A 89 55.801 -20.293 6.076 1.00 5.76 O ATOM 0 H SER A 89 55.589 -16.581 7.114 1.00 4.24 H new ATOM 0 HA SER A 89 57.090 -18.315 6.643 1.00 4.26 H new ATOM 0 HB2 SER A 89 54.516 -18.814 5.414 1.00 5.08 H new ATOM 0 HB3 SER A 89 55.730 -19.318 4.254 1.00 5.08 H new ATOM 0 HG SER A 89 55.208 -21.011 5.770 1.00 5.76 H new ATOM 60 N LYS A 90 58.212 -16.551 4.903 1.00 3.10 N ATOM 61 CA LYS A 90 59.176 -16.099 3.859 1.00 3.08 C ATOM 62 C LYS A 90 58.521 -16.134 2.476 1.00 2.72 C ATOM 63 O LYS A 90 57.318 -16.022 2.344 1.00 3.21 O ATOM 64 CB LYS A 90 60.333 -17.098 3.928 1.00 3.94 C ATOM 65 CG LYS A 90 60.941 -17.078 5.331 1.00 4.74 C ATOM 66 CD LYS A 90 60.731 -18.438 6.000 1.00 5.61 C ATOM 67 CE LYS A 90 61.008 -18.316 7.500 1.00 6.53 C ATOM 68 NZ LYS A 90 59.848 -17.558 8.047 1.00 7.32 N ATOM 0 H LYS A 90 58.209 -15.998 5.760 1.00 3.10 H new ATOM 0 HA LYS A 90 59.509 -15.074 4.025 1.00 3.08 H new ATOM 0 HB2 LYS A 90 59.977 -18.100 3.689 1.00 3.94 H new ATOM 0 HB3 LYS A 90 61.092 -16.844 3.188 1.00 3.94 H new ATOM 0 HG2 LYS A 90 62.005 -16.850 5.274 1.00 4.74 H new ATOM 0 HG3 LYS A 90 60.478 -16.292 5.928 1.00 4.74 H new ATOM 0 HD2 LYS A 90 59.710 -18.783 5.835 1.00 5.61 H new ATOM 0 HD3 LYS A 90 61.394 -19.180 5.556 1.00 5.61 H new ATOM 0 HE2 LYS A 90 61.093 -19.297 7.966 1.00 6.53 H new ATOM 0 HE3 LYS A 90 61.945 -17.792 7.687 1.00 6.53 H new ATOM 0 HZ1 LYS A 90 59.687 -17.836 9.036 1.00 7.32 H new ATOM 0 HZ2 LYS A 90 60.047 -16.538 8.002 1.00 7.32 H new ATOM 0 HZ3 LYS A 90 58.999 -17.770 7.485 1.00 7.32 H new ATOM 82 N GLY A 91 59.304 -16.287 1.444 1.00 2.57 N ATOM 83 CA GLY A 91 58.729 -16.328 0.070 1.00 2.96 C ATOM 84 C GLY A 91 59.544 -15.419 -0.851 1.00 2.68 C ATOM 85 O GLY A 91 59.625 -15.638 -2.043 1.00 2.94 O ATOM 0 H GLY A 91 60.318 -16.385 1.493 1.00 2.57 H new ATOM 0 HA2 GLY A 91 58.738 -17.350 -0.309 1.00 2.96 H new ATOM 0 HA3 GLY A 91 57.688 -16.004 0.090 1.00 2.96 H new ATOM 89 N LYS A 92 60.148 -14.398 -0.307 1.00 2.54 N ATOM 90 CA LYS A 92 60.957 -13.472 -1.152 1.00 2.34 C ATOM 91 C LYS A 92 62.278 -13.138 -0.454 1.00 2.22 C ATOM 92 O LYS A 92 62.444 -12.073 0.109 1.00 2.57 O ATOM 93 CB LYS A 92 60.096 -12.218 -1.299 1.00 2.51 C ATOM 94 CG LYS A 92 59.748 -11.675 0.088 1.00 2.46 C ATOM 95 CD LYS A 92 59.758 -10.147 0.055 1.00 2.69 C ATOM 96 CE LYS A 92 58.437 -9.643 -0.527 1.00 2.82 C ATOM 97 NZ LYS A 92 57.828 -8.821 0.556 1.00 3.39 N ATOM 0 H LYS A 92 60.117 -14.164 0.685 1.00 2.54 H new ATOM 0 HA LYS A 92 61.210 -13.908 -2.118 1.00 2.34 H new ATOM 0 HB2 LYS A 92 60.631 -11.462 -1.874 1.00 2.51 H new ATOM 0 HB3 LYS A 92 59.185 -12.452 -1.849 1.00 2.51 H new ATOM 0 HG2 LYS A 92 58.767 -12.036 0.396 1.00 2.46 H new ATOM 0 HG3 LYS A 92 60.466 -12.038 0.823 1.00 2.46 H new ATOM 0 HD2 LYS A 92 59.899 -9.751 1.061 1.00 2.69 H new ATOM 0 HD3 LYS A 92 60.593 -9.791 -0.548 1.00 2.69 H new ATOM 0 HE2 LYS A 92 58.603 -9.050 -1.427 1.00 2.82 H new ATOM 0 HE3 LYS A 92 57.787 -10.472 -0.806 1.00 2.82 H new ATOM 0 HZ1 LYS A 92 56.916 -8.440 0.232 1.00 3.39 H new ATOM 0 HZ2 LYS A 92 57.676 -9.413 1.397 1.00 3.39 H new ATOM 0 HZ3 LYS A 92 58.466 -8.036 0.796 1.00 3.39 H new ATOM 111 N THR A 93 63.217 -14.040 -0.484 1.00 1.93 N ATOM 112 CA THR A 93 64.526 -13.780 0.179 1.00 1.88 C ATOM 113 C THR A 93 65.062 -12.405 -0.223 1.00 1.62 C ATOM 114 O THR A 93 64.456 -11.689 -0.997 1.00 1.47 O ATOM 115 CB THR A 93 65.452 -14.887 -0.327 1.00 1.99 C ATOM 116 OG1 THR A 93 65.135 -15.189 -1.679 1.00 2.05 O ATOM 117 CG2 THR A 93 65.270 -16.137 0.535 1.00 2.53 C ATOM 0 H THR A 93 63.135 -14.949 -0.940 1.00 1.93 H new ATOM 0 HA THR A 93 64.445 -13.781 1.266 1.00 1.88 H new ATOM 0 HB THR A 93 66.488 -14.553 -0.265 1.00 1.99 H new ATOM 0 HG1 THR A 93 65.729 -15.897 -2.004 1.00 2.05 H new ATOM 0 HG21 THR A 93 65.930 -16.926 0.175 1.00 2.53 H new ATOM 0 HG22 THR A 93 65.515 -15.903 1.571 1.00 2.53 H new ATOM 0 HG23 THR A 93 64.235 -16.473 0.474 1.00 2.53 H new ATOM 125 N GLU A 94 66.195 -12.032 0.301 1.00 1.64 N ATOM 126 CA GLU A 94 66.778 -10.702 -0.042 1.00 1.49 C ATOM 127 C GLU A 94 66.909 -10.550 -1.560 1.00 1.41 C ATOM 128 O GLU A 94 67.025 -9.456 -2.075 1.00 1.36 O ATOM 129 CB GLU A 94 68.158 -10.692 0.619 1.00 1.64 C ATOM 130 CG GLU A 94 68.059 -10.038 1.998 1.00 1.85 C ATOM 131 CD GLU A 94 67.287 -10.957 2.947 1.00 2.27 C ATOM 132 OE1 GLU A 94 66.073 -10.841 2.994 1.00 2.65 O ATOM 133 OE2 GLU A 94 67.921 -11.761 3.609 1.00 2.83 O ATOM 0 H GLU A 94 66.745 -12.591 0.954 1.00 1.64 H new ATOM 0 HA GLU A 94 66.153 -9.879 0.303 1.00 1.49 H new ATOM 0 HB2 GLU A 94 68.535 -11.710 0.714 1.00 1.64 H new ATOM 0 HB3 GLU A 94 68.867 -10.147 -0.004 1.00 1.64 H new ATOM 0 HG2 GLU A 94 69.057 -9.846 2.393 1.00 1.85 H new ATOM 0 HG3 GLU A 94 67.556 -9.074 1.919 1.00 1.85 H new ATOM 140 N GLU A 95 66.891 -11.638 -2.281 1.00 1.47 N ATOM 141 CA GLU A 95 67.015 -11.547 -3.765 1.00 1.49 C ATOM 142 C GLU A 95 65.721 -10.996 -4.371 1.00 1.39 C ATOM 143 O GLU A 95 65.743 -10.226 -5.310 1.00 1.40 O ATOM 144 CB GLU A 95 67.260 -12.982 -4.235 1.00 1.68 C ATOM 145 CG GLU A 95 68.444 -13.006 -5.204 1.00 2.03 C ATOM 146 CD GLU A 95 67.979 -12.558 -6.591 1.00 2.24 C ATOM 147 OE1 GLU A 95 67.051 -11.768 -6.657 1.00 2.56 O ATOM 148 OE2 GLU A 95 68.558 -13.011 -7.564 1.00 2.72 O ATOM 0 H GLU A 95 66.796 -12.583 -1.909 1.00 1.47 H new ATOM 0 HA GLU A 95 67.819 -10.878 -4.070 1.00 1.49 H new ATOM 0 HB2 GLU A 95 67.463 -13.626 -3.380 1.00 1.68 H new ATOM 0 HB3 GLU A 95 66.368 -13.373 -4.724 1.00 1.68 H new ATOM 0 HG2 GLU A 95 69.235 -12.348 -4.844 1.00 2.03 H new ATOM 0 HG3 GLU A 95 68.864 -14.010 -5.257 1.00 2.03 H new ATOM 155 N GLU A 96 64.593 -11.384 -3.841 1.00 1.38 N ATOM 156 CA GLU A 96 63.302 -10.880 -4.389 1.00 1.34 C ATOM 157 C GLU A 96 63.063 -9.438 -3.933 1.00 1.16 C ATOM 158 O GLU A 96 62.184 -8.759 -4.424 1.00 1.07 O ATOM 159 CB GLU A 96 62.234 -11.812 -3.814 1.00 1.51 C ATOM 160 CG GLU A 96 62.275 -13.151 -4.553 1.00 2.07 C ATOM 161 CD GLU A 96 61.434 -13.056 -5.827 1.00 2.19 C ATOM 162 OE1 GLU A 96 61.922 -12.498 -6.796 1.00 2.60 O ATOM 163 OE2 GLU A 96 60.315 -13.542 -5.812 1.00 2.61 O ATOM 0 H GLU A 96 64.510 -12.027 -3.054 1.00 1.38 H new ATOM 0 HA GLU A 96 63.289 -10.874 -5.479 1.00 1.34 H new ATOM 0 HB2 GLU A 96 62.406 -11.967 -2.749 1.00 1.51 H new ATOM 0 HB3 GLU A 96 61.248 -11.359 -3.915 1.00 1.51 H new ATOM 0 HG2 GLU A 96 63.304 -13.410 -4.802 1.00 2.07 H new ATOM 0 HG3 GLU A 96 61.893 -13.945 -3.911 1.00 2.07 H new ATOM 170 N LEU A 97 63.842 -8.966 -2.998 1.00 1.14 N ATOM 171 CA LEU A 97 63.662 -7.566 -2.516 1.00 0.99 C ATOM 172 C LEU A 97 64.273 -6.584 -3.518 1.00 0.82 C ATOM 173 O LEU A 97 63.721 -5.536 -3.790 1.00 0.70 O ATOM 174 CB LEU A 97 64.406 -7.506 -1.182 1.00 1.03 C ATOM 175 CG LEU A 97 63.403 -7.609 -0.033 1.00 1.31 C ATOM 176 CD1 LEU A 97 64.102 -8.169 1.208 1.00 1.57 C ATOM 177 CD2 LEU A 97 62.845 -6.219 0.282 1.00 1.71 C ATOM 0 H LEU A 97 64.594 -9.488 -2.548 1.00 1.14 H new ATOM 0 HA LEU A 97 62.611 -7.297 -2.406 1.00 0.99 H new ATOM 0 HB2 LEU A 97 65.130 -8.318 -1.121 1.00 1.03 H new ATOM 0 HB3 LEU A 97 64.966 -6.574 -1.107 1.00 1.03 H new ATOM 0 HG LEU A 97 62.588 -8.273 -0.322 1.00 1.31 H new ATOM 0 HD11 LEU A 97 63.386 -8.242 2.027 1.00 1.57 H new ATOM 0 HD12 LEU A 97 64.501 -9.159 0.985 1.00 1.57 H new ATOM 0 HD13 LEU A 97 64.917 -7.506 1.497 1.00 1.57 H new ATOM 0 HD21 LEU A 97 62.130 -6.291 1.101 1.00 1.71 H new ATOM 0 HD22 LEU A 97 63.661 -5.556 0.570 1.00 1.71 H new ATOM 0 HD23 LEU A 97 62.347 -5.818 -0.601 1.00 1.71 H new ATOM 189 N SER A 98 65.407 -6.915 -4.074 1.00 0.87 N ATOM 190 CA SER A 98 66.043 -5.999 -5.062 1.00 0.78 C ATOM 191 C SER A 98 65.025 -5.607 -6.133 1.00 0.75 C ATOM 192 O SER A 98 64.815 -4.443 -6.409 1.00 0.74 O ATOM 193 CB SER A 98 67.187 -6.806 -5.676 1.00 0.93 C ATOM 194 OG SER A 98 66.652 -7.921 -6.376 1.00 1.41 O ATOM 0 H SER A 98 65.919 -7.777 -3.887 1.00 0.87 H new ATOM 0 HA SER A 98 66.401 -5.077 -4.605 1.00 0.78 H new ATOM 0 HB2 SER A 98 67.766 -6.180 -6.355 1.00 0.93 H new ATOM 0 HB3 SER A 98 67.868 -7.145 -4.895 1.00 0.93 H new ATOM 0 HG SER A 98 66.402 -8.620 -5.736 1.00 1.41 H new ATOM 200 N ASP A 99 64.381 -6.573 -6.732 1.00 0.80 N ATOM 201 CA ASP A 99 63.368 -6.255 -7.776 1.00 0.82 C ATOM 202 C ASP A 99 62.187 -5.521 -7.137 1.00 0.77 C ATOM 203 O ASP A 99 61.490 -4.762 -7.780 1.00 0.77 O ATOM 204 CB ASP A 99 62.923 -7.609 -8.328 1.00 0.93 C ATOM 205 CG ASP A 99 64.120 -8.321 -8.961 1.00 1.45 C ATOM 206 OD1 ASP A 99 64.862 -7.668 -9.677 1.00 1.92 O ATOM 207 OD2 ASP A 99 64.274 -9.507 -8.722 1.00 2.18 O ATOM 0 H ASP A 99 64.513 -7.567 -6.543 1.00 0.80 H new ATOM 0 HA ASP A 99 63.765 -5.612 -8.562 1.00 0.82 H new ATOM 0 HB2 ASP A 99 62.504 -8.220 -7.528 1.00 0.93 H new ATOM 0 HB3 ASP A 99 62.135 -7.471 -9.069 1.00 0.93 H new ATOM 212 N LEU A 100 61.965 -5.742 -5.870 1.00 0.77 N ATOM 213 CA LEU A 100 60.838 -5.056 -5.176 1.00 0.77 C ATOM 214 C LEU A 100 61.198 -3.591 -4.922 1.00 0.64 C ATOM 215 O LEU A 100 60.350 -2.772 -4.631 1.00 0.64 O ATOM 216 CB LEU A 100 60.675 -5.810 -3.855 1.00 0.85 C ATOM 217 CG LEU A 100 59.188 -5.967 -3.532 1.00 1.16 C ATOM 218 CD1 LEU A 100 58.576 -4.592 -3.266 1.00 1.54 C ATOM 219 CD2 LEU A 100 58.475 -6.623 -4.716 1.00 1.57 C ATOM 0 H LEU A 100 62.516 -6.369 -5.284 1.00 0.77 H new ATOM 0 HA LEU A 100 59.919 -5.061 -5.762 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.148 -6.790 -3.923 1.00 0.85 H new ATOM 0 HB3 LEU A 100 61.176 -5.270 -3.052 1.00 0.85 H new ATOM 0 HG LEU A 100 59.073 -6.593 -2.647 1.00 1.16 H new ATOM 0 HD11 LEU A 100 57.516 -4.704 -3.036 1.00 1.54 H new ATOM 0 HD12 LEU A 100 59.083 -4.125 -2.422 1.00 1.54 H new ATOM 0 HD13 LEU A 100 58.691 -3.965 -4.150 1.00 1.54 H new ATOM 0 HD21 LEU A 100 57.415 -6.735 -4.486 1.00 1.57 H new ATOM 0 HD22 LEU A 100 58.590 -5.998 -5.602 1.00 1.57 H new ATOM 0 HD23 LEU A 100 58.911 -7.604 -4.905 1.00 1.57 H new ATOM 231 N PHE A 101 62.455 -3.257 -5.035 1.00 0.60 N ATOM 232 CA PHE A 101 62.879 -1.847 -4.805 1.00 0.53 C ATOM 233 C PHE A 101 62.817 -1.060 -6.117 1.00 0.49 C ATOM 234 O PHE A 101 62.447 0.098 -6.141 1.00 0.61 O ATOM 235 CB PHE A 101 64.323 -1.949 -4.304 1.00 0.57 C ATOM 236 CG PHE A 101 65.003 -0.605 -4.430 1.00 0.46 C ATOM 237 CD1 PHE A 101 65.542 -0.207 -5.659 1.00 1.31 C ATOM 238 CD2 PHE A 101 65.097 0.240 -3.317 1.00 1.23 C ATOM 239 CE1 PHE A 101 66.173 1.036 -5.776 1.00 1.30 C ATOM 240 CE2 PHE A 101 65.728 1.483 -3.435 1.00 1.23 C ATOM 241 CZ PHE A 101 66.267 1.882 -4.664 1.00 0.40 C ATOM 0 H PHE A 101 63.208 -3.901 -5.277 1.00 0.60 H new ATOM 0 HA PHE A 101 62.237 -1.328 -4.093 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.335 -2.277 -3.265 1.00 0.57 H new ATOM 0 HB3 PHE A 101 64.866 -2.697 -4.881 1.00 0.57 H new ATOM 0 HD1 PHE A 101 65.471 -0.859 -6.517 1.00 1.31 H new ATOM 0 HD2 PHE A 101 64.683 -0.068 -2.368 1.00 1.23 H new ATOM 0 HE1 PHE A 101 66.588 1.343 -6.725 1.00 1.30 H new ATOM 0 HE2 PHE A 101 65.799 2.135 -2.577 1.00 1.23 H new ATOM 0 HZ PHE A 101 66.755 2.841 -4.754 1.00 0.40 H new ATOM 251 N ARG A 102 63.175 -1.678 -7.208 1.00 0.53 N ATOM 252 CA ARG A 102 63.136 -0.965 -8.517 1.00 0.70 C ATOM 253 C ARG A 102 61.709 -0.955 -9.070 1.00 0.80 C ATOM 254 O ARG A 102 61.297 -0.025 -9.735 1.00 1.09 O ATOM 255 CB ARG A 102 64.059 -1.767 -9.435 1.00 0.87 C ATOM 256 CG ARG A 102 64.529 -0.878 -10.588 1.00 1.28 C ATOM 257 CD ARG A 102 64.606 -1.705 -11.873 1.00 1.83 C ATOM 258 NE ARG A 102 65.986 -2.265 -11.887 1.00 2.26 N ATOM 259 CZ ARG A 102 66.337 -3.113 -12.815 1.00 2.89 C ATOM 260 NH1 ARG A 102 65.900 -2.961 -14.036 1.00 3.22 N ATOM 261 NH2 ARG A 102 67.125 -4.111 -12.523 1.00 3.68 N ATOM 0 H ARG A 102 63.493 -2.646 -7.251 1.00 0.53 H new ATOM 0 HA ARG A 102 63.452 0.075 -8.429 1.00 0.70 H new ATOM 0 HB2 ARG A 102 64.917 -2.136 -8.873 1.00 0.87 H new ATOM 0 HB3 ARG A 102 63.534 -2.639 -9.825 1.00 0.87 H new ATOM 0 HG2 ARG A 102 63.841 -0.043 -10.721 1.00 1.28 H new ATOM 0 HG3 ARG A 102 65.506 -0.452 -10.358 1.00 1.28 H new ATOM 0 HD2 ARG A 102 63.858 -2.498 -11.878 1.00 1.83 H new ATOM 0 HD3 ARG A 102 64.421 -1.087 -12.752 1.00 1.83 H new ATOM 0 HE ARG A 102 66.657 -1.986 -11.171 1.00 2.26 H new ATOM 0 HH11 ARG A 102 65.285 -2.180 -14.264 1.00 3.22 H new ATOM 0 HH12 ARG A 102 66.174 -3.623 -14.762 1.00 3.22 H new ATOM 0 HH21 ARG A 102 67.467 -4.229 -11.569 1.00 3.68 H new ATOM 0 HH22 ARG A 102 67.399 -4.774 -13.248 1.00 3.68 H new ATOM 275 N MET A 103 60.951 -1.982 -8.802 1.00 0.68 N ATOM 276 CA MET A 103 59.551 -2.027 -9.312 1.00 0.81 C ATOM 277 C MET A 103 58.704 -0.953 -8.626 1.00 0.79 C ATOM 278 O MET A 103 57.692 -0.523 -9.142 1.00 0.90 O ATOM 279 CB MET A 103 59.042 -3.424 -8.952 1.00 0.91 C ATOM 280 CG MET A 103 57.814 -3.754 -9.803 1.00 1.35 C ATOM 281 SD MET A 103 56.533 -4.491 -8.758 1.00 1.92 S ATOM 282 CE MET A 103 57.442 -5.988 -8.304 1.00 1.63 C ATOM 0 H MET A 103 61.240 -2.791 -8.253 1.00 0.68 H new ATOM 0 HA MET A 103 59.496 -1.838 -10.384 1.00 0.81 H new ATOM 0 HB2 MET A 103 59.825 -4.163 -9.122 1.00 0.91 H new ATOM 0 HB3 MET A 103 58.787 -3.468 -7.893 1.00 0.91 H new ATOM 0 HG2 MET A 103 57.434 -2.849 -10.278 1.00 1.35 H new ATOM 0 HG3 MET A 103 58.087 -4.443 -10.602 1.00 1.35 H new ATOM 0 HE1 MET A 103 56.819 -6.611 -7.662 1.00 1.63 H new ATOM 0 HE2 MET A 103 57.703 -6.543 -9.205 1.00 1.63 H new ATOM 0 HE3 MET A 103 58.352 -5.713 -7.771 1.00 1.63 H new ATOM 292 N PHE A 104 59.109 -0.518 -7.464 1.00 0.71 N ATOM 293 CA PHE A 104 58.326 0.528 -6.745 1.00 0.75 C ATOM 294 C PHE A 104 58.985 1.899 -6.919 1.00 0.68 C ATOM 295 O PHE A 104 58.535 2.888 -6.375 1.00 0.80 O ATOM 296 CB PHE A 104 58.350 0.101 -5.277 1.00 0.76 C ATOM 297 CG PHE A 104 57.260 -0.914 -5.031 1.00 1.03 C ATOM 298 CD1 PHE A 104 57.424 -2.236 -5.461 1.00 1.67 C ATOM 299 CD2 PHE A 104 56.085 -0.533 -4.374 1.00 1.71 C ATOM 300 CE1 PHE A 104 56.413 -3.177 -5.234 1.00 1.90 C ATOM 301 CE2 PHE A 104 55.074 -1.473 -4.145 1.00 2.03 C ATOM 302 CZ PHE A 104 55.237 -2.796 -4.575 1.00 1.76 C ATOM 0 H PHE A 104 59.948 -0.841 -6.981 1.00 0.71 H new ATOM 0 HA PHE A 104 57.309 0.617 -7.127 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.322 -0.325 -5.027 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.207 0.968 -4.632 1.00 0.76 H new ATOM 0 HD1 PHE A 104 58.331 -2.530 -5.968 1.00 1.67 H new ATOM 0 HD2 PHE A 104 55.958 0.487 -4.043 1.00 1.71 H new ATOM 0 HE1 PHE A 104 56.540 -4.197 -5.567 1.00 1.90 H new ATOM 0 HE2 PHE A 104 54.168 -1.178 -3.637 1.00 2.03 H new ATOM 0 HZ PHE A 104 54.457 -3.522 -4.399 1.00 1.76 H new ATOM 312 N ASP A 105 60.047 1.967 -7.674 1.00 0.58 N ATOM 313 CA ASP A 105 60.732 3.276 -7.882 1.00 0.52 C ATOM 314 C ASP A 105 59.959 4.119 -8.900 1.00 0.52 C ATOM 315 O ASP A 105 60.329 4.210 -10.053 1.00 0.60 O ATOM 316 CB ASP A 105 62.117 2.919 -8.422 1.00 0.60 C ATOM 317 CG ASP A 105 63.055 4.118 -8.263 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.637 5.098 -7.666 1.00 0.48 O ATOM 319 OD2 ASP A 105 64.175 4.037 -8.741 1.00 0.54 O ATOM 0 H ASP A 105 60.470 1.174 -8.156 1.00 0.58 H new ATOM 0 HA ASP A 105 60.793 3.861 -6.964 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.517 2.058 -7.886 1.00 0.60 H new ATOM 0 HB3 ASP A 105 62.047 2.636 -9.472 1.00 0.60 H new ATOM 324 N LYS A 106 58.888 4.738 -8.481 1.00 0.51 N ATOM 325 CA LYS A 106 58.097 5.575 -9.427 1.00 0.60 C ATOM 326 C LYS A 106 59.000 6.621 -10.081 1.00 0.59 C ATOM 327 O LYS A 106 58.861 6.935 -11.247 1.00 0.70 O ATOM 328 CB LYS A 106 57.027 6.250 -8.567 1.00 0.63 C ATOM 329 CG LYS A 106 55.905 6.770 -9.466 1.00 1.39 C ATOM 330 CD LYS A 106 55.632 8.242 -9.149 1.00 1.58 C ATOM 331 CE LYS A 106 55.270 8.390 -7.668 1.00 2.00 C ATOM 332 NZ LYS A 106 54.551 9.691 -7.578 1.00 2.79 N ATOM 0 H LYS A 106 58.528 4.700 -7.527 1.00 0.51 H new ATOM 0 HA LYS A 106 57.656 4.986 -10.231 1.00 0.60 H new ATOM 0 HB2 LYS A 106 56.628 5.541 -7.842 1.00 0.63 H new ATOM 0 HB3 LYS A 106 57.465 7.072 -8.001 1.00 0.63 H new ATOM 0 HG2 LYS A 106 56.184 6.659 -10.514 1.00 1.39 H new ATOM 0 HG3 LYS A 106 55.001 6.181 -9.313 1.00 1.39 H new ATOM 0 HD2 LYS A 106 56.511 8.843 -9.381 1.00 1.58 H new ATOM 0 HD3 LYS A 106 54.818 8.614 -9.772 1.00 1.58 H new ATOM 0 HE2 LYS A 106 54.641 7.566 -7.331 1.00 2.00 H new ATOM 0 HE3 LYS A 106 56.162 8.387 -7.041 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 54.270 9.865 -6.592 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 55.177 10.457 -7.899 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 53.703 9.662 -8.180 1.00 2.79 H new ATOM 346 N ASN A 107 59.928 7.163 -9.341 1.00 0.53 N ATOM 347 CA ASN A 107 60.841 8.188 -9.927 1.00 0.59 C ATOM 348 C ASN A 107 61.835 7.517 -10.879 1.00 0.60 C ATOM 349 O ASN A 107 62.333 8.128 -11.804 1.00 0.71 O ATOM 350 CB ASN A 107 61.567 8.800 -8.729 1.00 0.62 C ATOM 351 CG ASN A 107 62.807 9.555 -9.211 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.799 9.623 -8.513 1.00 1.50 O ATOM 353 ND2 ASN A 107 62.793 10.129 -10.383 1.00 1.67 N ATOM 0 H ASN A 107 60.094 6.942 -8.359 1.00 0.53 H new ATOM 0 HA ASN A 107 60.307 8.943 -10.505 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.901 9.478 -8.195 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.855 8.017 -8.027 1.00 0.62 H new ATOM 0 HD21 ASN A 107 63.615 10.635 -10.713 1.00 1.67 H new ATOM 0 HD22 ASN A 107 61.960 10.072 -10.969 1.00 1.67 H new ATOM 360 N ALA A 108 62.125 6.265 -10.659 1.00 0.56 N ATOM 361 CA ALA A 108 63.085 5.552 -11.550 1.00 0.62 C ATOM 362 C ALA A 108 64.432 6.280 -11.576 1.00 0.64 C ATOM 363 O ALA A 108 64.822 6.847 -12.578 1.00 0.78 O ATOM 364 CB ALA A 108 62.434 5.581 -12.933 1.00 0.72 C ATOM 0 H ALA A 108 61.739 5.703 -9.900 1.00 0.56 H new ATOM 0 HA ALA A 108 63.284 4.535 -11.211 1.00 0.62 H new ATOM 0 HB1 ALA A 108 63.080 5.074 -13.650 1.00 0.72 H new ATOM 0 HB2 ALA A 108 61.470 5.074 -12.892 1.00 0.72 H new ATOM 0 HB3 ALA A 108 62.287 6.615 -13.244 1.00 0.72 H new ATOM 370 N ASP A 109 65.147 6.268 -10.484 1.00 0.57 N ATOM 371 CA ASP A 109 66.467 6.960 -10.452 1.00 0.63 C ATOM 372 C ASP A 109 67.459 6.171 -9.591 1.00 0.63 C ATOM 373 O ASP A 109 68.509 6.662 -9.231 1.00 0.76 O ATOM 374 CB ASP A 109 66.183 8.327 -9.829 1.00 0.62 C ATOM 375 CG ASP A 109 65.927 8.163 -8.331 1.00 0.70 C ATOM 376 OD1 ASP A 109 64.902 7.601 -7.983 1.00 0.75 O ATOM 377 OD2 ASP A 109 66.759 8.603 -7.555 1.00 1.20 O ATOM 0 H ASP A 109 64.875 5.810 -9.614 1.00 0.57 H new ATOM 0 HA ASP A 109 66.910 7.049 -11.444 1.00 0.63 H new ATOM 0 HB2 ASP A 109 67.028 8.996 -9.993 1.00 0.62 H new ATOM 0 HB3 ASP A 109 65.317 8.784 -10.309 1.00 0.62 H new ATOM 382 N GLY A 110 67.132 4.951 -9.257 1.00 0.58 N ATOM 383 CA GLY A 110 68.056 4.135 -8.419 1.00 0.62 C ATOM 384 C GLY A 110 67.719 4.341 -6.943 1.00 0.54 C ATOM 385 O GLY A 110 68.188 3.623 -6.082 1.00 0.57 O ATOM 0 H GLY A 110 66.266 4.485 -9.528 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.966 3.081 -8.680 1.00 0.62 H new ATOM 0 HA3 GLY A 110 69.089 4.424 -8.611 1.00 0.62 H new ATOM 389 N TYR A 111 66.905 5.315 -6.643 1.00 0.50 N ATOM 390 CA TYR A 111 66.532 5.568 -5.222 1.00 0.48 C ATOM 391 C TYR A 111 65.055 5.956 -5.133 1.00 0.42 C ATOM 392 O TYR A 111 64.413 6.215 -6.130 1.00 0.52 O ATOM 393 CB TYR A 111 67.419 6.731 -4.779 1.00 0.52 C ATOM 394 CG TYR A 111 68.870 6.381 -5.017 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.433 6.561 -6.285 1.00 1.36 C ATOM 396 CD2 TYR A 111 69.650 5.881 -3.969 1.00 1.38 C ATOM 397 CE1 TYR A 111 70.779 6.240 -6.505 1.00 1.40 C ATOM 398 CE2 TYR A 111 70.996 5.560 -4.188 1.00 1.46 C ATOM 399 CZ TYR A 111 71.559 5.740 -5.457 1.00 0.83 C ATOM 400 OH TYR A 111 72.885 5.424 -5.673 1.00 0.97 O ATOM 0 H TYR A 111 66.481 5.948 -7.321 1.00 0.50 H new ATOM 0 HA TYR A 111 66.672 4.689 -4.593 1.00 0.48 H new ATOM 0 HB2 TYR A 111 67.157 7.633 -5.332 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.255 6.945 -3.723 1.00 0.52 H new ATOM 0 HD1 TYR A 111 68.830 6.947 -7.094 1.00 1.36 H new ATOM 0 HD2 TYR A 111 69.214 5.742 -2.991 1.00 1.38 H new ATOM 0 HE1 TYR A 111 71.214 6.379 -7.484 1.00 1.40 H new ATOM 0 HE2 TYR A 111 71.598 5.174 -3.379 1.00 1.46 H new ATOM 0 HH TYR A 111 73.282 5.091 -4.841 1.00 0.97 H new ATOM 410 N ILE A 112 64.512 5.998 -3.949 1.00 0.36 N ATOM 411 CA ILE A 112 63.075 6.370 -3.804 1.00 0.32 C ATOM 412 C ILE A 112 62.894 7.402 -2.693 1.00 0.35 C ATOM 413 O ILE A 112 63.510 7.323 -1.650 1.00 0.43 O ATOM 414 CB ILE A 112 62.365 5.077 -3.450 1.00 0.32 C ATOM 415 CG1 ILE A 112 62.750 4.027 -4.499 1.00 0.40 C ATOM 416 CG2 ILE A 112 60.849 5.330 -3.456 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.581 3.083 -4.768 1.00 0.46 C ATOM 0 H ILE A 112 64.998 5.792 -3.077 1.00 0.36 H new ATOM 0 HA ILE A 112 62.678 6.819 -4.714 1.00 0.32 H new ATOM 0 HB ILE A 112 62.652 4.720 -2.461 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.046 4.521 -5.424 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.612 3.457 -4.152 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.325 4.408 -3.203 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.606 6.099 -2.723 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.540 5.663 -4.447 1.00 0.35 H new ATOM 0 HD11 ILE A 112 61.874 2.345 -5.515 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.304 2.574 -3.845 1.00 0.46 H new ATOM 0 HD13 ILE A 112 60.729 3.655 -5.137 1.00 0.46 H new ATOM 429 N ASP A 113 62.046 8.364 -2.907 1.00 0.36 N ATOM 430 CA ASP A 113 61.819 9.401 -1.859 1.00 0.44 C ATOM 431 C ASP A 113 60.578 9.051 -1.035 1.00 0.44 C ATOM 432 O ASP A 113 59.999 7.994 -1.186 1.00 0.60 O ATOM 433 CB ASP A 113 61.610 10.708 -2.625 1.00 0.56 C ATOM 434 CG ASP A 113 60.230 10.701 -3.284 1.00 0.94 C ATOM 435 OD1 ASP A 113 59.949 9.764 -4.012 1.00 1.58 O ATOM 436 OD2 ASP A 113 59.478 11.632 -3.049 1.00 1.53 O ATOM 0 H ASP A 113 61.499 8.480 -3.760 1.00 0.36 H new ATOM 0 HA ASP A 113 62.653 9.474 -1.161 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.696 11.557 -1.946 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.385 10.826 -3.382 1.00 0.56 H new ATOM 441 N LEU A 114 60.164 9.929 -0.163 1.00 0.47 N ATOM 442 CA LEU A 114 58.962 9.643 0.671 1.00 0.47 C ATOM 443 C LEU A 114 57.711 9.573 -0.209 1.00 0.50 C ATOM 444 O LEU A 114 56.923 8.654 -0.114 1.00 0.52 O ATOM 445 CB LEU A 114 58.866 10.816 1.646 1.00 0.57 C ATOM 446 CG LEU A 114 58.288 10.328 2.975 1.00 0.68 C ATOM 447 CD1 LEU A 114 58.471 11.413 4.038 1.00 1.36 C ATOM 448 CD2 LEU A 114 56.797 10.030 2.803 1.00 1.57 C ATOM 0 H LEU A 114 60.606 10.832 0.008 1.00 0.47 H new ATOM 0 HA LEU A 114 59.039 8.688 1.190 1.00 0.47 H new ATOM 0 HB2 LEU A 114 59.852 11.253 1.804 1.00 0.57 H new ATOM 0 HB3 LEU A 114 58.234 11.599 1.228 1.00 0.57 H new ATOM 0 HG LEU A 114 58.807 9.421 3.287 1.00 0.68 H new ATOM 0 HD11 LEU A 114 58.059 11.067 4.986 1.00 1.36 H new ATOM 0 HD12 LEU A 114 59.533 11.627 4.160 1.00 1.36 H new ATOM 0 HD13 LEU A 114 57.951 12.319 3.726 1.00 1.36 H new ATOM 0 HD21 LEU A 114 56.384 9.682 3.750 1.00 1.57 H new ATOM 0 HD22 LEU A 114 56.278 10.937 2.492 1.00 1.57 H new ATOM 0 HD23 LEU A 114 56.665 9.259 2.044 1.00 1.57 H new ATOM 460 N GLU A 115 57.525 10.539 -1.065 1.00 0.56 N ATOM 461 CA GLU A 115 56.326 10.531 -1.951 1.00 0.64 C ATOM 462 C GLU A 115 56.210 9.182 -2.670 1.00 0.56 C ATOM 463 O GLU A 115 55.145 8.603 -2.754 1.00 0.61 O ATOM 464 CB GLU A 115 56.572 11.655 -2.957 1.00 0.77 C ATOM 465 CG GLU A 115 55.238 12.285 -3.361 1.00 1.54 C ATOM 466 CD GLU A 115 55.350 13.809 -3.295 1.00 2.04 C ATOM 467 OE1 GLU A 115 55.207 14.348 -2.210 1.00 2.45 O ATOM 468 OE2 GLU A 115 55.579 14.412 -4.332 1.00 2.67 O ATOM 0 H GLU A 115 58.151 11.334 -1.190 1.00 0.56 H new ATOM 0 HA GLU A 115 55.399 10.676 -1.396 1.00 0.64 H new ATOM 0 HB2 GLU A 115 57.225 12.411 -2.520 1.00 0.77 H new ATOM 0 HB3 GLU A 115 57.082 11.263 -3.837 1.00 0.77 H new ATOM 0 HG2 GLU A 115 54.968 11.973 -4.370 1.00 1.54 H new ATOM 0 HG3 GLU A 115 54.445 11.939 -2.698 1.00 1.54 H new ATOM 475 N GLU A 116 57.298 8.679 -3.187 1.00 0.49 N ATOM 476 CA GLU A 116 57.251 7.368 -3.898 1.00 0.45 C ATOM 477 C GLU A 116 56.925 6.244 -2.910 1.00 0.43 C ATOM 478 O GLU A 116 56.099 5.393 -3.174 1.00 0.51 O ATOM 479 CB GLU A 116 58.654 7.183 -4.479 1.00 0.42 C ATOM 480 CG GLU A 116 58.847 8.131 -5.664 1.00 0.94 C ATOM 481 CD GLU A 116 60.332 8.195 -6.030 1.00 0.85 C ATOM 482 OE1 GLU A 116 60.919 7.144 -6.230 1.00 1.28 O ATOM 483 OE2 GLU A 116 60.856 9.294 -6.106 1.00 1.43 O ATOM 0 H GLU A 116 58.218 9.119 -3.148 1.00 0.49 H new ATOM 0 HA GLU A 116 56.484 7.343 -4.672 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.405 7.383 -3.714 1.00 0.42 H new ATOM 0 HB3 GLU A 116 58.793 6.151 -4.800 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.266 7.785 -6.519 1.00 0.94 H new ATOM 0 HG3 GLU A 116 58.481 9.126 -5.411 1.00 0.94 H new ATOM 490 N LEU A 117 57.566 6.235 -1.773 1.00 0.37 N ATOM 491 CA LEU A 117 57.289 5.167 -0.772 1.00 0.42 C ATOM 492 C LEU A 117 55.809 5.183 -0.383 1.00 0.50 C ATOM 493 O LEU A 117 55.246 4.175 -0.002 1.00 0.58 O ATOM 494 CB LEU A 117 58.166 5.513 0.431 1.00 0.43 C ATOM 495 CG LEU A 117 58.700 4.225 1.059 1.00 0.61 C ATOM 496 CD1 LEU A 117 60.126 4.454 1.562 1.00 0.90 C ATOM 497 CD2 LEU A 117 57.804 3.821 2.232 1.00 1.53 C ATOM 0 H LEU A 117 58.268 6.920 -1.495 1.00 0.37 H new ATOM 0 HA LEU A 117 57.506 4.171 -1.158 1.00 0.42 H new ATOM 0 HB2 LEU A 117 58.994 6.149 0.120 1.00 0.43 H new ATOM 0 HB3 LEU A 117 57.590 6.076 1.165 1.00 0.43 H new ATOM 0 HG LEU A 117 58.702 3.431 0.312 1.00 0.61 H new ATOM 0 HD11 LEU A 117 60.506 3.536 2.009 1.00 0.90 H new ATOM 0 HD12 LEU A 117 60.765 4.742 0.727 1.00 0.90 H new ATOM 0 HD13 LEU A 117 60.125 5.248 2.309 1.00 0.90 H new ATOM 0 HD21 LEU A 117 58.184 2.903 2.680 1.00 1.53 H new ATOM 0 HD22 LEU A 117 57.801 4.615 2.978 1.00 1.53 H new ATOM 0 HD23 LEU A 117 56.788 3.657 1.874 1.00 1.53 H new ATOM 509 N LYS A 118 55.174 6.319 -0.480 1.00 0.52 N ATOM 510 CA LYS A 118 53.730 6.396 -0.120 1.00 0.63 C ATOM 511 C LYS A 118 52.915 5.477 -1.031 1.00 0.71 C ATOM 512 O LYS A 118 51.952 4.865 -0.614 1.00 0.83 O ATOM 513 CB LYS A 118 53.342 7.857 -0.346 1.00 0.68 C ATOM 514 CG LYS A 118 53.038 8.518 0.999 1.00 1.05 C ATOM 515 CD LYS A 118 52.030 9.650 0.796 1.00 1.33 C ATOM 516 CE LYS A 118 52.709 10.992 1.072 1.00 1.49 C ATOM 517 NZ LYS A 118 51.925 11.987 0.290 1.00 1.82 N ATOM 0 H LYS A 118 55.592 7.196 -0.792 1.00 0.52 H new ATOM 0 HA LYS A 118 53.540 6.080 0.906 1.00 0.63 H new ATOM 0 HB2 LYS A 118 54.152 8.386 -0.848 1.00 0.68 H new ATOM 0 HB3 LYS A 118 52.470 7.916 -0.998 1.00 0.68 H new ATOM 0 HG2 LYS A 118 52.638 7.781 1.696 1.00 1.05 H new ATOM 0 HG3 LYS A 118 53.955 8.908 1.440 1.00 1.05 H new ATOM 0 HD2 LYS A 118 51.643 9.629 -0.223 1.00 1.33 H new ATOM 0 HD3 LYS A 118 51.178 9.517 1.463 1.00 1.33 H new ATOM 0 HE2 LYS A 118 52.698 11.229 2.136 1.00 1.49 H new ATOM 0 HE3 LYS A 118 53.753 10.978 0.759 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 52.331 12.935 0.428 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 51.959 11.740 -0.720 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 50.937 11.983 0.614 1.00 1.82 H new ATOM 531 N ILE A 119 53.300 5.373 -2.272 1.00 0.72 N ATOM 532 CA ILE A 119 52.555 4.490 -3.213 1.00 0.84 C ATOM 533 C ILE A 119 53.017 3.039 -3.038 1.00 0.86 C ATOM 534 O ILE A 119 52.405 2.116 -3.536 1.00 0.96 O ATOM 535 CB ILE A 119 52.908 5.018 -4.605 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.012 6.214 -4.931 1.00 1.00 C ATOM 537 CG2 ILE A 119 52.690 3.922 -5.651 1.00 1.06 C ATOM 538 CD1 ILE A 119 52.762 7.181 -5.846 1.00 1.08 C ATOM 0 H ILE A 119 54.099 5.862 -2.676 1.00 0.72 H new ATOM 0 HA ILE A 119 51.479 4.499 -3.042 1.00 0.84 H new ATOM 0 HB ILE A 119 53.954 5.323 -4.619 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.097 5.874 -5.416 1.00 1.00 H new ATOM 0 HG13 ILE A 119 51.717 6.721 -4.013 1.00 1.00 H new ATOM 0 HG21 ILE A 119 52.944 4.306 -6.639 1.00 1.06 H new ATOM 0 HG22 ILE A 119 53.326 3.067 -5.420 1.00 1.06 H new ATOM 0 HG23 ILE A 119 51.645 3.611 -5.640 1.00 1.06 H new ATOM 0 HD11 ILE A 119 52.123 8.033 -6.078 1.00 1.08 H new ATOM 0 HD12 ILE A 119 53.664 7.531 -5.344 1.00 1.08 H new ATOM 0 HD13 ILE A 119 53.035 6.670 -6.770 1.00 1.08 H new ATOM 550 N MET A 120 54.094 2.839 -2.331 1.00 0.82 N ATOM 551 CA MET A 120 54.602 1.454 -2.115 1.00 0.92 C ATOM 552 C MET A 120 53.900 0.822 -0.910 1.00 0.92 C ATOM 553 O MET A 120 53.675 -0.370 -0.866 1.00 1.01 O ATOM 554 CB MET A 120 56.100 1.629 -1.847 1.00 0.96 C ATOM 555 CG MET A 120 56.645 0.401 -1.113 1.00 1.50 C ATOM 556 SD MET A 120 58.419 0.614 -0.820 1.00 2.13 S ATOM 557 CE MET A 120 58.991 0.002 -2.423 1.00 2.73 C ATOM 0 H MET A 120 54.646 3.576 -1.892 1.00 0.82 H new ATOM 0 HA MET A 120 54.416 0.798 -2.965 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.633 1.767 -2.788 1.00 0.96 H new ATOM 0 HB3 MET A 120 56.269 2.525 -1.250 1.00 0.96 H new ATOM 0 HG2 MET A 120 56.122 0.268 -0.166 1.00 1.50 H new ATOM 0 HG3 MET A 120 56.468 -0.498 -1.704 1.00 1.50 H new ATOM 0 HE1 MET A 120 60.063 -0.190 -2.378 1.00 2.73 H new ATOM 0 HE2 MET A 120 58.467 -0.922 -2.668 1.00 2.73 H new ATOM 0 HE3 MET A 120 58.789 0.749 -3.191 1.00 2.73 H new ATOM 567 N LEU A 121 53.554 1.615 0.068 1.00 0.88 N ATOM 568 CA LEU A 121 52.867 1.064 1.271 1.00 0.96 C ATOM 569 C LEU A 121 51.496 0.503 0.892 1.00 0.99 C ATOM 570 O LEU A 121 51.190 -0.642 1.152 1.00 1.12 O ATOM 571 CB LEU A 121 52.715 2.253 2.215 1.00 0.98 C ATOM 572 CG LEU A 121 54.096 2.808 2.566 1.00 1.19 C ATOM 573 CD1 LEU A 121 53.946 4.190 3.204 1.00 1.51 C ATOM 574 CD2 LEU A 121 54.788 1.864 3.551 1.00 1.81 C ATOM 0 H LEU A 121 53.718 2.622 0.086 1.00 0.88 H new ATOM 0 HA LEU A 121 53.426 0.247 1.727 1.00 0.96 H new ATOM 0 HB2 LEU A 121 52.109 3.028 1.746 1.00 0.98 H new ATOM 0 HB3 LEU A 121 52.194 1.946 3.122 1.00 0.98 H new ATOM 0 HG LEU A 121 54.695 2.891 1.659 1.00 1.19 H new ATOM 0 HD11 LEU A 121 54.931 4.584 3.454 1.00 1.51 H new ATOM 0 HD12 LEU A 121 53.453 4.863 2.503 1.00 1.51 H new ATOM 0 HD13 LEU A 121 53.347 4.109 4.111 1.00 1.51 H new ATOM 0 HD21 LEU A 121 55.773 2.258 3.802 1.00 1.81 H new ATOM 0 HD22 LEU A 121 54.188 1.781 4.457 1.00 1.81 H new ATOM 0 HD23 LEU A 121 54.897 0.879 3.096 1.00 1.81 H new ATOM 586 N GLN A 122 50.666 1.300 0.275 1.00 0.95 N ATOM 587 CA GLN A 122 49.319 0.802 -0.120 1.00 1.05 C ATOM 588 C GLN A 122 49.469 -0.402 -1.051 1.00 1.12 C ATOM 589 O GLN A 122 48.726 -1.359 -0.972 1.00 1.24 O ATOM 590 CB GLN A 122 48.667 1.971 -0.855 1.00 1.07 C ATOM 591 CG GLN A 122 49.460 2.269 -2.126 1.00 1.49 C ATOM 592 CD GLN A 122 48.923 3.544 -2.776 1.00 1.51 C ATOM 593 OE1 GLN A 122 47.954 4.113 -2.314 1.00 2.24 O ATOM 594 NE2 GLN A 122 49.515 4.020 -3.836 1.00 1.52 N ATOM 0 H GLN A 122 50.862 2.270 0.029 1.00 0.95 H new ATOM 0 HA GLN A 122 48.723 0.478 0.734 1.00 1.05 H new ATOM 0 HB2 GLN A 122 47.634 1.729 -1.105 1.00 1.07 H new ATOM 0 HB3 GLN A 122 48.642 2.851 -0.213 1.00 1.07 H new ATOM 0 HG2 GLN A 122 50.517 2.387 -1.888 1.00 1.49 H new ATOM 0 HG3 GLN A 122 49.381 1.433 -2.821 1.00 1.49 H new ATOM 0 HE21 GLN A 122 50.328 3.542 -4.224 1.00 1.52 H new ATOM 0 HE22 GLN A 122 49.165 4.870 -4.277 1.00 1.52 H new ATOM 603 N ALA A 123 50.434 -0.361 -1.930 1.00 1.11 N ATOM 604 CA ALA A 123 50.643 -1.504 -2.861 1.00 1.26 C ATOM 605 C ALA A 123 51.280 -2.673 -2.109 1.00 1.39 C ATOM 606 O ALA A 123 51.221 -3.808 -2.538 1.00 1.55 O ATOM 607 CB ALA A 123 51.592 -0.973 -3.935 1.00 1.31 C ATOM 0 H ALA A 123 51.086 0.415 -2.043 1.00 1.11 H new ATOM 0 HA ALA A 123 49.710 -1.868 -3.292 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.796 -1.759 -4.662 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.132 -0.123 -4.439 1.00 1.31 H new ATOM 0 HB3 ALA A 123 52.526 -0.657 -3.471 1.00 1.31 H new ATOM 613 N THR A 124 51.882 -2.403 -0.983 1.00 1.38 N ATOM 614 CA THR A 124 52.518 -3.499 -0.196 1.00 1.59 C ATOM 615 C THR A 124 51.748 -3.714 1.110 1.00 1.77 C ATOM 616 O THR A 124 52.159 -4.467 1.970 1.00 2.03 O ATOM 617 CB THR A 124 53.949 -3.019 0.079 1.00 1.65 C ATOM 618 OG1 THR A 124 54.758 -4.134 0.428 1.00 2.26 O ATOM 619 CG2 THR A 124 53.955 -2.006 1.227 1.00 1.97 C ATOM 0 H THR A 124 51.961 -1.472 -0.574 1.00 1.38 H new ATOM 0 HA THR A 124 52.514 -4.452 -0.726 1.00 1.59 H new ATOM 0 HB THR A 124 54.344 -2.540 -0.817 1.00 1.65 H new ATOM 0 HG1 THR A 124 54.268 -4.712 1.050 1.00 2.26 H new ATOM 0 HG21 THR A 124 54.976 -1.673 1.413 1.00 1.97 H new ATOM 0 HG22 THR A 124 53.337 -1.149 0.959 1.00 1.97 H new ATOM 0 HG23 THR A 124 53.557 -2.474 2.127 1.00 1.97 H new ATOM 627 N GLY A 125 50.631 -3.054 1.262 1.00 1.74 N ATOM 628 CA GLY A 125 49.830 -3.214 2.508 1.00 2.07 C ATOM 629 C GLY A 125 48.538 -2.404 2.389 1.00 1.64 C ATOM 630 O GLY A 125 47.943 -2.319 1.333 1.00 2.16 O ATOM 0 H GLY A 125 50.239 -2.410 0.575 1.00 1.74 H new ATOM 0 HA2 GLY A 125 49.599 -4.266 2.672 1.00 2.07 H new ATOM 0 HA3 GLY A 125 50.406 -2.876 3.370 1.00 2.07 H new ATOM 634 N GLU A 126 48.101 -1.806 3.463 1.00 1.68 N ATOM 635 CA GLU A 126 46.847 -0.999 3.409 1.00 1.94 C ATOM 636 C GLU A 126 47.185 0.489 3.285 1.00 1.76 C ATOM 637 O GLU A 126 47.894 1.044 4.101 1.00 2.42 O ATOM 638 CB GLU A 126 46.138 -1.280 4.735 1.00 2.83 C ATOM 639 CG GLU A 126 45.115 -2.402 4.537 1.00 3.43 C ATOM 640 CD GLU A 126 44.696 -2.956 5.900 1.00 4.44 C ATOM 641 OE1 GLU A 126 45.575 -3.246 6.695 1.00 5.02 O ATOM 642 OE2 GLU A 126 43.503 -3.080 6.125 1.00 4.97 O ATOM 0 H GLU A 126 48.557 -1.840 4.375 1.00 1.68 H new ATOM 0 HA GLU A 126 46.224 -1.257 2.552 1.00 1.94 H new ATOM 0 HB2 GLU A 126 46.865 -1.566 5.495 1.00 2.83 H new ATOM 0 HB3 GLU A 126 45.641 -0.378 5.092 1.00 2.83 H new ATOM 0 HG2 GLU A 126 44.243 -2.024 4.003 1.00 3.43 H new ATOM 0 HG3 GLU A 126 45.544 -3.196 3.926 1.00 3.43 H new ATOM 649 N THR A 127 46.684 1.139 2.269 1.00 1.67 N ATOM 650 CA THR A 127 46.976 2.592 2.091 1.00 1.97 C ATOM 651 C THR A 127 46.906 3.314 3.440 1.00 1.60 C ATOM 652 O THR A 127 46.055 3.035 4.260 1.00 1.70 O ATOM 653 CB THR A 127 45.884 3.104 1.150 1.00 2.78 C ATOM 654 OG1 THR A 127 46.245 4.388 0.664 1.00 3.37 O ATOM 655 CG2 THR A 127 44.557 3.196 1.905 1.00 3.72 C ATOM 0 H THR A 127 46.085 0.727 1.554 1.00 1.67 H new ATOM 0 HA THR A 127 47.974 2.767 1.689 1.00 1.97 H new ATOM 0 HB THR A 127 45.774 2.415 0.312 1.00 2.78 H new ATOM 0 HG1 THR A 127 45.547 4.717 0.060 1.00 3.37 H new ATOM 0 HG21 THR A 127 43.780 3.561 1.233 1.00 3.72 H new ATOM 0 HG22 THR A 127 44.281 2.209 2.277 1.00 3.72 H new ATOM 0 HG23 THR A 127 44.663 3.883 2.744 1.00 3.72 H new ATOM 663 N ILE A 128 47.794 4.240 3.674 1.00 1.39 N ATOM 664 CA ILE A 128 47.774 4.977 4.971 1.00 1.35 C ATOM 665 C ILE A 128 47.946 6.478 4.733 1.00 1.27 C ATOM 666 O ILE A 128 48.306 6.909 3.656 1.00 1.39 O ATOM 667 CB ILE A 128 48.952 4.422 5.766 1.00 1.59 C ATOM 668 CG1 ILE A 128 50.182 4.328 4.864 1.00 2.00 C ATOM 669 CG2 ILE A 128 48.604 3.029 6.294 1.00 2.58 C ATOM 670 CD1 ILE A 128 51.279 3.568 5.603 1.00 2.44 C ATOM 0 H ILE A 128 48.531 4.519 3.026 1.00 1.39 H new ATOM 0 HA ILE A 128 46.830 4.847 5.501 1.00 1.35 H new ATOM 0 HB ILE A 128 49.165 5.087 6.603 1.00 1.59 H new ATOM 0 HG12 ILE A 128 49.930 3.817 3.935 1.00 2.00 H new ATOM 0 HG13 ILE A 128 50.530 5.326 4.595 1.00 2.00 H new ATOM 0 HG21 ILE A 128 49.447 2.634 6.862 1.00 2.58 H new ATOM 0 HG22 ILE A 128 47.729 3.093 6.941 1.00 2.58 H new ATOM 0 HG23 ILE A 128 48.388 2.366 5.456 1.00 2.58 H new ATOM 0 HD11 ILE A 128 52.162 3.495 4.968 1.00 2.44 H new ATOM 0 HD12 ILE A 128 51.534 4.098 6.520 1.00 2.44 H new ATOM 0 HD13 ILE A 128 50.925 2.567 5.849 1.00 2.44 H new ATOM 682 N THR A 129 47.694 7.279 5.732 1.00 1.18 N ATOM 683 CA THR A 129 47.845 8.752 5.564 1.00 1.21 C ATOM 684 C THR A 129 49.291 9.167 5.850 1.00 1.10 C ATOM 685 O THR A 129 50.147 8.339 6.092 1.00 1.04 O ATOM 686 CB THR A 129 46.895 9.369 6.590 1.00 1.37 C ATOM 687 OG1 THR A 129 47.400 9.140 7.898 1.00 1.63 O ATOM 688 CG2 THR A 129 45.512 8.731 6.455 1.00 1.63 C ATOM 0 H THR A 129 47.390 6.977 6.658 1.00 1.18 H new ATOM 0 HA THR A 129 47.614 9.080 4.550 1.00 1.21 H new ATOM 0 HB THR A 129 46.816 10.442 6.414 1.00 1.37 H new ATOM 0 HG1 THR A 129 46.722 9.392 8.559 1.00 1.63 H new ATOM 0 HG21 THR A 129 44.835 9.171 7.187 1.00 1.63 H new ATOM 0 HG22 THR A 129 45.126 8.908 5.451 1.00 1.63 H new ATOM 0 HG23 THR A 129 45.588 7.658 6.630 1.00 1.63 H new ATOM 696 N GLU A 130 49.569 10.441 5.823 1.00 1.13 N ATOM 697 CA GLU A 130 50.961 10.904 6.095 1.00 1.09 C ATOM 698 C GLU A 130 51.281 10.773 7.587 1.00 1.03 C ATOM 699 O GLU A 130 52.383 11.041 8.021 1.00 0.98 O ATOM 700 CB GLU A 130 50.980 12.372 5.670 1.00 1.23 C ATOM 701 CG GLU A 130 51.246 12.467 4.166 1.00 1.68 C ATOM 702 CD GLU A 130 51.659 13.896 3.810 1.00 2.20 C ATOM 703 OE1 GLU A 130 50.961 14.812 4.215 1.00 2.66 O ATOM 704 OE2 GLU A 130 52.665 14.052 3.138 1.00 2.77 O ATOM 0 H GLU A 130 48.895 11.181 5.625 1.00 1.13 H new ATOM 0 HA GLU A 130 51.704 10.314 5.558 1.00 1.09 H new ATOM 0 HB2 GLU A 130 50.027 12.843 5.912 1.00 1.23 H new ATOM 0 HB3 GLU A 130 51.751 12.911 6.221 1.00 1.23 H new ATOM 0 HG2 GLU A 130 52.032 11.768 3.880 1.00 1.68 H new ATOM 0 HG3 GLU A 130 50.352 12.186 3.609 1.00 1.68 H new ATOM 711 N ASP A 131 50.323 10.363 8.373 1.00 1.08 N ATOM 712 CA ASP A 131 50.571 10.216 9.836 1.00 1.10 C ATOM 713 C ASP A 131 51.446 8.990 10.107 1.00 0.95 C ATOM 714 O ASP A 131 52.385 9.044 10.877 1.00 0.88 O ATOM 715 CB ASP A 131 49.185 10.032 10.455 1.00 1.27 C ATOM 716 CG ASP A 131 48.726 11.349 11.082 1.00 1.65 C ATOM 717 OD1 ASP A 131 49.382 12.351 10.851 1.00 2.09 O ATOM 718 OD2 ASP A 131 47.726 11.334 11.781 1.00 2.28 O ATOM 0 H ASP A 131 49.380 10.124 8.066 1.00 1.08 H new ATOM 0 HA ASP A 131 51.095 11.076 10.253 1.00 1.10 H new ATOM 0 HB2 ASP A 131 48.474 9.713 9.693 1.00 1.27 H new ATOM 0 HB3 ASP A 131 49.214 9.248 11.211 1.00 1.27 H new ATOM 723 N ASP A 132 51.146 7.885 9.483 1.00 0.96 N ATOM 724 CA ASP A 132 51.961 6.656 9.707 1.00 0.88 C ATOM 725 C ASP A 132 53.099 6.581 8.686 1.00 0.76 C ATOM 726 O ASP A 132 53.969 5.737 8.772 1.00 0.72 O ATOM 727 CB ASP A 132 50.986 5.494 9.512 1.00 0.99 C ATOM 728 CG ASP A 132 50.347 5.133 10.854 1.00 1.31 C ATOM 729 OD1 ASP A 132 51.084 4.951 11.809 1.00 1.95 O ATOM 730 OD2 ASP A 132 49.131 5.044 10.902 1.00 1.70 O ATOM 0 H ASP A 132 50.372 7.779 8.827 1.00 0.96 H new ATOM 0 HA ASP A 132 52.422 6.640 10.695 1.00 0.88 H new ATOM 0 HB2 ASP A 132 50.215 5.769 8.792 1.00 0.99 H new ATOM 0 HB3 ASP A 132 51.510 4.630 9.103 1.00 0.99 H new ATOM 735 N ILE A 133 53.098 7.455 7.716 1.00 0.78 N ATOM 736 CA ILE A 133 54.178 7.431 6.689 1.00 0.73 C ATOM 737 C ILE A 133 55.278 8.432 7.053 1.00 0.66 C ATOM 738 O ILE A 133 56.437 8.236 6.743 1.00 0.63 O ATOM 739 CB ILE A 133 53.491 7.837 5.386 1.00 0.84 C ATOM 740 CG1 ILE A 133 52.547 6.719 4.939 1.00 0.91 C ATOM 741 CG2 ILE A 133 54.547 8.076 4.306 1.00 1.14 C ATOM 742 CD1 ILE A 133 51.683 7.211 3.777 1.00 0.96 C ATOM 0 H ILE A 133 52.396 8.184 7.591 1.00 0.78 H new ATOM 0 HA ILE A 133 54.654 6.454 6.612 1.00 0.73 H new ATOM 0 HB ILE A 133 52.921 8.752 5.545 1.00 0.84 H new ATOM 0 HG12 ILE A 133 53.122 5.845 4.633 1.00 0.91 H new ATOM 0 HG13 ILE A 133 51.914 6.410 5.771 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.057 8.366 3.376 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.220 8.872 4.625 1.00 1.14 H new ATOM 0 HG23 ILE A 133 55.117 7.161 4.146 1.00 1.14 H new ATOM 0 HD11 ILE A 133 51.011 6.413 3.460 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.097 8.072 4.098 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.324 7.498 2.943 1.00 0.96 H new ATOM 754 N GLU A 134 54.924 9.503 7.707 1.00 0.73 N ATOM 755 CA GLU A 134 55.950 10.517 8.091 1.00 0.77 C ATOM 756 C GLU A 134 57.033 9.876 8.963 1.00 0.70 C ATOM 757 O GLU A 134 58.213 10.042 8.726 1.00 0.68 O ATOM 758 CB GLU A 134 55.181 11.575 8.883 1.00 0.96 C ATOM 759 CG GLU A 134 54.751 12.705 7.946 1.00 0.95 C ATOM 760 CD GLU A 134 55.703 13.890 8.106 1.00 1.60 C ATOM 761 OE1 GLU A 134 56.762 13.701 8.682 1.00 2.27 O ATOM 762 OE2 GLU A 134 55.358 14.968 7.650 1.00 2.07 O ATOM 0 H GLU A 134 53.970 9.721 7.993 1.00 0.73 H new ATOM 0 HA GLU A 134 56.455 10.941 7.223 1.00 0.77 H new ATOM 0 HB2 GLU A 134 54.306 11.127 9.354 1.00 0.96 H new ATOM 0 HB3 GLU A 134 55.806 11.971 9.683 1.00 0.96 H new ATOM 0 HG2 GLU A 134 54.757 12.357 6.913 1.00 0.95 H new ATOM 0 HG3 GLU A 134 53.730 13.012 8.173 1.00 0.95 H new ATOM 769 N GLU A 135 56.641 9.145 9.970 1.00 0.74 N ATOM 770 CA GLU A 135 57.647 8.495 10.859 1.00 0.76 C ATOM 771 C GLU A 135 58.212 7.238 10.190 1.00 0.66 C ATOM 772 O GLU A 135 59.122 6.610 10.694 1.00 0.74 O ATOM 773 CB GLU A 135 56.877 8.125 12.126 1.00 0.88 C ATOM 774 CG GLU A 135 57.854 7.631 13.194 1.00 1.20 C ATOM 775 CD GLU A 135 57.131 6.685 14.153 1.00 1.48 C ATOM 776 OE1 GLU A 135 56.980 5.524 13.807 1.00 1.95 O ATOM 777 OE2 GLU A 135 56.739 7.136 15.217 1.00 2.16 O ATOM 0 H GLU A 135 55.667 8.969 10.216 1.00 0.74 H new ATOM 0 HA GLU A 135 58.492 9.150 11.072 1.00 0.76 H new ATOM 0 HB2 GLU A 135 56.326 8.990 12.495 1.00 0.88 H new ATOM 0 HB3 GLU A 135 56.143 7.351 11.904 1.00 0.88 H new ATOM 0 HG2 GLU A 135 58.693 7.117 12.724 1.00 1.20 H new ATOM 0 HG3 GLU A 135 58.266 8.477 13.744 1.00 1.20 H new ATOM 784 N LEU A 136 57.677 6.865 9.059 1.00 0.62 N ATOM 785 CA LEU A 136 58.181 5.648 8.361 1.00 0.66 C ATOM 786 C LEU A 136 59.482 5.959 7.617 1.00 0.61 C ATOM 787 O LEU A 136 60.512 5.366 7.872 1.00 0.70 O ATOM 788 CB LEU A 136 57.075 5.275 7.373 1.00 0.77 C ATOM 789 CG LEU A 136 57.555 4.136 6.472 1.00 0.86 C ATOM 790 CD1 LEU A 136 57.876 2.910 7.327 1.00 1.63 C ATOM 791 CD2 LEU A 136 56.455 3.782 5.468 1.00 1.38 C ATOM 0 H LEU A 136 56.913 7.350 8.588 1.00 0.62 H new ATOM 0 HA LEU A 136 58.402 4.837 9.055 1.00 0.66 H new ATOM 0 HB2 LEU A 136 56.178 4.972 7.913 1.00 0.77 H new ATOM 0 HB3 LEU A 136 56.806 6.141 6.769 1.00 0.77 H new ATOM 0 HG LEU A 136 58.450 4.450 5.936 1.00 0.86 H new ATOM 0 HD11 LEU A 136 58.218 2.098 6.685 1.00 1.63 H new ATOM 0 HD12 LEU A 136 58.659 3.161 8.043 1.00 1.63 H new ATOM 0 HD13 LEU A 136 56.981 2.596 7.863 1.00 1.63 H new ATOM 0 HD21 LEU A 136 56.796 2.970 4.825 1.00 1.38 H new ATOM 0 HD22 LEU A 136 55.560 3.468 6.005 1.00 1.38 H new ATOM 0 HD23 LEU A 136 56.225 4.655 4.858 1.00 1.38 H new ATOM 803 N MET A 137 59.445 6.884 6.696 1.00 0.55 N ATOM 804 CA MET A 137 60.680 7.228 5.934 1.00 0.59 C ATOM 805 C MET A 137 61.774 7.719 6.888 1.00 0.65 C ATOM 806 O MET A 137 62.947 7.663 6.580 1.00 0.81 O ATOM 807 CB MET A 137 60.257 8.347 4.982 1.00 0.60 C ATOM 808 CG MET A 137 61.500 8.984 4.361 1.00 0.96 C ATOM 809 SD MET A 137 61.237 9.221 2.586 1.00 1.23 S ATOM 810 CE MET A 137 61.443 7.492 2.092 1.00 1.35 C ATOM 0 H MET A 137 58.614 7.416 6.438 1.00 0.55 H new ATOM 0 HA MET A 137 61.088 6.370 5.400 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.610 7.949 4.200 1.00 0.60 H new ATOM 0 HB3 MET A 137 59.680 9.099 5.521 1.00 0.60 H new ATOM 0 HG2 MET A 137 61.708 9.941 4.839 1.00 0.96 H new ATOM 0 HG3 MET A 137 62.369 8.348 4.529 1.00 0.96 H new ATOM 0 HE1 MET A 137 62.415 7.363 1.615 1.00 1.35 H new ATOM 0 HE2 MET A 137 61.383 6.852 2.973 1.00 1.35 H new ATOM 0 HE3 MET A 137 60.655 7.218 1.390 1.00 1.35 H new ATOM 820 N LYS A 138 61.399 8.198 8.043 1.00 0.62 N ATOM 821 CA LYS A 138 62.420 8.690 9.011 1.00 0.79 C ATOM 822 C LYS A 138 63.282 7.525 9.506 1.00 0.86 C ATOM 823 O LYS A 138 64.482 7.503 9.314 1.00 1.16 O ATOM 824 CB LYS A 138 61.617 9.293 10.163 1.00 0.87 C ATOM 825 CG LYS A 138 62.566 9.709 11.288 1.00 1.55 C ATOM 826 CD LYS A 138 61.757 10.031 12.546 1.00 2.07 C ATOM 827 CE LYS A 138 62.619 9.785 13.785 1.00 2.85 C ATOM 828 NZ LYS A 138 61.715 9.105 14.753 1.00 3.36 N ATOM 0 H LYS A 138 60.431 8.270 8.358 1.00 0.62 H new ATOM 0 HA LYS A 138 63.097 9.418 8.564 1.00 0.79 H new ATOM 0 HB2 LYS A 138 61.052 10.157 9.813 1.00 0.87 H new ATOM 0 HB3 LYS A 138 60.893 8.567 10.534 1.00 0.87 H new ATOM 0 HG2 LYS A 138 63.276 8.908 11.494 1.00 1.55 H new ATOM 0 HG3 LYS A 138 63.148 10.579 10.984 1.00 1.55 H new ATOM 0 HD2 LYS A 138 61.425 11.069 12.522 1.00 2.07 H new ATOM 0 HD3 LYS A 138 60.862 9.410 12.584 1.00 2.07 H new ATOM 0 HE2 LYS A 138 63.483 9.164 13.548 1.00 2.85 H new ATOM 0 HE3 LYS A 138 63.001 10.721 14.192 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 62.235 8.903 15.631 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 60.905 9.723 14.965 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 61.372 8.214 14.341 1.00 3.36 H new ATOM 842 N ASP A 139 62.680 6.557 10.140 1.00 0.71 N ATOM 843 CA ASP A 139 63.467 5.394 10.644 1.00 0.85 C ATOM 844 C ASP A 139 63.786 4.436 9.494 1.00 0.85 C ATOM 845 O ASP A 139 64.433 3.424 9.676 1.00 1.02 O ATOM 846 CB ASP A 139 62.562 4.717 11.672 1.00 0.97 C ATOM 847 CG ASP A 139 62.796 5.343 13.049 1.00 1.50 C ATOM 848 OD1 ASP A 139 63.205 6.490 13.094 1.00 1.80 O ATOM 849 OD2 ASP A 139 62.562 4.661 14.034 1.00 2.33 O ATOM 0 H ASP A 139 61.679 6.520 10.331 1.00 0.71 H new ATOM 0 HA ASP A 139 64.419 5.697 11.079 1.00 0.85 H new ATOM 0 HB2 ASP A 139 61.517 4.829 11.382 1.00 0.97 H new ATOM 0 HB3 ASP A 139 62.770 3.648 11.707 1.00 0.97 H new ATOM 854 N GLY A 140 63.338 4.748 8.307 1.00 0.81 N ATOM 855 CA GLY A 140 63.616 3.856 7.147 1.00 0.86 C ATOM 856 C GLY A 140 64.882 4.333 6.432 1.00 0.77 C ATOM 857 O GLY A 140 65.466 3.621 5.641 1.00 0.86 O ATOM 0 H GLY A 140 62.792 5.582 8.092 1.00 0.81 H new ATOM 0 HA2 GLY A 140 63.742 2.828 7.487 1.00 0.86 H new ATOM 0 HA3 GLY A 140 62.771 3.863 6.458 1.00 0.86 H new ATOM 861 N ASP A 141 65.309 5.535 6.707 1.00 0.70 N ATOM 862 CA ASP A 141 66.536 6.059 6.043 1.00 0.66 C ATOM 863 C ASP A 141 67.763 5.809 6.925 1.00 0.74 C ATOM 864 O ASP A 141 67.880 6.346 8.008 1.00 0.87 O ATOM 865 CB ASP A 141 66.288 7.560 5.884 1.00 0.66 C ATOM 866 CG ASP A 141 66.537 7.968 4.432 1.00 0.76 C ATOM 867 OD1 ASP A 141 67.362 7.337 3.793 1.00 0.92 O ATOM 868 OD2 ASP A 141 65.899 8.907 3.982 1.00 0.83 O ATOM 0 H ASP A 141 64.862 6.176 7.362 1.00 0.70 H new ATOM 0 HA ASP A 141 66.728 5.573 5.087 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.265 7.802 6.170 1.00 0.66 H new ATOM 0 HB3 ASP A 141 66.946 8.120 6.548 1.00 0.66 H new ATOM 873 N LYS A 142 68.680 4.998 6.468 1.00 0.75 N ATOM 874 CA LYS A 142 69.899 4.716 7.281 1.00 0.87 C ATOM 875 C LYS A 142 70.946 5.811 7.060 1.00 0.89 C ATOM 876 O LYS A 142 71.988 5.822 7.683 1.00 1.05 O ATOM 877 CB LYS A 142 70.415 3.370 6.770 1.00 0.89 C ATOM 878 CG LYS A 142 70.456 2.367 7.925 1.00 1.24 C ATOM 879 CD LYS A 142 71.414 2.870 9.007 1.00 1.26 C ATOM 880 CE LYS A 142 71.428 1.883 10.176 1.00 1.55 C ATOM 881 NZ LYS A 142 72.671 1.083 9.988 1.00 1.99 N ATOM 0 H LYS A 142 68.638 4.519 5.568 1.00 0.75 H new ATOM 0 HA LYS A 142 69.686 4.691 8.350 1.00 0.87 H new ATOM 0 HB2 LYS A 142 69.768 2.999 5.975 1.00 0.89 H new ATOM 0 HB3 LYS A 142 71.410 3.489 6.342 1.00 0.89 H new ATOM 0 HG2 LYS A 142 69.457 2.236 8.342 1.00 1.24 H new ATOM 0 HG3 LYS A 142 70.781 1.392 7.562 1.00 1.24 H new ATOM 0 HD2 LYS A 142 72.418 2.978 8.597 1.00 1.26 H new ATOM 0 HD3 LYS A 142 71.103 3.856 9.353 1.00 1.26 H new ATOM 0 HE2 LYS A 142 71.435 2.404 11.133 1.00 1.55 H new ATOM 0 HE3 LYS A 142 70.543 1.246 10.166 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 72.752 0.382 10.752 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 72.633 0.593 9.072 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 73.497 1.715 10.009 1.00 1.99 H new ATOM 895 N ASN A 143 70.676 6.734 6.178 1.00 0.85 N ATOM 896 CA ASN A 143 71.655 7.829 5.920 1.00 1.05 C ATOM 897 C ASN A 143 70.958 9.188 6.006 1.00 1.07 C ATOM 898 O ASN A 143 71.541 10.217 5.729 1.00 1.56 O ATOM 899 CB ASN A 143 72.170 7.575 4.503 1.00 1.08 C ATOM 900 CG ASN A 143 71.024 7.744 3.505 1.00 1.05 C ATOM 901 OD1 ASN A 143 69.928 8.115 3.877 1.00 0.98 O ATOM 902 ND2 ASN A 143 71.232 7.487 2.243 1.00 1.48 N ATOM 0 H ASN A 143 69.820 6.778 5.625 1.00 0.85 H new ATOM 0 HA ASN A 143 72.465 7.842 6.649 1.00 1.05 H new ATOM 0 HB2 ASN A 143 72.976 8.270 4.268 1.00 1.08 H new ATOM 0 HB3 ASN A 143 72.584 6.569 4.430 1.00 1.08 H new ATOM 0 HD21 ASN A 143 70.475 7.597 1.569 1.00 1.48 H new ATOM 0 HD22 ASN A 143 72.152 7.176 1.931 1.00 1.48 H new ATOM 909 N ASN A 144 69.710 9.198 6.391 1.00 0.78 N ATOM 910 CA ASN A 144 68.971 10.488 6.497 1.00 0.82 C ATOM 911 C ASN A 144 69.269 11.373 5.285 1.00 0.82 C ATOM 912 O ASN A 144 69.802 12.458 5.413 1.00 0.92 O ATOM 913 CB ASN A 144 69.492 11.137 7.780 1.00 0.95 C ATOM 914 CG ASN A 144 68.671 10.644 8.972 1.00 1.47 C ATOM 915 OD1 ASN A 144 67.907 11.391 9.550 1.00 2.28 O ATOM 916 ND2 ASN A 144 68.795 9.405 9.366 1.00 1.93 N ATOM 0 H ASN A 144 69.171 8.368 6.637 1.00 0.78 H new ATOM 0 HA ASN A 144 67.891 10.344 6.522 1.00 0.82 H new ATOM 0 HB2 ASN A 144 70.544 10.891 7.923 1.00 0.95 H new ATOM 0 HB3 ASN A 144 69.426 12.222 7.704 1.00 0.95 H new ATOM 0 HD21 ASN A 144 68.250 9.065 10.159 1.00 1.93 H new ATOM 0 HD22 ASN A 144 69.436 8.777 8.881 1.00 1.93 H new ATOM 923 N ASP A 145 68.929 10.920 4.110 1.00 0.75 N ATOM 924 CA ASP A 145 69.192 11.735 2.890 1.00 0.78 C ATOM 925 C ASP A 145 67.875 12.066 2.182 1.00 0.74 C ATOM 926 O ASP A 145 67.831 12.877 1.279 1.00 0.81 O ATOM 927 CB ASP A 145 70.071 10.852 2.004 1.00 0.76 C ATOM 928 CG ASP A 145 69.225 9.728 1.403 1.00 1.12 C ATOM 929 OD1 ASP A 145 68.325 9.261 2.082 1.00 1.72 O ATOM 930 OD2 ASP A 145 69.491 9.352 0.273 1.00 1.85 O ATOM 0 H ASP A 145 68.480 10.020 3.942 1.00 0.75 H new ATOM 0 HA ASP A 145 69.674 12.684 3.123 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.520 11.448 1.209 1.00 0.76 H new ATOM 0 HB3 ASP A 145 70.890 10.432 2.589 1.00 0.76 H new ATOM 935 N GLY A 146 66.803 11.441 2.585 1.00 0.69 N ATOM 936 CA GLY A 146 65.490 11.718 1.936 1.00 0.70 C ATOM 937 C GLY A 146 65.145 10.581 0.974 1.00 0.58 C ATOM 938 O GLY A 146 63.998 10.208 0.825 1.00 0.62 O ATOM 0 H GLY A 146 66.779 10.751 3.335 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.712 11.816 2.693 1.00 0.70 H new ATOM 0 HA3 GLY A 146 65.532 12.664 1.397 1.00 0.70 H new ATOM 942 N ARG A 147 66.127 10.025 0.318 1.00 0.54 N ATOM 943 CA ARG A 147 65.848 8.912 -0.635 1.00 0.49 C ATOM 944 C ARG A 147 66.310 7.575 -0.049 1.00 0.44 C ATOM 945 O ARG A 147 66.965 7.525 0.973 1.00 0.56 O ATOM 946 CB ARG A 147 66.653 9.254 -1.891 1.00 0.57 C ATOM 947 CG ARG A 147 65.813 10.148 -2.805 1.00 0.78 C ATOM 948 CD ARG A 147 66.732 11.102 -3.569 1.00 0.73 C ATOM 949 NE ARG A 147 65.920 12.334 -3.774 1.00 1.07 N ATOM 950 CZ ARG A 147 66.399 13.496 -3.423 1.00 1.60 C ATOM 951 NH1 ARG A 147 67.686 13.709 -3.459 1.00 2.22 N ATOM 952 NH2 ARG A 147 65.591 14.444 -3.037 1.00 2.32 N ATOM 0 H ARG A 147 67.108 10.292 0.400 1.00 0.54 H new ATOM 0 HA ARG A 147 64.783 8.811 -0.846 1.00 0.49 H new ATOM 0 HB2 ARG A 147 67.578 9.762 -1.617 1.00 0.57 H new ATOM 0 HB3 ARG A 147 66.935 8.341 -2.416 1.00 0.57 H new ATOM 0 HG2 ARG A 147 65.242 9.537 -3.505 1.00 0.78 H new ATOM 0 HG3 ARG A 147 65.092 10.714 -2.215 1.00 0.78 H new ATOM 0 HD2 ARG A 147 67.638 11.316 -3.003 1.00 0.73 H new ATOM 0 HD3 ARG A 147 67.045 10.672 -4.521 1.00 0.73 H new ATOM 0 HE ARG A 147 64.990 12.269 -4.188 1.00 1.07 H new ATOM 0 HH11 ARG A 147 68.317 12.967 -3.761 1.00 2.22 H new ATOM 0 HH12 ARG A 147 68.060 14.617 -3.185 1.00 2.22 H new ATOM 0 HH21 ARG A 147 64.585 14.277 -3.010 1.00 2.32 H new ATOM 0 HH22 ARG A 147 65.965 15.352 -2.763 1.00 2.32 H new ATOM 966 N ILE A 148 65.972 6.492 -0.695 1.00 0.35 N ATOM 967 CA ILE A 148 66.386 5.153 -0.187 1.00 0.36 C ATOM 968 C ILE A 148 66.933 4.307 -1.344 1.00 0.40 C ATOM 969 O ILE A 148 66.459 4.388 -2.460 1.00 0.41 O ATOM 970 CB ILE A 148 65.101 4.543 0.394 1.00 0.35 C ATOM 971 CG1 ILE A 148 64.947 4.992 1.849 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.167 3.012 0.338 1.00 0.43 C ATOM 973 CD1 ILE A 148 63.752 4.277 2.484 1.00 0.40 C ATOM 0 H ILE A 148 65.425 6.477 -1.556 1.00 0.35 H new ATOM 0 HA ILE A 148 67.177 5.205 0.561 1.00 0.36 H new ATOM 0 HB ILE A 148 64.247 4.881 -0.194 1.00 0.35 H new ATOM 0 HG12 ILE A 148 65.856 4.768 2.407 1.00 0.40 H new ATOM 0 HG13 ILE A 148 64.803 6.072 1.894 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.250 2.593 0.753 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.277 2.690 -0.698 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.021 2.663 0.919 1.00 0.43 H new ATOM 0 HD11 ILE A 148 63.644 4.598 3.520 1.00 0.40 H new ATOM 0 HD12 ILE A 148 62.845 4.523 1.932 1.00 0.40 H new ATOM 0 HD13 ILE A 148 63.914 3.200 2.453 1.00 0.40 H new ATOM 985 N ASP A 149 67.925 3.500 -1.087 1.00 0.47 N ATOM 986 CA ASP A 149 68.496 2.658 -2.178 1.00 0.55 C ATOM 987 C ASP A 149 68.340 1.170 -1.848 1.00 0.58 C ATOM 988 O ASP A 149 67.573 0.790 -0.984 1.00 0.54 O ATOM 989 CB ASP A 149 69.973 3.052 -2.258 1.00 0.65 C ATOM 990 CG ASP A 149 70.717 2.537 -1.027 1.00 1.32 C ATOM 991 OD1 ASP A 149 70.284 2.838 0.073 1.00 2.16 O ATOM 992 OD2 ASP A 149 71.711 1.852 -1.205 1.00 2.00 O ATOM 0 H ASP A 149 68.364 3.387 -0.173 1.00 0.47 H new ATOM 0 HA ASP A 149 67.986 2.817 -3.128 1.00 0.55 H new ATOM 0 HB2 ASP A 149 70.420 2.639 -3.163 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.066 4.136 -2.323 1.00 0.65 H new ATOM 997 N TYR A 150 69.049 0.323 -2.545 1.00 0.67 N ATOM 998 CA TYR A 150 68.933 -1.145 -2.293 1.00 0.73 C ATOM 999 C TYR A 150 69.555 -1.532 -0.946 1.00 0.75 C ATOM 1000 O TYR A 150 69.359 -2.628 -0.459 1.00 0.76 O ATOM 1001 CB TYR A 150 69.701 -1.800 -3.442 1.00 0.84 C ATOM 1002 CG TYR A 150 69.645 -3.301 -3.293 1.00 0.97 C ATOM 1003 CD1 TYR A 150 68.412 -3.943 -3.134 1.00 1.63 C ATOM 1004 CD2 TYR A 150 70.827 -4.050 -3.314 1.00 1.74 C ATOM 1005 CE1 TYR A 150 68.361 -5.335 -2.995 1.00 2.06 C ATOM 1006 CE2 TYR A 150 70.776 -5.441 -3.176 1.00 2.14 C ATOM 1007 CZ TYR A 150 69.542 -6.084 -3.017 1.00 2.02 C ATOM 1008 OH TYR A 150 69.492 -7.456 -2.880 1.00 2.63 O ATOM 0 H TYR A 150 69.706 0.584 -3.280 1.00 0.67 H new ATOM 0 HA TYR A 150 67.892 -1.464 -2.249 1.00 0.73 H new ATOM 0 HB2 TYR A 150 69.270 -1.502 -4.398 1.00 0.84 H new ATOM 0 HB3 TYR A 150 70.737 -1.462 -3.440 1.00 0.84 H new ATOM 0 HD1 TYR A 150 67.500 -3.365 -3.119 1.00 1.63 H new ATOM 0 HD2 TYR A 150 71.778 -3.554 -3.437 1.00 1.74 H new ATOM 0 HE1 TYR A 150 67.410 -5.831 -2.871 1.00 2.06 H new ATOM 0 HE2 TYR A 150 71.688 -6.019 -3.192 1.00 2.14 H new ATOM 0 HH TYR A 150 68.585 -7.726 -2.625 1.00 2.63 H new ATOM 1018 N ASP A 151 70.306 -0.654 -0.340 1.00 0.78 N ATOM 1019 CA ASP A 151 70.935 -0.999 0.970 1.00 0.82 C ATOM 1020 C ASP A 151 70.040 -0.556 2.133 1.00 0.74 C ATOM 1021 O ASP A 151 69.678 -1.345 2.983 1.00 0.76 O ATOM 1022 CB ASP A 151 72.261 -0.237 0.991 1.00 0.87 C ATOM 1023 CG ASP A 151 73.419 -1.231 1.098 1.00 1.31 C ATOM 1024 OD1 ASP A 151 73.432 -2.179 0.329 1.00 1.67 O ATOM 1025 OD2 ASP A 151 74.273 -1.029 1.945 1.00 2.08 O ATOM 0 H ASP A 151 70.511 0.282 -0.691 1.00 0.78 H new ATOM 0 HA ASP A 151 71.081 -2.074 1.080 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.363 0.361 0.085 1.00 0.87 H new ATOM 0 HB3 ASP A 151 72.282 0.454 1.833 1.00 0.87 H new ATOM 1030 N GLU A 152 69.685 0.699 2.182 1.00 0.67 N ATOM 1031 CA GLU A 152 68.819 1.184 3.297 1.00 0.61 C ATOM 1032 C GLU A 152 67.408 0.603 3.169 1.00 0.58 C ATOM 1033 O GLU A 152 66.676 0.509 4.135 1.00 0.58 O ATOM 1034 CB GLU A 152 68.787 2.706 3.144 1.00 0.59 C ATOM 1035 CG GLU A 152 70.217 3.250 3.152 1.00 0.76 C ATOM 1036 CD GLU A 152 70.191 4.755 2.881 1.00 0.75 C ATOM 1037 OE1 GLU A 152 69.753 5.487 3.754 1.00 1.20 O ATOM 1038 OE2 GLU A 152 70.609 5.151 1.805 1.00 1.39 O ATOM 0 H GLU A 152 69.956 1.408 1.501 1.00 0.67 H new ATOM 0 HA GLU A 152 69.199 0.880 4.272 1.00 0.61 H new ATOM 0 HB2 GLU A 152 68.288 2.978 2.214 1.00 0.59 H new ATOM 0 HB3 GLU A 152 68.212 3.152 3.956 1.00 0.59 H new ATOM 0 HG2 GLU A 152 70.688 3.051 4.115 1.00 0.76 H new ATOM 0 HG3 GLU A 152 70.815 2.743 2.394 1.00 0.76 H new ATOM 1045 N PHE A 153 67.020 0.212 1.986 1.00 0.60 N ATOM 1046 CA PHE A 153 65.656 -0.362 1.801 1.00 0.61 C ATOM 1047 C PHE A 153 65.607 -1.794 2.340 1.00 0.66 C ATOM 1048 O PHE A 153 64.652 -2.196 2.973 1.00 0.71 O ATOM 1049 CB PHE A 153 65.424 -0.348 0.289 1.00 0.64 C ATOM 1050 CG PHE A 153 64.044 -0.880 -0.015 1.00 0.68 C ATOM 1051 CD1 PHE A 153 62.935 -0.029 0.056 1.00 1.18 C ATOM 1052 CD2 PHE A 153 63.874 -2.225 -0.365 1.00 1.47 C ATOM 1053 CE1 PHE A 153 61.656 -0.523 -0.225 1.00 1.24 C ATOM 1054 CE2 PHE A 153 62.594 -2.718 -0.645 1.00 1.55 C ATOM 1055 CZ PHE A 153 61.485 -1.867 -0.576 1.00 0.93 C ATOM 0 H PHE A 153 67.587 0.265 1.140 1.00 0.60 H new ATOM 0 HA PHE A 153 64.893 0.203 2.336 1.00 0.61 H new ATOM 0 HB2 PHE A 153 65.527 0.667 -0.096 1.00 0.64 H new ATOM 0 HB3 PHE A 153 66.178 -0.956 -0.211 1.00 0.64 H new ATOM 0 HD1 PHE A 153 63.066 1.008 0.327 1.00 1.18 H new ATOM 0 HD2 PHE A 153 64.730 -2.882 -0.419 1.00 1.47 H new ATOM 0 HE1 PHE A 153 60.800 0.134 -0.171 1.00 1.24 H new ATOM 0 HE2 PHE A 153 62.462 -3.756 -0.914 1.00 1.55 H new ATOM 0 HZ PHE A 153 60.498 -2.247 -0.793 1.00 0.93 H new ATOM 1065 N LEU A 154 66.630 -2.566 2.095 1.00 0.72 N ATOM 1066 CA LEU A 154 66.640 -3.971 2.596 1.00 0.80 C ATOM 1067 C LEU A 154 66.252 -4.007 4.077 1.00 0.79 C ATOM 1068 O LEU A 154 65.379 -4.750 4.481 1.00 0.82 O ATOM 1069 CB LEU A 154 68.081 -4.446 2.407 1.00 0.92 C ATOM 1070 CG LEU A 154 68.141 -5.455 1.260 1.00 0.85 C ATOM 1071 CD1 LEU A 154 67.117 -6.566 1.500 1.00 1.74 C ATOM 1072 CD2 LEU A 154 67.822 -4.746 -0.059 1.00 1.54 C ATOM 0 H LEU A 154 67.459 -2.286 1.570 1.00 0.72 H new ATOM 0 HA LEU A 154 65.928 -4.605 2.067 1.00 0.80 H new ATOM 0 HB2 LEU A 154 68.730 -3.597 2.192 1.00 0.92 H new ATOM 0 HB3 LEU A 154 68.448 -4.903 3.326 1.00 0.92 H new ATOM 0 HG LEU A 154 69.140 -5.887 1.210 1.00 0.85 H new ATOM 0 HD11 LEU A 154 67.161 -7.284 0.681 1.00 1.74 H new ATOM 0 HD12 LEU A 154 67.342 -7.072 2.439 1.00 1.74 H new ATOM 0 HD13 LEU A 154 66.117 -6.135 1.551 1.00 1.74 H new ATOM 0 HD21 LEU A 154 67.864 -5.464 -0.878 1.00 1.54 H new ATOM 0 HD22 LEU A 154 66.823 -4.313 -0.007 1.00 1.54 H new ATOM 0 HD23 LEU A 154 68.551 -3.955 -0.232 1.00 1.54 H new ATOM 1084 N GLU A 155 66.893 -3.212 4.888 1.00 0.79 N ATOM 1085 CA GLU A 155 66.558 -3.203 6.341 1.00 0.82 C ATOM 1086 C GLU A 155 65.309 -2.354 6.588 1.00 0.81 C ATOM 1087 O GLU A 155 64.601 -2.540 7.556 1.00 0.90 O ATOM 1088 CB GLU A 155 67.775 -2.578 7.023 1.00 0.85 C ATOM 1089 CG GLU A 155 67.877 -1.103 6.631 1.00 0.95 C ATOM 1090 CD GLU A 155 69.286 -0.591 6.937 1.00 1.67 C ATOM 1091 OE1 GLU A 155 69.524 -0.212 8.072 1.00 2.27 O ATOM 1092 OE2 GLU A 155 70.103 -0.586 6.031 1.00 2.47 O ATOM 0 H GLU A 155 67.634 -2.569 4.609 1.00 0.79 H new ATOM 0 HA GLU A 155 66.345 -4.201 6.723 1.00 0.82 H new ATOM 0 HB2 GLU A 155 67.687 -2.673 8.105 1.00 0.85 H new ATOM 0 HB3 GLU A 155 68.682 -3.107 6.729 1.00 0.85 H new ATOM 0 HG2 GLU A 155 67.656 -0.981 5.570 1.00 0.95 H new ATOM 0 HG3 GLU A 155 67.139 -0.518 7.179 1.00 0.95 H new ATOM 1099 N PHE A 156 65.036 -1.423 5.717 1.00 0.75 N ATOM 1100 CA PHE A 156 63.833 -0.561 5.900 1.00 0.78 C ATOM 1101 C PHE A 156 62.592 -1.426 6.121 1.00 0.84 C ATOM 1102 O PHE A 156 61.789 -1.161 6.993 1.00 0.90 O ATOM 1103 CB PHE A 156 63.708 0.227 4.595 1.00 0.78 C ATOM 1104 CG PHE A 156 62.384 0.953 4.569 1.00 0.85 C ATOM 1105 CD1 PHE A 156 61.199 0.241 4.344 1.00 1.27 C ATOM 1106 CD2 PHE A 156 62.342 2.337 4.767 1.00 1.66 C ATOM 1107 CE1 PHE A 156 59.972 0.915 4.320 1.00 1.31 C ATOM 1108 CE2 PHE A 156 61.114 3.011 4.742 1.00 1.77 C ATOM 1109 CZ PHE A 156 59.930 2.300 4.518 1.00 1.10 C ATOM 0 H PHE A 156 65.593 -1.221 4.887 1.00 0.75 H new ATOM 0 HA PHE A 156 63.923 0.094 6.766 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.528 0.940 4.509 1.00 0.78 H new ATOM 0 HB3 PHE A 156 63.782 -0.448 3.742 1.00 0.78 H new ATOM 0 HD1 PHE A 156 61.232 -0.827 4.189 1.00 1.27 H new ATOM 0 HD2 PHE A 156 63.256 2.886 4.939 1.00 1.66 H new ATOM 0 HE1 PHE A 156 59.058 0.366 4.149 1.00 1.31 H new ATOM 0 HE2 PHE A 156 61.081 4.080 4.896 1.00 1.77 H new ATOM 0 HZ PHE A 156 58.984 2.820 4.498 1.00 1.10 H new ATOM 1119 N MET A 157 62.428 -2.457 5.337 1.00 0.86 N ATOM 1120 CA MET A 157 61.235 -3.337 5.503 1.00 0.95 C ATOM 1121 C MET A 157 61.547 -4.482 6.471 1.00 0.99 C ATOM 1122 O MET A 157 60.682 -4.962 7.177 1.00 1.12 O ATOM 1123 CB MET A 157 60.948 -3.880 4.103 1.00 0.99 C ATOM 1124 CG MET A 157 59.441 -4.082 3.933 1.00 1.28 C ATOM 1125 SD MET A 157 59.128 -5.053 2.438 1.00 1.48 S ATOM 1126 CE MET A 157 59.760 -3.844 1.250 1.00 1.12 C ATOM 0 H MET A 157 63.067 -2.728 4.590 1.00 0.86 H new ATOM 0 HA MET A 157 60.381 -2.800 5.916 1.00 0.95 H new ATOM 0 HB2 MET A 157 61.320 -3.186 3.349 1.00 0.99 H new ATOM 0 HB3 MET A 157 61.471 -4.824 3.953 1.00 0.99 H new ATOM 0 HG2 MET A 157 59.031 -4.593 4.804 1.00 1.28 H new ATOM 0 HG3 MET A 157 58.939 -3.117 3.864 1.00 1.28 H new ATOM 0 HE1 MET A 157 59.399 -4.092 0.252 1.00 1.12 H new ATOM 0 HE2 MET A 157 59.412 -2.848 1.524 1.00 1.12 H new ATOM 0 HE3 MET A 157 60.850 -3.862 1.257 1.00 1.12 H new ATOM 1136 N LYS A 158 62.774 -4.924 6.510 1.00 0.94 N ATOM 1137 CA LYS A 158 63.135 -6.038 7.433 1.00 1.02 C ATOM 1138 C LYS A 158 62.757 -5.676 8.873 1.00 1.05 C ATOM 1139 O LYS A 158 62.437 -6.530 9.675 1.00 1.20 O ATOM 1140 CB LYS A 158 64.651 -6.191 7.299 1.00 1.07 C ATOM 1141 CG LYS A 158 65.021 -7.675 7.348 1.00 1.26 C ATOM 1142 CD LYS A 158 66.067 -7.976 6.273 1.00 1.53 C ATOM 1143 CE LYS A 158 67.382 -7.280 6.629 1.00 1.45 C ATOM 1144 NZ LYS A 158 68.282 -7.545 5.472 1.00 2.07 N ATOM 0 H LYS A 158 63.542 -4.563 5.944 1.00 0.94 H new ATOM 0 HA LYS A 158 62.610 -6.962 7.189 1.00 1.02 H new ATOM 0 HB2 LYS A 158 64.990 -5.752 6.361 1.00 1.07 H new ATOM 0 HB3 LYS A 158 65.154 -5.653 8.103 1.00 1.07 H new ATOM 0 HG2 LYS A 158 65.412 -7.931 8.333 1.00 1.26 H new ATOM 0 HG3 LYS A 158 64.134 -8.287 7.189 1.00 1.26 H new ATOM 0 HD2 LYS A 158 66.223 -9.052 6.194 1.00 1.53 H new ATOM 0 HD3 LYS A 158 65.713 -7.633 5.301 1.00 1.53 H new ATOM 0 HE2 LYS A 158 67.235 -6.210 6.778 1.00 1.45 H new ATOM 0 HE3 LYS A 158 67.801 -7.676 7.554 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 69.206 -7.099 5.642 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 68.409 -8.571 5.359 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 67.861 -7.151 4.607 1.00 2.07 H new ATOM 1158 N GLY A 159 62.792 -4.415 9.203 1.00 1.04 N ATOM 1159 CA GLY A 159 62.434 -3.995 10.588 1.00 1.14 C ATOM 1160 C GLY A 159 61.888 -2.568 10.557 1.00 1.14 C ATOM 1161 O GLY A 159 62.605 -1.613 10.780 1.00 1.38 O ATOM 0 H GLY A 159 63.053 -3.656 8.573 1.00 1.04 H new ATOM 0 HA2 GLY A 159 61.689 -4.673 11.005 1.00 1.14 H new ATOM 0 HA3 GLY A 159 63.310 -4.048 11.234 1.00 1.14 H new ATOM 1165 N VAL A 160 60.623 -2.413 10.275 1.00 1.42 N ATOM 1166 CA VAL A 160 60.032 -1.043 10.224 1.00 1.48 C ATOM 1167 C VAL A 160 59.304 -0.738 11.537 1.00 1.88 C ATOM 1168 O VAL A 160 58.786 0.344 11.734 1.00 2.37 O ATOM 1169 CB VAL A 160 59.035 -1.045 9.050 1.00 1.32 C ATOM 1170 CG1 VAL A 160 59.068 0.319 8.360 1.00 1.35 C ATOM 1171 CG2 VAL A 160 59.403 -2.128 8.025 1.00 1.49 C ATOM 0 H VAL A 160 59.973 -3.174 10.078 1.00 1.42 H new ATOM 0 HA VAL A 160 60.800 -0.282 10.088 1.00 1.48 H new ATOM 0 HB VAL A 160 58.039 -1.251 9.441 1.00 1.32 H new ATOM 0 HG11 VAL A 160 58.364 0.323 7.528 1.00 1.35 H new ATOM 0 HG12 VAL A 160 58.791 1.095 9.074 1.00 1.35 H new ATOM 0 HG13 VAL A 160 60.073 0.513 7.986 1.00 1.35 H new ATOM 0 HG21 VAL A 160 58.686 -2.111 7.205 1.00 1.49 H new ATOM 0 HG22 VAL A 160 60.403 -1.936 7.636 1.00 1.49 H new ATOM 0 HG23 VAL A 160 59.382 -3.106 8.506 1.00 1.49 H new ATOM 1181 N GLU A 161 59.262 -1.685 12.436 1.00 2.17 N ATOM 1182 CA GLU A 161 58.569 -1.450 13.735 1.00 2.67 C ATOM 1183 C GLU A 161 59.421 -1.985 14.891 1.00 3.21 C ATOM 1184 O GLU A 161 60.467 -2.549 14.617 1.00 3.74 O ATOM 1185 CB GLU A 161 57.257 -2.230 13.633 1.00 3.19 C ATOM 1186 CG GLU A 161 56.077 -1.260 13.722 1.00 3.64 C ATOM 1187 CD GLU A 161 55.904 -0.799 15.169 1.00 4.40 C ATOM 1188 OE1 GLU A 161 55.348 -1.553 15.949 1.00 4.73 O ATOM 1189 OE2 GLU A 161 56.332 0.303 15.474 1.00 5.03 O ATOM 1190 OXT GLU A 161 59.010 -1.822 16.028 1.00 3.58 O ATOM 0 H GLU A 161 59.677 -2.610 12.327 1.00 2.17 H new ATOM 0 HA GLU A 161 58.399 -0.390 13.926 1.00 2.67 H new ATOM 0 HB2 GLU A 161 57.220 -2.778 12.692 1.00 3.19 H new ATOM 0 HB3 GLU A 161 57.197 -2.967 14.434 1.00 3.19 H new ATOM 0 HG2 GLU A 161 56.249 -0.401 13.074 1.00 3.64 H new ATOM 0 HG3 GLU A 161 55.166 -1.746 13.373 1.00 3.64 H new TER 1197 GLU A 161 HETATM 1198 CA CA A 1 63.014 7.688 -6.631 1.00 0.50 CA HETATM 1199 CA CA A 2 68.865 6.619 1.870 1.00 0.74 CA