USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=14 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 120 MET CE :methyl -166:sc= -2.88! (180deg=0) USER MOD Set 1.2: A 157 MET CE :methyl -172:sc= -3.01! (180deg=-0.0127) USER MOD Set 2.1: A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 148:sc= -0.204 (180deg=-1.49!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0267 USER MOD Single : A 98 SER OG : rot -96:sc= 0.00628 USER MOD Single : A 103 MET CE :methyl 165:sc= -0.0554 (180deg=-0.339) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -3.56! C(o=-3.6!,f=-5!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 167:sc= -0.023 (180deg=-0.169) USER MOD Single : A 122 GLN : amide:sc= -1.71 K(o=-1.7,f=-0.11) USER MOD Single : A 124 THR OG1 : rot -21:sc= 0.683 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -171:sc= -2.12 (180deg=-2.17) 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= -2.37 K(o=-2.4,f=-11!) USER MOD Single : A 144 ASN : amide:sc= -1.04 K(o=-1,f=-4.6!) USER MOD Single : A 150 TYR OH : rot 180:sc= -0.296 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 86 53.000 -11.293 -4.422 1.00 7.24 N ATOM 2 CA LYS A 86 53.013 -12.686 -3.889 1.00 7.10 C ATOM 3 C LYS A 86 52.005 -13.553 -4.649 1.00 6.94 C ATOM 4 O LYS A 86 50.948 -13.095 -5.038 1.00 7.49 O ATOM 5 CB LYS A 86 52.609 -12.553 -2.421 1.00 7.61 C ATOM 6 CG LYS A 86 53.181 -13.725 -1.624 1.00 8.01 C ATOM 7 CD LYS A 86 54.596 -13.382 -1.153 1.00 8.72 C ATOM 8 CE LYS A 86 54.538 -12.830 0.275 1.00 9.14 C ATOM 9 NZ LYS A 86 54.895 -13.982 1.147 1.00 9.95 N ATOM 0 HA LYS A 86 53.987 -13.162 -4.001 1.00 7.10 H new ATOM 0 HB2 LYS A 86 52.977 -11.610 -2.016 1.00 7.61 H new ATOM 0 HB3 LYS A 86 51.523 -12.535 -2.332 1.00 7.61 H new ATOM 0 HG2 LYS A 86 52.543 -13.941 -0.767 1.00 8.01 H new ATOM 0 HG3 LYS A 86 53.200 -14.623 -2.241 1.00 8.01 H new ATOM 0 HD2 LYS A 86 55.227 -14.270 -1.186 1.00 8.72 H new ATOM 0 HD3 LYS A 86 55.045 -12.647 -1.821 1.00 8.72 H new ATOM 0 HE2 LYS A 86 55.236 -12.003 0.407 1.00 9.14 H new ATOM 0 HE3 LYS A 86 53.544 -12.449 0.511 1.00 9.14 H new ATOM 0 HZ1 LYS A 86 54.877 -13.682 2.143 1.00 9.95 H new ATOM 0 HZ2 LYS A 86 54.209 -14.751 1.004 1.00 9.95 H new ATOM 0 HZ3 LYS A 86 55.848 -14.319 0.904 1.00 9.95 H new ATOM 25 N ASP A 87 52.323 -14.801 -4.864 1.00 6.50 N ATOM 26 CA ASP A 87 51.382 -15.694 -5.599 1.00 6.70 C ATOM 27 C ASP A 87 51.058 -16.933 -4.760 1.00 6.03 C ATOM 28 O ASP A 87 49.925 -17.367 -4.688 1.00 6.49 O ATOM 29 CB ASP A 87 52.127 -16.089 -6.875 1.00 7.25 C ATOM 30 CG ASP A 87 51.117 -16.402 -7.980 1.00 7.77 C ATOM 31 OD1 ASP A 87 50.642 -17.525 -8.022 1.00 8.06 O ATOM 32 OD2 ASP A 87 50.835 -15.513 -8.767 1.00 8.12 O ATOM 0 H ASP A 87 53.193 -15.240 -4.563 1.00 6.50 H new ATOM 0 HA ASP A 87 50.433 -15.203 -5.815 1.00 6.70 H new ATOM 0 HB2 ASP A 87 52.786 -15.280 -7.189 1.00 7.25 H new ATOM 0 HB3 ASP A 87 52.757 -16.958 -6.687 1.00 7.25 H new ATOM 37 N ASP A 88 52.043 -17.506 -4.124 1.00 5.23 N ATOM 38 CA ASP A 88 51.788 -18.717 -3.292 1.00 5.00 C ATOM 39 C ASP A 88 52.837 -18.828 -2.181 1.00 4.51 C ATOM 40 O ASP A 88 53.135 -19.905 -1.702 1.00 4.82 O ATOM 41 CB ASP A 88 51.908 -19.895 -4.260 1.00 5.14 C ATOM 42 CG ASP A 88 50.536 -20.548 -4.442 1.00 5.52 C ATOM 43 OD1 ASP A 88 50.214 -21.432 -3.665 1.00 5.82 O ATOM 44 OD2 ASP A 88 49.831 -20.154 -5.356 1.00 5.85 O ATOM 0 H ASP A 88 53.012 -17.189 -4.144 1.00 5.23 H new ATOM 0 HA ASP A 88 50.813 -18.685 -2.806 1.00 5.00 H new ATOM 0 HB2 ASP A 88 52.290 -19.552 -5.222 1.00 5.14 H new ATOM 0 HB3 ASP A 88 52.621 -20.624 -3.876 1.00 5.14 H new ATOM 49 N SER A 89 53.396 -17.725 -1.765 1.00 4.24 N ATOM 50 CA SER A 89 54.423 -17.769 -0.685 1.00 4.26 C ATOM 51 C SER A 89 55.515 -18.785 -1.031 1.00 3.50 C ATOM 52 O SER A 89 55.531 -19.890 -0.526 1.00 3.81 O ATOM 53 CB SER A 89 53.662 -18.208 0.565 1.00 5.08 C ATOM 54 OG SER A 89 54.244 -17.596 1.708 1.00 5.76 O ATOM 0 H SER A 89 53.186 -16.794 -2.126 1.00 4.24 H new ATOM 0 HA SER A 89 54.917 -16.807 -0.547 1.00 4.26 H new ATOM 0 HB2 SER A 89 52.612 -17.927 0.483 1.00 5.08 H new ATOM 0 HB3 SER A 89 53.695 -19.293 0.663 1.00 5.08 H new ATOM 0 HG SER A 89 53.757 -17.874 2.512 1.00 5.76 H new ATOM 60 N LYS A 90 56.429 -18.419 -1.887 1.00 3.10 N ATOM 61 CA LYS A 90 57.520 -19.364 -2.263 1.00 3.08 C ATOM 62 C LYS A 90 58.750 -19.125 -1.383 1.00 2.72 C ATOM 63 O LYS A 90 59.479 -20.041 -1.058 1.00 3.21 O ATOM 64 CB LYS A 90 57.835 -19.043 -3.724 1.00 3.94 C ATOM 65 CG LYS A 90 56.545 -19.081 -4.544 1.00 4.74 C ATOM 66 CD LYS A 90 56.607 -20.240 -5.541 1.00 5.61 C ATOM 67 CE LYS A 90 56.603 -21.568 -4.782 1.00 6.53 C ATOM 68 NZ LYS A 90 55.309 -21.585 -4.044 1.00 7.32 N ATOM 0 H LYS A 90 56.468 -17.507 -2.342 1.00 3.10 H new ATOM 0 HA LYS A 90 57.230 -20.406 -2.129 1.00 3.08 H new ATOM 0 HB2 LYS A 90 58.298 -18.059 -3.800 1.00 3.94 H new ATOM 0 HB3 LYS A 90 58.551 -19.763 -4.119 1.00 3.94 H new ATOM 0 HG2 LYS A 90 55.686 -19.201 -3.884 1.00 4.74 H new ATOM 0 HG3 LYS A 90 56.411 -18.138 -5.074 1.00 4.74 H new ATOM 0 HD2 LYS A 90 55.756 -20.195 -6.220 1.00 5.61 H new ATOM 0 HD3 LYS A 90 57.507 -20.161 -6.151 1.00 5.61 H new ATOM 0 HE2 LYS A 90 56.679 -22.414 -5.465 1.00 6.53 H new ATOM 0 HE3 LYS A 90 57.449 -21.634 -4.098 1.00 6.53 H new ATOM 0 HZ1 LYS A 90 54.970 -22.565 -3.960 1.00 7.32 H new ATOM 0 HZ2 LYS A 90 55.446 -21.184 -3.094 1.00 7.32 H new ATOM 0 HZ3 LYS A 90 54.607 -21.018 -4.561 1.00 7.32 H new ATOM 82 N GLY A 91 58.985 -17.901 -0.998 1.00 2.57 N ATOM 83 CA GLY A 91 60.166 -17.605 -0.141 1.00 2.96 C ATOM 84 C GLY A 91 60.417 -16.096 -0.120 1.00 2.68 C ATOM 85 O GLY A 91 59.636 -15.321 -0.637 1.00 2.94 O ATOM 0 H GLY A 91 58.410 -17.094 -1.240 1.00 2.57 H new ATOM 0 HA2 GLY A 91 59.994 -17.970 0.872 1.00 2.96 H new ATOM 0 HA3 GLY A 91 61.045 -18.125 -0.522 1.00 2.96 H new ATOM 89 N LYS A 92 61.498 -15.672 0.474 1.00 2.54 N ATOM 90 CA LYS A 92 61.795 -14.212 0.528 1.00 2.34 C ATOM 91 C LYS A 92 63.277 -13.982 0.838 1.00 2.22 C ATOM 92 O LYS A 92 63.652 -13.731 1.966 1.00 2.57 O ATOM 93 CB LYS A 92 60.919 -13.672 1.658 1.00 2.51 C ATOM 94 CG LYS A 92 59.997 -12.580 1.113 1.00 2.46 C ATOM 95 CD LYS A 92 59.691 -11.570 2.221 1.00 2.69 C ATOM 96 CE LYS A 92 60.412 -10.253 1.925 1.00 2.82 C ATOM 97 NZ LYS A 92 59.329 -9.235 1.830 1.00 3.39 N ATOM 0 H LYS A 92 62.189 -16.273 0.924 1.00 2.54 H new ATOM 0 HA LYS A 92 61.591 -13.714 -0.420 1.00 2.34 H new ATOM 0 HB2 LYS A 92 60.328 -14.479 2.091 1.00 2.51 H new ATOM 0 HB3 LYS A 92 61.543 -13.270 2.456 1.00 2.51 H new ATOM 0 HG2 LYS A 92 60.470 -12.078 0.269 1.00 2.46 H new ATOM 0 HG3 LYS A 92 59.072 -13.022 0.743 1.00 2.46 H new ATOM 0 HD2 LYS A 92 58.616 -11.401 2.287 1.00 2.69 H new ATOM 0 HD3 LYS A 92 60.012 -11.964 3.185 1.00 2.69 H new ATOM 0 HE2 LYS A 92 61.120 -10.004 2.716 1.00 2.82 H new ATOM 0 HE3 LYS A 92 60.980 -10.314 0.996 1.00 2.82 H new ATOM 0 HZ1 LYS A 92 59.745 -8.303 1.628 1.00 3.39 H new ATOM 0 HZ2 LYS A 92 58.674 -9.495 1.065 1.00 3.39 H new ATOM 0 HZ3 LYS A 92 58.810 -9.195 2.731 1.00 3.39 H new ATOM 111 N THR A 93 64.120 -14.066 -0.155 1.00 1.93 N ATOM 112 CA THR A 93 65.576 -13.852 0.084 1.00 1.88 C ATOM 113 C THR A 93 66.003 -12.483 -0.456 1.00 1.62 C ATOM 114 O THR A 93 65.182 -11.672 -0.836 1.00 1.47 O ATOM 115 CB THR A 93 66.275 -14.972 -0.688 1.00 1.99 C ATOM 116 OG1 THR A 93 65.749 -15.036 -2.006 1.00 2.05 O ATOM 117 CG2 THR A 93 66.042 -16.306 0.021 1.00 2.53 C ATOM 0 H THR A 93 63.864 -14.273 -1.120 1.00 1.93 H new ATOM 0 HA THR A 93 65.827 -13.870 1.145 1.00 1.88 H new ATOM 0 HB THR A 93 67.345 -14.769 -0.733 1.00 1.99 H new ATOM 0 HG1 THR A 93 66.197 -15.752 -2.503 1.00 2.05 H new ATOM 0 HG21 THR A 93 66.541 -17.103 -0.530 1.00 2.53 H new ATOM 0 HG22 THR A 93 66.446 -16.256 1.032 1.00 2.53 H new ATOM 0 HG23 THR A 93 64.973 -16.511 0.068 1.00 2.53 H new ATOM 125 N GLU A 94 67.280 -12.221 -0.495 1.00 1.64 N ATOM 126 CA GLU A 94 67.754 -10.905 -1.013 1.00 1.49 C ATOM 127 C GLU A 94 67.281 -10.708 -2.455 1.00 1.41 C ATOM 128 O GLU A 94 67.274 -9.608 -2.972 1.00 1.36 O ATOM 129 CB GLU A 94 69.280 -10.980 -0.951 1.00 1.64 C ATOM 130 CG GLU A 94 69.884 -9.872 -1.816 1.00 1.85 C ATOM 131 CD GLU A 94 71.011 -9.181 -1.047 1.00 2.27 C ATOM 132 OE1 GLU A 94 70.727 -8.609 -0.008 1.00 2.65 O ATOM 133 OE2 GLU A 94 72.138 -9.235 -1.511 1.00 2.83 O ATOM 0 H GLU A 94 68.015 -12.859 -0.191 1.00 1.64 H new ATOM 0 HA GLU A 94 67.366 -10.067 -0.434 1.00 1.49 H new ATOM 0 HB2 GLU A 94 69.618 -10.875 0.080 1.00 1.64 H new ATOM 0 HB3 GLU A 94 69.621 -11.955 -1.300 1.00 1.64 H new ATOM 0 HG2 GLU A 94 70.268 -10.291 -2.746 1.00 1.85 H new ATOM 0 HG3 GLU A 94 69.116 -9.147 -2.086 1.00 1.85 H new ATOM 140 N GLU A 95 66.883 -11.765 -3.108 1.00 1.47 N ATOM 141 CA GLU A 95 66.408 -11.638 -4.516 1.00 1.49 C ATOM 142 C GLU A 95 65.030 -10.974 -4.546 1.00 1.39 C ATOM 143 O GLU A 95 64.702 -10.241 -5.458 1.00 1.40 O ATOM 144 CB GLU A 95 66.326 -13.072 -5.038 1.00 1.68 C ATOM 145 CG GLU A 95 67.689 -13.749 -4.889 1.00 2.03 C ATOM 146 CD GLU A 95 67.655 -15.119 -5.569 1.00 2.24 C ATOM 147 OE1 GLU A 95 66.847 -15.295 -6.466 1.00 2.56 O ATOM 148 OE2 GLU A 95 68.438 -15.970 -5.182 1.00 2.72 O ATOM 0 H GLU A 95 66.866 -12.711 -2.728 1.00 1.47 H new ATOM 0 HA GLU A 95 67.071 -11.023 -5.124 1.00 1.49 H new ATOM 0 HB2 GLU A 95 65.569 -13.629 -4.485 1.00 1.68 H new ATOM 0 HB3 GLU A 95 66.021 -13.072 -6.084 1.00 1.68 H new ATOM 0 HG2 GLU A 95 68.466 -13.129 -5.336 1.00 2.03 H new ATOM 0 HG3 GLU A 95 67.938 -13.861 -3.834 1.00 2.03 H new ATOM 155 N GLU A 96 64.220 -11.221 -3.553 1.00 1.38 N ATOM 156 CA GLU A 96 62.864 -10.602 -3.524 1.00 1.34 C ATOM 157 C GLU A 96 62.951 -9.172 -2.983 1.00 1.16 C ATOM 158 O GLU A 96 62.306 -8.270 -3.479 1.00 1.07 O ATOM 159 CB GLU A 96 62.046 -11.484 -2.580 1.00 1.51 C ATOM 160 CG GLU A 96 61.666 -12.781 -3.295 1.00 2.07 C ATOM 161 CD GLU A 96 60.311 -13.270 -2.779 1.00 2.19 C ATOM 162 OE1 GLU A 96 59.889 -12.796 -1.737 1.00 2.61 O ATOM 163 OE2 GLU A 96 59.717 -14.110 -3.436 1.00 2.60 O ATOM 0 H GLU A 96 64.438 -11.825 -2.760 1.00 1.38 H new ATOM 0 HA GLU A 96 62.414 -10.541 -4.515 1.00 1.34 H new ATOM 0 HB2 GLU A 96 62.623 -11.707 -1.682 1.00 1.51 H new ATOM 0 HB3 GLU A 96 61.148 -10.956 -2.259 1.00 1.51 H new ATOM 0 HG2 GLU A 96 61.619 -12.615 -4.371 1.00 2.07 H new ATOM 0 HG3 GLU A 96 62.428 -13.541 -3.123 1.00 2.07 H new ATOM 170 N LEU A 97 63.746 -8.959 -1.970 1.00 1.14 N ATOM 171 CA LEU A 97 63.875 -7.587 -1.399 1.00 0.99 C ATOM 172 C LEU A 97 64.360 -6.615 -2.478 1.00 0.82 C ATOM 173 O LEU A 97 63.751 -5.592 -2.724 1.00 0.70 O ATOM 174 CB LEU A 97 64.914 -7.716 -0.286 1.00 1.03 C ATOM 175 CG LEU A 97 64.235 -8.205 0.995 1.00 1.31 C ATOM 176 CD1 LEU A 97 64.958 -9.449 1.515 1.00 1.57 C ATOM 177 CD2 LEU A 97 64.294 -7.103 2.055 1.00 1.71 C ATOM 0 H LEU A 97 64.311 -9.675 -1.513 1.00 1.14 H new ATOM 0 HA LEU A 97 62.926 -7.202 -1.025 1.00 0.99 H new ATOM 0 HB2 LEU A 97 65.696 -8.414 -0.584 1.00 1.03 H new ATOM 0 HB3 LEU A 97 65.395 -6.754 -0.110 1.00 1.03 H new ATOM 0 HG LEU A 97 63.195 -8.452 0.782 1.00 1.31 H new ATOM 0 HD11 LEU A 97 64.474 -9.797 2.428 1.00 1.57 H new ATOM 0 HD12 LEU A 97 64.918 -10.235 0.761 1.00 1.57 H new ATOM 0 HD13 LEU A 97 65.998 -9.203 1.728 1.00 1.57 H new ATOM 0 HD21 LEU A 97 63.811 -7.450 2.968 1.00 1.71 H new ATOM 0 HD22 LEU A 97 65.335 -6.857 2.266 1.00 1.71 H new ATOM 0 HD23 LEU A 97 63.779 -6.216 1.687 1.00 1.71 H new ATOM 189 N SER A 98 65.449 -6.927 -3.125 1.00 0.87 N ATOM 190 CA SER A 98 65.969 -6.022 -4.190 1.00 0.78 C ATOM 191 C SER A 98 64.942 -5.894 -5.318 1.00 0.75 C ATOM 192 O SER A 98 64.849 -4.875 -5.972 1.00 0.74 O ATOM 193 CB SER A 98 67.244 -6.696 -4.695 1.00 0.93 C ATOM 194 OG SER A 98 66.895 -7.794 -5.528 1.00 1.41 O ATOM 0 H SER A 98 66.001 -7.769 -2.963 1.00 0.87 H new ATOM 0 HA SER A 98 66.162 -5.015 -3.821 1.00 0.78 H new ATOM 0 HB2 SER A 98 67.852 -5.982 -5.251 1.00 0.93 H new ATOM 0 HB3 SER A 98 67.846 -7.040 -3.853 1.00 0.93 H new ATOM 0 HG SER A 98 66.913 -8.621 -5.003 1.00 1.41 H new ATOM 200 N ASP A 99 64.169 -6.921 -5.547 1.00 0.80 N ATOM 201 CA ASP A 99 63.146 -6.857 -6.630 1.00 0.82 C ATOM 202 C ASP A 99 62.106 -5.782 -6.310 1.00 0.77 C ATOM 203 O ASP A 99 61.634 -5.082 -7.183 1.00 0.77 O ATOM 204 CB ASP A 99 62.499 -8.243 -6.646 1.00 0.93 C ATOM 205 CG ASP A 99 62.866 -8.962 -7.945 1.00 1.45 C ATOM 206 OD1 ASP A 99 62.164 -8.772 -8.924 1.00 2.18 O ATOM 207 OD2 ASP A 99 63.843 -9.693 -7.937 1.00 1.92 O ATOM 0 H ASP A 99 64.202 -7.801 -5.032 1.00 0.80 H new ATOM 0 HA ASP A 99 63.581 -6.600 -7.596 1.00 0.82 H new ATOM 0 HB2 ASP A 99 62.837 -8.824 -5.788 1.00 0.93 H new ATOM 0 HB3 ASP A 99 61.416 -8.152 -6.562 1.00 0.93 H new ATOM 212 N LEU A 100 61.746 -5.643 -5.063 1.00 0.77 N ATOM 213 CA LEU A 100 60.739 -4.609 -4.691 1.00 0.77 C ATOM 214 C LEU A 100 61.274 -3.215 -5.026 1.00 0.64 C ATOM 215 O LEU A 100 60.613 -2.423 -5.666 1.00 0.64 O ATOM 216 CB LEU A 100 60.546 -4.765 -3.182 1.00 0.85 C ATOM 217 CG LEU A 100 59.762 -6.047 -2.898 1.00 1.16 C ATOM 218 CD1 LEU A 100 59.873 -6.397 -1.413 1.00 1.54 C ATOM 219 CD2 LEU A 100 58.291 -5.836 -3.263 1.00 1.57 C ATOM 0 H LEU A 100 62.105 -6.200 -4.287 1.00 0.77 H new ATOM 0 HA LEU A 100 59.800 -4.729 -5.232 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.514 -4.800 -2.682 1.00 0.85 H new ATOM 0 HB3 LEU A 100 60.012 -3.903 -2.782 1.00 0.85 H new ATOM 0 HG LEU A 100 60.172 -6.862 -3.494 1.00 1.16 H new ATOM 0 HD11 LEU A 100 59.314 -7.311 -1.212 1.00 1.54 H new ATOM 0 HD12 LEU A 100 60.921 -6.548 -1.152 1.00 1.54 H new ATOM 0 HD13 LEU A 100 59.464 -5.582 -0.816 1.00 1.54 H new ATOM 0 HD21 LEU A 100 57.731 -6.749 -3.061 1.00 1.57 H new ATOM 0 HD22 LEU A 100 57.882 -5.020 -2.667 1.00 1.57 H new ATOM 0 HD23 LEU A 100 58.211 -5.588 -4.321 1.00 1.57 H new ATOM 231 N PHE A 101 62.471 -2.913 -4.603 1.00 0.60 N ATOM 232 CA PHE A 101 63.053 -1.572 -4.902 1.00 0.53 C ATOM 233 C PHE A 101 62.839 -1.221 -6.377 1.00 0.49 C ATOM 234 O PHE A 101 62.184 -0.252 -6.706 1.00 0.61 O ATOM 235 CB PHE A 101 64.545 -1.717 -4.593 1.00 0.57 C ATOM 236 CG PHE A 101 65.198 -0.353 -4.494 1.00 0.46 C ATOM 237 CD1 PHE A 101 64.515 0.798 -4.913 1.00 1.23 C ATOM 238 CD2 PHE A 101 66.497 -0.246 -3.986 1.00 1.31 C ATOM 239 CE1 PHE A 101 65.133 2.051 -4.820 1.00 1.23 C ATOM 240 CE2 PHE A 101 67.112 1.007 -3.893 1.00 1.30 C ATOM 241 CZ PHE A 101 66.431 2.155 -4.310 1.00 0.40 C ATOM 0 H PHE A 101 63.072 -3.536 -4.063 1.00 0.60 H new ATOM 0 HA PHE A 101 62.590 -0.777 -4.318 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.678 -2.260 -3.657 1.00 0.57 H new ATOM 0 HB3 PHE A 101 65.029 -2.304 -5.374 1.00 0.57 H new ATOM 0 HD1 PHE A 101 63.513 0.718 -5.307 1.00 1.23 H new ATOM 0 HD2 PHE A 101 67.026 -1.132 -3.665 1.00 1.31 H new ATOM 0 HE1 PHE A 101 64.607 2.938 -5.142 1.00 1.23 H new ATOM 0 HE2 PHE A 101 68.114 1.088 -3.499 1.00 1.30 H new ATOM 0 HZ PHE A 101 66.907 3.122 -4.238 1.00 0.40 H new ATOM 251 N ARG A 102 63.387 -2.002 -7.268 1.00 0.53 N ATOM 252 CA ARG A 102 63.214 -1.710 -8.721 1.00 0.70 C ATOM 253 C ARG A 102 61.754 -1.919 -9.131 1.00 0.80 C ATOM 254 O ARG A 102 61.310 -1.433 -10.153 1.00 1.09 O ATOM 255 CB ARG A 102 64.123 -2.710 -9.435 1.00 0.87 C ATOM 256 CG ARG A 102 63.749 -2.776 -10.917 1.00 1.28 C ATOM 257 CD ARG A 102 64.742 -3.678 -11.654 1.00 1.83 C ATOM 258 NE ARG A 102 63.934 -4.372 -12.693 1.00 2.26 N ATOM 259 CZ ARG A 102 63.781 -5.667 -12.644 1.00 2.89 C ATOM 260 NH1 ARG A 102 64.779 -6.454 -12.941 1.00 3.68 N ATOM 261 NH2 ARG A 102 62.630 -6.175 -12.299 1.00 3.22 N ATOM 0 H ARG A 102 63.946 -2.828 -7.054 1.00 0.53 H new ATOM 0 HA ARG A 102 63.468 -0.680 -8.970 1.00 0.70 H new ATOM 0 HB2 ARG A 102 65.166 -2.412 -9.326 1.00 0.87 H new ATOM 0 HB3 ARG A 102 64.024 -3.696 -8.980 1.00 0.87 H new ATOM 0 HG2 ARG A 102 62.736 -3.163 -11.031 1.00 1.28 H new ATOM 0 HG3 ARG A 102 63.759 -1.776 -11.350 1.00 1.28 H new ATOM 0 HD2 ARG A 102 65.546 -3.095 -12.103 1.00 1.83 H new ATOM 0 HD3 ARG A 102 65.207 -4.392 -10.974 1.00 1.83 H new ATOM 0 HE ARG A 102 63.500 -3.835 -13.444 1.00 2.26 H new ATOM 0 HH11 ARG A 102 65.679 -6.057 -13.211 1.00 3.68 H new ATOM 0 HH12 ARG A 102 64.659 -7.466 -12.903 1.00 3.68 H new ATOM 0 HH21 ARG A 102 61.850 -5.560 -12.068 1.00 3.22 H new ATOM 0 HH22 ARG A 102 62.510 -7.187 -12.261 1.00 3.22 H new ATOM 275 N MET A 103 61.005 -2.641 -8.344 1.00 0.68 N ATOM 276 CA MET A 103 59.574 -2.884 -8.692 1.00 0.81 C ATOM 277 C MET A 103 58.667 -1.878 -7.973 1.00 0.79 C ATOM 278 O MET A 103 57.460 -1.914 -8.106 1.00 0.90 O ATOM 279 CB MET A 103 59.285 -4.304 -8.208 1.00 0.91 C ATOM 280 CG MET A 103 57.834 -4.668 -8.530 1.00 1.35 C ATOM 281 SD MET A 103 57.702 -6.455 -8.784 1.00 1.92 S ATOM 282 CE MET A 103 58.171 -6.957 -7.110 1.00 1.63 C ATOM 0 H MET A 103 61.320 -3.073 -7.476 1.00 0.68 H new ATOM 0 HA MET A 103 59.387 -2.768 -9.760 1.00 0.81 H new ATOM 0 HB2 MET A 103 59.963 -5.009 -8.689 1.00 0.91 H new ATOM 0 HB3 MET A 103 59.460 -4.376 -7.134 1.00 0.91 H new ATOM 0 HG2 MET A 103 57.180 -4.357 -7.715 1.00 1.35 H new ATOM 0 HG3 MET A 103 57.505 -4.138 -9.423 1.00 1.35 H new ATOM 0 HE1 MET A 103 57.905 -8.003 -6.956 1.00 1.63 H new ATOM 0 HE2 MET A 103 59.246 -6.834 -6.981 1.00 1.63 H new ATOM 0 HE3 MET A 103 57.645 -6.338 -6.384 1.00 1.63 H new ATOM 292 N PHE A 104 59.237 -0.979 -7.215 1.00 0.71 N ATOM 293 CA PHE A 104 58.400 0.025 -6.495 1.00 0.75 C ATOM 294 C PHE A 104 58.980 1.429 -6.674 1.00 0.68 C ATOM 295 O PHE A 104 58.494 2.387 -6.108 1.00 0.80 O ATOM 296 CB PHE A 104 58.448 -0.389 -5.023 1.00 0.76 C ATOM 297 CG PHE A 104 57.208 -1.181 -4.684 1.00 1.03 C ATOM 298 CD1 PHE A 104 55.951 -0.567 -4.727 1.00 1.71 C ATOM 299 CD2 PHE A 104 57.316 -2.531 -4.328 1.00 1.67 C ATOM 300 CE1 PHE A 104 54.801 -1.302 -4.413 1.00 2.03 C ATOM 301 CE2 PHE A 104 56.167 -3.266 -4.014 1.00 1.90 C ATOM 302 CZ PHE A 104 54.909 -2.652 -4.057 1.00 1.76 C ATOM 0 H PHE A 104 60.242 -0.896 -7.064 1.00 0.71 H new ATOM 0 HA PHE A 104 57.379 0.052 -6.876 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.339 -0.987 -4.831 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.514 0.494 -4.387 1.00 0.76 H new ATOM 0 HD1 PHE A 104 55.868 0.474 -5.002 1.00 1.71 H new ATOM 0 HD2 PHE A 104 58.286 -3.005 -4.296 1.00 1.67 H new ATOM 0 HE1 PHE A 104 53.831 -0.828 -4.445 1.00 2.03 H new ATOM 0 HE2 PHE A 104 56.251 -4.307 -3.738 1.00 1.90 H new ATOM 0 HZ PHE A 104 54.022 -3.220 -3.816 1.00 1.76 H new ATOM 312 N ASP A 105 60.014 1.560 -7.457 1.00 0.58 N ATOM 313 CA ASP A 105 60.618 2.907 -7.669 1.00 0.52 C ATOM 314 C ASP A 105 59.738 3.731 -8.611 1.00 0.52 C ATOM 315 O ASP A 105 60.007 3.840 -9.791 1.00 0.60 O ATOM 316 CB ASP A 105 61.983 2.636 -8.305 1.00 0.60 C ATOM 317 CG ASP A 105 62.907 3.831 -8.060 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.424 4.839 -7.571 1.00 0.48 O ATOM 319 OD2 ASP A 105 64.084 3.717 -8.364 1.00 0.54 O ATOM 0 H ASP A 105 60.467 0.796 -7.958 1.00 0.58 H new ATOM 0 HA ASP A 105 60.710 3.472 -6.741 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.420 1.732 -7.881 1.00 0.60 H new ATOM 0 HB3 ASP A 105 61.870 2.464 -9.375 1.00 0.60 H new ATOM 324 N LYS A 106 58.686 4.312 -8.100 1.00 0.51 N ATOM 325 CA LYS A 106 57.791 5.128 -8.969 1.00 0.60 C ATOM 326 C LYS A 106 58.618 6.130 -9.779 1.00 0.59 C ATOM 327 O LYS A 106 58.258 6.500 -10.879 1.00 0.70 O ATOM 328 CB LYS A 106 56.856 5.860 -8.004 1.00 0.63 C ATOM 329 CG LYS A 106 56.062 6.919 -8.771 1.00 1.39 C ATOM 330 CD LYS A 106 55.343 6.264 -9.952 1.00 1.58 C ATOM 331 CE LYS A 106 54.585 5.025 -9.468 1.00 2.00 C ATOM 332 NZ LYS A 106 53.433 4.888 -10.402 1.00 2.79 N ATOM 0 H LYS A 106 58.408 4.257 -7.120 1.00 0.51 H new ATOM 0 HA LYS A 106 57.239 4.517 -9.683 1.00 0.60 H new ATOM 0 HB2 LYS A 106 56.176 5.151 -7.531 1.00 0.63 H new ATOM 0 HB3 LYS A 106 57.433 6.329 -7.207 1.00 0.63 H new ATOM 0 HG2 LYS A 106 55.338 7.395 -8.110 1.00 1.39 H new ATOM 0 HG3 LYS A 106 56.731 7.702 -9.128 1.00 1.39 H new ATOM 0 HD2 LYS A 106 54.650 6.972 -10.407 1.00 1.58 H new ATOM 0 HD3 LYS A 106 56.064 5.985 -10.720 1.00 1.58 H new ATOM 0 HE2 LYS A 106 55.220 4.139 -9.492 1.00 2.00 H new ATOM 0 HE3 LYS A 106 54.246 5.146 -8.439 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 52.865 4.059 -10.134 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 52.842 5.743 -10.352 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 53.786 4.767 -11.373 1.00 2.79 H new ATOM 346 N ASN A 107 59.723 6.570 -9.243 1.00 0.53 N ATOM 347 CA ASN A 107 60.570 7.546 -9.986 1.00 0.59 C ATOM 348 C ASN A 107 61.598 6.805 -10.845 1.00 0.60 C ATOM 349 O ASN A 107 62.058 7.307 -11.853 1.00 0.71 O ATOM 350 CB ASN A 107 61.269 8.369 -8.906 1.00 0.62 C ATOM 351 CG ASN A 107 62.386 9.200 -9.537 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.422 9.406 -8.935 1.00 1.50 O ATOM 353 ND2 ASN A 107 62.220 9.691 -10.735 1.00 1.67 N ATOM 0 H ASN A 107 60.076 6.297 -8.326 1.00 0.53 H new ATOM 0 HA ASN A 107 59.984 8.172 -10.659 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.551 9.023 -8.411 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.680 7.710 -8.141 1.00 0.62 H new ATOM 0 HD21 ASN A 107 62.959 10.247 -11.165 1.00 1.67 H new ATOM 0 HD22 ASN A 107 61.351 9.519 -11.241 1.00 1.67 H new ATOM 360 N ALA A 108 61.961 5.613 -10.457 1.00 0.56 N ATOM 361 CA ALA A 108 62.958 4.839 -11.251 1.00 0.62 C ATOM 362 C ALA A 108 64.260 5.634 -11.389 1.00 0.64 C ATOM 363 O ALA A 108 64.600 6.107 -12.455 1.00 0.78 O ATOM 364 CB ALA A 108 62.306 4.639 -12.620 1.00 0.72 C ATOM 0 H ALA A 108 61.610 5.141 -9.624 1.00 0.56 H new ATOM 0 HA ALA A 108 63.214 3.891 -10.778 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.980 4.075 -13.265 1.00 0.72 H new ATOM 0 HB2 ALA A 108 61.372 4.089 -12.502 1.00 0.72 H new ATOM 0 HB3 ALA A 108 62.100 5.610 -13.070 1.00 0.72 H new ATOM 370 N ASP A 109 64.990 5.784 -10.318 1.00 0.57 N ATOM 371 CA ASP A 109 66.269 6.548 -10.388 1.00 0.63 C ATOM 372 C ASP A 109 67.318 5.913 -9.470 1.00 0.63 C ATOM 373 O ASP A 109 68.370 6.474 -9.234 1.00 0.76 O ATOM 374 CB ASP A 109 65.916 7.955 -9.904 1.00 0.62 C ATOM 375 CG ASP A 109 65.560 7.909 -8.416 1.00 0.70 C ATOM 376 OD1 ASP A 109 64.824 7.015 -8.030 1.00 0.75 O ATOM 377 OD2 ASP A 109 66.028 8.769 -7.689 1.00 1.20 O ATOM 0 H ASP A 109 64.757 5.411 -9.398 1.00 0.57 H new ATOM 0 HA ASP A 109 66.690 6.555 -11.393 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.757 8.629 -10.067 1.00 0.62 H new ATOM 0 HB3 ASP A 109 65.077 8.348 -10.478 1.00 0.62 H new ATOM 382 N GLY A 110 67.041 4.749 -8.949 1.00 0.58 N ATOM 383 CA GLY A 110 68.023 4.084 -8.045 1.00 0.62 C ATOM 384 C GLY A 110 67.695 4.431 -6.592 1.00 0.54 C ATOM 385 O GLY A 110 68.246 3.866 -5.668 1.00 0.57 O ATOM 0 H GLY A 110 66.178 4.230 -9.110 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.992 3.004 -8.188 1.00 0.62 H new ATOM 0 HA3 GLY A 110 69.035 4.408 -8.288 1.00 0.62 H new ATOM 389 N TYR A 111 66.798 5.356 -6.385 1.00 0.50 N ATOM 390 CA TYR A 111 66.427 5.743 -4.994 1.00 0.48 C ATOM 391 C TYR A 111 64.926 6.027 -4.917 1.00 0.42 C ATOM 392 O TYR A 111 64.255 6.129 -5.924 1.00 0.52 O ATOM 393 CB TYR A 111 67.226 7.015 -4.708 1.00 0.52 C ATOM 394 CG TYR A 111 68.668 6.803 -5.105 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.073 7.039 -6.425 1.00 1.38 C ATOM 396 CD2 TYR A 111 69.600 6.372 -4.153 1.00 1.36 C ATOM 397 CE1 TYR A 111 70.409 6.842 -6.793 1.00 1.46 C ATOM 398 CE2 TYR A 111 70.937 6.174 -4.522 1.00 1.40 C ATOM 399 CZ TYR A 111 71.341 6.410 -5.842 1.00 0.83 C ATOM 400 OH TYR A 111 72.659 6.216 -6.205 1.00 0.97 O ATOM 0 H TYR A 111 66.305 5.862 -7.121 1.00 0.50 H new ATOM 0 HA TYR A 111 66.645 4.956 -4.272 1.00 0.48 H new ATOM 0 HB2 TYR A 111 66.805 7.854 -5.262 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.162 7.267 -3.649 1.00 0.52 H new ATOM 0 HD1 TYR A 111 68.354 7.373 -7.159 1.00 1.38 H new ATOM 0 HD2 TYR A 111 69.288 6.192 -3.135 1.00 1.36 H new ATOM 0 HE1 TYR A 111 70.721 7.023 -7.811 1.00 1.46 H new ATOM 0 HE2 TYR A 111 71.656 5.839 -3.789 1.00 1.40 H new ATOM 0 HH TYR A 111 73.172 5.917 -5.426 1.00 0.97 H new ATOM 410 N ILE A 112 64.391 6.155 -3.734 1.00 0.36 N ATOM 411 CA ILE A 112 62.931 6.435 -3.607 1.00 0.32 C ATOM 412 C ILE A 112 62.679 7.520 -2.565 1.00 0.35 C ATOM 413 O ILE A 112 63.167 7.460 -1.455 1.00 0.43 O ATOM 414 CB ILE A 112 62.305 5.121 -3.175 1.00 0.32 C ATOM 415 CG1 ILE A 112 62.826 4.030 -4.116 1.00 0.40 C ATOM 416 CG2 ILE A 112 60.778 5.245 -3.268 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.734 3.005 -4.420 1.00 0.46 C ATOM 0 H ILE A 112 64.898 6.078 -2.852 1.00 0.36 H new ATOM 0 HA ILE A 112 62.506 6.797 -4.543 1.00 0.32 H new ATOM 0 HB ILE A 112 62.565 4.870 -2.147 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.175 4.481 -5.045 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.682 3.531 -3.662 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.317 4.306 -2.960 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.438 6.048 -2.614 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.493 5.469 -4.296 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.128 2.241 -5.090 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.404 2.539 -3.492 1.00 0.46 H new ATOM 0 HD13 ILE A 112 60.889 3.503 -4.896 1.00 0.46 H new ATOM 429 N ASP A 113 61.916 8.509 -2.918 1.00 0.36 N ATOM 430 CA ASP A 113 61.624 9.607 -1.950 1.00 0.44 C ATOM 431 C ASP A 113 60.318 9.320 -1.205 1.00 0.44 C ATOM 432 O ASP A 113 59.619 8.373 -1.502 1.00 0.60 O ATOM 433 CB ASP A 113 61.496 10.871 -2.803 1.00 0.56 C ATOM 434 CG ASP A 113 60.299 10.740 -3.745 1.00 0.94 C ATOM 435 OD1 ASP A 113 59.181 10.810 -3.263 1.00 1.58 O ATOM 436 OD2 ASP A 113 60.521 10.575 -4.933 1.00 1.53 O ATOM 0 H ASP A 113 61.479 8.610 -3.834 1.00 0.36 H new ATOM 0 HA ASP A 113 62.403 9.709 -1.194 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.372 11.743 -2.161 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.408 11.026 -3.379 1.00 0.56 H new ATOM 441 N LEU A 114 59.989 10.126 -0.234 1.00 0.47 N ATOM 442 CA LEU A 114 58.730 9.895 0.535 1.00 0.47 C ATOM 443 C LEU A 114 57.534 9.777 -0.414 1.00 0.50 C ATOM 444 O LEU A 114 56.852 8.771 -0.446 1.00 0.52 O ATOM 445 CB LEU A 114 58.583 11.127 1.429 1.00 0.57 C ATOM 446 CG LEU A 114 59.089 10.805 2.835 1.00 0.68 C ATOM 447 CD1 LEU A 114 58.147 9.801 3.501 1.00 1.36 C ATOM 448 CD2 LEU A 114 60.493 10.205 2.747 1.00 1.57 C ATOM 0 H LEU A 114 60.536 10.935 0.062 1.00 0.47 H new ATOM 0 HA LEU A 114 58.766 8.970 1.111 1.00 0.47 H new ATOM 0 HB2 LEU A 114 59.147 11.961 1.011 1.00 0.57 H new ATOM 0 HB3 LEU A 114 57.539 11.437 1.470 1.00 0.57 H new ATOM 0 HG LEU A 114 59.121 11.720 3.427 1.00 0.68 H new ATOM 0 HD11 LEU A 114 58.509 9.572 4.503 1.00 1.36 H new ATOM 0 HD12 LEU A 114 57.146 10.228 3.565 1.00 1.36 H new ATOM 0 HD13 LEU A 114 58.114 8.886 2.910 1.00 1.36 H new ATOM 0 HD21 LEU A 114 60.854 9.975 3.750 1.00 1.57 H new ATOM 0 HD22 LEU A 114 60.461 9.291 2.154 1.00 1.57 H new ATOM 0 HD23 LEU A 114 61.166 10.921 2.274 1.00 1.57 H new ATOM 460 N GLU A 115 57.269 10.799 -1.179 1.00 0.56 N ATOM 461 CA GLU A 115 56.110 10.754 -2.119 1.00 0.64 C ATOM 462 C GLU A 115 56.098 9.438 -2.903 1.00 0.56 C ATOM 463 O GLU A 115 55.071 9.006 -3.388 1.00 0.61 O ATOM 464 CB GLU A 115 56.323 11.937 -3.063 1.00 0.77 C ATOM 465 CG GLU A 115 55.355 13.064 -2.696 1.00 1.54 C ATOM 466 CD GLU A 115 54.146 13.027 -3.633 1.00 2.04 C ATOM 467 OE1 GLU A 115 54.220 13.632 -4.689 1.00 2.45 O ATOM 468 OE2 GLU A 115 53.166 12.392 -3.277 1.00 2.67 O ATOM 0 H GLU A 115 57.805 11.666 -1.195 1.00 0.56 H new ATOM 0 HA GLU A 115 55.156 10.812 -1.594 1.00 0.64 H new ATOM 0 HB2 GLU A 115 57.352 12.290 -2.994 1.00 0.77 H new ATOM 0 HB3 GLU A 115 56.161 11.626 -4.095 1.00 0.77 H new ATOM 0 HG2 GLU A 115 55.030 12.955 -1.661 1.00 1.54 H new ATOM 0 HG3 GLU A 115 55.858 14.028 -2.772 1.00 1.54 H new ATOM 475 N GLU A 116 57.227 8.799 -3.035 1.00 0.49 N ATOM 476 CA GLU A 116 57.269 7.515 -3.792 1.00 0.45 C ATOM 477 C GLU A 116 56.891 6.344 -2.882 1.00 0.43 C ATOM 478 O GLU A 116 56.129 5.475 -3.258 1.00 0.51 O ATOM 479 CB GLU A 116 58.716 7.380 -4.266 1.00 0.42 C ATOM 480 CG GLU A 116 58.925 8.233 -5.519 1.00 0.94 C ATOM 481 CD GLU A 116 60.282 7.903 -6.141 1.00 0.85 C ATOM 482 OE1 GLU A 116 60.541 6.731 -6.363 1.00 1.28 O ATOM 483 OE2 GLU A 116 61.040 8.826 -6.386 1.00 1.43 O ATOM 0 H GLU A 116 58.121 9.109 -2.653 1.00 0.49 H new ATOM 0 HA GLU A 116 56.564 7.507 -4.623 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.399 7.698 -3.478 1.00 0.42 H new ATOM 0 HB3 GLU A 116 58.943 6.336 -4.482 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.128 8.043 -6.238 1.00 0.94 H new ATOM 0 HG3 GLU A 116 58.878 9.291 -5.263 1.00 0.94 H new ATOM 490 N LEU A 117 57.414 6.310 -1.685 1.00 0.37 N ATOM 491 CA LEU A 117 57.077 5.190 -0.761 1.00 0.42 C ATOM 492 C LEU A 117 55.577 5.192 -0.460 1.00 0.50 C ATOM 493 O LEU A 117 54.995 4.173 -0.142 1.00 0.58 O ATOM 494 CB LEU A 117 57.882 5.460 0.509 1.00 0.43 C ATOM 495 CG LEU A 117 57.878 4.209 1.390 1.00 0.61 C ATOM 496 CD1 LEU A 117 58.902 3.205 0.859 1.00 0.90 C ATOM 497 CD2 LEU A 117 58.241 4.595 2.826 1.00 1.53 C ATOM 0 H LEU A 117 58.057 7.007 -1.309 1.00 0.37 H new ATOM 0 HA LEU A 117 57.315 4.216 -1.189 1.00 0.42 H new ATOM 0 HB2 LEU A 117 58.905 5.734 0.253 1.00 0.43 H new ATOM 0 HB3 LEU A 117 57.453 6.302 1.052 1.00 0.43 H new ATOM 0 HG LEU A 117 56.886 3.758 1.373 1.00 0.61 H new ATOM 0 HD11 LEU A 117 58.898 2.314 1.487 1.00 0.90 H new ATOM 0 HD12 LEU A 117 58.644 2.929 -0.163 1.00 0.90 H new ATOM 0 HD13 LEU A 117 59.895 3.655 0.874 1.00 0.90 H new ATOM 0 HD21 LEU A 117 58.238 3.704 3.454 1.00 1.53 H new ATOM 0 HD22 LEU A 117 59.233 5.047 2.842 1.00 1.53 H new ATOM 0 HD23 LEU A 117 57.511 5.309 3.206 1.00 1.53 H new ATOM 509 N LYS A 118 54.943 6.328 -0.561 1.00 0.52 N ATOM 510 CA LYS A 118 53.480 6.392 -0.287 1.00 0.63 C ATOM 511 C LYS A 118 52.720 5.552 -1.315 1.00 0.71 C ATOM 512 O LYS A 118 51.756 4.884 -0.997 1.00 0.83 O ATOM 513 CB LYS A 118 53.113 7.871 -0.427 1.00 0.68 C ATOM 514 CG LYS A 118 54.140 8.726 0.318 1.00 1.05 C ATOM 515 CD LYS A 118 53.415 9.717 1.231 1.00 1.33 C ATOM 516 CE LYS A 118 54.440 10.475 2.078 1.00 1.49 C ATOM 517 NZ LYS A 118 54.811 11.663 1.260 1.00 1.82 N ATOM 0 H LYS A 118 55.375 7.215 -0.821 1.00 0.52 H new ATOM 0 HA LYS A 118 53.225 6.003 0.699 1.00 0.63 H new ATOM 0 HB2 LYS A 118 53.086 8.152 -1.480 1.00 0.68 H new ATOM 0 HB3 LYS A 118 52.116 8.049 -0.024 1.00 0.68 H new ATOM 0 HG2 LYS A 118 54.800 8.089 0.907 1.00 1.05 H new ATOM 0 HG3 LYS A 118 54.767 9.263 -0.394 1.00 1.05 H new ATOM 0 HD2 LYS A 118 52.831 10.418 0.634 1.00 1.33 H new ATOM 0 HD3 LYS A 118 52.714 9.187 1.877 1.00 1.33 H new ATOM 0 HE2 LYS A 118 54.017 10.773 3.037 1.00 1.49 H new ATOM 0 HE3 LYS A 118 55.311 9.855 2.292 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 55.333 12.342 1.850 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 55.410 11.363 0.464 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 53.949 12.115 0.893 1.00 1.82 H new ATOM 531 N ILE A 119 53.149 5.578 -2.547 1.00 0.72 N ATOM 532 CA ILE A 119 52.457 4.779 -3.596 1.00 0.84 C ATOM 533 C ILE A 119 52.778 3.291 -3.421 1.00 0.86 C ATOM 534 O ILE A 119 51.914 2.444 -3.529 1.00 0.96 O ATOM 535 CB ILE A 119 53.009 5.307 -4.922 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.286 6.603 -5.285 1.00 1.00 C ATOM 537 CG2 ILE A 119 52.785 4.274 -6.029 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.183 7.453 -6.181 1.00 1.08 C ATOM 0 H ILE A 119 53.950 6.119 -2.872 1.00 0.72 H new ATOM 0 HA ILE A 119 51.372 4.873 -3.546 1.00 0.84 H new ATOM 0 HB ILE A 119 54.078 5.494 -4.819 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.350 6.379 -5.797 1.00 1.00 H new ATOM 0 HG13 ILE A 119 52.030 7.155 -4.380 1.00 1.00 H new ATOM 0 HG21 ILE A 119 53.181 4.657 -6.970 1.00 1.06 H new ATOM 0 HG22 ILE A 119 53.297 3.347 -5.771 1.00 1.06 H new ATOM 0 HG23 ILE A 119 51.718 4.081 -6.136 1.00 1.06 H new ATOM 0 HD11 ILE A 119 52.667 8.378 -6.440 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.107 7.689 -5.653 1.00 1.08 H new ATOM 0 HD13 ILE A 119 53.416 6.901 -7.091 1.00 1.08 H new ATOM 550 N MET A 120 54.013 2.969 -3.149 1.00 0.82 N ATOM 551 CA MET A 120 54.385 1.536 -2.964 1.00 0.92 C ATOM 552 C MET A 120 53.452 0.881 -1.942 1.00 0.92 C ATOM 553 O MET A 120 52.813 -0.115 -2.218 1.00 1.01 O ATOM 554 CB MET A 120 55.823 1.565 -2.442 1.00 0.96 C ATOM 555 CG MET A 120 56.174 0.210 -1.824 1.00 1.50 C ATOM 556 SD MET A 120 57.952 -0.089 -1.994 1.00 2.13 S ATOM 557 CE MET A 120 58.183 -0.977 -0.434 1.00 2.73 C ATOM 0 H MET A 120 54.780 3.634 -3.047 1.00 0.82 H new ATOM 0 HA MET A 120 54.300 0.961 -3.886 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.511 1.794 -3.256 1.00 0.96 H new ATOM 0 HB3 MET A 120 55.935 2.355 -1.699 1.00 0.96 H new ATOM 0 HG2 MET A 120 55.891 0.194 -0.772 1.00 1.50 H new ATOM 0 HG3 MET A 120 55.612 -0.583 -2.317 1.00 1.50 H new ATOM 0 HE1 MET A 120 59.247 -1.044 -0.208 1.00 2.73 H new ATOM 0 HE2 MET A 120 57.675 -0.442 0.368 1.00 2.73 H new ATOM 0 HE3 MET A 120 57.766 -1.980 -0.521 1.00 2.73 H new ATOM 567 N LEU A 121 53.365 1.437 -0.766 1.00 0.88 N ATOM 568 CA LEU A 121 52.469 0.853 0.274 1.00 0.96 C ATOM 569 C LEU A 121 51.020 0.883 -0.208 1.00 0.99 C ATOM 570 O LEU A 121 50.241 -0.003 0.081 1.00 1.12 O ATOM 571 CB LEU A 121 52.632 1.760 1.487 1.00 0.98 C ATOM 572 CG LEU A 121 54.109 1.836 1.878 1.00 1.19 C ATOM 573 CD1 LEU A 121 54.240 2.516 3.242 1.00 1.51 C ATOM 574 CD2 LEU A 121 54.687 0.421 1.957 1.00 1.81 C ATOM 0 H LEU A 121 53.876 2.272 -0.479 1.00 0.88 H new ATOM 0 HA LEU A 121 52.718 -0.185 0.497 1.00 0.96 H new ATOM 0 HB2 LEU A 121 52.254 2.757 1.261 1.00 0.98 H new ATOM 0 HB3 LEU A 121 52.044 1.377 2.321 1.00 0.98 H new ATOM 0 HG LEU A 121 54.655 2.412 1.131 1.00 1.19 H new ATOM 0 HD11 LEU A 121 55.292 2.571 3.522 1.00 1.51 H new ATOM 0 HD12 LEU A 121 53.826 3.523 3.188 1.00 1.51 H new ATOM 0 HD13 LEU A 121 53.695 1.940 3.990 1.00 1.51 H new ATOM 0 HD21 LEU A 121 55.740 0.473 2.235 1.00 1.81 H new ATOM 0 HD22 LEU A 121 54.141 -0.154 2.706 1.00 1.81 H new ATOM 0 HD23 LEU A 121 54.592 -0.065 0.986 1.00 1.81 H new ATOM 586 N GLN A 122 50.649 1.897 -0.942 1.00 0.95 N ATOM 587 CA GLN A 122 49.251 1.972 -1.443 1.00 1.05 C ATOM 588 C GLN A 122 48.981 0.779 -2.355 1.00 1.12 C ATOM 589 O GLN A 122 47.877 0.279 -2.436 1.00 1.24 O ATOM 590 CB GLN A 122 49.170 3.282 -2.223 1.00 1.07 C ATOM 591 CG GLN A 122 48.203 4.227 -1.514 1.00 1.49 C ATOM 592 CD GLN A 122 48.559 5.674 -1.856 1.00 1.51 C ATOM 593 OE1 GLN A 122 48.222 6.584 -1.123 1.00 2.24 O ATOM 594 NE2 GLN A 122 49.230 5.929 -2.945 1.00 1.52 N ATOM 0 H GLN A 122 51.252 2.673 -1.214 1.00 0.95 H new ATOM 0 HA GLN A 122 48.513 1.945 -0.641 1.00 1.05 H new ATOM 0 HB2 GLN A 122 50.157 3.739 -2.295 1.00 1.07 H new ATOM 0 HB3 GLN A 122 48.832 3.093 -3.242 1.00 1.07 H new ATOM 0 HG2 GLN A 122 47.179 4.012 -1.819 1.00 1.49 H new ATOM 0 HG3 GLN A 122 48.254 4.074 -0.436 1.00 1.49 H new ATOM 0 HE21 GLN A 122 49.513 5.166 -3.560 1.00 1.52 H new ATOM 0 HE22 GLN A 122 49.472 6.891 -3.181 1.00 1.52 H new ATOM 603 N ALA A 123 49.994 0.308 -3.026 1.00 1.11 N ATOM 604 CA ALA A 123 49.809 -0.869 -3.917 1.00 1.26 C ATOM 605 C ALA A 123 49.640 -2.117 -3.055 1.00 1.39 C ATOM 606 O ALA A 123 49.070 -3.106 -3.473 1.00 1.55 O ATOM 607 CB ALA A 123 51.091 -0.949 -4.746 1.00 1.31 C ATOM 0 H ALA A 123 50.941 0.687 -2.996 1.00 1.11 H new ATOM 0 HA ALA A 123 48.931 -0.788 -4.557 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.030 -1.796 -5.430 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.213 -0.029 -5.318 1.00 1.31 H new ATOM 0 HB3 ALA A 123 51.946 -1.079 -4.082 1.00 1.31 H new ATOM 613 N THR A 124 50.129 -2.070 -1.844 1.00 1.38 N ATOM 614 CA THR A 124 49.994 -3.243 -0.937 1.00 1.59 C ATOM 615 C THR A 124 48.812 -3.031 0.013 1.00 1.77 C ATOM 616 O THR A 124 48.411 -3.927 0.729 1.00 2.03 O ATOM 617 CB THR A 124 51.309 -3.297 -0.157 1.00 1.65 C ATOM 618 OG1 THR A 124 51.380 -2.185 0.723 1.00 2.26 O ATOM 619 CG2 THR A 124 52.487 -3.255 -1.133 1.00 1.97 C ATOM 0 H THR A 124 50.617 -1.268 -1.445 1.00 1.38 H new ATOM 0 HA THR A 124 49.808 -4.170 -1.479 1.00 1.59 H new ATOM 0 HB THR A 124 51.352 -4.221 0.420 1.00 1.65 H new ATOM 0 HG1 THR A 124 50.769 -1.484 0.414 1.00 2.26 H new ATOM 0 HG21 THR A 124 53.423 -3.294 -0.576 1.00 1.97 H new ATOM 0 HG22 THR A 124 52.431 -4.109 -1.808 1.00 1.97 H new ATOM 0 HG23 THR A 124 52.447 -2.332 -1.712 1.00 1.97 H new ATOM 627 N GLY A 125 48.251 -1.850 0.025 1.00 1.74 N ATOM 628 CA GLY A 125 47.096 -1.583 0.929 1.00 2.07 C ATOM 629 C GLY A 125 46.993 -0.080 1.195 1.00 1.64 C ATOM 630 O GLY A 125 47.944 0.657 1.023 1.00 2.16 O ATOM 0 H GLY A 125 48.543 -1.061 -0.551 1.00 1.74 H new ATOM 0 HA2 GLY A 125 46.174 -1.947 0.476 1.00 2.07 H new ATOM 0 HA3 GLY A 125 47.223 -2.121 1.868 1.00 2.07 H new ATOM 634 N GLU A 126 45.847 0.380 1.616 1.00 1.68 N ATOM 635 CA GLU A 126 45.685 1.836 1.893 1.00 1.94 C ATOM 636 C GLU A 126 45.113 2.044 3.297 1.00 1.76 C ATOM 637 O GLU A 126 44.124 2.726 3.481 1.00 2.42 O ATOM 638 CB GLU A 126 44.702 2.335 0.833 1.00 2.83 C ATOM 639 CG GLU A 126 45.447 3.199 -0.186 1.00 3.43 C ATOM 640 CD GLU A 126 44.446 3.801 -1.173 1.00 4.44 C ATOM 641 OE1 GLU A 126 43.336 3.299 -1.242 1.00 4.97 O ATOM 642 OE2 GLU A 126 44.805 4.754 -1.844 1.00 5.02 O ATOM 0 H GLU A 126 45.016 -0.189 1.780 1.00 1.68 H new ATOM 0 HA GLU A 126 46.633 2.373 1.853 1.00 1.94 H new ATOM 0 HB2 GLU A 126 44.230 1.490 0.333 1.00 2.83 H new ATOM 0 HB3 GLU A 126 43.906 2.913 1.303 1.00 2.83 H new ATOM 0 HG2 GLU A 126 45.993 3.993 0.324 1.00 3.43 H new ATOM 0 HG3 GLU A 126 46.183 2.598 -0.719 1.00 3.43 H new ATOM 649 N THR A 127 45.727 1.460 4.290 1.00 1.67 N ATOM 650 CA THR A 127 45.219 1.623 5.682 1.00 1.97 C ATOM 651 C THR A 127 46.125 2.574 6.468 1.00 1.60 C ATOM 652 O THR A 127 45.980 2.737 7.664 1.00 1.70 O ATOM 653 CB THR A 127 45.260 0.217 6.285 1.00 2.78 C ATOM 654 OG1 THR A 127 44.679 -0.704 5.373 1.00 3.37 O ATOM 655 CG2 THR A 127 44.478 0.200 7.599 1.00 3.72 C ATOM 0 H THR A 127 46.559 0.877 4.197 1.00 1.67 H new ATOM 0 HA THR A 127 44.216 2.048 5.709 1.00 1.97 H new ATOM 0 HB THR A 127 46.295 -0.066 6.478 1.00 2.78 H new ATOM 0 HG1 THR A 127 44.706 -1.605 5.757 1.00 3.37 H new ATOM 0 HG21 THR A 127 44.508 -0.802 8.027 1.00 3.72 H new ATOM 0 HG22 THR A 127 44.925 0.907 8.298 1.00 3.72 H new ATOM 0 HG23 THR A 127 43.442 0.483 7.410 1.00 3.72 H new ATOM 663 N ILE A 128 47.056 3.204 5.807 1.00 1.39 N ATOM 664 CA ILE A 128 47.969 4.146 6.518 1.00 1.35 C ATOM 665 C ILE A 128 47.884 5.539 5.890 1.00 1.27 C ATOM 666 O ILE A 128 47.183 5.752 4.921 1.00 1.39 O ATOM 667 CB ILE A 128 49.368 3.559 6.331 1.00 1.59 C ATOM 668 CG1 ILE A 128 49.612 3.289 4.844 1.00 2.00 C ATOM 669 CG2 ILE A 128 49.482 2.248 7.111 1.00 2.58 C ATOM 670 CD1 ILE A 128 50.945 3.911 4.425 1.00 2.44 C ATOM 0 H ILE A 128 47.225 3.108 4.806 1.00 1.39 H new ATOM 0 HA ILE A 128 47.710 4.256 7.571 1.00 1.35 H new ATOM 0 HB ILE A 128 50.110 4.267 6.700 1.00 1.59 H new ATOM 0 HG12 ILE A 128 49.624 2.215 4.656 1.00 2.00 H new ATOM 0 HG13 ILE A 128 48.800 3.708 4.249 1.00 2.00 H new ATOM 0 HG21 ILE A 128 50.480 1.830 6.977 1.00 2.58 H new ATOM 0 HG22 ILE A 128 49.308 2.438 8.170 1.00 2.58 H new ATOM 0 HG23 ILE A 128 48.740 1.540 6.743 1.00 2.58 H new ATOM 0 HD11 ILE A 128 51.119 3.719 3.366 1.00 2.44 H new ATOM 0 HD12 ILE A 128 50.915 4.987 4.599 1.00 2.44 H new ATOM 0 HD13 ILE A 128 51.752 3.471 5.011 1.00 2.44 H new ATOM 682 N THR A 129 48.594 6.489 6.434 1.00 1.18 N ATOM 683 CA THR A 129 48.554 7.868 5.867 1.00 1.21 C ATOM 684 C THR A 129 49.955 8.484 5.877 1.00 1.10 C ATOM 685 O THR A 129 50.944 7.798 6.045 1.00 1.04 O ATOM 686 CB THR A 129 47.618 8.649 6.791 1.00 1.37 C ATOM 687 OG1 THR A 129 47.793 8.201 8.128 1.00 1.63 O ATOM 688 CG2 THR A 129 46.168 8.424 6.361 1.00 1.63 C ATOM 0 H THR A 129 49.200 6.371 7.246 1.00 1.18 H new ATOM 0 HA THR A 129 48.209 7.880 4.833 1.00 1.21 H new ATOM 0 HB THR A 129 47.851 9.712 6.730 1.00 1.37 H new ATOM 0 HG1 THR A 129 47.195 8.702 8.722 1.00 1.63 H new ATOM 0 HG21 THR A 129 45.502 8.981 7.020 1.00 1.63 H new ATOM 0 HG22 THR A 129 46.035 8.769 5.336 1.00 1.63 H new ATOM 0 HG23 THR A 129 45.932 7.362 6.420 1.00 1.63 H new ATOM 696 N GLU A 130 50.047 9.773 5.699 1.00 1.13 N ATOM 697 CA GLU A 130 51.385 10.432 5.699 1.00 1.09 C ATOM 698 C GLU A 130 52.037 10.302 7.079 1.00 1.03 C ATOM 699 O GLU A 130 53.212 10.560 7.247 1.00 0.98 O ATOM 700 CB GLU A 130 51.104 11.898 5.373 1.00 1.23 C ATOM 701 CG GLU A 130 50.277 11.988 4.088 1.00 1.68 C ATOM 702 CD GLU A 130 48.998 12.781 4.357 1.00 2.20 C ATOM 703 OE1 GLU A 130 49.091 13.991 4.487 1.00 2.66 O ATOM 704 OE2 GLU A 130 47.947 12.167 4.430 1.00 2.77 O ATOM 0 H GLU A 130 49.255 10.399 5.554 1.00 1.13 H new ATOM 0 HA GLU A 130 52.069 9.980 4.981 1.00 1.09 H new ATOM 0 HB2 GLU A 130 50.567 12.368 6.197 1.00 1.23 H new ATOM 0 HB3 GLU A 130 52.042 12.441 5.253 1.00 1.23 H new ATOM 0 HG2 GLU A 130 50.858 12.471 3.302 1.00 1.68 H new ATOM 0 HG3 GLU A 130 50.029 10.988 3.732 1.00 1.68 H new ATOM 711 N ASP A 131 51.281 9.906 8.067 1.00 1.08 N ATOM 712 CA ASP A 131 51.857 9.761 9.434 1.00 1.10 C ATOM 713 C ASP A 131 52.486 8.375 9.600 1.00 0.95 C ATOM 714 O ASP A 131 53.460 8.204 10.307 1.00 0.88 O ATOM 715 CB ASP A 131 50.670 9.929 10.383 1.00 1.27 C ATOM 716 CG ASP A 131 50.455 11.415 10.673 1.00 1.65 C ATOM 717 OD1 ASP A 131 51.387 12.178 10.480 1.00 2.09 O ATOM 718 OD2 ASP A 131 49.360 11.766 11.082 1.00 2.28 O ATOM 0 H ASP A 131 50.290 9.677 7.987 1.00 1.08 H new ATOM 0 HA ASP A 131 52.643 10.490 9.631 1.00 1.10 H new ATOM 0 HB2 ASP A 131 49.772 9.501 9.938 1.00 1.27 H new ATOM 0 HB3 ASP A 131 50.854 9.389 11.312 1.00 1.27 H new ATOM 723 N ASP A 132 51.938 7.383 8.952 1.00 0.96 N ATOM 724 CA ASP A 132 52.505 6.010 9.075 1.00 0.88 C ATOM 725 C ASP A 132 53.605 5.797 8.029 1.00 0.76 C ATOM 726 O ASP A 132 54.482 4.974 8.196 1.00 0.72 O ATOM 727 CB ASP A 132 51.327 5.070 8.814 1.00 0.99 C ATOM 728 CG ASP A 132 50.654 4.714 10.142 1.00 1.31 C ATOM 729 OD1 ASP A 132 50.389 5.623 10.911 1.00 1.70 O ATOM 730 OD2 ASP A 132 50.415 3.540 10.365 1.00 1.95 O ATOM 0 H ASP A 132 51.123 7.464 8.344 1.00 0.96 H new ATOM 0 HA ASP A 132 52.957 5.835 10.051 1.00 0.88 H new ATOM 0 HB2 ASP A 132 50.609 5.546 8.146 1.00 0.99 H new ATOM 0 HB3 ASP A 132 51.674 4.165 8.316 1.00 0.99 H new ATOM 735 N ILE A 133 53.565 6.536 6.955 1.00 0.78 N ATOM 736 CA ILE A 133 54.610 6.376 5.903 1.00 0.73 C ATOM 737 C ILE A 133 55.851 7.196 6.265 1.00 0.66 C ATOM 738 O ILE A 133 56.967 6.721 6.185 1.00 0.63 O ATOM 739 CB ILE A 133 53.971 6.912 4.621 1.00 0.84 C ATOM 740 CG1 ILE A 133 52.776 6.035 4.240 1.00 0.91 C ATOM 741 CG2 ILE A 133 55.000 6.886 3.491 1.00 1.14 C ATOM 742 CD1 ILE A 133 52.090 6.616 3.003 1.00 0.96 C ATOM 0 H ILE A 133 52.856 7.243 6.760 1.00 0.78 H new ATOM 0 HA ILE A 133 54.931 5.340 5.795 1.00 0.73 H new ATOM 0 HB ILE A 133 53.633 7.935 4.784 1.00 0.84 H new ATOM 0 HG12 ILE A 133 53.108 5.016 4.040 1.00 0.91 H new ATOM 0 HG13 ILE A 133 52.071 5.983 5.069 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.546 7.268 2.577 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.852 7.510 3.761 1.00 1.14 H new ATOM 0 HG23 ILE A 133 55.337 5.862 3.329 1.00 1.14 H new ATOM 0 HD11 ILE A 133 51.239 5.991 2.732 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.744 7.627 3.220 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.798 6.645 2.174 1.00 0.96 H new ATOM 754 N GLU A 134 55.664 8.425 6.664 1.00 0.73 N ATOM 755 CA GLU A 134 56.832 9.275 7.033 1.00 0.77 C ATOM 756 C GLU A 134 57.561 8.677 8.238 1.00 0.70 C ATOM 757 O GLU A 134 58.766 8.777 8.360 1.00 0.68 O ATOM 758 CB GLU A 134 56.232 10.636 7.392 1.00 0.96 C ATOM 759 CG GLU A 134 55.536 11.230 6.165 1.00 0.95 C ATOM 760 CD GLU A 134 54.906 12.573 6.537 1.00 1.60 C ATOM 761 OE1 GLU A 134 54.414 12.687 7.647 1.00 2.07 O ATOM 762 OE2 GLU A 134 54.927 13.466 5.705 1.00 2.27 O ATOM 0 H GLU A 134 54.754 8.877 6.750 1.00 0.73 H new ATOM 0 HA GLU A 134 57.561 9.349 6.226 1.00 0.77 H new ATOM 0 HB2 GLU A 134 55.519 10.526 8.209 1.00 0.96 H new ATOM 0 HB3 GLU A 134 57.015 11.310 7.740 1.00 0.96 H new ATOM 0 HG2 GLU A 134 56.254 11.365 5.356 1.00 0.95 H new ATOM 0 HG3 GLU A 134 54.770 10.545 5.801 1.00 0.95 H new ATOM 769 N GLU A 135 56.840 8.056 9.132 1.00 0.74 N ATOM 770 CA GLU A 135 57.490 7.453 10.331 1.00 0.76 C ATOM 771 C GLU A 135 58.395 6.289 9.918 1.00 0.66 C ATOM 772 O GLU A 135 59.478 6.116 10.442 1.00 0.74 O ATOM 773 CB GLU A 135 56.333 6.949 11.194 1.00 0.88 C ATOM 774 CG GLU A 135 56.851 6.598 12.591 1.00 1.20 C ATOM 775 CD GLU A 135 55.807 6.991 13.638 1.00 1.48 C ATOM 776 OE1 GLU A 135 54.845 7.645 13.270 1.00 1.95 O ATOM 777 OE2 GLU A 135 55.987 6.631 14.790 1.00 2.16 O ATOM 0 H GLU A 135 55.828 7.940 9.084 1.00 0.74 H new ATOM 0 HA GLU A 135 58.118 8.168 10.862 1.00 0.76 H new ATOM 0 HB2 GLU A 135 55.558 7.712 11.263 1.00 0.88 H new ATOM 0 HB3 GLU A 135 55.877 6.073 10.733 1.00 0.88 H new ATOM 0 HG2 GLU A 135 57.061 5.530 12.655 1.00 1.20 H new ATOM 0 HG3 GLU A 135 57.789 7.119 12.784 1.00 1.20 H new ATOM 784 N LEU A 136 57.960 5.489 8.984 1.00 0.62 N ATOM 785 CA LEU A 136 58.794 4.334 8.542 1.00 0.66 C ATOM 786 C LEU A 136 60.051 4.828 7.820 1.00 0.61 C ATOM 787 O LEU A 136 61.155 4.428 8.134 1.00 0.70 O ATOM 788 CB LEU A 136 57.901 3.544 7.584 1.00 0.77 C ATOM 789 CG LEU A 136 57.687 2.133 8.136 1.00 0.86 C ATOM 790 CD1 LEU A 136 56.769 1.350 7.195 1.00 1.63 C ATOM 791 CD2 LEU A 136 59.036 1.419 8.244 1.00 1.38 C ATOM 0 H LEU A 136 57.063 5.584 8.507 1.00 0.62 H new ATOM 0 HA LEU A 136 59.131 3.726 9.381 1.00 0.66 H new ATOM 0 HB2 LEU A 136 56.942 4.049 7.463 1.00 0.77 H new ATOM 0 HB3 LEU A 136 58.362 3.494 6.597 1.00 0.77 H new ATOM 0 HG LEU A 136 57.228 2.194 9.123 1.00 0.86 H new ATOM 0 HD11 LEU A 136 56.617 0.345 7.588 1.00 1.63 H new ATOM 0 HD12 LEU A 136 55.808 1.859 7.117 1.00 1.63 H new ATOM 0 HD13 LEU A 136 57.227 1.288 6.208 1.00 1.63 H new ATOM 0 HD21 LEU A 136 58.885 0.414 8.637 1.00 1.38 H new ATOM 0 HD22 LEU A 136 59.495 1.358 7.257 1.00 1.38 H new ATOM 0 HD23 LEU A 136 59.690 1.976 8.915 1.00 1.38 H new ATOM 803 N MET A 137 59.894 5.693 6.856 1.00 0.55 N ATOM 804 CA MET A 137 61.082 6.208 6.115 1.00 0.59 C ATOM 805 C MET A 137 62.101 6.800 7.093 1.00 0.65 C ATOM 806 O MET A 137 63.295 6.683 6.905 1.00 0.81 O ATOM 807 CB MET A 137 60.533 7.293 5.190 1.00 0.60 C ATOM 808 CG MET A 137 60.352 6.719 3.784 1.00 0.96 C ATOM 809 SD MET A 137 61.728 7.250 2.734 1.00 1.23 S ATOM 810 CE MET A 137 61.051 6.661 1.163 1.00 1.35 C ATOM 0 H MET A 137 58.996 6.066 6.549 1.00 0.55 H new ATOM 0 HA MET A 137 61.595 5.422 5.561 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.580 7.662 5.570 1.00 0.60 H new ATOM 0 HB3 MET A 137 61.215 8.142 5.163 1.00 0.60 H new ATOM 0 HG2 MET A 137 60.312 5.631 3.826 1.00 0.96 H new ATOM 0 HG3 MET A 137 59.406 7.057 3.361 1.00 0.96 H new ATOM 0 HE1 MET A 137 61.811 6.742 0.386 1.00 1.35 H new ATOM 0 HE2 MET A 137 60.746 5.620 1.266 1.00 1.35 H new ATOM 0 HE3 MET A 137 60.187 7.267 0.889 1.00 1.35 H new ATOM 820 N LYS A 138 61.637 7.436 8.134 1.00 0.62 N ATOM 821 CA LYS A 138 62.580 8.036 9.121 1.00 0.79 C ATOM 822 C LYS A 138 63.618 7.001 9.564 1.00 0.86 C ATOM 823 O LYS A 138 64.793 7.294 9.670 1.00 1.16 O ATOM 824 CB LYS A 138 61.702 8.454 10.301 1.00 0.87 C ATOM 825 CG LYS A 138 62.219 9.771 10.882 1.00 1.55 C ATOM 826 CD LYS A 138 61.809 10.929 9.970 1.00 2.07 C ATOM 827 CE LYS A 138 62.997 11.877 9.784 1.00 2.85 C ATOM 828 NZ LYS A 138 62.647 13.090 10.575 1.00 3.36 N ATOM 0 H LYS A 138 60.647 7.566 8.344 1.00 0.62 H new ATOM 0 HA LYS A 138 63.133 8.878 8.704 1.00 0.79 H new ATOM 0 HB2 LYS A 138 60.668 8.569 9.976 1.00 0.87 H new ATOM 0 HB3 LYS A 138 61.711 7.678 11.067 1.00 0.87 H new ATOM 0 HG2 LYS A 138 61.815 9.922 11.883 1.00 1.55 H new ATOM 0 HG3 LYS A 138 63.304 9.737 10.978 1.00 1.55 H new ATOM 0 HD2 LYS A 138 61.481 10.546 9.004 1.00 2.07 H new ATOM 0 HD3 LYS A 138 60.966 11.466 10.403 1.00 2.07 H new ATOM 0 HE2 LYS A 138 63.922 11.426 10.142 1.00 2.85 H new ATOM 0 HE3 LYS A 138 63.147 12.121 8.732 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 63.414 13.788 10.497 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 61.765 13.502 10.207 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 62.517 12.828 11.573 1.00 3.36 H new ATOM 842 N ASP A 139 63.195 5.795 9.826 1.00 0.71 N ATOM 843 CA ASP A 139 64.161 4.746 10.265 1.00 0.85 C ATOM 844 C ASP A 139 64.754 4.025 9.051 1.00 0.85 C ATOM 845 O ASP A 139 65.759 3.350 9.148 1.00 1.02 O ATOM 846 CB ASP A 139 63.335 3.776 11.110 1.00 0.97 C ATOM 847 CG ASP A 139 62.813 4.497 12.354 1.00 1.50 C ATOM 848 OD1 ASP A 139 62.397 5.636 12.223 1.00 1.80 O ATOM 849 OD2 ASP A 139 62.837 3.898 13.417 1.00 2.33 O ATOM 0 H ASP A 139 62.224 5.490 9.756 1.00 0.71 H new ATOM 0 HA ASP A 139 64.998 5.166 10.823 1.00 0.85 H new ATOM 0 HB2 ASP A 139 62.501 3.388 10.525 1.00 0.97 H new ATOM 0 HB3 ASP A 139 63.945 2.921 11.402 1.00 0.97 H new ATOM 854 N GLY A 140 64.139 4.162 7.909 1.00 0.81 N ATOM 855 CA GLY A 140 64.669 3.482 6.692 1.00 0.86 C ATOM 856 C GLY A 140 65.887 4.243 6.166 1.00 0.77 C ATOM 857 O GLY A 140 66.743 3.685 5.509 1.00 0.86 O ATOM 0 H GLY A 140 63.294 4.714 7.765 1.00 0.81 H new ATOM 0 HA2 GLY A 140 64.945 2.454 6.929 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.897 3.436 5.924 1.00 0.86 H new ATOM 861 N ASP A 141 65.972 5.514 6.447 1.00 0.70 N ATOM 862 CA ASP A 141 67.137 6.310 5.960 1.00 0.66 C ATOM 863 C ASP A 141 68.337 6.116 6.890 1.00 0.74 C ATOM 864 O ASP A 141 68.430 6.731 7.935 1.00 0.87 O ATOM 865 CB ASP A 141 66.664 7.763 5.991 1.00 0.66 C ATOM 866 CG ASP A 141 67.052 8.454 4.682 1.00 0.76 C ATOM 867 OD1 ASP A 141 68.185 8.287 4.260 1.00 0.92 O ATOM 868 OD2 ASP A 141 66.210 9.137 4.124 1.00 0.83 O ATOM 0 H ASP A 141 65.286 6.037 6.992 1.00 0.70 H new ATOM 0 HA ASP A 141 67.457 6.006 4.963 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.583 7.802 6.129 1.00 0.66 H new ATOM 0 HB3 ASP A 141 67.112 8.285 6.837 1.00 0.66 H new ATOM 873 N LYS A 142 69.258 5.270 6.519 1.00 0.75 N ATOM 874 CA LYS A 142 70.451 5.042 7.382 1.00 0.87 C ATOM 875 C LYS A 142 71.214 6.352 7.584 1.00 0.89 C ATOM 876 O LYS A 142 71.987 6.496 8.510 1.00 1.05 O ATOM 877 CB LYS A 142 71.305 4.032 6.616 1.00 0.89 C ATOM 878 CG LYS A 142 72.129 3.209 7.607 1.00 1.24 C ATOM 879 CD LYS A 142 71.677 1.749 7.560 1.00 1.26 C ATOM 880 CE LYS A 142 72.105 1.040 8.848 1.00 1.55 C ATOM 881 NZ LYS A 142 73.516 0.628 8.609 1.00 1.99 N ATOM 0 H LYS A 142 69.236 4.727 5.656 1.00 0.75 H new ATOM 0 HA LYS A 142 70.182 4.677 8.373 1.00 0.87 H new ATOM 0 HB2 LYS A 142 70.668 3.376 6.023 1.00 0.89 H new ATOM 0 HB3 LYS A 142 71.964 4.550 5.920 1.00 0.89 H new ATOM 0 HG2 LYS A 142 73.189 3.280 7.362 1.00 1.24 H new ATOM 0 HG3 LYS A 142 72.007 3.606 8.615 1.00 1.24 H new ATOM 0 HD2 LYS A 142 70.594 1.696 7.446 1.00 1.26 H new ATOM 0 HD3 LYS A 142 72.114 1.250 6.695 1.00 1.26 H new ATOM 0 HE2 LYS A 142 72.028 1.704 9.709 1.00 1.55 H new ATOM 0 HE3 LYS A 142 71.471 0.177 9.053 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 73.881 0.135 9.449 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 73.557 -0.009 7.788 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 74.097 1.470 8.423 1.00 1.99 H new ATOM 895 N ASN A 143 71.003 7.313 6.725 1.00 0.85 N ATOM 896 CA ASN A 143 71.717 8.614 6.872 1.00 1.05 C ATOM 897 C ASN A 143 70.733 9.778 6.711 1.00 1.07 C ATOM 898 O ASN A 143 71.124 10.922 6.598 1.00 1.56 O ATOM 899 CB ASN A 143 72.756 8.629 5.750 1.00 1.08 C ATOM 900 CG ASN A 143 72.047 8.691 4.397 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.849 8.502 4.315 1.00 0.98 O ATOM 902 ND2 ASN A 143 72.741 8.949 3.323 1.00 1.48 N ATOM 0 H ASN A 143 70.368 7.253 5.929 1.00 0.85 H new ATOM 0 HA ASN A 143 72.179 8.722 7.853 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.418 9.487 5.865 1.00 1.08 H new ATOM 0 HB3 ASN A 143 73.379 7.736 5.805 1.00 1.08 H new ATOM 0 HD21 ASN A 143 72.278 8.992 2.415 1.00 1.48 H new ATOM 0 HD22 ASN A 143 73.746 9.108 3.391 1.00 1.48 H new ATOM 909 N ASN A 144 69.461 9.492 6.701 1.00 0.78 N ATOM 910 CA ASN A 144 68.452 10.579 6.550 1.00 0.82 C ATOM 911 C ASN A 144 68.889 11.564 5.460 1.00 0.82 C ATOM 912 O ASN A 144 69.485 12.586 5.737 1.00 0.92 O ATOM 913 CB ASN A 144 68.411 11.273 7.912 1.00 0.95 C ATOM 914 CG ASN A 144 68.202 10.229 9.012 1.00 1.47 C ATOM 915 OD1 ASN A 144 69.038 9.372 9.219 1.00 2.28 O ATOM 916 ND2 ASN A 144 67.114 10.268 9.732 1.00 1.93 N ATOM 0 H ASN A 144 69.076 8.552 6.791 1.00 0.78 H new ATOM 0 HA ASN A 144 67.475 10.195 6.257 1.00 0.82 H new ATOM 0 HB2 ASN A 144 69.340 11.816 8.083 1.00 0.95 H new ATOM 0 HB3 ASN A 144 67.605 12.006 7.934 1.00 0.95 H new ATOM 0 HD21 ASN A 144 66.965 9.579 10.469 1.00 1.93 H new ATOM 0 HD22 ASN A 144 66.413 10.988 9.558 1.00 1.93 H new ATOM 923 N ASP A 145 68.599 11.264 4.224 1.00 0.75 N ATOM 924 CA ASP A 145 69.000 12.184 3.121 1.00 0.78 C ATOM 925 C ASP A 145 67.790 12.526 2.243 1.00 0.74 C ATOM 926 O ASP A 145 67.858 13.382 1.384 1.00 0.81 O ATOM 927 CB ASP A 145 70.043 11.409 2.316 1.00 0.76 C ATOM 928 CG ASP A 145 69.352 10.299 1.521 1.00 1.12 C ATOM 929 OD1 ASP A 145 68.461 9.672 2.069 1.00 1.72 O ATOM 930 OD2 ASP A 145 69.726 10.096 0.377 1.00 1.85 O ATOM 0 H ASP A 145 68.102 10.423 3.930 1.00 0.75 H new ATOM 0 HA ASP A 145 69.394 13.128 3.498 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.569 12.082 1.639 1.00 0.76 H new ATOM 0 HB3 ASP A 145 70.790 10.981 2.985 1.00 0.76 H new ATOM 935 N GLY A 146 66.684 11.864 2.452 1.00 0.69 N ATOM 936 CA GLY A 146 65.476 12.155 1.629 1.00 0.70 C ATOM 937 C GLY A 146 65.015 10.878 0.926 1.00 0.58 C ATOM 938 O GLY A 146 63.926 10.390 1.157 1.00 0.62 O ATOM 0 H GLY A 146 66.565 11.136 3.156 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.677 12.543 2.261 1.00 0.70 H new ATOM 0 HA3 GLY A 146 65.702 12.926 0.893 1.00 0.70 H new ATOM 942 N ARG A 147 65.830 10.335 0.065 1.00 0.54 N ATOM 943 CA ARG A 147 65.431 9.091 -0.653 1.00 0.49 C ATOM 944 C ARG A 147 66.120 7.870 -0.038 1.00 0.44 C ATOM 945 O ARG A 147 66.972 7.990 0.819 1.00 0.56 O ATOM 946 CB ARG A 147 65.887 9.297 -2.098 1.00 0.57 C ATOM 947 CG ARG A 147 67.368 9.681 -2.121 1.00 0.78 C ATOM 948 CD ARG A 147 67.513 11.118 -2.625 1.00 0.73 C ATOM 949 NE ARG A 147 68.449 11.769 -1.667 1.00 1.07 N ATOM 950 CZ ARG A 147 69.173 12.785 -2.052 1.00 1.60 C ATOM 951 NH1 ARG A 147 68.613 13.790 -2.669 1.00 2.32 N ATOM 952 NH2 ARG A 147 70.457 12.794 -1.822 1.00 2.22 N ATOM 0 H ARG A 147 66.753 10.697 -0.173 1.00 0.54 H new ATOM 0 HA ARG A 147 64.358 8.910 -0.588 1.00 0.49 H new ATOM 0 HB2 ARG A 147 65.729 8.385 -2.673 1.00 0.57 H new ATOM 0 HB3 ARG A 147 65.291 10.078 -2.570 1.00 0.57 H new ATOM 0 HG2 ARG A 147 67.794 9.590 -1.122 1.00 0.78 H new ATOM 0 HG3 ARG A 147 67.922 9.000 -2.767 1.00 0.78 H new ATOM 0 HD2 ARG A 147 67.908 11.142 -3.641 1.00 0.73 H new ATOM 0 HD3 ARG A 147 66.550 11.628 -2.645 1.00 0.73 H new ATOM 0 HE ARG A 147 68.524 11.422 -0.711 1.00 1.07 H new ATOM 0 HH11 ARG A 147 67.609 13.782 -2.851 1.00 2.32 H new ATOM 0 HH12 ARG A 147 69.179 14.583 -2.970 1.00 2.32 H new ATOM 0 HH21 ARG A 147 70.895 12.008 -1.342 1.00 2.22 H new ATOM 0 HH22 ARG A 147 71.023 13.587 -2.122 1.00 2.22 H new ATOM 966 N ILE A 148 65.752 6.697 -0.471 1.00 0.35 N ATOM 967 CA ILE A 148 66.375 5.461 0.081 1.00 0.36 C ATOM 968 C ILE A 148 67.089 4.690 -1.037 1.00 0.40 C ATOM 969 O ILE A 148 66.555 4.500 -2.112 1.00 0.41 O ATOM 970 CB ILE A 148 65.196 4.662 0.661 1.00 0.35 C ATOM 971 CG1 ILE A 148 65.037 5.011 2.143 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.441 3.155 0.520 1.00 0.43 C ATOM 973 CD1 ILE A 148 63.809 4.298 2.711 1.00 0.40 C ATOM 0 H ILE A 148 65.043 6.540 -1.187 1.00 0.35 H new ATOM 0 HA ILE A 148 67.131 5.663 0.840 1.00 0.36 H new ATOM 0 HB ILE A 148 64.291 4.921 0.112 1.00 0.35 H new ATOM 0 HG12 ILE A 148 65.929 4.714 2.694 1.00 0.40 H new ATOM 0 HG13 ILE A 148 64.932 6.089 2.263 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.595 2.608 0.937 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.553 2.902 -0.534 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.349 2.882 1.057 1.00 0.43 H new ATOM 0 HD11 ILE A 148 63.699 4.548 3.766 1.00 0.40 H new ATOM 0 HD12 ILE A 148 62.920 4.616 2.167 1.00 0.40 H new ATOM 0 HD13 ILE A 148 63.933 3.220 2.605 1.00 0.40 H new ATOM 985 N ASP A 149 68.291 4.245 -0.788 1.00 0.47 N ATOM 986 CA ASP A 149 69.035 3.486 -1.833 1.00 0.55 C ATOM 987 C ASP A 149 68.987 1.986 -1.530 1.00 0.58 C ATOM 988 O ASP A 149 68.183 1.530 -0.741 1.00 0.54 O ATOM 989 CB ASP A 149 70.472 4.004 -1.753 1.00 0.65 C ATOM 990 CG ASP A 149 70.972 3.900 -0.312 1.00 1.32 C ATOM 991 OD1 ASP A 149 71.473 2.845 0.044 1.00 2.16 O ATOM 992 OD2 ASP A 149 70.847 4.874 0.410 1.00 2.00 O ATOM 0 H ASP A 149 68.789 4.374 0.093 1.00 0.47 H new ATOM 0 HA ASP A 149 68.608 3.624 -2.826 1.00 0.55 H new ATOM 0 HB2 ASP A 149 71.116 3.425 -2.415 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.516 5.039 -2.091 1.00 0.65 H new ATOM 997 N TYR A 150 69.837 1.217 -2.152 1.00 0.67 N ATOM 998 CA TYR A 150 69.835 -0.255 -1.902 1.00 0.73 C ATOM 999 C TYR A 150 70.208 -0.552 -0.447 1.00 0.75 C ATOM 1000 O TYR A 150 69.572 -1.346 0.218 1.00 0.76 O ATOM 1001 CB TYR A 150 70.893 -0.818 -2.851 1.00 0.84 C ATOM 1002 CG TYR A 150 70.688 -2.304 -3.011 1.00 0.97 C ATOM 1003 CD1 TYR A 150 69.407 -2.813 -3.257 1.00 1.63 C ATOM 1004 CD2 TYR A 150 71.779 -3.176 -2.913 1.00 1.74 C ATOM 1005 CE1 TYR A 150 69.217 -4.192 -3.406 1.00 2.06 C ATOM 1006 CE2 TYR A 150 71.589 -4.556 -3.062 1.00 2.14 C ATOM 1007 CZ TYR A 150 70.308 -5.064 -3.309 1.00 2.02 C ATOM 1008 OH TYR A 150 70.120 -6.422 -3.455 1.00 2.63 O ATOM 0 H TYR A 150 70.533 1.542 -2.823 1.00 0.67 H new ATOM 0 HA TYR A 150 68.854 -0.699 -2.072 1.00 0.73 H new ATOM 0 HB2 TYR A 150 70.826 -0.325 -3.821 1.00 0.84 H new ATOM 0 HB3 TYR A 150 71.891 -0.618 -2.460 1.00 0.84 H new ATOM 0 HD1 TYR A 150 68.565 -2.141 -3.332 1.00 1.63 H new ATOM 0 HD2 TYR A 150 72.767 -2.785 -2.722 1.00 1.74 H new ATOM 0 HE1 TYR A 150 68.228 -4.583 -3.596 1.00 2.06 H new ATOM 0 HE2 TYR A 150 72.431 -5.228 -2.986 1.00 2.14 H new ATOM 0 HH TYR A 150 70.979 -6.883 -3.360 1.00 2.63 H new ATOM 1018 N ASP A 151 71.239 0.075 0.051 1.00 0.78 N ATOM 1019 CA ASP A 151 71.656 -0.178 1.461 1.00 0.82 C ATOM 1020 C ASP A 151 70.565 0.278 2.435 1.00 0.74 C ATOM 1021 O ASP A 151 69.937 -0.525 3.095 1.00 0.76 O ATOM 1022 CB ASP A 151 72.927 0.653 1.652 1.00 0.87 C ATOM 1023 CG ASP A 151 74.150 -0.260 1.577 1.00 1.31 C ATOM 1024 OD1 ASP A 151 74.180 -1.240 2.304 1.00 2.08 O ATOM 1025 OD2 ASP A 151 75.039 0.033 0.793 1.00 1.67 O ATOM 0 H ASP A 151 71.810 0.751 -0.456 1.00 0.78 H new ATOM 0 HA ASP A 151 71.825 -1.237 1.654 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.988 1.424 0.884 1.00 0.87 H new ATOM 0 HB3 ASP A 151 72.899 1.163 2.615 1.00 0.87 H new ATOM 1030 N GLU A 152 70.340 1.559 2.534 1.00 0.67 N ATOM 1031 CA GLU A 152 69.293 2.061 3.471 1.00 0.61 C ATOM 1032 C GLU A 152 67.969 1.329 3.232 1.00 0.58 C ATOM 1033 O GLU A 152 67.122 1.259 4.101 1.00 0.58 O ATOM 1034 CB GLU A 152 69.153 3.549 3.150 1.00 0.59 C ATOM 1035 CG GLU A 152 70.527 4.219 3.230 1.00 0.76 C ATOM 1036 CD GLU A 152 70.350 5.728 3.403 1.00 0.75 C ATOM 1037 OE1 GLU A 152 69.376 6.124 4.021 1.00 1.39 O ATOM 1038 OE2 GLU A 152 71.193 6.463 2.914 1.00 1.20 O ATOM 0 H GLU A 152 70.834 2.280 2.008 1.00 0.67 H new ATOM 0 HA GLU A 152 69.560 1.894 4.515 1.00 0.61 H new ATOM 0 HB2 GLU A 152 68.730 3.679 2.154 1.00 0.59 H new ATOM 0 HB3 GLU A 152 68.465 4.020 3.852 1.00 0.59 H new ATOM 0 HG2 GLU A 152 71.094 3.811 4.066 1.00 0.76 H new ATOM 0 HG3 GLU A 152 71.098 4.011 2.325 1.00 0.76 H new ATOM 1045 N PHE A 153 67.784 0.780 2.062 1.00 0.60 N ATOM 1046 CA PHE A 153 66.514 0.052 1.775 1.00 0.61 C ATOM 1047 C PHE A 153 66.520 -1.310 2.474 1.00 0.66 C ATOM 1048 O PHE A 153 65.538 -1.723 3.056 1.00 0.71 O ATOM 1049 CB PHE A 153 66.494 -0.125 0.256 1.00 0.64 C ATOM 1050 CG PHE A 153 65.437 -1.138 -0.121 1.00 0.68 C ATOM 1051 CD1 PHE A 153 65.677 -2.503 0.073 1.00 1.18 C ATOM 1052 CD2 PHE A 153 64.220 -0.710 -0.665 1.00 1.47 C ATOM 1053 CE1 PHE A 153 64.699 -3.442 -0.277 1.00 1.24 C ATOM 1054 CE2 PHE A 153 63.242 -1.650 -1.015 1.00 1.55 C ATOM 1055 CZ PHE A 153 63.481 -3.015 -0.821 1.00 0.93 C ATOM 0 H PHE A 153 68.455 0.804 1.294 1.00 0.60 H new ATOM 0 HA PHE A 153 65.637 0.591 2.133 1.00 0.61 H new ATOM 0 HB2 PHE A 153 66.288 0.829 -0.229 1.00 0.64 H new ATOM 0 HB3 PHE A 153 67.471 -0.456 -0.095 1.00 0.64 H new ATOM 0 HD1 PHE A 153 66.616 -2.832 0.493 1.00 1.18 H new ATOM 0 HD2 PHE A 153 64.035 0.344 -0.815 1.00 1.47 H new ATOM 0 HE1 PHE A 153 64.884 -4.496 -0.127 1.00 1.24 H new ATOM 0 HE2 PHE A 153 62.303 -1.321 -1.435 1.00 1.55 H new ATOM 0 HZ PHE A 153 62.726 -3.739 -1.091 1.00 0.93 H new ATOM 1065 N LEU A 154 67.621 -2.009 2.423 1.00 0.72 N ATOM 1066 CA LEU A 154 67.689 -3.342 3.087 1.00 0.80 C ATOM 1067 C LEU A 154 67.141 -3.247 4.513 1.00 0.79 C ATOM 1068 O LEU A 154 66.476 -4.145 4.993 1.00 0.82 O ATOM 1069 CB LEU A 154 69.175 -3.700 3.106 1.00 0.92 C ATOM 1070 CG LEU A 154 69.436 -4.853 2.137 1.00 0.85 C ATOM 1071 CD1 LEU A 154 68.476 -6.005 2.445 1.00 1.74 C ATOM 1072 CD2 LEU A 154 69.210 -4.372 0.703 1.00 1.54 C ATOM 0 H LEU A 154 68.476 -1.715 1.951 1.00 0.72 H new ATOM 0 HA LEU A 154 67.096 -4.095 2.567 1.00 0.80 H new ATOM 0 HB2 LEU A 154 69.772 -2.833 2.825 1.00 0.92 H new ATOM 0 HB3 LEU A 154 69.479 -3.983 4.114 1.00 0.92 H new ATOM 0 HG LEU A 154 70.464 -5.197 2.249 1.00 0.85 H new ATOM 0 HD11 LEU A 154 68.661 -6.828 1.754 1.00 1.74 H new ATOM 0 HD12 LEU A 154 68.634 -6.347 3.468 1.00 1.74 H new ATOM 0 HD13 LEU A 154 67.448 -5.662 2.332 1.00 1.74 H new ATOM 0 HD21 LEU A 154 69.396 -5.193 0.010 1.00 1.54 H new ATOM 0 HD22 LEU A 154 68.181 -4.029 0.592 1.00 1.54 H new ATOM 0 HD23 LEU A 154 69.892 -3.550 0.483 1.00 1.54 H new ATOM 1084 N GLU A 155 67.412 -2.168 5.193 1.00 0.79 N ATOM 1085 CA GLU A 155 66.904 -2.018 6.587 1.00 0.82 C ATOM 1086 C GLU A 155 65.403 -1.712 6.569 1.00 0.81 C ATOM 1087 O GLU A 155 64.663 -2.137 7.433 1.00 0.90 O ATOM 1088 CB GLU A 155 67.685 -0.841 7.170 1.00 0.85 C ATOM 1089 CG GLU A 155 67.988 -1.110 8.646 1.00 0.95 C ATOM 1090 CD GLU A 155 66.979 -0.362 9.520 1.00 1.67 C ATOM 1091 OE1 GLU A 155 66.033 0.177 8.970 1.00 2.47 O ATOM 1092 OE2 GLU A 155 67.170 -0.342 10.725 1.00 2.27 O ATOM 0 H GLU A 155 67.963 -1.383 4.845 1.00 0.79 H new ATOM 0 HA GLU A 155 67.038 -2.925 7.177 1.00 0.82 H new ATOM 0 HB2 GLU A 155 68.614 -0.698 6.617 1.00 0.85 H new ATOM 0 HB3 GLU A 155 67.108 0.078 7.068 1.00 0.85 H new ATOM 0 HG2 GLU A 155 67.938 -2.180 8.849 1.00 0.95 H new ATOM 0 HG3 GLU A 155 69.001 -0.787 8.885 1.00 0.95 H new ATOM 1099 N PHE A 156 64.951 -0.976 5.590 1.00 0.75 N ATOM 1100 CA PHE A 156 63.500 -0.643 5.517 1.00 0.78 C ATOM 1101 C PHE A 156 62.667 -1.927 5.483 1.00 0.84 C ATOM 1102 O PHE A 156 61.942 -2.234 6.409 1.00 0.90 O ATOM 1103 CB PHE A 156 63.339 0.135 4.211 1.00 0.78 C ATOM 1104 CG PHE A 156 61.973 0.777 4.172 1.00 0.85 C ATOM 1105 CD1 PHE A 156 60.837 -0.010 3.945 1.00 1.66 C ATOM 1106 CD2 PHE A 156 61.842 2.158 4.361 1.00 1.27 C ATOM 1107 CE1 PHE A 156 59.570 0.586 3.907 1.00 1.77 C ATOM 1108 CE2 PHE A 156 60.575 2.752 4.324 1.00 1.31 C ATOM 1109 CZ PHE A 156 59.440 1.966 4.097 1.00 1.10 C ATOM 0 H PHE A 156 65.523 -0.591 4.838 1.00 0.75 H new ATOM 0 HA PHE A 156 63.163 -0.067 6.379 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.113 0.898 4.132 1.00 0.78 H new ATOM 0 HB3 PHE A 156 63.463 -0.534 3.359 1.00 0.78 H new ATOM 0 HD1 PHE A 156 60.938 -1.075 3.799 1.00 1.66 H new ATOM 0 HD2 PHE A 156 62.718 2.765 4.535 1.00 1.27 H new ATOM 0 HE1 PHE A 156 58.693 -0.020 3.731 1.00 1.77 H new ATOM 0 HE2 PHE A 156 60.474 3.817 4.471 1.00 1.31 H new ATOM 0 HZ PHE A 156 58.463 2.425 4.068 1.00 1.10 H new ATOM 1119 N MET A 157 62.765 -2.681 4.422 1.00 0.86 N ATOM 1120 CA MET A 157 61.980 -3.945 4.329 1.00 0.95 C ATOM 1121 C MET A 157 62.241 -4.819 5.560 1.00 0.99 C ATOM 1122 O MET A 157 61.429 -5.640 5.933 1.00 1.12 O ATOM 1123 CB MET A 157 62.488 -4.634 3.062 1.00 0.99 C ATOM 1124 CG MET A 157 61.738 -4.086 1.848 1.00 1.28 C ATOM 1125 SD MET A 157 60.062 -4.771 1.813 1.00 1.48 S ATOM 1126 CE MET A 157 59.266 -3.384 0.962 1.00 1.12 C ATOM 0 H MET A 157 63.355 -2.476 3.615 1.00 0.86 H new ATOM 0 HA MET A 157 60.906 -3.764 4.290 1.00 0.95 H new ATOM 0 HB2 MET A 157 63.559 -4.465 2.948 1.00 0.99 H new ATOM 0 HB3 MET A 157 62.341 -5.711 3.137 1.00 0.99 H new ATOM 0 HG2 MET A 157 61.697 -2.998 1.894 1.00 1.28 H new ATOM 0 HG3 MET A 157 62.268 -4.347 0.932 1.00 1.28 H new ATOM 0 HE1 MET A 157 58.186 -3.531 0.958 1.00 1.12 H new ATOM 0 HE2 MET A 157 59.504 -2.455 1.480 1.00 1.12 H new ATOM 0 HE3 MET A 157 59.628 -3.331 -0.065 1.00 1.12 H new ATOM 1136 N LYS A 158 63.370 -4.645 6.192 1.00 0.94 N ATOM 1137 CA LYS A 158 63.685 -5.462 7.398 1.00 1.02 C ATOM 1138 C LYS A 158 62.632 -5.227 8.486 1.00 1.05 C ATOM 1139 O LYS A 158 62.003 -6.150 8.965 1.00 1.20 O ATOM 1140 CB LYS A 158 65.056 -4.970 7.862 1.00 1.07 C ATOM 1141 CG LYS A 158 66.023 -6.152 7.946 1.00 1.26 C ATOM 1142 CD LYS A 158 67.204 -5.781 8.844 1.00 1.53 C ATOM 1143 CE LYS A 158 68.390 -6.698 8.535 1.00 1.45 C ATOM 1144 NZ LYS A 158 69.589 -5.819 8.619 1.00 2.07 N ATOM 0 H LYS A 158 64.088 -3.972 5.925 1.00 0.94 H new ATOM 0 HA LYS A 158 63.687 -6.531 7.185 1.00 1.02 H new ATOM 0 HB2 LYS A 158 65.439 -4.222 7.168 1.00 1.07 H new ATOM 0 HB3 LYS A 158 64.970 -4.487 8.835 1.00 1.07 H new ATOM 0 HG2 LYS A 158 65.510 -7.028 8.344 1.00 1.26 H new ATOM 0 HG3 LYS A 158 66.378 -6.416 6.950 1.00 1.26 H new ATOM 0 HD2 LYS A 158 67.484 -4.740 8.682 1.00 1.53 H new ATOM 0 HD3 LYS A 158 66.921 -5.876 9.892 1.00 1.53 H new ATOM 0 HE2 LYS A 158 68.451 -7.518 9.250 1.00 1.45 H new ATOM 0 HE3 LYS A 158 68.296 -7.144 7.545 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 70.443 -6.377 8.419 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 69.506 -5.051 7.922 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 69.656 -5.414 9.574 1.00 2.07 H new ATOM 1158 N GLY A 159 62.439 -3.998 8.881 1.00 1.04 N ATOM 1159 CA GLY A 159 61.430 -3.703 9.937 1.00 1.14 C ATOM 1160 C GLY A 159 60.066 -3.459 9.291 1.00 1.14 C ATOM 1161 O GLY A 159 59.209 -2.805 9.851 1.00 1.38 O ATOM 0 H GLY A 159 62.937 -3.185 8.518 1.00 1.04 H new ATOM 0 HA2 GLY A 159 61.368 -4.536 10.637 1.00 1.14 H new ATOM 0 HA3 GLY A 159 61.734 -2.827 10.510 1.00 1.14 H new ATOM 1165 N VAL A 160 59.856 -3.980 8.113 1.00 1.42 N ATOM 1166 CA VAL A 160 58.547 -3.778 7.429 1.00 1.48 C ATOM 1167 C VAL A 160 57.892 -5.130 7.137 1.00 1.88 C ATOM 1168 O VAL A 160 56.719 -5.210 6.829 1.00 2.37 O ATOM 1169 CB VAL A 160 58.889 -3.053 6.128 1.00 1.32 C ATOM 1170 CG1 VAL A 160 57.688 -3.104 5.182 1.00 1.35 C ATOM 1171 CG2 VAL A 160 59.232 -1.594 6.435 1.00 1.49 C ATOM 0 H VAL A 160 60.535 -4.537 7.594 1.00 1.42 H new ATOM 0 HA VAL A 160 57.844 -3.210 8.038 1.00 1.48 H new ATOM 0 HB VAL A 160 59.743 -3.538 5.656 1.00 1.32 H new ATOM 0 HG11 VAL A 160 57.933 -2.587 4.255 1.00 1.35 H new ATOM 0 HG12 VAL A 160 57.441 -4.143 4.964 1.00 1.35 H new ATOM 0 HG13 VAL A 160 56.833 -2.619 5.653 1.00 1.35 H new ATOM 0 HG21 VAL A 160 59.476 -1.075 5.508 1.00 1.49 H new ATOM 0 HG22 VAL A 160 58.377 -1.111 6.907 1.00 1.49 H new ATOM 0 HG23 VAL A 160 60.088 -1.555 7.109 1.00 1.49 H new ATOM 1181 N GLU A 161 58.642 -6.194 7.231 1.00 2.17 N ATOM 1182 CA GLU A 161 58.062 -7.542 6.960 1.00 2.67 C ATOM 1183 C GLU A 161 58.939 -8.631 7.585 1.00 3.21 C ATOM 1184 O GLU A 161 59.168 -8.567 8.781 1.00 3.74 O ATOM 1185 CB GLU A 161 58.052 -7.669 5.437 1.00 3.19 C ATOM 1186 CG GLU A 161 56.969 -8.664 5.016 1.00 3.64 C ATOM 1187 CD GLU A 161 55.619 -8.220 5.582 1.00 4.40 C ATOM 1188 OE1 GLU A 161 55.336 -7.034 5.522 1.00 5.03 O ATOM 1189 OE2 GLU A 161 54.893 -9.072 6.065 1.00 4.73 O ATOM 1190 OXT GLU A 161 59.367 -9.510 6.855 1.00 3.58 O ATOM 0 H GLU A 161 59.630 -6.189 7.483 1.00 2.17 H new ATOM 0 HA GLU A 161 57.065 -7.656 7.385 1.00 2.67 H new ATOM 0 HB2 GLU A 161 57.865 -6.697 4.981 1.00 3.19 H new ATOM 0 HB3 GLU A 161 59.027 -8.004 5.083 1.00 3.19 H new ATOM 0 HG2 GLU A 161 56.918 -8.723 3.929 1.00 3.64 H new ATOM 0 HG3 GLU A 161 57.217 -9.662 5.378 1.00 3.64 H new TER 1197 GLU A 161 HETATM 1198 CA CA A 1 63.078 7.507 -6.955 1.00 0.50 CA HETATM 1199 CA CA A 2 69.134 7.605 2.455 1.00 0.74 CA