USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=14 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 Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 163:sc= 1.26 (180deg=1.1) USER MOD Single : A 102 SER OG : rot 20:sc= 0.807 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 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 78:sc= 1.2 USER MOD Single : A 114 SER OG : rot 180:sc= -0.491 USER MOD Single : A 118 SER OG : rot 136:sc= 1.23 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.0975 USER MOD Single : A 122 MET CE :methyl 139:sc= -1.5 (180deg=-3) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 THR OG1 : rot 141:sc= 1.21 USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 139 SER OG : rot -127:sc= 1.6 USER MOD Single : A 141 TYR OH : rot -98:sc= 1.43 USER MOD Single : A 142 LYS NZ :NH3+ -139:sc= 2.73 (180deg=-1.15) USER MOD Single : A 144 ASN : amide:sc= -3.13 K(o=-3.1,f=-7.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 94 -6.438 -8.225 -0.473 1.00 0.76 N ATOM 2 CA MET A 94 -7.040 -8.254 0.853 1.00 0.80 C ATOM 3 C MET A 94 -6.737 -9.554 1.582 1.00 1.10 C ATOM 4 O MET A 94 -7.320 -10.612 1.366 1.00 2.58 O ATOM 5 CB MET A 94 -8.544 -8.029 0.797 1.00 0.79 C ATOM 6 CG MET A 94 -8.867 -7.005 -0.273 1.00 0.78 C ATOM 7 SD MET A 94 -10.437 -6.131 -0.065 1.00 1.03 S ATOM 8 CE MET A 94 -10.814 -5.750 -1.790 1.00 2.46 C ATOM 0 HA MET A 94 -6.591 -7.433 1.412 1.00 0.80 H new ATOM 0 HB2 MET A 94 -9.054 -8.968 0.582 1.00 0.79 H new ATOM 0 HB3 MET A 94 -8.906 -7.684 1.765 1.00 0.79 H new ATOM 0 HG2 MET A 94 -8.063 -6.270 -0.302 1.00 0.78 H new ATOM 0 HG3 MET A 94 -8.876 -7.507 -1.241 1.00 0.78 H new ATOM 0 HE1 MET A 94 -11.758 -5.207 -1.845 1.00 2.46 H new ATOM 0 HE2 MET A 94 -10.017 -5.136 -2.209 1.00 2.46 H new ATOM 0 HE3 MET A 94 -10.895 -6.677 -2.358 1.00 2.46 H new ATOM 18 N LYS A 95 -5.767 -9.368 2.443 1.00 0.88 N ATOM 19 CA LYS A 95 -5.130 -10.257 3.401 1.00 0.81 C ATOM 20 C LYS A 95 -4.010 -9.469 4.066 1.00 0.80 C ATOM 21 O LYS A 95 -4.203 -8.377 4.589 1.00 1.44 O ATOM 22 CB LYS A 95 -4.699 -11.585 2.740 1.00 0.84 C ATOM 23 CG LYS A 95 -3.802 -11.437 1.489 1.00 0.85 C ATOM 24 CD LYS A 95 -2.658 -12.463 1.488 1.00 0.79 C ATOM 25 CE LYS A 95 -1.485 -12.034 0.589 1.00 0.93 C ATOM 26 NZ LYS A 95 -0.167 -12.471 1.132 1.00 1.92 N ATOM 0 H LYS A 95 -5.336 -8.445 2.499 1.00 0.88 H new ATOM 0 HA LYS A 95 -5.821 -10.580 4.180 1.00 0.81 H new ATOM 0 HB2 LYS A 95 -4.168 -12.185 3.479 1.00 0.84 H new ATOM 0 HB3 LYS A 95 -5.594 -12.141 2.462 1.00 0.84 H new ATOM 0 HG2 LYS A 95 -4.406 -11.564 0.591 1.00 0.85 H new ATOM 0 HG3 LYS A 95 -3.388 -10.429 1.455 1.00 0.85 H new ATOM 0 HD2 LYS A 95 -2.298 -12.603 2.507 1.00 0.79 H new ATOM 0 HD3 LYS A 95 -3.038 -13.427 1.149 1.00 0.79 H new ATOM 0 HE2 LYS A 95 -1.622 -12.453 -0.408 1.00 0.93 H new ATOM 0 HE3 LYS A 95 -1.490 -10.949 0.482 1.00 0.93 H new ATOM 0 HZ1 LYS A 95 0.551 -12.424 0.381 1.00 1.92 H new ATOM 0 HZ2 LYS A 95 0.110 -11.846 1.916 1.00 1.92 H new ATOM 0 HZ3 LYS A 95 -0.241 -13.449 1.479 1.00 1.92 H new ATOM 40 N ASP A 96 -2.821 -10.022 3.963 1.00 0.82 N ATOM 41 CA ASP A 96 -1.581 -9.473 4.424 1.00 0.80 C ATOM 42 C ASP A 96 -0.559 -9.585 3.269 1.00 0.80 C ATOM 43 O ASP A 96 0.147 -10.588 3.136 1.00 0.97 O ATOM 44 CB ASP A 96 -1.325 -10.308 5.657 1.00 0.98 C ATOM 45 CG ASP A 96 -0.063 -9.860 6.384 1.00 1.41 C ATOM 46 OD1 ASP A 96 0.025 -8.632 6.622 1.00 2.54 O ATOM 47 OD2 ASP A 96 0.769 -10.738 6.694 1.00 1.89 O ATOM 0 H ASP A 96 -2.696 -10.933 3.522 1.00 0.82 H new ATOM 0 HA ASP A 96 -1.544 -8.416 4.689 1.00 0.80 H new ATOM 0 HB2 ASP A 96 -2.179 -10.235 6.330 1.00 0.98 H new ATOM 0 HB3 ASP A 96 -1.230 -11.356 5.374 1.00 0.98 H new ATOM 52 N PRO A 97 -0.664 -8.657 2.295 1.00 0.67 N ATOM 53 CA PRO A 97 0.052 -8.639 1.017 1.00 0.71 C ATOM 54 C PRO A 97 1.459 -8.039 1.123 1.00 0.66 C ATOM 55 O PRO A 97 2.437 -8.771 1.219 1.00 1.23 O ATOM 56 CB PRO A 97 -0.855 -7.826 0.079 1.00 0.72 C ATOM 57 CG PRO A 97 -1.590 -6.879 1.036 1.00 0.62 C ATOM 58 CD PRO A 97 -1.820 -7.778 2.215 1.00 0.66 C ATOM 0 HA PRO A 97 0.231 -9.649 0.648 1.00 0.71 H new ATOM 0 HB2 PRO A 97 -0.277 -7.278 -0.665 1.00 0.72 H new ATOM 0 HB3 PRO A 97 -1.549 -8.467 -0.465 1.00 0.72 H new ATOM 0 HG2 PRO A 97 -0.989 -6.007 1.294 1.00 0.62 H new ATOM 0 HG3 PRO A 97 -2.524 -6.509 0.612 1.00 0.62 H new ATOM 0 HD2 PRO A 97 -1.930 -7.197 3.131 1.00 0.66 H new ATOM 0 HD3 PRO A 97 -2.737 -8.354 2.091 1.00 0.66 H new ATOM 66 N ILE A 98 1.549 -6.710 1.053 1.00 0.54 N ATOM 67 CA ILE A 98 2.722 -5.881 1.288 1.00 0.55 C ATOM 68 C ILE A 98 2.552 -5.280 2.671 1.00 0.52 C ATOM 69 O ILE A 98 1.441 -4.974 3.099 1.00 0.46 O ATOM 70 CB ILE A 98 2.856 -4.762 0.237 1.00 0.64 C ATOM 71 CG1 ILE A 98 2.502 -5.206 -1.200 1.00 0.71 C ATOM 72 CG2 ILE A 98 4.214 -4.053 0.433 1.00 0.67 C ATOM 73 CD1 ILE A 98 3.372 -4.659 -2.324 1.00 0.71 C ATOM 0 H ILE A 98 0.735 -6.145 0.811 1.00 0.54 H new ATOM 0 HA ILE A 98 3.628 -6.483 1.214 1.00 0.55 H new ATOM 0 HB ILE A 98 2.088 -4.006 0.402 1.00 0.64 H new ATOM 0 HG12 ILE A 98 2.543 -6.295 -1.238 1.00 0.71 H new ATOM 0 HG13 ILE A 98 1.470 -4.918 -1.399 1.00 0.71 H new ATOM 0 HG21 ILE A 98 4.320 -3.259 -0.306 1.00 0.67 H new ATOM 0 HG22 ILE A 98 4.260 -3.625 1.435 1.00 0.67 H new ATOM 0 HG23 ILE A 98 5.022 -4.774 0.309 1.00 0.67 H new ATOM 0 HD11 ILE A 98 3.018 -5.047 -3.279 1.00 0.71 H new ATOM 0 HD12 ILE A 98 3.316 -3.570 -2.331 1.00 0.71 H new ATOM 0 HD13 ILE A 98 4.405 -4.968 -2.167 1.00 0.71 H new ATOM 85 N ILE A 99 3.664 -5.073 3.351 1.00 0.58 N ATOM 86 CA ILE A 99 3.673 -4.605 4.738 1.00 0.58 C ATOM 87 C ILE A 99 4.087 -3.147 4.823 1.00 0.63 C ATOM 88 O ILE A 99 5.077 -2.748 4.220 1.00 0.72 O ATOM 89 CB ILE A 99 4.590 -5.491 5.603 1.00 0.65 C ATOM 90 CG1 ILE A 99 4.135 -6.963 5.594 1.00 0.79 C ATOM 91 CG2 ILE A 99 4.672 -4.965 7.047 1.00 0.63 C ATOM 92 CD1 ILE A 99 2.907 -7.271 6.458 1.00 0.85 C ATOM 0 H ILE A 99 4.595 -5.223 2.961 1.00 0.58 H new ATOM 0 HA ILE A 99 2.658 -4.682 5.127 1.00 0.58 H new ATOM 0 HB ILE A 99 5.586 -5.445 5.162 1.00 0.65 H new ATOM 0 HG12 ILE A 99 3.918 -7.254 4.566 1.00 0.79 H new ATOM 0 HG13 ILE A 99 4.963 -7.585 5.933 1.00 0.79 H new ATOM 0 HG21 ILE A 99 5.326 -5.611 7.633 1.00 0.63 H new ATOM 0 HG22 ILE A 99 5.072 -3.951 7.043 1.00 0.63 H new ATOM 0 HG23 ILE A 99 3.676 -4.960 7.490 1.00 0.63 H new ATOM 0 HD11 ILE A 99 2.667 -8.332 6.384 1.00 0.85 H new ATOM 0 HD12 ILE A 99 3.120 -7.019 7.497 1.00 0.85 H new ATOM 0 HD13 ILE A 99 2.059 -6.682 6.108 1.00 0.85 H new ATOM 104 N ILE A 100 3.369 -2.381 5.638 1.00 0.59 N ATOM 105 CA ILE A 100 3.695 -1.017 6.050 1.00 0.59 C ATOM 106 C ILE A 100 3.850 -1.019 7.563 1.00 0.61 C ATOM 107 O ILE A 100 2.864 -1.018 8.298 1.00 0.59 O ATOM 108 CB ILE A 100 2.590 -0.057 5.571 1.00 0.52 C ATOM 109 CG1 ILE A 100 2.464 -0.125 4.025 1.00 0.55 C ATOM 110 CG2 ILE A 100 2.838 1.386 6.050 1.00 0.55 C ATOM 111 CD1 ILE A 100 3.756 0.239 3.276 1.00 0.64 C ATOM 0 H ILE A 100 2.497 -2.711 6.052 1.00 0.59 H new ATOM 0 HA ILE A 100 4.627 -0.671 5.603 1.00 0.59 H new ATOM 0 HB ILE A 100 1.646 -0.376 6.013 1.00 0.52 H new ATOM 0 HG12 ILE A 100 2.162 -1.133 3.739 1.00 0.55 H new ATOM 0 HG13 ILE A 100 1.669 0.549 3.706 1.00 0.55 H new ATOM 0 HG21 ILE A 100 2.036 2.031 5.691 1.00 0.55 H new ATOM 0 HG22 ILE A 100 2.862 1.409 7.140 1.00 0.55 H new ATOM 0 HG23 ILE A 100 3.792 1.740 5.659 1.00 0.55 H new ATOM 0 HD11 ILE A 100 3.586 0.168 2.202 1.00 0.64 H new ATOM 0 HD12 ILE A 100 4.049 1.258 3.530 1.00 0.64 H new ATOM 0 HD13 ILE A 100 4.550 -0.450 3.564 1.00 0.64 H new ATOM 123 N GLU A 101 5.111 -1.074 7.977 1.00 0.87 N ATOM 124 CA GLU A 101 5.546 -1.120 9.371 1.00 1.03 C ATOM 125 C GLU A 101 5.281 0.238 10.019 1.00 1.11 C ATOM 126 O GLU A 101 5.670 1.284 9.496 1.00 1.32 O ATOM 127 CB GLU A 101 7.017 -1.577 9.437 1.00 1.36 C ATOM 128 CG GLU A 101 7.289 -2.515 10.615 1.00 1.07 C ATOM 129 CD GLU A 101 8.529 -3.371 10.362 1.00 1.81 C ATOM 130 OE1 GLU A 101 9.631 -2.788 10.267 1.00 2.43 O ATOM 131 OE2 GLU A 101 8.328 -4.597 10.205 1.00 3.00 O ATOM 0 H GLU A 101 5.893 -1.088 7.323 1.00 0.87 H new ATOM 0 HA GLU A 101 4.978 -1.853 9.944 1.00 1.03 H new ATOM 0 HB2 GLU A 101 7.279 -2.082 8.507 1.00 1.36 H new ATOM 0 HB3 GLU A 101 7.662 -0.702 9.517 1.00 1.36 H new ATOM 0 HG2 GLU A 101 7.426 -1.931 11.525 1.00 1.07 H new ATOM 0 HG3 GLU A 101 6.425 -3.160 10.777 1.00 1.07 H new ATOM 138 N SER A 102 4.510 0.258 11.105 1.00 1.05 N ATOM 139 CA SER A 102 3.932 1.498 11.628 1.00 1.17 C ATOM 140 C SER A 102 3.464 1.365 13.072 1.00 1.27 C ATOM 141 O SER A 102 2.614 0.537 13.358 1.00 2.63 O ATOM 142 CB SER A 102 2.742 1.889 10.746 1.00 1.54 C ATOM 143 OG SER A 102 3.214 2.524 9.572 1.00 3.48 O ATOM 0 H SER A 102 4.269 -0.574 11.643 1.00 1.05 H new ATOM 0 HA SER A 102 4.709 2.263 11.611 1.00 1.17 H new ATOM 0 HB2 SER A 102 2.162 1.004 10.485 1.00 1.54 H new ATOM 0 HB3 SER A 102 2.076 2.557 11.291 1.00 1.54 H new ATOM 0 HG SER A 102 4.155 2.290 9.429 1.00 3.48 H new ATOM 149 N TYR A 103 3.970 2.218 13.972 1.00 1.14 N ATOM 150 CA TYR A 103 3.628 2.209 15.406 1.00 1.01 C ATOM 151 C TYR A 103 2.318 2.976 15.730 1.00 1.08 C ATOM 152 O TYR A 103 2.152 3.485 16.837 1.00 1.24 O ATOM 153 CB TYR A 103 4.839 2.744 16.202 1.00 0.97 C ATOM 154 CG TYR A 103 6.069 1.853 16.327 1.00 1.00 C ATOM 155 CD1 TYR A 103 6.240 0.673 15.572 1.00 1.87 C ATOM 156 CD2 TYR A 103 7.058 2.216 17.261 1.00 2.16 C ATOM 157 CE1 TYR A 103 7.387 -0.123 15.736 1.00 2.03 C ATOM 158 CE2 TYR A 103 8.195 1.409 17.457 1.00 2.53 C ATOM 159 CZ TYR A 103 8.364 0.235 16.689 1.00 1.83 C ATOM 160 OH TYR A 103 9.464 -0.547 16.865 1.00 2.41 O ATOM 0 H TYR A 103 4.639 2.946 13.723 1.00 1.14 H new ATOM 0 HA TYR A 103 3.419 1.183 15.708 1.00 1.01 H new ATOM 0 HB2 TYR A 103 5.152 3.681 15.742 1.00 0.97 H new ATOM 0 HB3 TYR A 103 4.497 2.982 17.209 1.00 0.97 H new ATOM 0 HD1 TYR A 103 5.482 0.379 14.861 1.00 1.87 H new ATOM 0 HD2 TYR A 103 6.943 3.124 17.834 1.00 2.16 H new ATOM 0 HE1 TYR A 103 7.520 -1.009 15.132 1.00 2.03 H new ATOM 0 HE2 TYR A 103 8.936 1.686 18.192 1.00 2.53 H new ATOM 0 HH TYR A 103 10.036 -0.156 17.558 1.00 2.41 H new ATOM 170 N ASP A 104 1.414 3.079 14.753 1.00 1.14 N ATOM 171 CA ASP A 104 0.131 3.784 14.816 1.00 1.17 C ATOM 172 C ASP A 104 -0.916 2.938 14.055 1.00 1.31 C ATOM 173 O ASP A 104 -0.707 2.650 12.875 1.00 2.42 O ATOM 174 CB ASP A 104 0.248 5.182 14.160 1.00 1.25 C ATOM 175 CG ASP A 104 1.380 6.098 14.665 1.00 1.54 C ATOM 176 OD1 ASP A 104 1.143 6.852 15.633 1.00 1.89 O ATOM 177 OD2 ASP A 104 2.440 6.167 13.989 1.00 2.67 O ATOM 0 H ASP A 104 1.567 2.647 13.842 1.00 1.14 H new ATOM 0 HA ASP A 104 -0.166 3.920 15.856 1.00 1.17 H new ATOM 0 HB2 ASP A 104 0.378 5.043 13.087 1.00 1.25 H new ATOM 0 HB3 ASP A 104 -0.699 5.703 14.302 1.00 1.25 H new ATOM 182 N ASP A 105 -2.039 2.571 14.689 1.00 0.78 N ATOM 183 CA ASP A 105 -3.066 1.605 14.231 1.00 0.63 C ATOM 184 C ASP A 105 -3.837 1.944 12.926 1.00 0.67 C ATOM 185 O ASP A 105 -4.791 1.258 12.555 1.00 1.09 O ATOM 186 CB ASP A 105 -4.062 1.406 15.388 1.00 0.73 C ATOM 187 CG ASP A 105 -3.398 0.820 16.637 1.00 1.96 C ATOM 188 OD1 ASP A 105 -2.808 1.620 17.399 1.00 3.38 O ATOM 189 OD2 ASP A 105 -3.514 -0.414 16.811 1.00 2.55 O ATOM 0 H ASP A 105 -2.277 2.965 15.599 1.00 0.78 H new ATOM 0 HA ASP A 105 -2.517 0.702 13.963 1.00 0.63 H new ATOM 0 HB2 ASP A 105 -4.519 2.363 15.638 1.00 0.73 H new ATOM 0 HB3 ASP A 105 -4.865 0.744 15.063 1.00 0.73 H new ATOM 194 N TYR A 106 -3.427 2.988 12.209 1.00 0.75 N ATOM 195 CA TYR A 106 -4.148 3.676 11.121 1.00 0.89 C ATOM 196 C TYR A 106 -3.218 4.576 10.272 1.00 1.00 C ATOM 197 O TYR A 106 -3.645 5.555 9.643 1.00 1.77 O ATOM 198 CB TYR A 106 -5.375 4.414 11.704 1.00 1.06 C ATOM 199 CG TYR A 106 -5.212 4.975 13.110 1.00 0.89 C ATOM 200 CD1 TYR A 106 -4.117 5.803 13.438 1.00 1.81 C ATOM 201 CD2 TYR A 106 -6.131 4.607 14.112 1.00 2.24 C ATOM 202 CE1 TYR A 106 -3.926 6.234 14.765 1.00 2.01 C ATOM 203 CE2 TYR A 106 -5.958 5.053 15.435 1.00 2.21 C ATOM 204 CZ TYR A 106 -4.851 5.863 15.768 1.00 1.20 C ATOM 205 OH TYR A 106 -4.683 6.275 17.053 1.00 1.59 O ATOM 0 H TYR A 106 -2.515 3.413 12.380 1.00 0.75 H new ATOM 0 HA TYR A 106 -4.518 2.935 10.413 1.00 0.89 H new ATOM 0 HB2 TYR A 106 -5.632 5.235 11.034 1.00 1.06 H new ATOM 0 HB3 TYR A 106 -6.221 3.726 11.705 1.00 1.06 H new ATOM 0 HD1 TYR A 106 -3.423 6.107 12.668 1.00 1.81 H new ATOM 0 HD2 TYR A 106 -6.973 3.979 13.863 1.00 2.24 H new ATOM 0 HE1 TYR A 106 -3.074 6.848 15.016 1.00 2.01 H new ATOM 0 HE2 TYR A 106 -6.672 4.776 16.196 1.00 2.21 H new ATOM 0 HH TYR A 106 -5.413 5.927 17.606 1.00 1.59 H new ATOM 215 N ARG A 107 -1.915 4.278 10.289 1.00 0.73 N ATOM 216 CA ARG A 107 -0.870 5.082 9.645 1.00 0.75 C ATOM 217 C ARG A 107 -0.955 5.077 8.114 1.00 0.82 C ATOM 218 O ARG A 107 -1.375 4.109 7.480 1.00 1.34 O ATOM 219 CB ARG A 107 0.520 4.621 10.109 1.00 0.85 C ATOM 220 CG ARG A 107 1.471 5.814 10.278 1.00 1.22 C ATOM 221 CD ARG A 107 2.823 5.379 10.850 1.00 1.64 C ATOM 222 NE ARG A 107 3.498 6.505 11.499 1.00 2.19 N ATOM 223 CZ ARG A 107 4.281 7.421 10.955 1.00 3.02 C ATOM 224 NH1 ARG A 107 4.656 7.349 9.693 1.00 3.82 N ATOM 225 NH2 ARG A 107 4.688 8.424 11.700 1.00 3.96 N ATOM 0 H ARG A 107 -1.548 3.452 10.762 1.00 0.73 H new ATOM 0 HA ARG A 107 -1.036 6.113 9.957 1.00 0.75 H new ATOM 0 HB2 ARG A 107 0.432 4.086 11.054 1.00 0.85 H new ATOM 0 HB3 ARG A 107 0.935 3.921 9.384 1.00 0.85 H new ATOM 0 HG2 ARG A 107 1.622 6.299 9.314 1.00 1.22 H new ATOM 0 HG3 ARG A 107 1.016 6.552 10.938 1.00 1.22 H new ATOM 0 HD2 ARG A 107 2.677 4.573 11.569 1.00 1.64 H new ATOM 0 HD3 ARG A 107 3.451 4.984 10.052 1.00 1.64 H new ATOM 0 HE ARG A 107 3.344 6.594 12.503 1.00 2.19 H new ATOM 0 HH11 ARG A 107 4.341 6.573 9.111 1.00 3.82 H new ATOM 0 HH12 ARG A 107 5.261 8.070 9.299 1.00 3.82 H new ATOM 0 HH21 ARG A 107 4.399 8.484 12.676 1.00 3.96 H new ATOM 0 HH22 ARG A 107 5.293 9.143 11.302 1.00 3.96 H new ATOM 239 N TYR A 108 -0.510 6.182 7.504 1.00 0.56 N ATOM 240 CA TYR A 108 -0.455 6.325 6.047 1.00 0.48 C ATOM 241 C TYR A 108 0.810 5.696 5.430 1.00 0.47 C ATOM 242 O TYR A 108 1.872 5.687 6.049 1.00 0.61 O ATOM 243 CB TYR A 108 -0.637 7.801 5.622 1.00 0.58 C ATOM 244 CG TYR A 108 0.645 8.519 5.248 1.00 0.62 C ATOM 245 CD1 TYR A 108 1.418 9.147 6.241 1.00 1.68 C ATOM 246 CD2 TYR A 108 1.102 8.485 3.912 1.00 1.94 C ATOM 247 CE1 TYR A 108 2.661 9.717 5.910 1.00 1.58 C ATOM 248 CE2 TYR A 108 2.365 9.013 3.589 1.00 2.19 C ATOM 249 CZ TYR A 108 3.146 9.639 4.587 1.00 1.04 C ATOM 250 OH TYR A 108 4.363 10.166 4.280 1.00 1.32 O ATOM 0 H TYR A 108 -0.177 7.003 8.009 1.00 0.56 H new ATOM 0 HA TYR A 108 -1.295 5.759 5.644 1.00 0.48 H new ATOM 0 HB2 TYR A 108 -1.319 7.838 4.772 1.00 0.58 H new ATOM 0 HB3 TYR A 108 -1.115 8.343 6.438 1.00 0.58 H new ATOM 0 HD1 TYR A 108 1.057 9.192 7.258 1.00 1.68 H new ATOM 0 HD2 TYR A 108 0.482 8.054 3.139 1.00 1.94 H new ATOM 0 HE1 TYR A 108 3.245 10.215 6.670 1.00 1.58 H new ATOM 0 HE2 TYR A 108 2.738 8.940 2.578 1.00 2.19 H new ATOM 0 HH TYR A 108 4.549 10.028 3.328 1.00 1.32 H new ATOM 260 N VAL A 109 0.687 5.244 4.186 1.00 0.43 N ATOM 261 CA VAL A 109 1.794 4.811 3.322 1.00 0.46 C ATOM 262 C VAL A 109 2.047 5.816 2.208 1.00 0.44 C ATOM 263 O VAL A 109 1.108 6.276 1.568 1.00 0.45 O ATOM 264 CB VAL A 109 1.524 3.433 2.690 1.00 0.57 C ATOM 265 CG1 VAL A 109 0.200 3.331 1.945 1.00 0.65 C ATOM 266 CG2 VAL A 109 2.634 3.019 1.722 1.00 0.81 C ATOM 0 H VAL A 109 -0.221 5.164 3.728 1.00 0.43 H new ATOM 0 HA VAL A 109 2.674 4.741 3.962 1.00 0.46 H new ATOM 0 HB VAL A 109 1.486 2.761 3.548 1.00 0.57 H new ATOM 0 HG11 VAL A 109 0.091 2.328 1.532 1.00 0.65 H new ATOM 0 HG12 VAL A 109 -0.621 3.531 2.633 1.00 0.65 H new ATOM 0 HG13 VAL A 109 0.181 4.061 1.136 1.00 0.65 H new ATOM 0 HG21 VAL A 109 2.402 2.041 1.300 1.00 0.81 H new ATOM 0 HG22 VAL A 109 2.709 3.752 0.919 1.00 0.81 H new ATOM 0 HG23 VAL A 109 3.583 2.968 2.257 1.00 0.81 H new ATOM 276 N GLY A 110 3.323 6.066 1.935 1.00 0.50 N ATOM 277 CA GLY A 110 3.802 6.625 0.674 1.00 0.52 C ATOM 278 C GLY A 110 4.539 5.547 -0.113 1.00 0.48 C ATOM 279 O GLY A 110 5.688 5.259 0.212 1.00 0.70 O ATOM 0 H GLY A 110 4.073 5.881 2.601 1.00 0.50 H new ATOM 0 HA2 GLY A 110 2.964 7.006 0.091 1.00 0.52 H new ATOM 0 HA3 GLY A 110 4.466 7.468 0.866 1.00 0.52 H new ATOM 283 N CYS A 111 3.898 4.983 -1.139 1.00 0.38 N ATOM 284 CA CYS A 111 4.547 4.156 -2.149 1.00 0.45 C ATOM 285 C CYS A 111 4.835 4.980 -3.420 1.00 0.50 C ATOM 286 O CYS A 111 4.141 5.968 -3.710 1.00 0.62 O ATOM 287 CB CYS A 111 3.644 2.937 -2.406 1.00 0.54 C ATOM 288 SG CYS A 111 3.472 2.394 -4.153 1.00 1.24 S ATOM 0 H CYS A 111 2.895 5.092 -1.291 1.00 0.38 H new ATOM 0 HA CYS A 111 5.519 3.800 -1.806 1.00 0.45 H new ATOM 0 HB2 CYS A 111 4.029 2.099 -1.825 1.00 0.54 H new ATOM 0 HB3 CYS A 111 2.650 3.162 -2.020 1.00 0.54 H new ATOM 293 N THR A 112 5.833 4.532 -4.196 1.00 0.50 N ATOM 294 CA THR A 112 6.131 5.098 -5.519 1.00 0.52 C ATOM 295 C THR A 112 6.004 4.154 -6.704 1.00 0.52 C ATOM 296 O THR A 112 6.271 4.555 -7.838 1.00 0.75 O ATOM 297 CB THR A 112 7.457 5.848 -5.553 1.00 0.61 C ATOM 298 OG1 THR A 112 8.493 5.018 -5.087 1.00 0.68 O ATOM 299 CG2 THR A 112 7.368 7.101 -4.691 1.00 0.64 C ATOM 0 H THR A 112 6.454 3.770 -3.925 1.00 0.50 H new ATOM 0 HA THR A 112 5.319 5.812 -5.656 1.00 0.52 H new ATOM 0 HB THR A 112 7.672 6.138 -6.581 1.00 0.61 H new ATOM 0 HG1 THR A 112 8.746 4.385 -5.791 1.00 0.68 H new ATOM 0 HG21 THR A 112 8.320 7.631 -4.721 1.00 0.64 H new ATOM 0 HG22 THR A 112 6.579 7.750 -5.072 1.00 0.64 H new ATOM 0 HG23 THR A 112 7.141 6.820 -3.663 1.00 0.64 H new ATOM 307 N GLY A 113 5.541 2.928 -6.477 1.00 0.62 N ATOM 308 CA GLY A 113 5.345 1.932 -7.525 1.00 0.67 C ATOM 309 C GLY A 113 6.204 0.703 -7.340 1.00 0.96 C ATOM 310 O GLY A 113 6.976 0.365 -8.235 1.00 2.08 O ATOM 0 H GLY A 113 5.288 2.594 -5.547 1.00 0.62 H new ATOM 0 HA2 GLY A 113 4.296 1.636 -7.545 1.00 0.67 H new ATOM 0 HA3 GLY A 113 5.568 2.382 -8.492 1.00 0.67 H new ATOM 314 N SER A 114 6.076 0.060 -6.177 1.00 1.11 N ATOM 315 CA SER A 114 6.972 -1.001 -5.682 1.00 1.48 C ATOM 316 C SER A 114 8.264 -0.349 -5.087 1.00 1.49 C ATOM 317 O SER A 114 8.185 0.841 -4.764 1.00 1.78 O ATOM 318 CB SER A 114 7.129 -2.045 -6.804 1.00 1.97 C ATOM 319 OG SER A 114 7.273 -3.359 -6.301 1.00 3.24 O ATOM 0 H SER A 114 5.319 0.268 -5.526 1.00 1.11 H new ATOM 0 HA SER A 114 6.577 -1.567 -4.838 1.00 1.48 H new ATOM 0 HB2 SER A 114 6.259 -2.003 -7.460 1.00 1.97 H new ATOM 0 HB3 SER A 114 7.999 -1.794 -7.411 1.00 1.97 H new ATOM 0 HG SER A 114 7.368 -3.987 -7.048 1.00 3.24 H new ATOM 325 N PRO A 115 9.428 -1.012 -4.864 1.00 1.56 N ATOM 326 CA PRO A 115 10.570 -0.397 -4.166 1.00 1.77 C ATOM 327 C PRO A 115 11.410 0.512 -5.078 1.00 1.67 C ATOM 328 O PRO A 115 12.636 0.429 -5.122 1.00 2.09 O ATOM 329 CB PRO A 115 11.374 -1.568 -3.604 1.00 2.20 C ATOM 330 CG PRO A 115 11.176 -2.649 -4.657 1.00 2.22 C ATOM 331 CD PRO A 115 9.739 -2.415 -5.112 1.00 1.91 C ATOM 0 HA PRO A 115 10.234 0.274 -3.375 1.00 1.77 H new ATOM 0 HB2 PRO A 115 12.426 -1.313 -3.479 1.00 2.20 H new ATOM 0 HB3 PRO A 115 11.004 -1.881 -2.628 1.00 2.20 H new ATOM 0 HG2 PRO A 115 11.883 -2.547 -5.480 1.00 2.22 H new ATOM 0 HG3 PRO A 115 11.312 -3.648 -4.242 1.00 2.22 H new ATOM 0 HD2 PRO A 115 9.628 -2.652 -6.170 1.00 1.91 H new ATOM 0 HD3 PRO A 115 9.053 -3.063 -4.566 1.00 1.91 H new ATOM 339 N ALA A 116 10.740 1.362 -5.850 1.00 1.84 N ATOM 340 CA ALA A 116 11.322 2.148 -6.929 1.00 2.08 C ATOM 341 C ALA A 116 10.354 3.252 -7.383 1.00 2.21 C ATOM 342 O ALA A 116 9.159 3.214 -7.080 1.00 3.93 O ATOM 343 CB ALA A 116 11.716 1.190 -8.065 1.00 2.23 C ATOM 0 H ALA A 116 9.740 1.527 -5.736 1.00 1.84 H new ATOM 0 HA ALA A 116 12.220 2.664 -6.588 1.00 2.08 H new ATOM 0 HB1 ALA A 116 12.155 1.759 -8.885 1.00 2.23 H new ATOM 0 HB2 ALA A 116 12.443 0.467 -7.695 1.00 2.23 H new ATOM 0 HB3 ALA A 116 10.830 0.664 -8.421 1.00 2.23 H new ATOM 349 N GLY A 117 10.863 4.247 -8.116 1.00 1.57 N ATOM 350 CA GLY A 117 10.117 5.451 -8.520 1.00 1.58 C ATOM 351 C GLY A 117 9.195 5.239 -9.723 1.00 1.56 C ATOM 352 O GLY A 117 9.190 6.067 -10.628 1.00 2.28 O ATOM 0 H GLY A 117 11.825 4.241 -8.454 1.00 1.57 H new ATOM 0 HA2 GLY A 117 9.521 5.797 -7.675 1.00 1.58 H new ATOM 0 HA3 GLY A 117 10.827 6.244 -8.755 1.00 1.58 H new ATOM 356 N SER A 118 8.469 4.123 -9.783 1.00 1.03 N ATOM 357 CA SER A 118 7.885 3.613 -11.029 1.00 1.03 C ATOM 358 C SER A 118 6.751 4.477 -11.585 1.00 0.87 C ATOM 359 O SER A 118 6.702 4.697 -12.795 1.00 1.05 O ATOM 360 CB SER A 118 7.397 2.175 -10.841 1.00 1.10 C ATOM 361 OG SER A 118 8.413 1.341 -10.311 1.00 1.99 O ATOM 0 H SER A 118 8.267 3.544 -8.968 1.00 1.03 H new ATOM 0 HA SER A 118 8.687 3.646 -11.766 1.00 1.03 H new ATOM 0 HB2 SER A 118 6.535 2.168 -10.174 1.00 1.10 H new ATOM 0 HB3 SER A 118 7.062 1.776 -11.799 1.00 1.10 H new ATOM 0 HG SER A 118 8.036 0.774 -9.606 1.00 1.99 H new ATOM 367 N HIS A 119 5.861 4.999 -10.733 1.00 0.65 N ATOM 368 CA HIS A 119 4.828 5.945 -11.178 1.00 0.62 C ATOM 369 C HIS A 119 5.112 7.401 -10.741 1.00 0.75 C ATOM 370 O HIS A 119 5.510 8.218 -11.576 1.00 1.90 O ATOM 371 CB HIS A 119 3.431 5.400 -10.850 1.00 0.56 C ATOM 372 CG HIS A 119 3.142 5.132 -9.403 1.00 0.47 C ATOM 373 ND1 HIS A 119 2.748 6.084 -8.539 1.00 0.51 N ATOM 374 CD2 HIS A 119 3.083 3.918 -8.785 1.00 0.48 C ATOM 375 CE1 HIS A 119 2.516 5.542 -7.359 1.00 0.46 C ATOM 376 NE2 HIS A 119 2.644 4.205 -7.475 1.00 0.45 N ATOM 0 H HIS A 119 5.834 4.785 -9.736 1.00 0.65 H new ATOM 0 HA HIS A 119 4.860 6.023 -12.265 1.00 0.62 H new ATOM 0 HB2 HIS A 119 2.692 6.110 -11.220 1.00 0.56 H new ATOM 0 HB3 HIS A 119 3.287 4.473 -11.404 1.00 0.56 H new ATOM 0 HD1 HIS A 119 2.644 7.074 -8.762 1.00 0.51 H new ATOM 0 HD2 HIS A 119 3.320 2.952 -9.205 1.00 0.48 H new ATOM 0 HE1 HIS A 119 2.266 6.078 -6.455 1.00 0.46 H new ATOM 384 N THR A 120 4.937 7.701 -9.452 1.00 0.97 N ATOM 385 CA THR A 120 5.019 8.967 -8.700 1.00 0.83 C ATOM 386 C THR A 120 4.733 8.627 -7.242 1.00 0.67 C ATOM 387 O THR A 120 4.708 7.459 -6.903 1.00 0.77 O ATOM 388 CB THR A 120 4.092 10.050 -9.256 1.00 0.88 C ATOM 389 OG1 THR A 120 4.462 11.291 -8.709 1.00 0.90 O ATOM 390 CG2 THR A 120 2.620 9.821 -8.956 1.00 0.81 C ATOM 0 H THR A 120 4.697 6.946 -8.810 1.00 0.97 H new ATOM 0 HA THR A 120 6.013 9.404 -8.797 1.00 0.83 H new ATOM 0 HB THR A 120 4.206 10.022 -10.340 1.00 0.88 H new ATOM 0 HG1 THR A 120 3.874 11.992 -9.061 1.00 0.90 H new ATOM 0 HG21 THR A 120 2.031 10.632 -9.384 1.00 0.81 H new ATOM 0 HG22 THR A 120 2.303 8.873 -9.392 1.00 0.81 H new ATOM 0 HG23 THR A 120 2.469 9.793 -7.877 1.00 0.81 H new ATOM 398 N ILE A 121 4.469 9.593 -6.384 1.00 0.70 N ATOM 399 CA ILE A 121 4.040 9.351 -5.007 1.00 0.67 C ATOM 400 C ILE A 121 2.515 9.481 -4.882 1.00 0.60 C ATOM 401 O ILE A 121 1.910 10.412 -5.408 1.00 0.69 O ATOM 402 CB ILE A 121 4.815 10.291 -4.064 1.00 0.81 C ATOM 403 CG1 ILE A 121 4.550 9.958 -2.587 1.00 0.81 C ATOM 404 CG2 ILE A 121 4.474 11.759 -4.321 1.00 0.89 C ATOM 405 CD1 ILE A 121 5.529 8.930 -2.034 1.00 0.88 C ATOM 0 H ILE A 121 4.545 10.582 -6.620 1.00 0.70 H new ATOM 0 HA ILE A 121 4.274 8.328 -4.712 1.00 0.67 H new ATOM 0 HB ILE A 121 5.872 10.134 -4.277 1.00 0.81 H new ATOM 0 HG12 ILE A 121 4.615 10.871 -1.995 1.00 0.81 H new ATOM 0 HG13 ILE A 121 3.533 9.580 -2.480 1.00 0.81 H new ATOM 0 HG21 ILE A 121 5.041 12.390 -3.636 1.00 0.89 H new ATOM 0 HG22 ILE A 121 4.730 12.018 -5.348 1.00 0.89 H new ATOM 0 HG23 ILE A 121 3.407 11.918 -4.162 1.00 0.89 H new ATOM 0 HD11 ILE A 121 5.296 8.732 -0.988 1.00 0.88 H new ATOM 0 HD12 ILE A 121 5.447 8.005 -2.605 1.00 0.88 H new ATOM 0 HD13 ILE A 121 6.545 9.316 -2.113 1.00 0.88 H new ATOM 417 N MET A 122 1.916 8.568 -4.121 1.00 0.57 N ATOM 418 CA MET A 122 0.533 8.647 -3.639 1.00 0.66 C ATOM 419 C MET A 122 0.437 8.127 -2.193 1.00 0.60 C ATOM 420 O MET A 122 1.378 7.514 -1.688 1.00 0.68 O ATOM 421 CB MET A 122 -0.435 7.992 -4.646 1.00 1.11 C ATOM 422 CG MET A 122 -0.132 6.537 -4.978 1.00 0.93 C ATOM 423 SD MET A 122 -0.615 5.398 -3.692 1.00 3.07 S ATOM 424 CE MET A 122 0.962 4.761 -3.113 1.00 4.45 C ATOM 0 H MET A 122 2.394 7.722 -3.810 1.00 0.57 H new ATOM 0 HA MET A 122 0.211 9.687 -3.585 1.00 0.66 H new ATOM 0 HB2 MET A 122 -1.447 8.055 -4.247 1.00 1.11 H new ATOM 0 HB3 MET A 122 -0.420 8.570 -5.570 1.00 1.11 H new ATOM 0 HG2 MET A 122 -0.645 6.269 -5.901 1.00 0.93 H new ATOM 0 HG3 MET A 122 0.937 6.430 -5.165 1.00 0.93 H new ATOM 0 HE1 MET A 122 0.946 4.684 -2.026 1.00 4.45 H new ATOM 0 HE2 MET A 122 1.136 3.775 -3.544 1.00 4.45 H new ATOM 0 HE3 MET A 122 1.761 5.437 -3.418 1.00 4.45 H new ATOM 434 N TRP A 123 -0.661 8.438 -1.493 1.00 0.55 N ATOM 435 CA TRP A 123 -0.671 8.488 -0.023 1.00 0.52 C ATOM 436 C TRP A 123 -1.851 7.682 0.566 1.00 0.55 C ATOM 437 O TRP A 123 -2.924 8.243 0.803 1.00 1.00 O ATOM 438 CB TRP A 123 -0.658 9.967 0.443 1.00 0.68 C ATOM 439 CG TRP A 123 0.159 10.940 -0.372 1.00 0.87 C ATOM 440 CD1 TRP A 123 -0.193 11.446 -1.578 1.00 1.57 C ATOM 441 CD2 TRP A 123 1.458 11.549 -0.067 1.00 1.05 C ATOM 442 NE1 TRP A 123 0.828 12.225 -2.080 1.00 1.72 N ATOM 443 CE2 TRP A 123 1.868 12.334 -1.186 1.00 1.15 C ATOM 444 CE3 TRP A 123 2.325 11.533 1.046 1.00 1.92 C ATOM 445 CZ2 TRP A 123 3.090 13.023 -1.220 1.00 1.28 C ATOM 446 CZ3 TRP A 123 3.556 12.217 1.026 1.00 2.31 C ATOM 447 CH2 TRP A 123 3.947 12.949 -0.109 1.00 1.76 C ATOM 0 H TRP A 123 -1.559 8.660 -1.922 1.00 0.55 H new ATOM 0 HA TRP A 123 0.230 8.008 0.360 1.00 0.52 H new ATOM 0 HB2 TRP A 123 -1.688 10.324 0.463 1.00 0.68 H new ATOM 0 HB3 TRP A 123 -0.291 9.995 1.469 1.00 0.68 H new ATOM 0 HD1 TRP A 123 -1.135 11.266 -2.074 1.00 1.57 H new ATOM 0 HE1 TRP A 123 0.814 12.666 -3.000 1.00 1.72 H new ATOM 0 HE3 TRP A 123 2.039 10.985 1.932 1.00 1.92 H new ATOM 0 HZ2 TRP A 123 3.368 13.602 -2.088 1.00 1.28 H new ATOM 0 HZ3 TRP A 123 4.204 12.179 1.889 1.00 2.31 H new ATOM 0 HH2 TRP A 123 4.902 13.452 -0.127 1.00 1.76 H new ATOM 458 N LEU A 124 -1.699 6.371 0.811 1.00 0.44 N ATOM 459 CA LEU A 124 -2.831 5.499 1.197 1.00 0.47 C ATOM 460 C LEU A 124 -2.910 5.355 2.718 1.00 0.51 C ATOM 461 O LEU A 124 -1.973 5.728 3.422 1.00 0.56 O ATOM 462 CB LEU A 124 -2.767 4.113 0.521 1.00 0.51 C ATOM 463 CG LEU A 124 -2.177 4.094 -0.899 1.00 0.57 C ATOM 464 CD1 LEU A 124 -1.798 2.671 -1.290 1.00 0.62 C ATOM 465 CD2 LEU A 124 -3.180 4.694 -1.890 1.00 0.68 C ATOM 0 H LEU A 124 -0.804 5.886 0.750 1.00 0.44 H new ATOM 0 HA LEU A 124 -3.740 5.984 0.841 1.00 0.47 H new ATOM 0 HB2 LEU A 124 -2.175 3.449 1.150 1.00 0.51 H new ATOM 0 HB3 LEU A 124 -3.775 3.701 0.482 1.00 0.51 H new ATOM 0 HG LEU A 124 -1.272 4.701 -0.922 1.00 0.57 H new ATOM 0 HD11 LEU A 124 -1.381 2.669 -2.297 1.00 0.62 H new ATOM 0 HD12 LEU A 124 -1.056 2.287 -0.590 1.00 0.62 H new ATOM 0 HD13 LEU A 124 -2.685 2.038 -1.263 1.00 0.62 H new ATOM 0 HD21 LEU A 124 -2.755 4.677 -2.893 1.00 0.68 H new ATOM 0 HD22 LEU A 124 -4.100 4.109 -1.876 1.00 0.68 H new ATOM 0 HD23 LEU A 124 -3.400 5.723 -1.607 1.00 0.68 H new ATOM 477 N LYS A 125 -4.015 4.817 3.243 1.00 0.57 N ATOM 478 CA LYS A 125 -4.252 4.693 4.691 1.00 0.60 C ATOM 479 C LYS A 125 -4.877 3.328 5.041 1.00 0.55 C ATOM 480 O LYS A 125 -6.102 3.218 5.042 1.00 0.78 O ATOM 481 CB LYS A 125 -5.145 5.854 5.193 1.00 0.88 C ATOM 482 CG LYS A 125 -4.512 7.252 5.109 1.00 2.41 C ATOM 483 CD LYS A 125 -4.859 8.010 3.813 1.00 4.01 C ATOM 484 CE LYS A 125 -3.944 9.222 3.584 1.00 6.02 C ATOM 485 NZ LYS A 125 -4.096 10.258 4.636 1.00 7.15 N ATOM 0 H LYS A 125 -4.778 4.451 2.674 1.00 0.57 H new ATOM 0 HA LYS A 125 -3.289 4.753 5.198 1.00 0.60 H new ATOM 0 HB2 LYS A 125 -6.069 5.856 4.615 1.00 0.88 H new ATOM 0 HB3 LYS A 125 -5.418 5.658 6.230 1.00 0.88 H new ATOM 0 HG2 LYS A 125 -4.841 7.842 5.964 1.00 2.41 H new ATOM 0 HG3 LYS A 125 -3.429 7.156 5.185 1.00 2.41 H new ATOM 0 HD2 LYS A 125 -4.778 7.331 2.964 1.00 4.01 H new ATOM 0 HD3 LYS A 125 -5.896 8.343 3.856 1.00 4.01 H new ATOM 0 HE2 LYS A 125 -2.907 8.889 3.554 1.00 6.02 H new ATOM 0 HE3 LYS A 125 -4.166 9.662 2.612 1.00 6.02 H new ATOM 0 HZ1 LYS A 125 -3.457 11.054 4.435 1.00 7.15 H new ATOM 0 HZ2 LYS A 125 -5.079 10.598 4.649 1.00 7.15 H new ATOM 0 HZ3 LYS A 125 -3.859 9.849 5.562 1.00 7.15 H new ATOM 499 N PRO A 126 -4.066 2.281 5.287 1.00 0.50 N ATOM 500 CA PRO A 126 -4.539 1.052 5.908 1.00 0.79 C ATOM 501 C PRO A 126 -4.710 1.248 7.421 1.00 1.10 C ATOM 502 O PRO A 126 -4.213 2.214 7.997 1.00 2.37 O ATOM 503 CB PRO A 126 -3.484 0.000 5.561 1.00 0.94 C ATOM 504 CG PRO A 126 -2.206 0.832 5.583 1.00 0.73 C ATOM 505 CD PRO A 126 -2.645 2.167 4.979 1.00 0.58 C ATOM 0 HA PRO A 126 -5.520 0.743 5.547 1.00 0.79 H new ATOM 0 HB2 PRO A 126 -3.458 -0.811 6.289 1.00 0.94 H new ATOM 0 HB3 PRO A 126 -3.662 -0.453 4.586 1.00 0.94 H new ATOM 0 HG2 PRO A 126 -1.824 0.955 6.596 1.00 0.73 H new ATOM 0 HG3 PRO A 126 -1.413 0.367 4.997 1.00 0.73 H new ATOM 0 HD2 PRO A 126 -2.082 2.996 5.407 1.00 0.58 H new ATOM 0 HD3 PRO A 126 -2.473 2.187 3.903 1.00 0.58 H new ATOM 513 N THR A 127 -5.396 0.287 8.040 1.00 0.66 N ATOM 514 CA THR A 127 -5.683 0.188 9.480 1.00 0.63 C ATOM 515 C THR A 127 -5.084 -1.106 9.997 1.00 0.46 C ATOM 516 O THR A 127 -5.000 -2.077 9.245 1.00 0.44 O ATOM 517 CB THR A 127 -7.193 0.133 9.754 1.00 0.83 C ATOM 518 OG1 THR A 127 -7.921 0.956 8.886 1.00 1.21 O ATOM 519 CG2 THR A 127 -7.593 0.524 11.170 1.00 0.87 C ATOM 0 H THR A 127 -5.793 -0.495 7.520 1.00 0.66 H new ATOM 0 HA THR A 127 -5.263 1.066 9.971 1.00 0.63 H new ATOM 0 HB THR A 127 -7.433 -0.919 9.597 1.00 0.83 H new ATOM 0 HG1 THR A 127 -8.751 0.505 8.627 1.00 1.21 H new ATOM 0 HG21 THR A 127 -8.676 0.457 11.274 1.00 0.87 H new ATOM 0 HG22 THR A 127 -7.117 -0.151 11.882 1.00 0.87 H new ATOM 0 HG23 THR A 127 -7.272 1.546 11.369 1.00 0.87 H new ATOM 527 N VAL A 128 -4.764 -1.188 11.285 1.00 0.50 N ATOM 528 CA VAL A 128 -4.212 -2.414 11.892 1.00 0.50 C ATOM 529 C VAL A 128 -5.099 -3.649 11.661 1.00 0.54 C ATOM 530 O VAL A 128 -4.596 -4.748 11.434 1.00 0.71 O ATOM 531 CB VAL A 128 -3.915 -2.246 13.394 1.00 0.62 C ATOM 532 CG1 VAL A 128 -5.191 -1.920 14.171 1.00 0.64 C ATOM 533 CG2 VAL A 128 -3.224 -3.503 13.958 1.00 0.75 C ATOM 0 H VAL A 128 -4.876 -0.416 11.942 1.00 0.50 H new ATOM 0 HA VAL A 128 -3.267 -2.585 11.377 1.00 0.50 H new ATOM 0 HB VAL A 128 -3.231 -1.406 13.513 1.00 0.62 H new ATOM 0 HG11 VAL A 128 -4.954 -1.806 15.229 1.00 0.64 H new ATOM 0 HG12 VAL A 128 -5.620 -0.992 13.793 1.00 0.64 H new ATOM 0 HG13 VAL A 128 -5.910 -2.729 14.045 1.00 0.64 H new ATOM 0 HG21 VAL A 128 -3.024 -3.362 15.020 1.00 0.75 H new ATOM 0 HG22 VAL A 128 -3.874 -4.367 13.823 1.00 0.75 H new ATOM 0 HG23 VAL A 128 -2.285 -3.670 13.430 1.00 0.75 H new ATOM 543 N ASN A 129 -6.423 -3.464 11.632 1.00 0.61 N ATOM 544 CA ASN A 129 -7.405 -4.516 11.353 1.00 0.90 C ATOM 545 C ASN A 129 -7.603 -4.789 9.849 1.00 0.92 C ATOM 546 O ASN A 129 -8.250 -5.767 9.490 1.00 1.25 O ATOM 547 CB ASN A 129 -8.728 -4.149 12.048 1.00 1.17 C ATOM 548 CG ASN A 129 -8.625 -4.312 13.559 1.00 1.35 C ATOM 549 OD1 ASN A 129 -8.521 -5.418 14.067 1.00 1.68 O ATOM 550 ND2 ASN A 129 -8.625 -3.232 14.321 1.00 1.48 N ATOM 0 H ASN A 129 -6.852 -2.555 11.806 1.00 0.61 H new ATOM 0 HA ASN A 129 -7.022 -5.454 11.755 1.00 0.90 H new ATOM 0 HB2 ASN A 129 -8.993 -3.119 11.809 1.00 1.17 H new ATOM 0 HB3 ASN A 129 -9.529 -4.781 11.666 1.00 1.17 H new ATOM 0 HD21 ASN A 129 -8.538 -3.322 15.333 1.00 1.48 H new ATOM 0 HD22 ASN A 129 -8.712 -2.308 13.897 1.00 1.48 H new ATOM 557 N GLU A 130 -7.056 -3.948 8.967 1.00 0.64 N ATOM 558 CA GLU A 130 -7.568 -3.765 7.606 1.00 0.63 C ATOM 559 C GLU A 130 -6.449 -3.628 6.568 1.00 0.41 C ATOM 560 O GLU A 130 -5.285 -3.916 6.837 1.00 0.55 O ATOM 561 CB GLU A 130 -8.480 -2.527 7.561 1.00 0.83 C ATOM 562 CG GLU A 130 -9.496 -2.500 8.699 1.00 1.06 C ATOM 563 CD GLU A 130 -10.434 -1.324 8.505 1.00 1.46 C ATOM 564 OE1 GLU A 130 -11.330 -1.446 7.651 1.00 2.55 O ATOM 565 OE2 GLU A 130 -10.175 -0.294 9.166 1.00 2.49 O ATOM 0 H GLU A 130 -6.241 -3.372 9.178 1.00 0.64 H new ATOM 0 HA GLU A 130 -8.134 -4.660 7.348 1.00 0.63 H new ATOM 0 HB2 GLU A 130 -7.866 -1.627 7.606 1.00 0.83 H new ATOM 0 HB3 GLU A 130 -9.008 -2.505 6.608 1.00 0.83 H new ATOM 0 HG2 GLU A 130 -10.062 -3.432 8.719 1.00 1.06 H new ATOM 0 HG3 GLU A 130 -8.984 -2.417 9.658 1.00 1.06 H new ATOM 572 N VAL A 131 -6.818 -3.222 5.357 1.00 0.39 N ATOM 573 CA VAL A 131 -5.987 -3.174 4.156 1.00 0.37 C ATOM 574 C VAL A 131 -6.315 -1.898 3.358 1.00 0.41 C ATOM 575 O VAL A 131 -7.421 -1.377 3.493 1.00 0.51 O ATOM 576 CB VAL A 131 -6.226 -4.414 3.274 1.00 0.37 C ATOM 577 CG1 VAL A 131 -5.666 -5.666 3.931 1.00 0.39 C ATOM 578 CG2 VAL A 131 -7.701 -4.636 2.912 1.00 0.44 C ATOM 0 H VAL A 131 -7.767 -2.896 5.175 1.00 0.39 H new ATOM 0 HA VAL A 131 -4.939 -3.163 4.457 1.00 0.37 H new ATOM 0 HB VAL A 131 -5.696 -4.217 2.342 1.00 0.37 H new ATOM 0 HG11 VAL A 131 -5.848 -6.527 3.288 1.00 0.39 H new ATOM 0 HG12 VAL A 131 -4.593 -5.548 4.084 1.00 0.39 H new ATOM 0 HG13 VAL A 131 -6.155 -5.822 4.893 1.00 0.39 H new ATOM 0 HG21 VAL A 131 -7.793 -5.526 2.290 1.00 0.44 H new ATOM 0 HG22 VAL A 131 -8.283 -4.769 3.824 1.00 0.44 H new ATOM 0 HG23 VAL A 131 -8.076 -3.771 2.365 1.00 0.44 H new ATOM 588 N ALA A 132 -5.408 -1.414 2.500 1.00 0.37 N ATOM 589 CA ALA A 132 -5.664 -0.302 1.566 1.00 0.40 C ATOM 590 C ALA A 132 -5.009 -0.569 0.199 1.00 0.37 C ATOM 591 O ALA A 132 -3.929 -1.149 0.163 1.00 0.42 O ATOM 592 CB ALA A 132 -5.143 0.998 2.191 1.00 0.48 C ATOM 0 H ALA A 132 -4.461 -1.787 2.431 1.00 0.37 H new ATOM 0 HA ALA A 132 -6.736 -0.211 1.392 1.00 0.40 H new ATOM 0 HB1 ALA A 132 -5.327 1.829 1.509 1.00 0.48 H new ATOM 0 HB2 ALA A 132 -5.659 1.181 3.133 1.00 0.48 H new ATOM 0 HB3 ALA A 132 -4.072 0.910 2.375 1.00 0.48 H new ATOM 598 N ARG A 133 -5.623 -0.153 -0.919 1.00 0.41 N ATOM 599 CA ARG A 133 -5.052 -0.341 -2.267 1.00 0.40 C ATOM 600 C ARG A 133 -4.633 0.979 -2.916 1.00 0.39 C ATOM 601 O ARG A 133 -5.388 1.952 -2.880 1.00 0.47 O ATOM 602 CB ARG A 133 -6.036 -1.077 -3.195 1.00 0.49 C ATOM 603 CG ARG A 133 -5.298 -1.745 -4.377 1.00 0.61 C ATOM 604 CD ARG A 133 -6.224 -2.182 -5.508 1.00 0.92 C ATOM 605 NE ARG A 133 -6.565 -1.011 -6.325 1.00 1.77 N ATOM 606 CZ ARG A 133 -7.748 -0.615 -6.764 1.00 2.64 C ATOM 607 NH1 ARG A 133 -8.834 -1.353 -6.649 1.00 3.27 N ATOM 608 NH2 ARG A 133 -7.847 0.569 -7.324 1.00 4.08 N ATOM 0 H ARG A 133 -6.526 0.322 -0.918 1.00 0.41 H new ATOM 0 HA ARG A 133 -4.158 -0.950 -2.132 1.00 0.40 H new ATOM 0 HB2 ARG A 133 -6.578 -1.833 -2.628 1.00 0.49 H new ATOM 0 HB3 ARG A 133 -6.776 -0.373 -3.576 1.00 0.49 H new ATOM 0 HG2 ARG A 133 -4.559 -1.049 -4.773 1.00 0.61 H new ATOM 0 HG3 ARG A 133 -4.753 -2.614 -4.009 1.00 0.61 H new ATOM 0 HD2 ARG A 133 -5.737 -2.940 -6.121 1.00 0.92 H new ATOM 0 HD3 ARG A 133 -7.129 -2.634 -5.101 1.00 0.92 H new ATOM 0 HE ARG A 133 -5.778 -0.419 -6.592 1.00 1.77 H new ATOM 0 HH11 ARG A 133 -8.783 -2.271 -6.206 1.00 3.27 H new ATOM 0 HH12 ARG A 133 -9.726 -1.007 -7.002 1.00 3.27 H new ATOM 0 HH21 ARG A 133 -7.022 1.162 -7.413 1.00 4.08 H new ATOM 0 HH22 ARG A 133 -8.749 0.896 -7.670 1.00 4.08 H new ATOM 622 N CYS A 134 -3.482 0.947 -3.587 1.00 0.40 N ATOM 623 CA CYS A 134 -3.049 1.938 -4.555 1.00 0.45 C ATOM 624 C CYS A 134 -4.015 2.056 -5.750 1.00 0.60 C ATOM 625 O CYS A 134 -4.751 1.126 -6.110 1.00 1.02 O ATOM 626 CB CYS A 134 -1.617 1.547 -4.947 1.00 0.44 C ATOM 627 SG CYS A 134 -0.654 2.699 -5.995 1.00 0.56 S ATOM 0 H CYS A 134 -2.802 0.197 -3.461 1.00 0.40 H new ATOM 0 HA CYS A 134 -3.058 2.942 -4.131 1.00 0.45 H new ATOM 0 HB2 CYS A 134 -1.054 1.385 -4.028 1.00 0.44 H new ATOM 0 HB3 CYS A 134 -1.665 0.589 -5.464 1.00 0.44 H new ATOM 632 N TRP A 135 -3.976 3.219 -6.393 1.00 0.67 N ATOM 633 CA TRP A 135 -4.634 3.446 -7.675 1.00 0.78 C ATOM 634 C TRP A 135 -3.659 3.374 -8.867 1.00 0.84 C ATOM 635 O TRP A 135 -4.130 3.286 -9.998 1.00 0.97 O ATOM 636 CB TRP A 135 -5.415 4.767 -7.595 1.00 0.85 C ATOM 637 CG TRP A 135 -4.613 6.030 -7.622 1.00 0.86 C ATOM 638 CD1 TRP A 135 -4.100 6.695 -6.560 1.00 0.86 C ATOM 639 CD2 TRP A 135 -4.169 6.765 -8.801 1.00 0.98 C ATOM 640 NE1 TRP A 135 -3.416 7.815 -7.006 1.00 0.99 N ATOM 641 CE2 TRP A 135 -3.422 7.904 -8.383 1.00 1.04 C ATOM 642 CE3 TRP A 135 -4.250 6.520 -10.186 1.00 1.10 C ATOM 643 CZ2 TRP A 135 -2.810 8.776 -9.300 1.00 1.20 C ATOM 644 CZ3 TRP A 135 -3.575 7.334 -11.106 1.00 1.24 C ATOM 645 CH2 TRP A 135 -2.879 8.479 -10.674 1.00 1.28 C ATOM 0 H TRP A 135 -3.483 4.037 -6.036 1.00 0.67 H new ATOM 0 HA TRP A 135 -5.340 2.639 -7.869 1.00 0.78 H new ATOM 0 HB2 TRP A 135 -6.120 4.795 -8.426 1.00 0.85 H new ATOM 0 HB3 TRP A 135 -6.003 4.758 -6.678 1.00 0.85 H new ATOM 0 HD1 TRP A 135 -4.207 6.399 -5.527 1.00 0.86 H new ATOM 0 HE1 TRP A 135 -2.963 8.491 -6.391 1.00 0.99 H new ATOM 0 HE3 TRP A 135 -4.842 5.691 -10.545 1.00 1.10 H new ATOM 0 HZ2 TRP A 135 -2.295 9.660 -8.955 1.00 1.20 H new ATOM 0 HZ3 TRP A 135 -3.589 7.081 -12.156 1.00 1.24 H new ATOM 0 HH2 TRP A 135 -2.400 9.126 -11.394 1.00 1.28 H new ATOM 656 N GLU A 136 -2.340 3.384 -8.633 1.00 0.82 N ATOM 657 CA GLU A 136 -1.326 3.544 -9.685 1.00 0.84 C ATOM 658 C GLU A 136 -0.660 2.199 -10.027 1.00 0.88 C ATOM 659 O GLU A 136 -1.033 1.565 -11.009 1.00 1.17 O ATOM 660 CB GLU A 136 -0.288 4.586 -9.240 1.00 0.76 C ATOM 661 CG GLU A 136 -0.909 5.973 -9.156 1.00 0.73 C ATOM 662 CD GLU A 136 0.120 7.084 -9.174 1.00 1.31 C ATOM 663 OE1 GLU A 136 0.737 7.315 -10.239 1.00 1.73 O ATOM 664 OE2 GLU A 136 0.415 7.609 -8.081 1.00 2.58 O ATOM 0 H GLU A 136 -1.943 3.280 -7.699 1.00 0.82 H new ATOM 0 HA GLU A 136 -1.812 3.898 -10.594 1.00 0.84 H new ATOM 0 HB2 GLU A 136 0.120 4.307 -8.268 1.00 0.76 H new ATOM 0 HB3 GLU A 136 0.545 4.598 -9.943 1.00 0.76 H new ATOM 0 HG2 GLU A 136 -1.596 6.108 -9.991 1.00 0.73 H new ATOM 0 HG3 GLU A 136 -1.499 6.046 -8.242 1.00 0.73 H new ATOM 671 N CYS A 137 0.296 1.730 -9.208 1.00 0.74 N ATOM 672 CA CYS A 137 0.892 0.404 -9.330 1.00 0.84 C ATOM 673 C CYS A 137 -0.097 -0.725 -8.949 1.00 0.98 C ATOM 674 O CYS A 137 0.090 -1.890 -9.322 1.00 1.37 O ATOM 675 CB CYS A 137 2.146 0.384 -8.454 1.00 0.77 C ATOM 676 SG CYS A 137 1.878 0.725 -6.679 1.00 0.66 S ATOM 0 H CYS A 137 0.677 2.275 -8.434 1.00 0.74 H new ATOM 0 HA CYS A 137 1.154 0.212 -10.370 1.00 0.84 H new ATOM 0 HB2 CYS A 137 2.618 -0.594 -8.550 1.00 0.77 H new ATOM 0 HB3 CYS A 137 2.851 1.118 -8.844 1.00 0.77 H new ATOM 681 N GLY A 138 -1.126 -0.395 -8.160 1.00 0.71 N ATOM 682 CA GLY A 138 -2.197 -1.310 -7.773 1.00 0.75 C ATOM 683 C GLY A 138 -1.726 -2.437 -6.857 1.00 0.82 C ATOM 684 O GLY A 138 -2.262 -3.544 -6.929 1.00 1.08 O ATOM 0 H GLY A 138 -1.236 0.539 -7.765 1.00 0.71 H new ATOM 0 HA2 GLY A 138 -2.983 -0.747 -7.270 1.00 0.75 H new ATOM 0 HA3 GLY A 138 -2.639 -1.742 -8.671 1.00 0.75 H new ATOM 688 N SER A 139 -0.743 -2.191 -5.985 1.00 0.66 N ATOM 689 CA SER A 139 -0.591 -3.063 -4.810 1.00 0.60 C ATOM 690 C SER A 139 -1.720 -2.806 -3.799 1.00 0.45 C ATOM 691 O SER A 139 -2.250 -1.702 -3.710 1.00 0.62 O ATOM 692 CB SER A 139 0.817 -3.028 -4.173 1.00 0.74 C ATOM 693 OG SER A 139 0.746 -2.946 -2.769 1.00 1.96 O ATOM 0 H SER A 139 -0.067 -1.431 -6.060 1.00 0.66 H new ATOM 0 HA SER A 139 -0.687 -4.089 -5.165 1.00 0.60 H new ATOM 0 HB2 SER A 139 1.369 -3.923 -4.459 1.00 0.74 H new ATOM 0 HB3 SER A 139 1.372 -2.174 -4.561 1.00 0.74 H new ATOM 0 HG SER A 139 1.288 -2.191 -2.458 1.00 1.96 H new ATOM 699 N VAL A 140 -2.036 -3.842 -3.021 1.00 0.50 N ATOM 700 CA VAL A 140 -2.748 -3.699 -1.744 1.00 0.38 C ATOM 701 C VAL A 140 -1.690 -3.783 -0.652 1.00 0.38 C ATOM 702 O VAL A 140 -0.834 -4.659 -0.694 1.00 0.58 O ATOM 703 CB VAL A 140 -3.820 -4.787 -1.492 1.00 0.40 C ATOM 704 CG1 VAL A 140 -4.545 -4.615 -0.145 1.00 0.38 C ATOM 705 CG2 VAL A 140 -4.912 -4.831 -2.572 1.00 0.50 C ATOM 0 H VAL A 140 -1.806 -4.807 -3.256 1.00 0.50 H new ATOM 0 HA VAL A 140 -3.287 -2.752 -1.756 1.00 0.38 H new ATOM 0 HB VAL A 140 -3.244 -5.712 -1.503 1.00 0.40 H new ATOM 0 HG11 VAL A 140 -5.284 -5.407 -0.026 1.00 0.38 H new ATOM 0 HG12 VAL A 140 -3.821 -4.669 0.668 1.00 0.38 H new ATOM 0 HG13 VAL A 140 -5.044 -3.646 -0.122 1.00 0.38 H new ATOM 0 HG21 VAL A 140 -5.629 -5.616 -2.332 1.00 0.50 H new ATOM 0 HG22 VAL A 140 -5.425 -3.870 -2.610 1.00 0.50 H new ATOM 0 HG23 VAL A 140 -4.457 -5.039 -3.541 1.00 0.50 H new ATOM 715 N TYR A 141 -1.784 -2.886 0.320 1.00 0.30 N ATOM 716 CA TYR A 141 -0.882 -2.695 1.446 1.00 0.30 C ATOM 717 C TYR A 141 -1.599 -2.943 2.762 1.00 0.30 C ATOM 718 O TYR A 141 -2.735 -2.503 2.965 1.00 0.43 O ATOM 719 CB TYR A 141 -0.389 -1.247 1.458 1.00 0.30 C ATOM 720 CG TYR A 141 0.492 -0.919 0.286 1.00 0.31 C ATOM 721 CD1 TYR A 141 1.868 -1.191 0.373 1.00 1.64 C ATOM 722 CD2 TYR A 141 -0.064 -0.415 -0.904 1.00 1.60 C ATOM 723 CE1 TYR A 141 2.700 -0.946 -0.727 1.00 1.62 C ATOM 724 CE2 TYR A 141 0.760 -0.182 -2.012 1.00 1.66 C ATOM 725 CZ TYR A 141 2.143 -0.468 -1.936 1.00 0.44 C ATOM 726 OH TYR A 141 2.895 -0.428 -3.063 1.00 0.59 O ATOM 0 H TYR A 141 -2.556 -2.220 0.342 1.00 0.30 H new ATOM 0 HA TYR A 141 -0.055 -3.396 1.338 1.00 0.30 H new ATOM 0 HB2 TYR A 141 -1.248 -0.576 1.459 1.00 0.30 H new ATOM 0 HB3 TYR A 141 0.160 -1.063 2.381 1.00 0.30 H new ATOM 0 HD1 TYR A 141 2.284 -1.589 1.287 1.00 1.64 H new ATOM 0 HD2 TYR A 141 -1.122 -0.209 -0.963 1.00 1.60 H new ATOM 0 HE1 TYR A 141 3.763 -1.121 -0.652 1.00 1.62 H new ATOM 0 HE2 TYR A 141 0.340 0.216 -2.924 1.00 1.66 H new ATOM 0 HH TYR A 141 3.253 0.476 -3.186 1.00 0.59 H new ATOM 736 N LYS A 142 -0.896 -3.585 3.687 1.00 0.32 N ATOM 737 CA LYS A 142 -1.377 -3.782 5.036 1.00 0.27 C ATOM 738 C LYS A 142 -0.672 -2.888 6.048 1.00 0.36 C ATOM 739 O LYS A 142 0.536 -2.655 5.970 1.00 0.45 O ATOM 740 CB LYS A 142 -1.236 -5.252 5.467 1.00 0.56 C ATOM 741 CG LYS A 142 -2.506 -5.525 6.262 1.00 0.42 C ATOM 742 CD LYS A 142 -2.500 -6.662 7.263 1.00 0.76 C ATOM 743 CE LYS A 142 -3.876 -6.571 7.928 1.00 0.86 C ATOM 744 NZ LYS A 142 -4.019 -5.385 8.805 1.00 2.58 N ATOM 0 H LYS A 142 0.027 -3.983 3.515 1.00 0.32 H new ATOM 0 HA LYS A 142 -2.431 -3.506 5.022 1.00 0.27 H new ATOM 0 HB2 LYS A 142 -1.154 -5.915 4.605 1.00 0.56 H new ATOM 0 HB3 LYS A 142 -0.344 -5.406 6.074 1.00 0.56 H new ATOM 0 HG2 LYS A 142 -2.764 -4.612 6.798 1.00 0.42 H new ATOM 0 HG3 LYS A 142 -3.309 -5.714 5.550 1.00 0.42 H new ATOM 0 HD2 LYS A 142 -2.355 -7.625 6.773 1.00 0.76 H new ATOM 0 HD3 LYS A 142 -1.696 -6.550 7.990 1.00 0.76 H new ATOM 0 HE2 LYS A 142 -4.645 -6.540 7.156 1.00 0.86 H new ATOM 0 HE3 LYS A 142 -4.050 -7.473 8.515 1.00 0.86 H new ATOM 0 HZ1 LYS A 142 -4.526 -5.654 9.672 1.00 2.58 H new ATOM 0 HZ2 LYS A 142 -3.077 -5.021 9.054 1.00 2.58 H new ATOM 0 HZ3 LYS A 142 -4.554 -4.646 8.306 1.00 2.58 H new ATOM 758 N LEU A 143 -1.428 -2.500 7.075 1.00 0.47 N ATOM 759 CA LEU A 143 -0.837 -2.116 8.354 1.00 0.44 C ATOM 760 C LEU A 143 -0.722 -3.332 9.266 1.00 0.43 C ATOM 761 O LEU A 143 -1.581 -4.211 9.259 1.00 0.56 O ATOM 762 CB LEU A 143 -1.683 -1.041 9.031 1.00 0.47 C ATOM 763 CG LEU A 143 -0.847 -0.238 10.050 1.00 0.54 C ATOM 764 CD1 LEU A 143 -1.031 1.231 9.730 1.00 0.46 C ATOM 765 CD2 LEU A 143 -1.281 -0.494 11.494 1.00 0.89 C ATOM 0 H LEU A 143 -2.446 -2.444 7.046 1.00 0.47 H new ATOM 0 HA LEU A 143 0.159 -1.714 8.167 1.00 0.44 H new ATOM 0 HB2 LEU A 143 -2.091 -0.366 8.278 1.00 0.47 H new ATOM 0 HB3 LEU A 143 -2.530 -1.505 9.536 1.00 0.47 H new ATOM 0 HG LEU A 143 0.195 -0.548 9.970 1.00 0.54 H new ATOM 0 HD11 LEU A 143 -0.453 1.832 10.432 1.00 0.46 H new ATOM 0 HD12 LEU A 143 -0.687 1.428 8.715 1.00 0.46 H new ATOM 0 HD13 LEU A 143 -2.086 1.492 9.812 1.00 0.46 H new ATOM 0 HD21 LEU A 143 -0.661 0.095 12.170 1.00 0.89 H new ATOM 0 HD22 LEU A 143 -2.325 -0.207 11.616 1.00 0.89 H new ATOM 0 HD23 LEU A 143 -1.166 -1.553 11.726 1.00 0.89 H new ATOM 777 N ASN A 144 0.337 -3.365 10.053 1.00 0.43 N ATOM 778 CA ASN A 144 0.620 -4.428 11.026 1.00 0.50 C ATOM 779 C ASN A 144 0.391 -3.981 12.499 1.00 0.58 C ATOM 780 O ASN A 144 0.438 -2.794 12.786 1.00 0.64 O ATOM 781 CB ASN A 144 2.056 -4.943 10.789 1.00 0.55 C ATOM 782 CG ASN A 144 3.114 -3.892 10.496 1.00 0.79 C ATOM 783 OD1 ASN A 144 2.952 -2.711 10.749 1.00 1.31 O ATOM 784 ND2 ASN A 144 4.239 -4.333 9.974 1.00 0.82 N ATOM 0 H ASN A 144 1.051 -2.636 10.040 1.00 0.43 H new ATOM 0 HA ASN A 144 -0.089 -5.241 10.869 1.00 0.50 H new ATOM 0 HB2 ASN A 144 2.367 -5.504 11.670 1.00 0.55 H new ATOM 0 HB3 ASN A 144 2.033 -5.646 9.956 1.00 0.55 H new ATOM 0 HD21 ASN A 144 4.998 -3.682 9.773 1.00 0.82 H new ATOM 0 HD22 ASN A 144 4.352 -5.326 9.771 1.00 0.82 H new ATOM 791 N PRO A 145 0.196 -4.909 13.466 1.00 0.73 N ATOM 792 CA PRO A 145 -0.088 -4.640 14.893 1.00 0.92 C ATOM 793 C PRO A 145 1.080 -4.099 15.718 1.00 0.93 C ATOM 794 O PRO A 145 0.957 -3.847 16.913 1.00 1.29 O ATOM 795 CB PRO A 145 -0.443 -6.002 15.485 1.00 1.15 C ATOM 796 CG PRO A 145 0.490 -6.897 14.687 1.00 1.10 C ATOM 797 CD PRO A 145 0.266 -6.346 13.288 1.00 0.89 C ATOM 0 HA PRO A 145 -0.860 -3.872 14.933 1.00 0.92 H new ATOM 0 HB2 PRO A 145 -0.251 -6.052 16.557 1.00 1.15 H new ATOM 0 HB3 PRO A 145 -1.492 -6.259 15.337 1.00 1.15 H new ATOM 0 HG2 PRO A 145 1.528 -6.806 15.008 1.00 1.10 H new ATOM 0 HG3 PRO A 145 0.223 -7.951 14.766 1.00 1.10 H new ATOM 0 HD2 PRO A 145 1.080 -6.623 12.618 1.00 0.89 H new ATOM 0 HD3 PRO A 145 -0.653 -6.736 12.851 1.00 0.89 H new ATOM 805 N VAL A 146 2.238 -4.035 15.084 1.00 0.77 N ATOM 806 CA VAL A 146 3.480 -3.506 15.620 1.00 0.82 C ATOM 807 C VAL A 146 3.268 -2.134 16.288 1.00 1.36 C ATOM 808 O VAL A 146 2.495 -1.311 15.805 1.00 2.17 O ATOM 809 CB VAL A 146 4.542 -3.457 14.511 1.00 0.95 C ATOM 810 CG1 VAL A 146 4.253 -2.365 13.496 1.00 0.91 C ATOM 811 CG2 VAL A 146 5.947 -3.311 15.064 1.00 1.83 C ATOM 0 H VAL A 146 2.342 -4.370 14.126 1.00 0.77 H new ATOM 0 HA VAL A 146 3.840 -4.172 16.404 1.00 0.82 H new ATOM 0 HB VAL A 146 4.487 -4.417 13.998 1.00 0.95 H new ATOM 0 HG11 VAL A 146 5.028 -2.366 12.730 1.00 0.91 H new ATOM 0 HG12 VAL A 146 3.284 -2.547 13.032 1.00 0.91 H new ATOM 0 HG13 VAL A 146 4.239 -1.397 13.997 1.00 0.91 H new ATOM 0 HG21 VAL A 146 6.661 -3.281 14.241 1.00 1.83 H new ATOM 0 HG22 VAL A 146 6.018 -2.388 15.639 1.00 1.83 H new ATOM 0 HG23 VAL A 146 6.174 -4.159 15.710 1.00 1.83 H new ATOM 821 N GLY A 147 3.958 -1.864 17.396 1.00 1.29 N ATOM 822 CA GLY A 147 3.846 -0.604 18.095 1.00 1.64 C ATOM 823 C GLY A 147 4.852 -0.468 19.217 1.00 1.66 C ATOM 824 O GLY A 147 5.849 -1.177 19.310 1.00 1.69 O ATOM 0 H GLY A 147 4.609 -2.520 17.827 1.00 1.29 H new ATOM 0 HA2 GLY A 147 3.985 0.213 17.387 1.00 1.64 H new ATOM 0 HA3 GLY A 147 2.839 -0.507 18.501 1.00 1.64 H new TER 828 GLY A 147 HETATM 829 ZN ZN A 156 1.828 3.019 -5.884 1.00 0.52 ZN