USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 405 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 NoAdj-H: A 119 HIS HE2 : A 119 HIS NE2 : A 156 ZNZN :(H bumps) USER MOD Set 1.1: A 139 SER OG : rot -29:sc= 0.976 USER MOD Set 1.2: A 141 TYR OH : rot 65:sc= 0.522 USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -147:sc= 0.896 USER MOD Single : A 103 TYR OH : rot 31:sc= 1.27 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc=-0.00477 USER MOD Single : A 114 SER OG : rot -38:sc= 1.26 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 122 MET CE :methyl -157:sc= -2.06! (180deg=-3.44!) USER MOD Single : A 125 LYS NZ :NH3+ 174:sc= 0.606 (180deg=0.507) USER MOD Single : A 127 THR OG1 : rot 146:sc= 1.39 USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 ASN : amide:sc= -2.36 K(o=-2.4,f=-8.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 94 -5.834 -8.191 -0.420 1.00 0.54 N ATOM 2 CA MET A 94 -6.451 -8.341 0.905 1.00 0.61 C ATOM 3 C MET A 94 -6.146 -9.688 1.548 1.00 1.04 C ATOM 4 O MET A 94 -6.423 -10.750 0.994 1.00 2.74 O ATOM 5 CB MET A 94 -7.973 -8.225 0.879 1.00 0.64 C ATOM 6 CG MET A 94 -8.447 -7.385 -0.289 1.00 0.64 C ATOM 7 SD MET A 94 -10.131 -6.732 -0.221 1.00 0.89 S ATOM 8 CE MET A 94 -11.067 -8.281 -0.296 1.00 2.61 C ATOM 0 HA MET A 94 -6.015 -7.524 1.480 1.00 0.61 H new ATOM 0 HB2 MET A 94 -8.414 -9.220 0.815 1.00 0.64 H new ATOM 0 HB3 MET A 94 -8.321 -7.782 1.812 1.00 0.64 H new ATOM 0 HG2 MET A 94 -7.764 -6.542 -0.396 1.00 0.64 H new ATOM 0 HG3 MET A 94 -8.356 -7.986 -1.194 1.00 0.64 H new ATOM 0 HE1 MET A 94 -12.135 -8.063 -0.264 1.00 2.61 H new ATOM 0 HE2 MET A 94 -10.831 -8.804 -1.222 1.00 2.61 H new ATOM 0 HE3 MET A 94 -10.800 -8.909 0.554 1.00 2.61 H new ATOM 18 N LYS A 95 -5.591 -9.542 2.735 1.00 0.93 N ATOM 19 CA LYS A 95 -4.745 -10.409 3.542 1.00 0.82 C ATOM 20 C LYS A 95 -3.530 -9.596 3.985 1.00 0.78 C ATOM 21 O LYS A 95 -3.658 -8.468 4.449 1.00 1.45 O ATOM 22 CB LYS A 95 -4.416 -11.763 2.880 1.00 0.81 C ATOM 23 CG LYS A 95 -3.662 -11.705 1.532 1.00 0.75 C ATOM 24 CD LYS A 95 -2.463 -12.646 1.456 1.00 0.74 C ATOM 25 CE LYS A 95 -1.582 -12.358 0.236 1.00 0.85 C ATOM 26 NZ LYS A 95 -2.173 -12.867 -1.027 1.00 2.75 N ATOM 0 H LYS A 95 -5.750 -8.669 3.237 1.00 0.93 H new ATOM 0 HA LYS A 95 -5.292 -10.729 4.429 1.00 0.82 H new ATOM 0 HB2 LYS A 95 -3.820 -12.349 3.580 1.00 0.81 H new ATOM 0 HB3 LYS A 95 -5.350 -12.304 2.726 1.00 0.81 H new ATOM 0 HG2 LYS A 95 -4.356 -11.950 0.728 1.00 0.75 H new ATOM 0 HG3 LYS A 95 -3.322 -10.684 1.360 1.00 0.75 H new ATOM 0 HD2 LYS A 95 -1.868 -12.548 2.364 1.00 0.74 H new ATOM 0 HD3 LYS A 95 -2.814 -13.677 1.414 1.00 0.74 H new ATOM 0 HE2 LYS A 95 -1.424 -11.283 0.152 1.00 0.85 H new ATOM 0 HE3 LYS A 95 -0.603 -12.813 0.384 1.00 0.85 H new ATOM 0 HZ1 LYS A 95 -1.538 -12.647 -1.821 1.00 2.75 H new ATOM 0 HZ2 LYS A 95 -2.300 -13.897 -0.961 1.00 2.75 H new ATOM 0 HZ3 LYS A 95 -3.096 -12.414 -1.186 1.00 2.75 H new ATOM 40 N ASP A 96 -2.371 -10.193 3.806 1.00 0.85 N ATOM 41 CA ASP A 96 -1.052 -9.707 4.099 1.00 0.73 C ATOM 42 C ASP A 96 -0.214 -9.841 2.798 1.00 0.66 C ATOM 43 O ASP A 96 0.225 -10.934 2.427 1.00 0.80 O ATOM 44 CB ASP A 96 -0.617 -10.583 5.251 1.00 0.90 C ATOM 45 CG ASP A 96 0.771 -10.228 5.797 1.00 1.22 C ATOM 46 OD1 ASP A 96 1.498 -9.472 5.116 1.00 2.01 O ATOM 47 OD2 ASP A 96 1.049 -10.672 6.930 1.00 2.23 O ATOM 0 H ASP A 96 -2.334 -11.132 3.408 1.00 0.85 H new ATOM 0 HA ASP A 96 -0.957 -8.661 4.390 1.00 0.73 H new ATOM 0 HB2 ASP A 96 -1.348 -10.501 6.056 1.00 0.90 H new ATOM 0 HB3 ASP A 96 -0.616 -11.623 4.926 1.00 0.90 H new ATOM 52 N PRO A 97 -0.207 -8.767 1.991 1.00 0.56 N ATOM 53 CA PRO A 97 0.472 -8.649 0.698 1.00 0.55 C ATOM 54 C PRO A 97 1.847 -7.984 0.810 1.00 0.50 C ATOM 55 O PRO A 97 2.834 -8.429 0.232 1.00 0.71 O ATOM 56 CB PRO A 97 -0.453 -7.727 -0.111 1.00 0.54 C ATOM 57 CG PRO A 97 -1.152 -6.855 0.937 1.00 0.50 C ATOM 58 CD PRO A 97 -1.263 -7.783 2.118 1.00 0.55 C ATOM 0 HA PRO A 97 0.645 -9.631 0.257 1.00 0.55 H new ATOM 0 HB2 PRO A 97 0.113 -7.119 -0.817 1.00 0.54 H new ATOM 0 HB3 PRO A 97 -1.174 -8.302 -0.692 1.00 0.54 H new ATOM 0 HG2 PRO A 97 -0.571 -5.964 1.175 1.00 0.50 H new ATOM 0 HG3 PRO A 97 -2.130 -6.516 0.595 1.00 0.50 H new ATOM 0 HD2 PRO A 97 -1.163 -7.230 3.052 1.00 0.55 H new ATOM 0 HD3 PRO A 97 -2.240 -8.267 2.137 1.00 0.55 H new ATOM 66 N ILE A 98 1.838 -6.848 1.498 1.00 0.47 N ATOM 67 CA ILE A 98 2.854 -5.838 1.693 1.00 0.42 C ATOM 68 C ILE A 98 2.540 -5.264 3.057 1.00 0.38 C ATOM 69 O ILE A 98 1.379 -5.005 3.374 1.00 0.36 O ATOM 70 CB ILE A 98 2.775 -4.685 0.677 1.00 0.45 C ATOM 71 CG1 ILE A 98 2.376 -5.054 -0.784 1.00 0.51 C ATOM 72 CG2 ILE A 98 4.085 -3.883 0.814 1.00 0.47 C ATOM 73 CD1 ILE A 98 3.522 -5.165 -1.783 1.00 0.62 C ATOM 0 H ILE A 98 0.991 -6.585 2.001 1.00 0.47 H new ATOM 0 HA ILE A 98 3.844 -6.281 1.583 1.00 0.42 H new ATOM 0 HB ILE A 98 1.915 -4.064 0.928 1.00 0.45 H new ATOM 0 HG12 ILE A 98 1.844 -6.005 -0.765 1.00 0.51 H new ATOM 0 HG13 ILE A 98 1.674 -4.304 -1.148 1.00 0.51 H new ATOM 0 HG21 ILE A 98 4.077 -3.050 0.111 1.00 0.47 H new ATOM 0 HG22 ILE A 98 4.172 -3.499 1.830 1.00 0.47 H new ATOM 0 HG23 ILE A 98 4.933 -4.532 0.598 1.00 0.47 H new ATOM 0 HD11 ILE A 98 3.125 -5.426 -2.764 1.00 0.62 H new ATOM 0 HD12 ILE A 98 4.045 -4.210 -1.845 1.00 0.62 H new ATOM 0 HD13 ILE A 98 4.217 -5.938 -1.455 1.00 0.62 H new ATOM 85 N ILE A 99 3.584 -5.030 3.825 1.00 0.41 N ATOM 86 CA ILE A 99 3.510 -4.575 5.205 1.00 0.41 C ATOM 87 C ILE A 99 4.111 -3.193 5.355 1.00 0.41 C ATOM 88 O ILE A 99 5.191 -2.908 4.846 1.00 0.51 O ATOM 89 CB ILE A 99 4.192 -5.608 6.118 1.00 0.53 C ATOM 90 CG1 ILE A 99 3.327 -6.880 6.171 1.00 0.67 C ATOM 91 CG2 ILE A 99 4.490 -5.081 7.528 1.00 0.52 C ATOM 92 CD1 ILE A 99 2.050 -6.787 7.026 1.00 0.75 C ATOM 0 H ILE A 99 4.542 -5.155 3.498 1.00 0.41 H new ATOM 0 HA ILE A 99 2.465 -4.491 5.505 1.00 0.41 H new ATOM 0 HB ILE A 99 5.167 -5.835 5.686 1.00 0.53 H new ATOM 0 HG12 ILE A 99 3.041 -7.145 5.153 1.00 0.67 H new ATOM 0 HG13 ILE A 99 3.939 -7.697 6.553 1.00 0.67 H new ATOM 0 HG21 ILE A 99 4.971 -5.864 8.115 1.00 0.52 H new ATOM 0 HG22 ILE A 99 5.153 -4.218 7.461 1.00 0.52 H new ATOM 0 HG23 ILE A 99 3.558 -4.786 8.011 1.00 0.52 H new ATOM 0 HD11 ILE A 99 1.519 -7.738 6.991 1.00 0.75 H new ATOM 0 HD12 ILE A 99 2.319 -6.559 8.057 1.00 0.75 H new ATOM 0 HD13 ILE A 99 1.407 -5.998 6.635 1.00 0.75 H new ATOM 104 N ILE A 100 3.392 -2.349 6.088 1.00 0.36 N ATOM 105 CA ILE A 100 3.730 -0.966 6.391 1.00 0.39 C ATOM 106 C ILE A 100 3.787 -0.833 7.900 1.00 0.43 C ATOM 107 O ILE A 100 2.763 -0.961 8.573 1.00 0.48 O ATOM 108 CB ILE A 100 2.680 -0.026 5.772 1.00 0.39 C ATOM 109 CG1 ILE A 100 2.629 -0.218 4.237 1.00 0.40 C ATOM 110 CG2 ILE A 100 2.954 1.440 6.157 1.00 0.49 C ATOM 111 CD1 ILE A 100 3.962 0.021 3.507 1.00 0.50 C ATOM 0 H ILE A 100 2.507 -2.630 6.510 1.00 0.36 H new ATOM 0 HA ILE A 100 4.695 -0.689 5.967 1.00 0.39 H new ATOM 0 HB ILE A 100 1.700 -0.283 6.174 1.00 0.39 H new ATOM 0 HG12 ILE A 100 2.292 -1.233 4.024 1.00 0.40 H new ATOM 0 HG13 ILE A 100 1.880 0.459 3.826 1.00 0.40 H new ATOM 0 HG21 ILE A 100 2.197 2.082 5.706 1.00 0.49 H new ATOM 0 HG22 ILE A 100 2.919 1.544 7.241 1.00 0.49 H new ATOM 0 HG23 ILE A 100 3.940 1.733 5.796 1.00 0.49 H new ATOM 0 HD11 ILE A 100 3.825 -0.138 2.437 1.00 0.50 H new ATOM 0 HD12 ILE A 100 4.295 1.044 3.682 1.00 0.50 H new ATOM 0 HD13 ILE A 100 4.713 -0.674 3.883 1.00 0.50 H new ATOM 123 N GLU A 101 4.998 -0.590 8.392 1.00 0.56 N ATOM 124 CA GLU A 101 5.290 -0.560 9.821 1.00 0.61 C ATOM 125 C GLU A 101 4.947 0.788 10.442 1.00 0.71 C ATOM 126 O GLU A 101 5.162 1.839 9.841 1.00 0.90 O ATOM 127 CB GLU A 101 6.727 -1.031 10.115 1.00 0.75 C ATOM 128 CG GLU A 101 6.641 -2.196 11.095 1.00 0.88 C ATOM 129 CD GLU A 101 7.952 -2.932 11.297 1.00 1.47 C ATOM 130 OE1 GLU A 101 8.730 -2.472 12.164 1.00 2.25 O ATOM 131 OE2 GLU A 101 8.117 -3.972 10.622 1.00 2.55 O ATOM 0 H GLU A 101 5.811 -0.407 7.805 1.00 0.56 H new ATOM 0 HA GLU A 101 4.636 -1.280 10.312 1.00 0.61 H new ATOM 0 HB2 GLU A 101 7.224 -1.340 9.195 1.00 0.75 H new ATOM 0 HB3 GLU A 101 7.317 -0.218 10.538 1.00 0.75 H new ATOM 0 HG2 GLU A 101 6.294 -1.822 12.058 1.00 0.88 H new ATOM 0 HG3 GLU A 101 5.891 -2.902 10.739 1.00 0.88 H new ATOM 138 N SER A 102 4.315 0.742 11.614 1.00 0.73 N ATOM 139 CA SER A 102 3.459 1.847 12.034 1.00 0.80 C ATOM 140 C SER A 102 3.819 2.427 13.401 1.00 1.30 C ATOM 141 O SER A 102 4.033 3.635 13.510 1.00 2.83 O ATOM 142 CB SER A 102 2.032 1.300 12.009 1.00 1.00 C ATOM 143 OG SER A 102 1.097 2.272 12.402 1.00 1.73 O ATOM 0 H SER A 102 4.377 -0.031 12.276 1.00 0.73 H new ATOM 0 HA SER A 102 3.587 2.691 11.356 1.00 0.80 H new ATOM 0 HB2 SER A 102 1.794 0.951 11.004 1.00 1.00 H new ATOM 0 HB3 SER A 102 1.961 0.438 12.672 1.00 1.00 H new ATOM 0 HG SER A 102 0.353 1.840 12.872 1.00 1.73 H new ATOM 149 N TYR A 103 3.874 1.572 14.429 1.00 0.94 N ATOM 150 CA TYR A 103 4.055 1.910 15.855 1.00 1.06 C ATOM 151 C TYR A 103 2.803 2.539 16.497 1.00 1.11 C ATOM 152 O TYR A 103 2.853 3.031 17.623 1.00 1.38 O ATOM 153 CB TYR A 103 5.398 2.617 16.068 1.00 1.23 C ATOM 154 CG TYR A 103 6.554 1.927 15.340 1.00 1.48 C ATOM 155 CD1 TYR A 103 6.879 0.569 15.579 1.00 1.87 C ATOM 156 CD2 TYR A 103 7.251 2.632 14.338 1.00 2.70 C ATOM 157 CE1 TYR A 103 7.875 -0.073 14.816 1.00 2.17 C ATOM 158 CE2 TYR A 103 8.242 1.993 13.571 1.00 3.10 C ATOM 159 CZ TYR A 103 8.533 0.628 13.780 1.00 2.39 C ATOM 160 OH TYR A 103 9.408 0.004 12.944 1.00 2.97 O ATOM 0 H TYR A 103 3.789 0.566 14.285 1.00 0.94 H new ATOM 0 HA TYR A 103 4.139 0.995 16.441 1.00 1.06 H new ATOM 0 HB2 TYR A 103 5.320 3.647 15.721 1.00 1.23 H new ATOM 0 HB3 TYR A 103 5.618 2.655 17.135 1.00 1.23 H new ATOM 0 HD1 TYR A 103 6.360 0.022 16.352 1.00 1.87 H new ATOM 0 HD2 TYR A 103 7.022 3.672 14.158 1.00 2.70 H new ATOM 0 HE1 TYR A 103 8.135 -1.101 15.023 1.00 2.17 H new ATOM 0 HE2 TYR A 103 8.782 2.549 12.819 1.00 3.10 H new ATOM 0 HH TYR A 103 9.141 -0.932 12.830 1.00 2.97 H new ATOM 170 N ASP A 104 1.693 2.369 15.770 1.00 1.11 N ATOM 171 CA ASP A 104 0.293 2.738 16.023 1.00 1.24 C ATOM 172 C ASP A 104 -0.588 1.716 15.265 1.00 1.51 C ATOM 173 O ASP A 104 -0.122 1.041 14.346 1.00 2.57 O ATOM 174 CB ASP A 104 -0.057 4.139 15.450 1.00 1.20 C ATOM 175 CG ASP A 104 0.374 5.395 16.225 1.00 1.66 C ATOM 176 OD1 ASP A 104 1.494 5.445 16.774 1.00 2.31 O ATOM 177 OD2 ASP A 104 -0.298 6.433 16.035 1.00 2.64 O ATOM 0 H ASP A 104 1.766 1.905 14.865 1.00 1.11 H new ATOM 0 HA ASP A 104 0.128 2.748 17.100 1.00 1.24 H new ATOM 0 HB2 ASP A 104 0.378 4.204 14.453 1.00 1.20 H new ATOM 0 HB3 ASP A 104 -1.139 4.183 15.329 1.00 1.20 H new ATOM 182 N ASP A 105 -1.889 1.696 15.536 1.00 1.14 N ATOM 183 CA ASP A 105 -2.913 1.048 14.699 1.00 0.90 C ATOM 184 C ASP A 105 -3.199 1.802 13.376 1.00 0.86 C ATOM 185 O ASP A 105 -3.916 1.297 12.501 1.00 0.91 O ATOM 186 CB ASP A 105 -4.182 0.948 15.556 1.00 0.87 C ATOM 187 CG ASP A 105 -4.079 -0.118 16.656 1.00 1.92 C ATOM 188 OD1 ASP A 105 -3.683 -1.261 16.330 1.00 2.89 O ATOM 189 OD2 ASP A 105 -4.457 0.215 17.802 1.00 2.82 O ATOM 0 H ASP A 105 -2.279 2.141 16.367 1.00 1.14 H new ATOM 0 HA ASP A 105 -2.553 0.067 14.388 1.00 0.90 H new ATOM 0 HB2 ASP A 105 -4.382 1.917 16.014 1.00 0.87 H new ATOM 0 HB3 ASP A 105 -5.031 0.718 14.913 1.00 0.87 H new ATOM 194 N TYR A 106 -2.640 3.010 13.216 1.00 1.09 N ATOM 195 CA TYR A 106 -3.030 3.995 12.201 1.00 1.32 C ATOM 196 C TYR A 106 -1.876 4.879 11.668 1.00 1.69 C ATOM 197 O TYR A 106 -1.267 5.698 12.360 1.00 3.36 O ATOM 198 CB TYR A 106 -4.215 4.851 12.704 1.00 1.34 C ATOM 199 CG TYR A 106 -4.354 4.986 14.214 1.00 1.26 C ATOM 200 CD1 TYR A 106 -3.396 5.695 14.961 1.00 2.24 C ATOM 201 CD2 TYR A 106 -5.408 4.329 14.881 1.00 2.00 C ATOM 202 CE1 TYR A 106 -3.455 5.703 16.365 1.00 2.17 C ATOM 203 CE2 TYR A 106 -5.491 4.359 16.285 1.00 2.38 C ATOM 204 CZ TYR A 106 -4.503 5.036 17.036 1.00 1.70 C ATOM 205 OH TYR A 106 -4.550 5.020 18.397 1.00 2.13 O ATOM 0 H TYR A 106 -1.879 3.338 13.810 1.00 1.09 H new ATOM 0 HA TYR A 106 -3.345 3.412 11.335 1.00 1.32 H new ATOM 0 HB2 TYR A 106 -4.121 5.850 12.278 1.00 1.34 H new ATOM 0 HB3 TYR A 106 -5.138 4.423 12.312 1.00 1.34 H new ATOM 0 HD1 TYR A 106 -2.611 6.236 14.453 1.00 2.24 H new ATOM 0 HD2 TYR A 106 -6.157 3.799 14.310 1.00 2.00 H new ATOM 0 HE1 TYR A 106 -2.696 6.221 16.933 1.00 2.17 H new ATOM 0 HE2 TYR A 106 -6.309 3.865 16.789 1.00 2.38 H new ATOM 0 HH TYR A 106 -5.338 4.517 18.691 1.00 2.13 H new ATOM 215 N ARG A 107 -1.677 4.770 10.350 1.00 0.59 N ATOM 216 CA ARG A 107 -0.847 5.628 9.485 1.00 0.69 C ATOM 217 C ARG A 107 -1.521 5.804 8.111 1.00 0.91 C ATOM 218 O ARG A 107 -2.530 5.163 7.817 1.00 1.51 O ATOM 219 CB ARG A 107 0.545 4.985 9.286 1.00 1.14 C ATOM 220 CG ARG A 107 1.401 4.868 10.548 1.00 1.44 C ATOM 221 CD ARG A 107 1.982 6.200 11.020 1.00 1.58 C ATOM 222 NE ARG A 107 2.694 6.015 12.291 1.00 2.23 N ATOM 223 CZ ARG A 107 2.259 6.338 13.501 1.00 3.35 C ATOM 224 NH1 ARG A 107 1.111 6.948 13.711 1.00 4.40 N ATOM 225 NH2 ARG A 107 2.976 5.972 14.537 1.00 4.30 N ATOM 0 H ARG A 107 -2.124 4.025 9.816 1.00 0.59 H new ATOM 0 HA ARG A 107 -0.737 6.601 9.963 1.00 0.69 H new ATOM 0 HB2 ARG A 107 0.409 3.988 8.866 1.00 1.14 H new ATOM 0 HB3 ARG A 107 1.094 5.570 8.548 1.00 1.14 H new ATOM 0 HG2 ARG A 107 0.797 4.441 11.348 1.00 1.44 H new ATOM 0 HG3 ARG A 107 2.218 4.172 10.359 1.00 1.44 H new ATOM 0 HD2 ARG A 107 2.663 6.597 10.267 1.00 1.58 H new ATOM 0 HD3 ARG A 107 1.183 6.931 11.144 1.00 1.58 H new ATOM 0 HE ARG A 107 3.621 5.593 12.237 1.00 2.23 H new ATOM 0 HH11 ARG A 107 0.512 7.193 12.923 1.00 4.40 H new ATOM 0 HH12 ARG A 107 0.821 7.175 14.662 1.00 4.40 H new ATOM 0 HH21 ARG A 107 3.843 5.453 14.399 1.00 4.30 H new ATOM 0 HH22 ARG A 107 2.666 6.207 15.480 1.00 4.30 H new ATOM 239 N TYR A 108 -0.918 6.603 7.230 1.00 0.78 N ATOM 240 CA TYR A 108 -1.009 6.384 5.777 1.00 0.75 C ATOM 241 C TYR A 108 0.276 5.700 5.270 1.00 0.70 C ATOM 242 O TYR A 108 1.215 5.524 6.044 1.00 0.78 O ATOM 243 CB TYR A 108 -1.334 7.700 5.050 1.00 0.93 C ATOM 244 CG TYR A 108 -0.136 8.605 4.915 1.00 0.96 C ATOM 245 CD1 TYR A 108 0.238 9.433 5.987 1.00 1.91 C ATOM 246 CD2 TYR A 108 0.666 8.522 3.761 1.00 2.25 C ATOM 247 CE1 TYR A 108 1.438 10.163 5.924 1.00 2.04 C ATOM 248 CE2 TYR A 108 1.885 9.218 3.716 1.00 2.20 C ATOM 249 CZ TYR A 108 2.275 10.045 4.792 1.00 1.10 C ATOM 250 OH TYR A 108 3.460 10.709 4.738 1.00 1.23 O ATOM 0 H TYR A 108 -0.357 7.413 7.494 1.00 0.78 H new ATOM 0 HA TYR A 108 -1.834 5.708 5.553 1.00 0.75 H new ATOM 0 HB2 TYR A 108 -1.727 7.474 4.058 1.00 0.93 H new ATOM 0 HB3 TYR A 108 -2.120 8.225 5.592 1.00 0.93 H new ATOM 0 HD1 TYR A 108 -0.396 9.509 6.858 1.00 1.91 H new ATOM 0 HD2 TYR A 108 0.347 7.928 2.917 1.00 2.25 H new ATOM 0 HE1 TYR A 108 1.719 10.813 6.739 1.00 2.04 H new ATOM 0 HE2 TYR A 108 2.528 9.120 2.854 1.00 2.20 H new ATOM 0 HH TYR A 108 3.907 10.513 3.888 1.00 1.23 H new ATOM 260 N VAL A 109 0.303 5.298 4.003 1.00 0.63 N ATOM 261 CA VAL A 109 1.508 4.790 3.326 1.00 0.55 C ATOM 262 C VAL A 109 1.852 5.635 2.105 1.00 0.53 C ATOM 263 O VAL A 109 0.941 6.032 1.389 1.00 0.60 O ATOM 264 CB VAL A 109 1.349 3.312 2.921 1.00 0.56 C ATOM 265 CG1 VAL A 109 0.148 3.016 2.027 1.00 0.68 C ATOM 266 CG2 VAL A 109 2.604 2.827 2.203 1.00 0.68 C ATOM 0 H VAL A 109 -0.521 5.313 3.402 1.00 0.63 H new ATOM 0 HA VAL A 109 2.329 4.861 4.039 1.00 0.55 H new ATOM 0 HB VAL A 109 1.184 2.783 3.860 1.00 0.56 H new ATOM 0 HG11 VAL A 109 0.120 1.951 1.796 1.00 0.68 H new ATOM 0 HG12 VAL A 109 -0.769 3.299 2.544 1.00 0.68 H new ATOM 0 HG13 VAL A 109 0.234 3.586 1.102 1.00 0.68 H new ATOM 0 HG21 VAL A 109 2.481 1.781 1.921 1.00 0.68 H new ATOM 0 HG22 VAL A 109 2.766 3.427 1.308 1.00 0.68 H new ATOM 0 HG23 VAL A 109 3.463 2.925 2.866 1.00 0.68 H new ATOM 276 N GLY A 110 3.152 5.850 1.867 1.00 0.52 N ATOM 277 CA GLY A 110 3.708 6.444 0.650 1.00 0.51 C ATOM 278 C GLY A 110 4.441 5.439 -0.245 1.00 0.47 C ATOM 279 O GLY A 110 5.647 5.279 -0.057 1.00 0.66 O ATOM 0 H GLY A 110 3.872 5.604 2.546 1.00 0.52 H new ATOM 0 HA2 GLY A 110 2.901 6.905 0.080 1.00 0.51 H new ATOM 0 HA3 GLY A 110 4.398 7.241 0.927 1.00 0.51 H new ATOM 283 N CYS A 111 3.778 4.821 -1.237 1.00 0.41 N ATOM 284 CA CYS A 111 4.446 4.081 -2.305 1.00 0.41 C ATOM 285 C CYS A 111 4.544 4.863 -3.622 1.00 0.40 C ATOM 286 O CYS A 111 3.660 5.639 -4.021 1.00 0.47 O ATOM 287 CB CYS A 111 3.759 2.729 -2.516 1.00 0.64 C ATOM 288 SG CYS A 111 2.177 2.758 -3.445 1.00 1.06 S ATOM 0 H CYS A 111 2.761 4.824 -1.315 1.00 0.41 H new ATOM 0 HA CYS A 111 5.474 3.919 -1.982 1.00 0.41 H new ATOM 0 HB2 CYS A 111 4.452 2.071 -3.041 1.00 0.64 H new ATOM 0 HB3 CYS A 111 3.574 2.283 -1.539 1.00 0.64 H new ATOM 293 N THR A 112 5.635 4.568 -4.329 1.00 0.44 N ATOM 294 CA THR A 112 5.920 5.088 -5.663 1.00 0.46 C ATOM 295 C THR A 112 5.900 4.024 -6.744 1.00 0.47 C ATOM 296 O THR A 112 6.351 4.284 -7.848 1.00 0.60 O ATOM 297 CB THR A 112 7.251 5.833 -5.693 1.00 0.58 C ATOM 298 OG1 THR A 112 8.254 5.035 -5.108 1.00 0.66 O ATOM 299 CG2 THR A 112 7.110 7.106 -4.884 1.00 0.63 C ATOM 0 H THR A 112 6.363 3.945 -3.979 1.00 0.44 H new ATOM 0 HA THR A 112 5.110 5.783 -5.884 1.00 0.46 H new ATOM 0 HB THR A 112 7.521 6.061 -6.724 1.00 0.58 H new ATOM 0 HG1 THR A 112 9.108 5.515 -5.130 1.00 0.66 H new ATOM 0 HG21 THR A 112 8.054 7.651 -4.895 1.00 0.63 H new ATOM 0 HG22 THR A 112 6.327 7.728 -5.318 1.00 0.63 H new ATOM 0 HG23 THR A 112 6.848 6.857 -3.856 1.00 0.63 H new ATOM 307 N GLY A 113 5.388 2.827 -6.464 1.00 0.54 N ATOM 308 CA GLY A 113 5.392 1.720 -7.420 1.00 0.67 C ATOM 309 C GLY A 113 6.519 0.756 -7.108 1.00 1.09 C ATOM 310 O GLY A 113 7.575 0.813 -7.737 1.00 2.41 O ATOM 0 H GLY A 113 4.958 2.597 -5.568 1.00 0.54 H new ATOM 0 HA2 GLY A 113 4.437 1.196 -7.384 1.00 0.67 H new ATOM 0 HA3 GLY A 113 5.505 2.106 -8.433 1.00 0.67 H new ATOM 314 N SER A 114 6.288 -0.130 -6.134 1.00 1.16 N ATOM 315 CA SER A 114 7.319 -1.022 -5.561 1.00 1.48 C ATOM 316 C SER A 114 8.511 -0.204 -4.967 1.00 1.48 C ATOM 317 O SER A 114 8.317 0.993 -4.749 1.00 1.74 O ATOM 318 CB SER A 114 7.668 -2.075 -6.632 1.00 2.01 C ATOM 319 OG SER A 114 8.628 -1.595 -7.551 1.00 2.72 O ATOM 0 H SER A 114 5.368 -0.255 -5.711 1.00 1.16 H new ATOM 0 HA SER A 114 6.958 -1.571 -4.692 1.00 1.48 H new ATOM 0 HB2 SER A 114 8.048 -2.974 -6.147 1.00 2.01 H new ATOM 0 HB3 SER A 114 6.763 -2.361 -7.168 1.00 2.01 H new ATOM 0 HG SER A 114 8.454 -0.650 -7.742 1.00 2.72 H new ATOM 325 N PRO A 115 9.720 -0.749 -4.682 1.00 1.57 N ATOM 326 CA PRO A 115 10.853 0.081 -4.247 1.00 1.68 C ATOM 327 C PRO A 115 11.501 0.889 -5.385 1.00 1.55 C ATOM 328 O PRO A 115 12.418 1.665 -5.126 1.00 2.10 O ATOM 329 CB PRO A 115 11.871 -0.894 -3.644 1.00 2.14 C ATOM 330 CG PRO A 115 11.600 -2.204 -4.370 1.00 2.27 C ATOM 331 CD PRO A 115 10.102 -2.159 -4.656 1.00 1.95 C ATOM 0 HA PRO A 115 10.504 0.829 -3.535 1.00 1.68 H new ATOM 0 HB2 PRO A 115 12.894 -0.553 -3.804 1.00 2.14 H new ATOM 0 HB3 PRO A 115 11.735 -0.998 -2.568 1.00 2.14 H new ATOM 0 HG2 PRO A 115 12.181 -2.279 -5.289 1.00 2.27 H new ATOM 0 HG3 PRO A 115 11.864 -3.064 -3.755 1.00 2.27 H new ATOM 0 HD2 PRO A 115 9.876 -2.639 -5.608 1.00 1.95 H new ATOM 0 HD3 PRO A 115 9.545 -2.696 -3.888 1.00 1.95 H new ATOM 339 N ALA A 116 11.084 0.683 -6.638 1.00 1.30 N ATOM 340 CA ALA A 116 11.804 1.139 -7.827 1.00 1.43 C ATOM 341 C ALA A 116 11.278 2.454 -8.445 1.00 1.33 C ATOM 342 O ALA A 116 11.627 2.782 -9.576 1.00 1.82 O ATOM 343 CB ALA A 116 11.798 -0.037 -8.808 1.00 1.80 C ATOM 0 H ALA A 116 10.221 0.185 -6.856 1.00 1.30 H new ATOM 0 HA ALA A 116 12.821 1.417 -7.550 1.00 1.43 H new ATOM 0 HB1 ALA A 116 12.324 0.247 -9.719 1.00 1.80 H new ATOM 0 HB2 ALA A 116 12.296 -0.893 -8.353 1.00 1.80 H new ATOM 0 HB3 ALA A 116 10.769 -0.303 -9.051 1.00 1.80 H new ATOM 349 N GLY A 117 10.429 3.212 -7.733 1.00 1.06 N ATOM 350 CA GLY A 117 10.004 4.557 -8.167 1.00 1.15 C ATOM 351 C GLY A 117 9.171 4.559 -9.452 1.00 1.20 C ATOM 352 O GLY A 117 9.297 5.463 -10.280 1.00 1.93 O ATOM 0 H GLY A 117 10.019 2.915 -6.847 1.00 1.06 H new ATOM 0 HA2 GLY A 117 9.424 5.019 -7.369 1.00 1.15 H new ATOM 0 HA3 GLY A 117 10.888 5.176 -8.318 1.00 1.15 H new ATOM 356 N SER A 118 8.358 3.526 -9.647 1.00 0.79 N ATOM 357 CA SER A 118 7.762 3.191 -10.945 1.00 0.84 C ATOM 358 C SER A 118 6.729 4.211 -11.441 1.00 0.80 C ATOM 359 O SER A 118 6.730 4.553 -12.621 1.00 1.04 O ATOM 360 CB SER A 118 7.122 1.800 -10.893 1.00 0.86 C ATOM 361 OG SER A 118 7.250 1.137 -12.134 1.00 1.77 O ATOM 0 H SER A 118 8.088 2.886 -8.900 1.00 0.79 H new ATOM 0 HA SER A 118 8.584 3.209 -11.660 1.00 0.84 H new ATOM 0 HB2 SER A 118 7.595 1.207 -10.110 1.00 0.86 H new ATOM 0 HB3 SER A 118 6.068 1.890 -10.632 1.00 0.86 H new ATOM 0 HG SER A 118 6.836 0.251 -12.076 1.00 1.77 H new ATOM 367 N HIS A 119 5.887 4.748 -10.557 1.00 0.63 N ATOM 368 CA HIS A 119 4.797 5.681 -10.855 1.00 0.62 C ATOM 369 C HIS A 119 5.032 7.087 -10.266 1.00 0.68 C ATOM 370 O HIS A 119 6.188 7.523 -10.183 1.00 1.28 O ATOM 371 CB HIS A 119 3.497 4.978 -10.449 1.00 0.64 C ATOM 372 CG HIS A 119 3.187 4.778 -8.975 1.00 0.55 C ATOM 373 ND1 HIS A 119 2.795 5.708 -8.061 1.00 0.54 N ATOM 374 CD2 HIS A 119 2.989 3.553 -8.424 1.00 0.54 C ATOM 375 CE1 HIS A 119 2.432 5.102 -6.922 1.00 0.52 C ATOM 376 NE2 HIS A 119 2.490 3.772 -7.131 1.00 0.51 N ATOM 0 H HIS A 119 5.949 4.533 -9.562 1.00 0.63 H new ATOM 0 HA HIS A 119 4.737 5.911 -11.919 1.00 0.62 H new ATOM 0 HB2 HIS A 119 2.671 5.541 -10.884 1.00 0.64 H new ATOM 0 HB3 HIS A 119 3.496 3.995 -10.920 1.00 0.64 H new ATOM 0 HD1 HIS A 119 2.780 6.715 -8.219 1.00 0.54 H new ATOM 0 HD2 HIS A 119 3.178 2.597 -8.890 1.00 0.54 H new ATOM 0 HE1 HIS A 119 2.145 5.591 -6.003 1.00 0.52 H new ATOM 384 N THR A 120 3.980 7.826 -9.895 1.00 0.77 N ATOM 385 CA THR A 120 4.076 8.990 -8.990 1.00 0.82 C ATOM 386 C THR A 120 4.316 8.549 -7.553 1.00 0.65 C ATOM 387 O THR A 120 4.842 7.475 -7.332 1.00 0.56 O ATOM 388 CB THR A 120 2.849 9.873 -9.210 1.00 1.04 C ATOM 389 OG1 THR A 120 3.174 11.163 -8.754 1.00 1.11 O ATOM 390 CG2 THR A 120 1.592 9.390 -8.489 1.00 1.04 C ATOM 0 H THR A 120 3.030 7.636 -10.213 1.00 0.77 H new ATOM 0 HA THR A 120 4.948 9.603 -9.220 1.00 0.82 H new ATOM 0 HB THR A 120 2.610 9.847 -10.273 1.00 1.04 H new ATOM 0 HG1 THR A 120 2.406 11.758 -8.882 1.00 1.11 H new ATOM 0 HG21 THR A 120 0.768 10.072 -8.698 1.00 1.04 H new ATOM 0 HG22 THR A 120 1.333 8.391 -8.839 1.00 1.04 H new ATOM 0 HG23 THR A 120 1.777 9.362 -7.415 1.00 1.04 H new ATOM 398 N ILE A 121 3.913 9.348 -6.581 1.00 0.72 N ATOM 399 CA ILE A 121 3.775 9.009 -5.170 1.00 0.66 C ATOM 400 C ILE A 121 2.333 9.142 -4.703 1.00 0.68 C ATOM 401 O ILE A 121 1.634 10.094 -5.039 1.00 0.81 O ATOM 402 CB ILE A 121 4.706 9.896 -4.332 1.00 0.72 C ATOM 403 CG1 ILE A 121 4.540 9.610 -2.831 1.00 0.72 C ATOM 404 CG2 ILE A 121 4.416 11.381 -4.508 1.00 0.82 C ATOM 405 CD1 ILE A 121 5.153 8.312 -2.389 1.00 0.84 C ATOM 0 H ILE A 121 3.655 10.317 -6.766 1.00 0.72 H new ATOM 0 HA ILE A 121 4.061 7.966 -5.036 1.00 0.66 H new ATOM 0 HB ILE A 121 5.711 9.662 -4.682 1.00 0.72 H new ATOM 0 HG12 ILE A 121 4.990 10.425 -2.264 1.00 0.72 H new ATOM 0 HG13 ILE A 121 3.477 9.600 -2.588 1.00 0.72 H new ATOM 0 HG21 ILE A 121 5.104 11.961 -3.893 1.00 0.82 H new ATOM 0 HG22 ILE A 121 4.546 11.655 -5.555 1.00 0.82 H new ATOM 0 HG23 ILE A 121 3.391 11.590 -4.203 1.00 0.82 H new ATOM 0 HD11 ILE A 121 4.995 8.181 -1.319 1.00 0.84 H new ATOM 0 HD12 ILE A 121 4.687 7.487 -2.928 1.00 0.84 H new ATOM 0 HD13 ILE A 121 6.223 8.325 -2.599 1.00 0.84 H new ATOM 417 N MET A 122 1.920 8.157 -3.908 1.00 0.62 N ATOM 418 CA MET A 122 0.555 7.985 -3.469 1.00 0.74 C ATOM 419 C MET A 122 0.373 7.750 -1.994 1.00 0.71 C ATOM 420 O MET A 122 1.214 7.135 -1.358 1.00 0.86 O ATOM 421 CB MET A 122 0.086 6.748 -4.193 1.00 1.00 C ATOM 422 CG MET A 122 -0.032 7.123 -5.641 1.00 1.01 C ATOM 423 SD MET A 122 -1.098 8.512 -6.154 1.00 3.23 S ATOM 424 CE MET A 122 -2.383 8.622 -4.865 1.00 3.91 C ATOM 0 H MET A 122 2.551 7.442 -3.547 1.00 0.62 H new ATOM 0 HA MET A 122 0.006 8.903 -3.679 1.00 0.74 H new ATOM 0 HB2 MET A 122 0.793 5.929 -4.060 1.00 1.00 H new ATOM 0 HB3 MET A 122 -0.872 6.408 -3.801 1.00 1.00 H new ATOM 0 HG2 MET A 122 0.974 7.340 -6.000 1.00 1.01 H new ATOM 0 HG3 MET A 122 -0.377 6.238 -6.175 1.00 1.01 H new ATOM 0 HE1 MET A 122 -3.264 9.120 -5.271 1.00 3.91 H new ATOM 0 HE2 MET A 122 -2.653 7.619 -4.534 1.00 3.91 H new ATOM 0 HE3 MET A 122 -2.001 9.193 -4.018 1.00 3.91 H new ATOM 434 N TRP A 123 -0.789 8.163 -1.494 1.00 0.68 N ATOM 435 CA TRP A 123 -1.095 8.126 -0.063 1.00 0.73 C ATOM 436 C TRP A 123 -2.272 7.185 0.210 1.00 0.74 C ATOM 437 O TRP A 123 -3.423 7.528 -0.062 1.00 0.93 O ATOM 438 CB TRP A 123 -1.326 9.538 0.496 1.00 0.94 C ATOM 439 CG TRP A 123 -0.482 10.639 -0.074 1.00 1.03 C ATOM 440 CD1 TRP A 123 -0.958 11.763 -0.656 1.00 1.34 C ATOM 441 CD2 TRP A 123 0.974 10.768 -0.096 1.00 1.06 C ATOM 442 NE1 TRP A 123 0.093 12.582 -1.015 1.00 1.40 N ATOM 443 CE2 TRP A 123 1.308 12.038 -0.656 1.00 1.16 C ATOM 444 CE3 TRP A 123 2.050 9.953 0.318 1.00 1.32 C ATOM 445 CZ2 TRP A 123 2.629 12.502 -0.742 1.00 1.23 C ATOM 446 CZ3 TRP A 123 3.379 10.412 0.251 1.00 1.55 C ATOM 447 CH2 TRP A 123 3.670 11.688 -0.263 1.00 1.40 C ATOM 0 H TRP A 123 -1.546 8.533 -2.068 1.00 0.68 H new ATOM 0 HA TRP A 123 -0.231 7.724 0.467 1.00 0.73 H new ATOM 0 HB2 TRP A 123 -2.373 9.798 0.340 1.00 0.94 H new ATOM 0 HB3 TRP A 123 -1.162 9.508 1.573 1.00 0.94 H new ATOM 0 HD1 TRP A 123 -2.003 11.986 -0.816 1.00 1.34 H new ATOM 0 HE1 TRP A 123 -0.016 13.479 -1.488 1.00 1.40 H new ATOM 0 HE3 TRP A 123 1.850 8.960 0.693 1.00 1.32 H new ATOM 0 HZ2 TRP A 123 2.843 13.470 -1.170 1.00 1.23 H new ATOM 0 HZ3 TRP A 123 4.182 9.779 0.597 1.00 1.55 H new ATOM 0 HH2 TRP A 123 4.690 12.042 -0.290 1.00 1.40 H new ATOM 458 N LEU A 124 -1.995 5.984 0.731 1.00 0.67 N ATOM 459 CA LEU A 124 -3.013 4.942 0.940 1.00 0.78 C ATOM 460 C LEU A 124 -3.252 4.718 2.446 1.00 0.85 C ATOM 461 O LEU A 124 -2.428 5.123 3.266 1.00 0.79 O ATOM 462 CB LEU A 124 -2.647 3.653 0.160 1.00 0.77 C ATOM 463 CG LEU A 124 -1.813 3.843 -1.142 1.00 0.67 C ATOM 464 CD1 LEU A 124 -1.306 2.512 -1.693 1.00 0.81 C ATOM 465 CD2 LEU A 124 -2.604 4.535 -2.257 1.00 0.74 C ATOM 0 H LEU A 124 -1.058 5.705 1.021 1.00 0.67 H new ATOM 0 HA LEU A 124 -3.967 5.274 0.530 1.00 0.78 H new ATOM 0 HB2 LEU A 124 -2.091 2.996 0.829 1.00 0.77 H new ATOM 0 HB3 LEU A 124 -3.571 3.137 -0.099 1.00 0.77 H new ATOM 0 HG LEU A 124 -0.975 4.474 -0.848 1.00 0.67 H new ATOM 0 HD11 LEU A 124 -0.730 2.690 -2.601 1.00 0.81 H new ATOM 0 HD12 LEU A 124 -0.672 2.028 -0.950 1.00 0.81 H new ATOM 0 HD13 LEU A 124 -2.154 1.867 -1.922 1.00 0.81 H new ATOM 0 HD21 LEU A 124 -1.973 4.641 -3.139 1.00 0.74 H new ATOM 0 HD22 LEU A 124 -3.480 3.936 -2.507 1.00 0.74 H new ATOM 0 HD23 LEU A 124 -2.923 5.521 -1.919 1.00 0.74 H new ATOM 477 N LYS A 125 -4.374 4.095 2.836 1.00 1.03 N ATOM 478 CA LYS A 125 -4.811 3.967 4.245 1.00 1.07 C ATOM 479 C LYS A 125 -4.833 2.508 4.784 1.00 0.81 C ATOM 480 O LYS A 125 -5.893 1.872 4.765 1.00 1.18 O ATOM 481 CB LYS A 125 -6.170 4.676 4.448 1.00 1.74 C ATOM 482 CG LYS A 125 -7.279 4.301 3.441 1.00 3.50 C ATOM 483 CD LYS A 125 -8.692 4.555 4.005 1.00 4.25 C ATOM 484 CE LYS A 125 -9.555 3.284 4.075 1.00 5.63 C ATOM 485 NZ LYS A 125 -8.996 2.248 4.975 1.00 6.27 N ATOM 0 H LYS A 125 -5.017 3.658 2.176 1.00 1.03 H new ATOM 0 HA LYS A 125 -4.051 4.466 4.847 1.00 1.07 H new ATOM 0 HB2 LYS A 125 -6.528 4.454 5.453 1.00 1.74 H new ATOM 0 HB3 LYS A 125 -6.008 5.753 4.398 1.00 1.74 H new ATOM 0 HG2 LYS A 125 -7.146 4.878 2.526 1.00 3.50 H new ATOM 0 HG3 LYS A 125 -7.181 3.249 3.171 1.00 3.50 H new ATOM 0 HD2 LYS A 125 -8.606 4.983 5.004 1.00 4.25 H new ATOM 0 HD3 LYS A 125 -9.196 5.295 3.384 1.00 4.25 H new ATOM 0 HE2 LYS A 125 -10.556 3.550 4.415 1.00 5.63 H new ATOM 0 HE3 LYS A 125 -9.659 2.868 3.073 1.00 5.63 H new ATOM 0 HZ1 LYS A 125 -9.670 1.461 5.059 1.00 6.27 H new ATOM 0 HZ2 LYS A 125 -8.099 1.896 4.584 1.00 6.27 H new ATOM 0 HZ3 LYS A 125 -8.826 2.660 5.915 1.00 6.27 H new ATOM 499 N PRO A 126 -3.699 1.964 5.270 1.00 0.50 N ATOM 500 CA PRO A 126 -3.521 0.530 5.494 1.00 1.01 C ATOM 501 C PRO A 126 -3.952 -0.003 6.873 1.00 1.38 C ATOM 502 O PRO A 126 -3.556 -1.120 7.163 1.00 3.10 O ATOM 503 CB PRO A 126 -2.029 0.314 5.211 1.00 1.27 C ATOM 504 CG PRO A 126 -1.392 1.570 5.791 1.00 0.99 C ATOM 505 CD PRO A 126 -2.401 2.629 5.369 1.00 0.59 C ATOM 0 HA PRO A 126 -4.184 -0.043 4.846 1.00 1.01 H new ATOM 0 HB2 PRO A 126 -1.653 -0.589 5.691 1.00 1.27 H new ATOM 0 HB3 PRO A 126 -1.830 0.215 4.144 1.00 1.27 H new ATOM 0 HG2 PRO A 126 -1.282 1.514 6.874 1.00 0.99 H new ATOM 0 HG3 PRO A 126 -0.401 1.758 5.379 1.00 0.99 H new ATOM 0 HD2 PRO A 126 -2.437 3.440 6.097 1.00 0.59 H new ATOM 0 HD3 PRO A 126 -2.120 3.071 4.413 1.00 0.59 H new ATOM 513 N THR A 127 -4.727 0.756 7.674 1.00 0.73 N ATOM 514 CA THR A 127 -5.065 0.648 9.119 1.00 0.71 C ATOM 515 C THR A 127 -5.077 -0.772 9.683 1.00 0.59 C ATOM 516 O THR A 127 -5.444 -1.689 8.970 1.00 0.71 O ATOM 517 CB THR A 127 -6.479 1.218 9.313 1.00 1.03 C ATOM 518 OG1 THR A 127 -6.722 2.327 8.474 1.00 1.35 O ATOM 519 CG2 THR A 127 -6.871 1.599 10.733 1.00 1.10 C ATOM 0 H THR A 127 -5.195 1.569 7.274 1.00 0.73 H new ATOM 0 HA THR A 127 -4.283 1.190 9.650 1.00 0.71 H new ATOM 0 HB THR A 127 -7.105 0.368 9.041 1.00 1.03 H new ATOM 0 HG1 THR A 127 -7.662 2.327 8.196 1.00 1.35 H new ATOM 0 HG21 THR A 127 -7.889 1.987 10.737 1.00 1.10 H new ATOM 0 HG22 THR A 127 -6.815 0.719 11.374 1.00 1.10 H new ATOM 0 HG23 THR A 127 -6.189 2.364 11.106 1.00 1.10 H new ATOM 527 N VAL A 128 -4.824 -0.975 10.978 1.00 0.60 N ATOM 528 CA VAL A 128 -4.757 -2.333 11.575 1.00 0.71 C ATOM 529 C VAL A 128 -5.923 -3.283 11.188 1.00 0.87 C ATOM 530 O VAL A 128 -5.702 -4.449 10.848 1.00 1.03 O ATOM 531 CB VAL A 128 -4.616 -2.267 13.109 1.00 0.85 C ATOM 532 CG1 VAL A 128 -5.852 -1.621 13.736 1.00 0.96 C ATOM 533 CG2 VAL A 128 -4.360 -3.655 13.718 1.00 1.09 C ATOM 0 H VAL A 128 -4.660 -0.220 11.644 1.00 0.60 H new ATOM 0 HA VAL A 128 -3.861 -2.773 11.138 1.00 0.71 H new ATOM 0 HB VAL A 128 -3.748 -1.647 13.332 1.00 0.85 H new ATOM 0 HG11 VAL A 128 -5.733 -1.584 14.819 1.00 0.96 H new ATOM 0 HG12 VAL A 128 -5.970 -0.609 13.349 1.00 0.96 H new ATOM 0 HG13 VAL A 128 -6.735 -2.209 13.488 1.00 0.96 H new ATOM 0 HG21 VAL A 128 -4.267 -3.566 14.800 1.00 1.09 H new ATOM 0 HG22 VAL A 128 -5.193 -4.316 13.479 1.00 1.09 H new ATOM 0 HG23 VAL A 128 -3.439 -4.068 13.307 1.00 1.09 H new ATOM 543 N ASN A 129 -7.163 -2.769 11.191 1.00 0.94 N ATOM 544 CA ASN A 129 -8.395 -3.490 10.830 1.00 1.18 C ATOM 545 C ASN A 129 -8.610 -3.652 9.319 1.00 1.21 C ATOM 546 O ASN A 129 -9.560 -4.305 8.889 1.00 1.47 O ATOM 547 CB ASN A 129 -9.593 -2.794 11.495 1.00 1.36 C ATOM 548 CG ASN A 129 -9.616 -3.030 13.001 1.00 1.46 C ATOM 549 OD1 ASN A 129 -9.796 -4.146 13.464 1.00 1.53 O ATOM 550 ND2 ASN A 129 -9.429 -2.001 13.807 1.00 1.76 N ATOM 0 H ASN A 129 -7.343 -1.800 11.456 1.00 0.94 H new ATOM 0 HA ASN A 129 -8.294 -4.509 11.203 1.00 1.18 H new ATOM 0 HB2 ASN A 129 -9.549 -1.723 11.295 1.00 1.36 H new ATOM 0 HB3 ASN A 129 -10.519 -3.163 11.054 1.00 1.36 H new ATOM 0 HD21 ASN A 129 -9.435 -2.137 14.818 1.00 1.76 H new ATOM 0 HD22 ASN A 129 -9.279 -1.070 13.419 1.00 1.76 H new ATOM 557 N GLU A 130 -7.751 -3.045 8.510 1.00 0.98 N ATOM 558 CA GLU A 130 -8.021 -2.722 7.128 1.00 0.97 C ATOM 559 C GLU A 130 -6.894 -3.148 6.211 1.00 0.66 C ATOM 560 O GLU A 130 -5.901 -3.743 6.613 1.00 0.70 O ATOM 561 CB GLU A 130 -8.203 -1.205 6.998 1.00 1.18 C ATOM 562 CG GLU A 130 -9.313 -0.715 7.911 1.00 1.38 C ATOM 563 CD GLU A 130 -9.788 0.633 7.367 1.00 1.89 C ATOM 564 OE1 GLU A 130 -10.613 0.640 6.428 1.00 2.55 O ATOM 565 OE2 GLU A 130 -9.132 1.661 7.664 1.00 3.10 O ATOM 0 H GLU A 130 -6.821 -2.758 8.814 1.00 0.98 H new ATOM 0 HA GLU A 130 -8.922 -3.259 6.833 1.00 0.97 H new ATOM 0 HB2 GLU A 130 -7.270 -0.700 7.248 1.00 1.18 H new ATOM 0 HB3 GLU A 130 -8.437 -0.949 5.964 1.00 1.18 H new ATOM 0 HG2 GLU A 130 -10.135 -1.431 7.935 1.00 1.38 H new ATOM 0 HG3 GLU A 130 -8.951 -0.611 8.934 1.00 1.38 H new ATOM 572 N VAL A 131 -7.109 -2.808 4.952 1.00 0.60 N ATOM 573 CA VAL A 131 -6.233 -2.965 3.814 1.00 0.52 C ATOM 574 C VAL A 131 -6.536 -1.806 2.861 1.00 0.65 C ATOM 575 O VAL A 131 -7.636 -1.242 2.904 1.00 0.79 O ATOM 576 CB VAL A 131 -6.458 -4.329 3.148 1.00 0.42 C ATOM 577 CG1 VAL A 131 -5.971 -5.446 4.069 1.00 0.41 C ATOM 578 CG2 VAL A 131 -7.927 -4.560 2.763 1.00 0.46 C ATOM 0 H VAL A 131 -7.990 -2.372 4.679 1.00 0.60 H new ATOM 0 HA VAL A 131 -5.184 -2.940 4.110 1.00 0.52 H new ATOM 0 HB VAL A 131 -5.881 -4.337 2.223 1.00 0.42 H new ATOM 0 HG11 VAL A 131 -6.134 -6.411 3.589 1.00 0.41 H new ATOM 0 HG12 VAL A 131 -4.907 -5.315 4.268 1.00 0.41 H new ATOM 0 HG13 VAL A 131 -6.523 -5.410 5.008 1.00 0.41 H new ATOM 0 HG21 VAL A 131 -8.031 -5.539 2.296 1.00 0.46 H new ATOM 0 HG22 VAL A 131 -8.549 -4.517 3.657 1.00 0.46 H new ATOM 0 HG23 VAL A 131 -8.245 -3.788 2.062 1.00 0.46 H new ATOM 588 N ALA A 132 -5.584 -1.436 2.008 1.00 0.60 N ATOM 589 CA ALA A 132 -5.796 -0.415 0.982 1.00 0.70 C ATOM 590 C ALA A 132 -5.115 -0.810 -0.324 1.00 0.68 C ATOM 591 O ALA A 132 -3.942 -1.166 -0.314 1.00 0.58 O ATOM 592 CB ALA A 132 -5.273 0.933 1.494 1.00 0.81 C ATOM 0 H ALA A 132 -4.645 -1.834 2.007 1.00 0.60 H new ATOM 0 HA ALA A 132 -6.863 -0.326 0.778 1.00 0.70 H new ATOM 0 HB1 ALA A 132 -5.429 1.697 0.732 1.00 0.81 H new ATOM 0 HB2 ALA A 132 -5.809 1.210 2.401 1.00 0.81 H new ATOM 0 HB3 ALA A 132 -4.208 0.851 1.713 1.00 0.81 H new ATOM 598 N ARG A 133 -5.836 -0.693 -1.443 1.00 0.83 N ATOM 599 CA ARG A 133 -5.236 -0.804 -2.766 1.00 0.75 C ATOM 600 C ARG A 133 -4.711 0.567 -3.166 1.00 0.64 C ATOM 601 O ARG A 133 -5.420 1.564 -3.001 1.00 0.66 O ATOM 602 CB ARG A 133 -6.231 -1.312 -3.825 1.00 0.82 C ATOM 603 CG ARG A 133 -5.492 -2.021 -4.979 1.00 0.84 C ATOM 604 CD ARG A 133 -6.236 -1.987 -6.323 1.00 1.15 C ATOM 605 NE ARG A 133 -7.634 -2.444 -6.229 1.00 1.63 N ATOM 606 CZ ARG A 133 -8.060 -3.698 -6.209 1.00 2.94 C ATOM 607 NH1 ARG A 133 -7.217 -4.711 -6.223 1.00 3.98 N ATOM 608 NH2 ARG A 133 -9.354 -3.939 -6.173 1.00 4.04 N ATOM 0 H ARG A 133 -6.841 -0.520 -1.453 1.00 0.83 H new ATOM 0 HA ARG A 133 -4.430 -1.536 -2.718 1.00 0.75 H new ATOM 0 HB2 ARG A 133 -6.939 -2.000 -3.364 1.00 0.82 H new ATOM 0 HB3 ARG A 133 -6.809 -0.476 -4.218 1.00 0.82 H new ATOM 0 HG2 ARG A 133 -4.514 -1.558 -5.107 1.00 0.84 H new ATOM 0 HG3 ARG A 133 -5.319 -3.060 -4.699 1.00 0.84 H new ATOM 0 HD2 ARG A 133 -6.219 -0.969 -6.713 1.00 1.15 H new ATOM 0 HD3 ARG A 133 -5.704 -2.612 -7.040 1.00 1.15 H new ATOM 0 HE ARG A 133 -8.349 -1.718 -6.174 1.00 1.63 H new ATOM 0 HH11 ARG A 133 -6.212 -4.538 -6.250 1.00 3.98 H new ATOM 0 HH12 ARG A 133 -7.569 -5.668 -6.207 1.00 3.98 H new ATOM 0 HH21 ARG A 133 -10.017 -3.164 -6.161 1.00 4.04 H new ATOM 0 HH22 ARG A 133 -9.693 -4.901 -6.157 1.00 4.04 H new ATOM 622 N CYS A 134 -3.528 0.581 -3.757 1.00 0.59 N ATOM 623 CA CYS A 134 -3.114 1.619 -4.668 1.00 0.63 C ATOM 624 C CYS A 134 -4.090 1.733 -5.852 1.00 0.80 C ATOM 625 O CYS A 134 -4.728 0.762 -6.261 1.00 1.23 O ATOM 626 CB CYS A 134 -1.705 1.200 -5.070 1.00 0.63 C ATOM 627 SG CYS A 134 -0.739 2.439 -5.967 1.00 0.65 S ATOM 0 H CYS A 134 -2.823 -0.141 -3.611 1.00 0.59 H new ATOM 0 HA CYS A 134 -3.117 2.618 -4.232 1.00 0.63 H new ATOM 0 HB2 CYS A 134 -1.158 0.923 -4.169 1.00 0.63 H new ATOM 0 HB3 CYS A 134 -1.775 0.305 -5.688 1.00 0.63 H new ATOM 632 N TRP A 135 -4.171 2.924 -6.432 1.00 0.78 N ATOM 633 CA TRP A 135 -4.764 3.116 -7.752 1.00 0.94 C ATOM 634 C TRP A 135 -3.689 3.166 -8.850 1.00 0.94 C ATOM 635 O TRP A 135 -4.030 2.977 -10.012 1.00 1.17 O ATOM 636 CB TRP A 135 -5.610 4.392 -7.736 1.00 1.05 C ATOM 637 CG TRP A 135 -4.840 5.663 -7.890 1.00 1.13 C ATOM 638 CD1 TRP A 135 -4.193 6.331 -6.909 1.00 1.16 C ATOM 639 CD2 TRP A 135 -4.452 6.321 -9.137 1.00 1.34 C ATOM 640 NE1 TRP A 135 -3.600 7.448 -7.457 1.00 1.35 N ATOM 641 CE2 TRP A 135 -3.677 7.471 -8.826 1.00 1.45 C ATOM 642 CE3 TRP A 135 -4.556 5.983 -10.501 1.00 1.51 C ATOM 643 CZ2 TRP A 135 -3.073 8.279 -9.804 1.00 1.67 C ATOM 644 CZ3 TRP A 135 -3.862 6.711 -11.481 1.00 1.73 C ATOM 645 CH2 TRP A 135 -3.147 7.874 -11.146 1.00 1.80 C ATOM 0 H TRP A 135 -3.828 3.783 -6.003 1.00 0.78 H new ATOM 0 HA TRP A 135 -5.405 2.265 -7.984 1.00 0.94 H new ATOM 0 HB2 TRP A 135 -6.346 4.332 -8.537 1.00 1.05 H new ATOM 0 HB3 TRP A 135 -6.163 4.431 -6.797 1.00 1.05 H new ATOM 0 HD1 TRP A 135 -4.148 6.039 -5.870 1.00 1.16 H new ATOM 0 HE1 TRP A 135 -3.152 8.179 -6.904 1.00 1.35 H new ATOM 0 HE3 TRP A 135 -5.179 5.152 -10.797 1.00 1.51 H new ATOM 0 HZ2 TRP A 135 -2.563 9.191 -9.530 1.00 1.67 H new ATOM 0 HZ3 TRP A 135 -3.878 6.373 -12.506 1.00 1.73 H new ATOM 0 HH2 TRP A 135 -2.658 8.452 -11.916 1.00 1.80 H new ATOM 656 N GLU A 136 -2.428 3.417 -8.477 1.00 0.73 N ATOM 657 CA GLU A 136 -1.309 3.554 -9.408 1.00 0.77 C ATOM 658 C GLU A 136 -0.777 2.146 -9.758 1.00 0.83 C ATOM 659 O GLU A 136 -1.343 1.495 -10.624 1.00 1.06 O ATOM 660 CB GLU A 136 -0.240 4.483 -8.829 1.00 0.69 C ATOM 661 CG GLU A 136 -0.444 5.964 -9.160 1.00 0.71 C ATOM 662 CD GLU A 136 0.318 6.332 -10.425 1.00 0.98 C ATOM 663 OE1 GLU A 136 0.124 5.629 -11.431 1.00 1.61 O ATOM 664 OE2 GLU A 136 1.204 7.217 -10.357 1.00 1.49 O ATOM 0 H GLU A 136 -2.155 3.532 -7.501 1.00 0.73 H new ATOM 0 HA GLU A 136 -1.636 4.022 -10.337 1.00 0.77 H new ATOM 0 HB2 GLU A 136 -0.221 4.364 -7.746 1.00 0.69 H new ATOM 0 HB3 GLU A 136 0.736 4.171 -9.201 1.00 0.69 H new ATOM 0 HG2 GLU A 136 -1.506 6.171 -9.294 1.00 0.71 H new ATOM 0 HG3 GLU A 136 -0.101 6.580 -8.329 1.00 0.71 H new ATOM 671 N CYS A 137 0.229 1.605 -9.041 1.00 0.75 N ATOM 672 CA CYS A 137 0.744 0.249 -9.259 1.00 0.82 C ATOM 673 C CYS A 137 -0.269 -0.883 -8.937 1.00 0.94 C ATOM 674 O CYS A 137 -0.045 -2.046 -9.294 1.00 1.36 O ATOM 675 CB CYS A 137 2.062 0.074 -8.480 1.00 0.78 C ATOM 676 SG CYS A 137 1.995 0.158 -6.654 1.00 0.85 S ATOM 0 H CYS A 137 0.706 2.105 -8.291 1.00 0.75 H new ATOM 0 HA CYS A 137 0.928 0.147 -10.329 1.00 0.82 H new ATOM 0 HB2 CYS A 137 2.487 -0.891 -8.755 1.00 0.78 H new ATOM 0 HB3 CYS A 137 2.758 0.839 -8.825 1.00 0.78 H new ATOM 681 N GLY A 138 -1.347 -0.550 -8.215 1.00 0.66 N ATOM 682 CA GLY A 138 -2.530 -1.385 -7.973 1.00 0.66 C ATOM 683 C GLY A 138 -2.313 -2.570 -7.034 1.00 0.72 C ATOM 684 O GLY A 138 -3.132 -3.490 -7.025 1.00 0.84 O ATOM 0 H GLY A 138 -1.421 0.359 -7.759 1.00 0.66 H new ATOM 0 HA2 GLY A 138 -3.320 -0.756 -7.561 1.00 0.66 H new ATOM 0 HA3 GLY A 138 -2.890 -1.762 -8.930 1.00 0.66 H new ATOM 688 N SER A 139 -1.241 -2.571 -6.238 1.00 0.75 N ATOM 689 CA SER A 139 -1.094 -3.540 -5.147 1.00 0.84 C ATOM 690 C SER A 139 -1.954 -3.167 -3.937 1.00 0.69 C ATOM 691 O SER A 139 -2.112 -1.983 -3.649 1.00 0.71 O ATOM 692 CB SER A 139 0.385 -3.787 -4.772 1.00 1.11 C ATOM 693 OG SER A 139 0.916 -3.027 -3.730 1.00 1.57 O ATOM 0 H SER A 139 -0.465 -1.915 -6.327 1.00 0.75 H new ATOM 0 HA SER A 139 -1.471 -4.493 -5.517 1.00 0.84 H new ATOM 0 HB2 SER A 139 0.496 -4.840 -4.512 1.00 1.11 H new ATOM 0 HB3 SER A 139 0.992 -3.612 -5.660 1.00 1.11 H new ATOM 0 HG SER A 139 0.457 -2.162 -3.689 1.00 1.57 H new ATOM 699 N VAL A 140 -2.503 -4.161 -3.230 1.00 0.66 N ATOM 700 CA VAL A 140 -3.010 -3.962 -1.868 1.00 0.53 C ATOM 701 C VAL A 140 -1.844 -3.999 -0.880 1.00 0.49 C ATOM 702 O VAL A 140 -0.895 -4.754 -1.062 1.00 0.56 O ATOM 703 CB VAL A 140 -4.107 -4.979 -1.493 1.00 0.52 C ATOM 704 CG1 VAL A 140 -4.666 -4.785 -0.078 1.00 0.47 C ATOM 705 CG2 VAL A 140 -5.286 -4.879 -2.480 1.00 0.57 C ATOM 0 H VAL A 140 -2.608 -5.113 -3.580 1.00 0.66 H new ATOM 0 HA VAL A 140 -3.485 -2.982 -1.821 1.00 0.53 H new ATOM 0 HB VAL A 140 -3.626 -5.956 -1.538 1.00 0.52 H new ATOM 0 HG11 VAL A 140 -5.433 -5.535 0.116 1.00 0.47 H new ATOM 0 HG12 VAL A 140 -3.861 -4.892 0.649 1.00 0.47 H new ATOM 0 HG13 VAL A 140 -5.102 -3.790 0.008 1.00 0.47 H new ATOM 0 HG21 VAL A 140 -6.054 -5.602 -2.204 1.00 0.57 H new ATOM 0 HG22 VAL A 140 -5.705 -3.874 -2.445 1.00 0.57 H new ATOM 0 HG23 VAL A 140 -4.934 -5.091 -3.490 1.00 0.57 H new ATOM 715 N TYR A 141 -1.960 -3.185 0.166 1.00 0.43 N ATOM 716 CA TYR A 141 -1.053 -2.999 1.291 1.00 0.42 C ATOM 717 C TYR A 141 -1.790 -3.206 2.615 1.00 0.38 C ATOM 718 O TYR A 141 -2.964 -2.839 2.741 1.00 0.39 O ATOM 719 CB TYR A 141 -0.544 -1.552 1.287 1.00 0.43 C ATOM 720 CG TYR A 141 0.348 -1.211 0.124 1.00 0.46 C ATOM 721 CD1 TYR A 141 -0.198 -0.873 -1.128 1.00 1.74 C ATOM 722 CD2 TYR A 141 1.740 -1.282 0.300 1.00 1.57 C ATOM 723 CE1 TYR A 141 0.654 -0.639 -2.219 1.00 1.78 C ATOM 724 CE2 TYR A 141 2.596 -1.020 -0.778 1.00 1.58 C ATOM 725 CZ TYR A 141 2.053 -0.707 -2.046 1.00 0.57 C ATOM 726 OH TYR A 141 2.874 -0.516 -3.111 1.00 0.64 O ATOM 0 H TYR A 141 -2.775 -2.578 0.254 1.00 0.43 H new ATOM 0 HA TYR A 141 -0.238 -3.717 1.195 1.00 0.42 H new ATOM 0 HB2 TYR A 141 -1.401 -0.878 1.282 1.00 0.43 H new ATOM 0 HB3 TYR A 141 0.001 -1.368 2.213 1.00 0.43 H new ATOM 0 HD1 TYR A 141 -1.268 -0.794 -1.249 1.00 1.74 H new ATOM 0 HD2 TYR A 141 2.150 -1.538 1.266 1.00 1.57 H new ATOM 0 HE1 TYR A 141 0.240 -0.407 -3.189 1.00 1.78 H new ATOM 0 HE2 TYR A 141 3.667 -1.057 -0.641 1.00 1.58 H new ATOM 0 HH TYR A 141 2.781 0.404 -3.435 1.00 0.64 H new ATOM 736 N LYS A 142 -1.076 -3.714 3.622 1.00 0.39 N ATOM 737 CA LYS A 142 -1.535 -3.781 5.006 1.00 0.24 C ATOM 738 C LYS A 142 -0.575 -3.100 5.996 1.00 0.32 C ATOM 739 O LYS A 142 0.636 -2.992 5.809 1.00 0.41 O ATOM 740 CB LYS A 142 -1.786 -5.242 5.433 1.00 0.44 C ATOM 741 CG LYS A 142 -2.893 -5.223 6.492 1.00 0.55 C ATOM 742 CD LYS A 142 -3.147 -6.483 7.302 1.00 0.86 C ATOM 743 CE LYS A 142 -4.392 -6.066 8.094 1.00 1.07 C ATOM 744 NZ LYS A 142 -4.945 -7.144 8.937 1.00 1.93 N ATOM 0 H LYS A 142 -0.140 -4.099 3.492 1.00 0.39 H new ATOM 0 HA LYS A 142 -2.473 -3.227 5.039 1.00 0.24 H new ATOM 0 HB2 LYS A 142 -2.084 -5.847 4.577 1.00 0.44 H new ATOM 0 HB3 LYS A 142 -0.876 -5.686 5.836 1.00 0.44 H new ATOM 0 HG2 LYS A 142 -2.667 -4.419 7.193 1.00 0.55 H new ATOM 0 HG3 LYS A 142 -3.825 -4.958 5.992 1.00 0.55 H new ATOM 0 HD2 LYS A 142 -3.331 -7.351 6.669 1.00 0.86 H new ATOM 0 HD3 LYS A 142 -2.308 -6.733 7.951 1.00 0.86 H new ATOM 0 HE2 LYS A 142 -4.142 -5.214 8.726 1.00 1.07 H new ATOM 0 HE3 LYS A 142 -5.160 -5.731 7.397 1.00 1.07 H new ATOM 0 HZ1 LYS A 142 -5.783 -6.794 9.443 1.00 1.93 H new ATOM 0 HZ2 LYS A 142 -5.214 -7.950 8.337 1.00 1.93 H new ATOM 0 HZ3 LYS A 142 -4.228 -7.449 9.625 1.00 1.93 H new ATOM 758 N LEU A 143 -1.157 -2.674 7.106 1.00 0.40 N ATOM 759 CA LEU A 143 -0.464 -2.263 8.324 1.00 0.44 C ATOM 760 C LEU A 143 -0.311 -3.442 9.278 1.00 0.49 C ATOM 761 O LEU A 143 -1.103 -4.385 9.272 1.00 0.60 O ATOM 762 CB LEU A 143 -1.281 -1.133 8.954 1.00 0.45 C ATOM 763 CG LEU A 143 -0.701 -0.436 10.192 1.00 0.56 C ATOM 764 CD1 LEU A 143 -1.067 1.039 10.054 1.00 0.46 C ATOM 765 CD2 LEU A 143 -1.321 -0.955 11.497 1.00 0.91 C ATOM 0 H LEU A 143 -2.171 -2.601 7.189 1.00 0.40 H new ATOM 0 HA LEU A 143 0.543 -1.912 8.098 1.00 0.44 H new ATOM 0 HB2 LEU A 143 -1.448 -0.374 8.190 1.00 0.45 H new ATOM 0 HB3 LEU A 143 -2.258 -1.535 9.223 1.00 0.45 H new ATOM 0 HG LEU A 143 0.372 -0.619 10.242 1.00 0.56 H new ATOM 0 HD11 LEU A 143 -0.680 1.592 10.910 1.00 0.46 H new ATOM 0 HD12 LEU A 143 -0.632 1.438 9.138 1.00 0.46 H new ATOM 0 HD13 LEU A 143 -2.151 1.143 10.016 1.00 0.46 H new ATOM 0 HD21 LEU A 143 -0.878 -0.431 12.344 1.00 0.91 H new ATOM 0 HD22 LEU A 143 -2.397 -0.779 11.484 1.00 0.91 H new ATOM 0 HD23 LEU A 143 -1.129 -2.024 11.591 1.00 0.91 H new ATOM 777 N ASN A 144 0.679 -3.345 10.150 1.00 0.50 N ATOM 778 CA ASN A 144 0.808 -4.165 11.339 1.00 0.51 C ATOM 779 C ASN A 144 0.822 -3.212 12.561 1.00 0.97 C ATOM 780 O ASN A 144 1.406 -2.129 12.493 1.00 1.36 O ATOM 781 CB ASN A 144 2.047 -5.076 11.184 1.00 0.46 C ATOM 782 CG ASN A 144 3.355 -4.352 10.865 1.00 0.83 C ATOM 783 OD1 ASN A 144 3.413 -3.142 10.782 1.00 1.37 O ATOM 784 ND2 ASN A 144 4.443 -5.068 10.667 1.00 1.07 N ATOM 0 H ASN A 144 1.438 -2.672 10.045 1.00 0.50 H new ATOM 0 HA ASN A 144 -0.027 -4.849 11.491 1.00 0.51 H new ATOM 0 HB2 ASN A 144 2.180 -5.641 12.107 1.00 0.46 H new ATOM 0 HB3 ASN A 144 1.849 -5.799 10.393 1.00 0.46 H new ATOM 0 HD21 ASN A 144 5.325 -4.605 10.446 1.00 1.07 H new ATOM 0 HD22 ASN A 144 4.404 -6.085 10.735 1.00 1.07 H new ATOM 791 N PRO A 145 0.142 -3.553 13.674 1.00 1.37 N ATOM 792 CA PRO A 145 -0.053 -2.636 14.809 1.00 1.96 C ATOM 793 C PRO A 145 1.260 -2.350 15.542 1.00 1.79 C ATOM 794 O PRO A 145 1.468 -1.268 16.077 1.00 2.68 O ATOM 795 CB PRO A 145 -1.021 -3.372 15.741 1.00 2.55 C ATOM 796 CG PRO A 145 -0.706 -4.844 15.468 1.00 2.31 C ATOM 797 CD PRO A 145 -0.457 -4.848 13.959 1.00 1.70 C ATOM 0 HA PRO A 145 -0.431 -1.670 14.476 1.00 1.96 H new ATOM 0 HB2 PRO A 145 -0.854 -3.110 16.786 1.00 2.55 H new ATOM 0 HB3 PRO A 145 -2.060 -3.133 15.515 1.00 2.55 H new ATOM 0 HG2 PRO A 145 0.167 -5.183 16.025 1.00 2.31 H new ATOM 0 HG3 PRO A 145 -1.535 -5.496 15.745 1.00 2.31 H new ATOM 0 HD2 PRO A 145 0.207 -5.663 13.671 1.00 1.70 H new ATOM 0 HD3 PRO A 145 -1.386 -4.984 13.406 1.00 1.70 H new ATOM 805 N VAL A 146 2.146 -3.347 15.515 1.00 0.94 N ATOM 806 CA VAL A 146 3.475 -3.418 16.132 1.00 0.78 C ATOM 807 C VAL A 146 3.579 -2.840 17.559 1.00 1.31 C ATOM 808 O VAL A 146 2.613 -2.770 18.315 1.00 2.30 O ATOM 809 CB VAL A 146 4.536 -2.847 15.156 1.00 0.89 C ATOM 810 CG1 VAL A 146 4.510 -3.571 13.832 1.00 1.44 C ATOM 811 CG2 VAL A 146 4.350 -1.376 14.827 1.00 2.24 C ATOM 0 H VAL A 146 1.932 -4.209 15.013 1.00 0.94 H new ATOM 0 HA VAL A 146 3.681 -4.475 16.299 1.00 0.78 H new ATOM 0 HB VAL A 146 5.478 -2.985 15.687 1.00 0.89 H new ATOM 0 HG11 VAL A 146 5.265 -3.147 13.170 1.00 1.44 H new ATOM 0 HG12 VAL A 146 4.720 -4.629 13.991 1.00 1.44 H new ATOM 0 HG13 VAL A 146 3.526 -3.461 13.376 1.00 1.44 H new ATOM 0 HG21 VAL A 146 5.132 -1.055 14.139 1.00 2.24 H new ATOM 0 HG22 VAL A 146 3.375 -1.228 14.362 1.00 2.24 H new ATOM 0 HG23 VAL A 146 4.409 -0.788 15.743 1.00 2.24 H new ATOM 821 N GLY A 147 4.802 -2.472 17.937 1.00 1.29 N ATOM 822 CA GLY A 147 5.153 -1.548 18.998 1.00 1.69 C ATOM 823 C GLY A 147 6.663 -1.381 19.018 1.00 1.99 C ATOM 824 O GLY A 147 7.413 -2.269 18.622 1.00 2.08 O ATOM 0 H GLY A 147 5.630 -2.843 17.471 1.00 1.29 H new ATOM 0 HA2 GLY A 147 4.668 -0.585 18.836 1.00 1.69 H new ATOM 0 HA3 GLY A 147 4.802 -1.924 19.959 1.00 1.69 H new TER 828 GLY A 147 HETATM 829 ZN ZN A 156 1.641 2.365 -5.772 1.00 0.60 ZN