USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=16 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 -93:sc= 1.85 USER MOD Set 1.2: A 141 TYR OH : rot 74:sc= 0.856 USER MOD Single : A 94 MET CE :methyl -179:sc= 0 (180deg=-0.00202) USER MOD Single : A 95 LYS NZ :NH3+ 174:sc= 1.2 (180deg=1.12) USER MOD Single : A 102 SER OG : rot 111:sc= -0.703! USER MOD Single : A 103 TYR OH : rot -15:sc= 1.28 USER MOD Single : A 106 TYR OH : rot -36:sc= 1.21 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot -17:sc= 0.74 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.0943 USER MOD Single : A 122 MET CE :methyl -155:sc= -2.06! (180deg=-3.33!) USER MOD Single : A 125 LYS NZ :NH3+ -159:sc= -0.215 (180deg=-0.6) USER MOD Single : A 127 THR OG1 : rot 146:sc= 1.35 USER MOD Single : A 129 ASN : amide:sc= -0.0475 X(o=-0.047,f=0) USER MOD Single : A 142 LYS NZ :NH3+ -135:sc= 0.817 (180deg=0.0461) USER MOD Single : A 144 ASN : amide:sc= -2.44 K(o=-2.4,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 94 -5.557 -9.066 -0.031 1.00 1.06 N ATOM 2 CA MET A 94 -6.141 -8.607 1.220 1.00 0.92 C ATOM 3 C MET A 94 -5.852 -9.399 2.489 1.00 1.04 C ATOM 4 O MET A 94 -6.354 -9.084 3.562 1.00 1.94 O ATOM 5 CB MET A 94 -7.647 -8.547 0.981 1.00 0.94 C ATOM 6 CG MET A 94 -8.007 -7.797 -0.307 1.00 0.96 C ATOM 7 SD MET A 94 -9.551 -6.857 -0.321 1.00 1.04 S ATOM 8 CE MET A 94 -10.726 -8.203 -0.033 1.00 2.54 C ATOM 0 HA MET A 94 -5.666 -7.651 1.440 1.00 0.92 H new ATOM 0 HB2 MET A 94 -8.044 -9.561 0.931 1.00 0.94 H new ATOM 0 HB3 MET A 94 -8.127 -8.058 1.829 1.00 0.94 H new ATOM 0 HG2 MET A 94 -7.192 -7.109 -0.535 1.00 0.96 H new ATOM 0 HG3 MET A 94 -8.048 -8.523 -1.119 1.00 0.96 H new ATOM 0 HE1 MET A 94 -11.741 -7.805 -0.029 1.00 2.54 H new ATOM 0 HE2 MET A 94 -10.631 -8.945 -0.826 1.00 2.54 H new ATOM 0 HE3 MET A 94 -10.515 -8.670 0.929 1.00 2.54 H new ATOM 18 N LYS A 95 -5.041 -10.436 2.380 1.00 1.14 N ATOM 19 CA LYS A 95 -4.510 -11.127 3.543 1.00 1.07 C ATOM 20 C LYS A 95 -3.440 -10.307 4.287 1.00 0.99 C ATOM 21 O LYS A 95 -3.576 -10.028 5.479 1.00 1.51 O ATOM 22 CB LYS A 95 -3.940 -12.485 3.098 1.00 1.23 C ATOM 23 CG LYS A 95 -3.087 -12.491 1.801 1.00 1.23 C ATOM 24 CD LYS A 95 -1.682 -12.973 2.171 1.00 1.28 C ATOM 25 CE LYS A 95 -0.578 -13.033 1.117 1.00 1.50 C ATOM 26 NZ LYS A 95 0.717 -13.332 1.803 1.00 2.63 N ATOM 0 H LYS A 95 -4.733 -10.822 1.488 1.00 1.14 H new ATOM 0 HA LYS A 95 -5.326 -11.273 4.250 1.00 1.07 H new ATOM 0 HB2 LYS A 95 -3.329 -12.880 3.909 1.00 1.23 H new ATOM 0 HB3 LYS A 95 -4.772 -13.175 2.961 1.00 1.23 H new ATOM 0 HG2 LYS A 95 -3.532 -13.148 1.053 1.00 1.23 H new ATOM 0 HG3 LYS A 95 -3.047 -11.493 1.365 1.00 1.23 H new ATOM 0 HD2 LYS A 95 -1.324 -12.331 2.975 1.00 1.28 H new ATOM 0 HD3 LYS A 95 -1.785 -13.976 2.586 1.00 1.28 H new ATOM 0 HE2 LYS A 95 -0.801 -13.802 0.378 1.00 1.50 H new ATOM 0 HE3 LYS A 95 -0.513 -12.086 0.582 1.00 1.50 H new ATOM 0 HZ1 LYS A 95 1.461 -13.477 1.091 1.00 2.63 H new ATOM 0 HZ2 LYS A 95 0.976 -12.534 2.418 1.00 2.63 H new ATOM 0 HZ3 LYS A 95 0.615 -14.193 2.377 1.00 2.63 H new ATOM 40 N ASP A 96 -2.372 -9.989 3.550 1.00 0.70 N ATOM 41 CA ASP A 96 -0.969 -9.772 3.965 1.00 0.77 C ATOM 42 C ASP A 96 -0.033 -9.744 2.710 1.00 0.69 C ATOM 43 O ASP A 96 0.664 -10.687 2.363 1.00 0.84 O ATOM 44 CB ASP A 96 -0.630 -10.816 5.049 1.00 0.94 C ATOM 45 CG ASP A 96 0.818 -11.310 5.101 1.00 1.71 C ATOM 46 OD1 ASP A 96 1.644 -10.620 5.733 1.00 2.16 O ATOM 47 OD2 ASP A 96 1.051 -12.374 4.471 1.00 3.00 O ATOM 0 H ASP A 96 -2.471 -9.862 2.543 1.00 0.70 H new ATOM 0 HA ASP A 96 -0.810 -8.796 4.424 1.00 0.77 H new ATOM 0 HB2 ASP A 96 -0.879 -10.390 6.021 1.00 0.94 H new ATOM 0 HB3 ASP A 96 -1.279 -11.680 4.904 1.00 0.94 H new ATOM 52 N PRO A 97 -0.128 -8.688 1.901 1.00 0.56 N ATOM 53 CA PRO A 97 0.569 -8.530 0.621 1.00 0.54 C ATOM 54 C PRO A 97 1.946 -7.882 0.757 1.00 0.51 C ATOM 55 O PRO A 97 2.940 -8.329 0.193 1.00 0.74 O ATOM 56 CB PRO A 97 -0.355 -7.593 -0.150 1.00 0.51 C ATOM 57 CG PRO A 97 -1.078 -6.768 0.929 1.00 0.48 C ATOM 58 CD PRO A 97 -1.181 -7.726 2.078 1.00 0.56 C ATOM 0 HA PRO A 97 0.756 -9.494 0.148 1.00 0.54 H new ATOM 0 HB2 PRO A 97 0.209 -6.950 -0.826 1.00 0.51 H new ATOM 0 HB3 PRO A 97 -1.064 -8.152 -0.760 1.00 0.51 H new ATOM 0 HG2 PRO A 97 -0.514 -5.875 1.198 1.00 0.48 H new ATOM 0 HG3 PRO A 97 -2.060 -6.436 0.592 1.00 0.48 H new ATOM 0 HD2 PRO A 97 -1.074 -7.204 3.029 1.00 0.56 H new ATOM 0 HD3 PRO A 97 -2.155 -8.215 2.090 1.00 0.56 H new ATOM 66 N ILE A 98 1.925 -6.762 1.464 1.00 0.46 N ATOM 67 CA ILE A 98 2.940 -5.766 1.728 1.00 0.43 C ATOM 68 C ILE A 98 2.627 -5.278 3.129 1.00 0.41 C ATOM 69 O ILE A 98 1.462 -5.106 3.489 1.00 0.40 O ATOM 70 CB ILE A 98 2.853 -4.564 0.770 1.00 0.45 C ATOM 71 CG1 ILE A 98 2.480 -4.880 -0.708 1.00 0.47 C ATOM 72 CG2 ILE A 98 4.148 -3.745 0.945 1.00 0.47 C ATOM 73 CD1 ILE A 98 3.628 -4.894 -1.713 1.00 0.53 C ATOM 0 H ILE A 98 1.059 -6.498 1.934 1.00 0.46 H new ATOM 0 HA ILE A 98 3.935 -6.193 1.605 1.00 0.43 H new ATOM 0 HB ILE A 98 1.986 -3.966 1.052 1.00 0.45 H new ATOM 0 HG12 ILE A 98 1.991 -5.854 -0.735 1.00 0.47 H new ATOM 0 HG13 ILE A 98 1.746 -4.145 -1.039 1.00 0.47 H new ATOM 0 HG21 ILE A 98 4.125 -2.881 0.281 1.00 0.47 H new ATOM 0 HG22 ILE A 98 4.227 -3.406 1.978 1.00 0.47 H new ATOM 0 HG23 ILE A 98 5.008 -4.368 0.700 1.00 0.47 H new ATOM 0 HD11 ILE A 98 3.240 -5.126 -2.705 1.00 0.53 H new ATOM 0 HD12 ILE A 98 4.108 -3.916 -1.731 1.00 0.53 H new ATOM 0 HD13 ILE A 98 4.357 -5.651 -1.422 1.00 0.53 H new ATOM 85 N ILE A 99 3.671 -5.028 3.894 1.00 0.43 N ATOM 86 CA ILE A 99 3.588 -4.645 5.293 1.00 0.43 C ATOM 87 C ILE A 99 4.206 -3.282 5.524 1.00 0.49 C ATOM 88 O ILE A 99 5.346 -3.021 5.157 1.00 0.72 O ATOM 89 CB ILE A 99 4.246 -5.731 6.156 1.00 0.55 C ATOM 90 CG1 ILE A 99 3.389 -7.008 6.105 1.00 0.63 C ATOM 91 CG2 ILE A 99 4.431 -5.255 7.601 1.00 0.59 C ATOM 92 CD1 ILE A 99 2.124 -6.963 6.981 1.00 0.66 C ATOM 0 H ILE A 99 4.630 -5.087 3.551 1.00 0.43 H new ATOM 0 HA ILE A 99 2.541 -4.562 5.584 1.00 0.43 H new ATOM 0 HB ILE A 99 5.237 -5.947 5.758 1.00 0.55 H new ATOM 0 HG12 ILE A 99 3.094 -7.191 5.072 1.00 0.63 H new ATOM 0 HG13 ILE A 99 4.001 -7.854 6.416 1.00 0.63 H new ATOM 0 HG21 ILE A 99 4.899 -6.046 8.187 1.00 0.59 H new ATOM 0 HG22 ILE A 99 5.066 -4.369 7.614 1.00 0.59 H new ATOM 0 HG23 ILE A 99 3.460 -5.011 8.031 1.00 0.59 H new ATOM 0 HD11 ILE A 99 1.581 -7.903 6.884 1.00 0.66 H new ATOM 0 HD12 ILE A 99 2.408 -6.814 8.023 1.00 0.66 H new ATOM 0 HD13 ILE A 99 1.486 -6.140 6.657 1.00 0.66 H new ATOM 104 N ILE A 100 3.439 -2.433 6.195 1.00 0.37 N ATOM 105 CA ILE A 100 3.773 -1.048 6.506 1.00 0.37 C ATOM 106 C ILE A 100 3.887 -0.934 8.009 1.00 0.41 C ATOM 107 O ILE A 100 2.878 -0.833 8.701 1.00 0.55 O ATOM 108 CB ILE A 100 2.690 -0.118 5.935 1.00 0.35 C ATOM 109 CG1 ILE A 100 2.579 -0.321 4.402 1.00 0.40 C ATOM 110 CG2 ILE A 100 2.971 1.356 6.289 1.00 0.44 C ATOM 111 CD1 ILE A 100 3.907 -0.158 3.637 1.00 0.55 C ATOM 0 H ILE A 100 2.524 -2.703 6.555 1.00 0.37 H new ATOM 0 HA ILE A 100 4.719 -0.751 6.054 1.00 0.37 H new ATOM 0 HB ILE A 100 1.734 -0.376 6.390 1.00 0.35 H new ATOM 0 HG12 ILE A 100 2.183 -1.318 4.208 1.00 0.40 H new ATOM 0 HG13 ILE A 100 1.856 0.392 4.005 1.00 0.40 H new ATOM 0 HG21 ILE A 100 2.187 1.987 5.870 1.00 0.44 H new ATOM 0 HG22 ILE A 100 2.991 1.473 7.373 1.00 0.44 H new ATOM 0 HG23 ILE A 100 3.935 1.652 5.875 1.00 0.44 H new ATOM 0 HD11 ILE A 100 3.736 -0.317 2.572 1.00 0.55 H new ATOM 0 HD12 ILE A 100 4.297 0.847 3.795 1.00 0.55 H new ATOM 0 HD13 ILE A 100 4.629 -0.889 4.001 1.00 0.55 H new ATOM 123 N GLU A 101 5.133 -0.991 8.464 1.00 0.62 N ATOM 124 CA GLU A 101 5.504 -0.822 9.869 1.00 0.69 C ATOM 125 C GLU A 101 5.308 0.648 10.245 1.00 0.94 C ATOM 126 O GLU A 101 6.075 1.519 9.849 1.00 1.49 O ATOM 127 CB GLU A 101 6.922 -1.367 10.137 1.00 0.92 C ATOM 128 CG GLU A 101 6.927 -2.231 11.396 1.00 0.90 C ATOM 129 CD GLU A 101 8.317 -2.759 11.730 1.00 1.57 C ATOM 130 OE1 GLU A 101 9.035 -2.036 12.456 1.00 2.54 O ATOM 131 OE2 GLU A 101 8.626 -3.882 11.274 1.00 2.47 O ATOM 0 H GLU A 101 5.934 -1.160 7.855 1.00 0.62 H new ATOM 0 HA GLU A 101 4.858 -1.413 10.519 1.00 0.69 H new ATOM 0 HB2 GLU A 101 7.261 -1.954 9.283 1.00 0.92 H new ATOM 0 HB3 GLU A 101 7.622 -0.539 10.253 1.00 0.92 H new ATOM 0 HG2 GLU A 101 6.551 -1.647 12.236 1.00 0.90 H new ATOM 0 HG3 GLU A 101 6.245 -3.070 11.261 1.00 0.90 H new ATOM 138 N SER A 102 4.189 0.955 10.897 1.00 1.07 N ATOM 139 CA SER A 102 3.654 2.321 10.891 1.00 1.63 C ATOM 140 C SER A 102 3.874 3.080 12.195 1.00 2.21 C ATOM 141 O SER A 102 4.205 4.257 12.131 1.00 3.70 O ATOM 142 CB SER A 102 2.151 2.281 10.613 1.00 1.52 C ATOM 143 OG SER A 102 1.519 1.515 11.614 1.00 1.84 O ATOM 0 H SER A 102 3.637 0.285 11.433 1.00 1.07 H new ATOM 0 HA SER A 102 4.200 2.850 10.110 1.00 1.63 H new ATOM 0 HB2 SER A 102 1.744 3.292 10.599 1.00 1.52 H new ATOM 0 HB3 SER A 102 1.961 1.847 9.631 1.00 1.52 H new ATOM 0 HG SER A 102 0.978 2.102 12.183 1.00 1.84 H new ATOM 149 N TYR A 103 3.651 2.439 13.347 1.00 1.54 N ATOM 150 CA TYR A 103 3.775 2.972 14.713 1.00 1.82 C ATOM 151 C TYR A 103 2.659 3.972 15.116 1.00 2.02 C ATOM 152 O TYR A 103 2.719 4.545 16.200 1.00 2.21 O ATOM 153 CB TYR A 103 5.219 3.439 15.000 1.00 2.06 C ATOM 154 CG TYR A 103 6.250 2.315 14.954 1.00 1.74 C ATOM 155 CD1 TYR A 103 6.649 1.753 13.726 1.00 2.73 C ATOM 156 CD2 TYR A 103 6.773 1.785 16.152 1.00 1.65 C ATOM 157 CE1 TYR A 103 7.532 0.659 13.695 1.00 2.59 C ATOM 158 CE2 TYR A 103 7.717 0.740 16.122 1.00 1.71 C ATOM 159 CZ TYR A 103 8.102 0.171 14.888 1.00 1.56 C ATOM 160 OH TYR A 103 8.953 -0.891 14.858 1.00 1.81 O ATOM 0 H TYR A 103 3.357 1.462 13.352 1.00 1.54 H new ATOM 0 HA TYR A 103 3.589 2.144 15.397 1.00 1.82 H new ATOM 0 HB2 TYR A 103 5.495 4.203 14.273 1.00 2.06 H new ATOM 0 HB3 TYR A 103 5.251 3.908 15.983 1.00 2.06 H new ATOM 0 HD1 TYR A 103 6.274 2.165 12.801 1.00 2.73 H new ATOM 0 HD2 TYR A 103 6.447 2.184 17.101 1.00 1.65 H new ATOM 0 HE1 TYR A 103 7.774 0.191 12.753 1.00 2.59 H new ATOM 0 HE2 TYR A 103 8.146 0.374 17.043 1.00 1.71 H new ATOM 0 HH TYR A 103 8.880 -1.345 13.992 1.00 1.81 H new ATOM 170 N ASP A 104 1.607 4.100 14.294 1.00 1.98 N ATOM 171 CA ASP A 104 0.219 4.129 14.785 1.00 1.33 C ATOM 172 C ASP A 104 -0.627 3.169 13.924 1.00 1.54 C ATOM 173 O ASP A 104 -0.384 3.017 12.721 1.00 2.66 O ATOM 174 CB ASP A 104 -0.482 5.503 14.725 1.00 1.14 C ATOM 175 CG ASP A 104 0.114 6.671 15.513 1.00 1.73 C ATOM 176 OD1 ASP A 104 1.089 7.269 15.006 1.00 2.15 O ATOM 177 OD2 ASP A 104 -0.514 7.090 16.509 1.00 3.11 O ATOM 0 H ASP A 104 1.691 4.186 13.281 1.00 1.98 H new ATOM 0 HA ASP A 104 0.287 3.849 15.836 1.00 1.33 H new ATOM 0 HB2 ASP A 104 -0.531 5.803 13.678 1.00 1.14 H new ATOM 0 HB3 ASP A 104 -1.508 5.365 15.066 1.00 1.14 H new ATOM 182 N ASP A 105 -1.666 2.597 14.527 1.00 0.94 N ATOM 183 CA ASP A 105 -2.634 1.652 13.956 1.00 0.87 C ATOM 184 C ASP A 105 -3.312 2.124 12.655 1.00 0.73 C ATOM 185 O ASP A 105 -3.756 1.324 11.834 1.00 1.03 O ATOM 186 CB ASP A 105 -3.725 1.481 15.023 1.00 0.93 C ATOM 187 CG ASP A 105 -3.200 0.870 16.322 1.00 2.01 C ATOM 188 OD1 ASP A 105 -2.560 1.635 17.080 1.00 3.44 O ATOM 189 OD2 ASP A 105 -3.463 -0.332 16.541 1.00 2.51 O ATOM 0 H ASP A 105 -1.873 2.795 15.506 1.00 0.94 H new ATOM 0 HA ASP A 105 -2.099 0.739 13.695 1.00 0.87 H new ATOM 0 HB2 ASP A 105 -4.170 2.452 15.239 1.00 0.93 H new ATOM 0 HB3 ASP A 105 -4.518 0.848 14.625 1.00 0.93 H new ATOM 194 N TYR A 106 -3.435 3.440 12.486 1.00 0.62 N ATOM 195 CA TYR A 106 -4.352 4.097 11.548 1.00 0.85 C ATOM 196 C TYR A 106 -3.672 5.105 10.611 1.00 1.18 C ATOM 197 O TYR A 106 -4.381 5.877 9.949 1.00 2.10 O ATOM 198 CB TYR A 106 -5.505 4.735 12.358 1.00 1.02 C ATOM 199 CG TYR A 106 -5.054 5.387 13.654 1.00 0.77 C ATOM 200 CD1 TYR A 106 -4.178 6.492 13.635 1.00 2.04 C ATOM 201 CD2 TYR A 106 -5.378 4.767 14.874 1.00 1.93 C ATOM 202 CE1 TYR A 106 -3.573 6.923 14.831 1.00 2.49 C ATOM 203 CE2 TYR A 106 -4.768 5.187 16.067 1.00 1.79 C ATOM 204 CZ TYR A 106 -3.842 6.252 16.046 1.00 1.44 C ATOM 205 OH TYR A 106 -3.152 6.567 17.176 1.00 2.04 O ATOM 0 H TYR A 106 -2.877 4.107 13.019 1.00 0.62 H new ATOM 0 HA TYR A 106 -4.746 3.338 10.873 1.00 0.85 H new ATOM 0 HB2 TYR A 106 -6.001 5.483 11.739 1.00 1.02 H new ATOM 0 HB3 TYR A 106 -6.245 3.968 12.586 1.00 1.02 H new ATOM 0 HD1 TYR A 106 -3.972 7.005 12.707 1.00 2.04 H new ATOM 0 HD2 TYR A 106 -6.100 3.964 14.893 1.00 1.93 H new ATOM 0 HE1 TYR A 106 -2.901 7.769 14.820 1.00 2.49 H new ATOM 0 HE2 TYR A 106 -5.007 4.696 16.999 1.00 1.79 H new ATOM 0 HH TYR A 106 -2.224 6.781 16.944 1.00 2.04 H new ATOM 215 N ARG A 107 -2.332 5.118 10.530 1.00 0.85 N ATOM 216 CA ARG A 107 -1.568 6.016 9.637 1.00 1.10 C ATOM 217 C ARG A 107 -1.965 5.881 8.154 1.00 1.23 C ATOM 218 O ARG A 107 -2.754 5.019 7.755 1.00 1.61 O ATOM 219 CB ARG A 107 -0.040 5.814 9.796 1.00 1.30 C ATOM 220 CG ARG A 107 0.473 6.151 11.199 1.00 1.62 C ATOM 221 CD ARG A 107 1.983 6.426 11.254 1.00 1.69 C ATOM 222 NE ARG A 107 2.389 6.804 12.617 1.00 2.51 N ATOM 223 CZ ARG A 107 3.598 7.080 13.088 1.00 2.94 C ATOM 224 NH1 ARG A 107 4.692 6.955 12.373 1.00 3.18 N ATOM 225 NH2 ARG A 107 3.703 7.476 14.334 1.00 4.04 N ATOM 0 H ARG A 107 -1.739 4.501 11.086 1.00 0.85 H new ATOM 0 HA ARG A 107 -1.828 7.027 9.951 1.00 1.10 H new ATOM 0 HB2 ARG A 107 0.208 4.778 9.565 1.00 1.30 H new ATOM 0 HB3 ARG A 107 0.480 6.437 9.068 1.00 1.30 H new ATOM 0 HG2 ARG A 107 -0.061 7.026 11.571 1.00 1.62 H new ATOM 0 HG3 ARG A 107 0.238 5.325 11.870 1.00 1.62 H new ATOM 0 HD2 ARG A 107 2.532 5.539 10.938 1.00 1.69 H new ATOM 0 HD3 ARG A 107 2.239 7.224 10.557 1.00 1.69 H new ATOM 0 HE ARG A 107 1.632 6.862 13.298 1.00 2.51 H new ATOM 0 HH11 ARG A 107 4.636 6.632 11.407 1.00 3.18 H new ATOM 0 HH12 ARG A 107 5.598 7.181 12.783 1.00 3.18 H new ATOM 0 HH21 ARG A 107 2.868 7.565 14.913 1.00 4.04 H new ATOM 0 HH22 ARG A 107 4.620 7.695 14.724 1.00 4.04 H new ATOM 239 N TYR A 108 -1.380 6.734 7.314 1.00 1.12 N ATOM 240 CA TYR A 108 -1.262 6.466 5.880 1.00 0.93 C ATOM 241 C TYR A 108 0.107 5.838 5.536 1.00 0.81 C ATOM 242 O TYR A 108 0.993 5.790 6.389 1.00 0.99 O ATOM 243 CB TYR A 108 -1.588 7.733 5.075 1.00 1.10 C ATOM 244 CG TYR A 108 -0.464 8.732 5.070 1.00 1.17 C ATOM 245 CD1 TYR A 108 -0.353 9.665 6.113 1.00 2.32 C ATOM 246 CD2 TYR A 108 0.512 8.665 4.058 1.00 1.88 C ATOM 247 CE1 TYR A 108 0.744 10.540 6.153 1.00 2.55 C ATOM 248 CE2 TYR A 108 1.624 9.519 4.115 1.00 1.88 C ATOM 249 CZ TYR A 108 1.737 10.474 5.151 1.00 1.57 C ATOM 250 OH TYR A 108 2.794 11.331 5.179 1.00 1.87 O ATOM 0 H TYR A 108 -0.977 7.625 7.605 1.00 1.12 H new ATOM 0 HA TYR A 108 -2.000 5.718 5.590 1.00 0.93 H new ATOM 0 HB2 TYR A 108 -1.823 7.454 4.048 1.00 1.10 H new ATOM 0 HB3 TYR A 108 -2.481 8.201 5.490 1.00 1.10 H new ATOM 0 HD1 TYR A 108 -1.109 9.709 6.883 1.00 2.32 H new ATOM 0 HD2 TYR A 108 0.406 7.962 3.245 1.00 1.88 H new ATOM 0 HE1 TYR A 108 0.829 11.264 6.950 1.00 2.55 H new ATOM 0 HE2 TYR A 108 2.397 9.446 3.364 1.00 1.88 H new ATOM 0 HH TYR A 108 3.383 11.149 4.417 1.00 1.87 H new ATOM 260 N VAL A 109 0.249 5.349 4.304 1.00 0.63 N ATOM 261 CA VAL A 109 1.493 4.855 3.686 1.00 0.61 C ATOM 262 C VAL A 109 1.900 5.711 2.485 1.00 0.51 C ATOM 263 O VAL A 109 1.026 6.106 1.720 1.00 0.46 O ATOM 264 CB VAL A 109 1.347 3.389 3.216 1.00 0.65 C ATOM 265 CG1 VAL A 109 0.253 3.138 2.174 1.00 0.64 C ATOM 266 CG2 VAL A 109 2.668 2.887 2.642 1.00 0.86 C ATOM 0 H VAL A 109 -0.545 5.280 3.668 1.00 0.63 H new ATOM 0 HA VAL A 109 2.264 4.916 4.454 1.00 0.61 H new ATOM 0 HB VAL A 109 1.053 2.846 4.114 1.00 0.65 H new ATOM 0 HG11 VAL A 109 0.235 2.080 1.913 1.00 0.64 H new ATOM 0 HG12 VAL A 109 -0.714 3.427 2.585 1.00 0.64 H new ATOM 0 HG13 VAL A 109 0.459 3.728 1.281 1.00 0.64 H new ATOM 0 HG21 VAL A 109 2.553 1.854 2.314 1.00 0.86 H new ATOM 0 HG22 VAL A 109 2.955 3.507 1.793 1.00 0.86 H new ATOM 0 HG23 VAL A 109 3.441 2.941 3.408 1.00 0.86 H new ATOM 276 N GLY A 110 3.208 5.924 2.299 1.00 0.61 N ATOM 277 CA GLY A 110 3.791 6.449 1.059 1.00 0.62 C ATOM 278 C GLY A 110 4.502 5.394 0.205 1.00 0.64 C ATOM 279 O GLY A 110 5.669 5.120 0.480 1.00 0.83 O ATOM 0 H GLY A 110 3.904 5.733 3.020 1.00 0.61 H new ATOM 0 HA2 GLY A 110 3.001 6.909 0.465 1.00 0.62 H new ATOM 0 HA3 GLY A 110 4.501 7.237 1.310 1.00 0.62 H new ATOM 283 N CYS A 111 3.874 4.889 -0.870 1.00 0.55 N ATOM 284 CA CYS A 111 4.575 4.215 -1.960 1.00 0.57 C ATOM 285 C CYS A 111 4.642 5.046 -3.246 1.00 0.56 C ATOM 286 O CYS A 111 3.707 5.749 -3.667 1.00 0.55 O ATOM 287 CB CYS A 111 3.955 2.845 -2.234 1.00 0.77 C ATOM 288 SG CYS A 111 2.361 2.864 -3.153 1.00 1.16 S ATOM 0 H CYS A 111 2.864 4.940 -1.002 1.00 0.55 H new ATOM 0 HA CYS A 111 5.605 4.084 -1.627 1.00 0.57 H new ATOM 0 HB2 CYS A 111 4.672 2.248 -2.798 1.00 0.77 H new ATOM 0 HB3 CYS A 111 3.799 2.340 -1.281 1.00 0.77 H new ATOM 293 N THR A 112 5.775 4.854 -3.918 1.00 0.71 N ATOM 294 CA THR A 112 5.997 5.255 -5.305 1.00 0.65 C ATOM 295 C THR A 112 5.903 4.071 -6.252 1.00 0.72 C ATOM 296 O THR A 112 6.396 4.143 -7.375 1.00 0.74 O ATOM 297 CB THR A 112 7.331 5.985 -5.463 1.00 0.69 C ATOM 298 OG1 THR A 112 8.374 5.126 -5.065 1.00 0.70 O ATOM 299 CG2 THR A 112 7.318 7.227 -4.585 1.00 0.73 C ATOM 0 H THR A 112 6.588 4.402 -3.500 1.00 0.71 H new ATOM 0 HA THR A 112 5.202 5.951 -5.574 1.00 0.65 H new ATOM 0 HB THR A 112 7.483 6.277 -6.502 1.00 0.69 H new ATOM 0 HG1 THR A 112 9.233 5.587 -5.165 1.00 0.70 H new ATOM 0 HG21 THR A 112 8.265 7.756 -4.689 1.00 0.73 H new ATOM 0 HG22 THR A 112 6.501 7.881 -4.891 1.00 0.73 H new ATOM 0 HG23 THR A 112 7.178 6.935 -3.544 1.00 0.73 H new ATOM 307 N GLY A 113 5.324 2.958 -5.796 1.00 0.90 N ATOM 308 CA GLY A 113 5.329 1.710 -6.545 1.00 1.12 C ATOM 309 C GLY A 113 5.486 0.463 -5.694 1.00 1.69 C ATOM 310 O GLY A 113 5.836 0.481 -4.519 1.00 3.45 O ATOM 0 H GLY A 113 4.841 2.902 -4.899 1.00 0.90 H new ATOM 0 HA2 GLY A 113 4.398 1.635 -7.107 1.00 1.12 H new ATOM 0 HA3 GLY A 113 6.140 1.742 -7.273 1.00 1.12 H new ATOM 314 N SER A 114 5.398 -0.641 -6.420 1.00 1.68 N ATOM 315 CA SER A 114 6.604 -1.400 -6.779 1.00 1.85 C ATOM 316 C SER A 114 7.957 -0.776 -6.326 1.00 1.77 C ATOM 317 O SER A 114 8.171 0.417 -6.568 1.00 1.84 O ATOM 318 CB SER A 114 6.613 -1.498 -8.312 1.00 2.28 C ATOM 319 OG SER A 114 5.497 -2.221 -8.826 1.00 3.94 O ATOM 0 H SER A 114 4.524 -1.033 -6.771 1.00 1.68 H new ATOM 0 HA SER A 114 6.543 -2.357 -6.260 1.00 1.85 H new ATOM 0 HB2 SER A 114 6.616 -0.494 -8.736 1.00 2.28 H new ATOM 0 HB3 SER A 114 7.534 -1.983 -8.635 1.00 2.28 H new ATOM 0 HG SER A 114 5.550 -2.252 -9.804 1.00 3.94 H new ATOM 325 N PRO A 115 8.890 -1.555 -5.731 1.00 1.94 N ATOM 326 CA PRO A 115 10.102 -1.060 -5.055 1.00 2.04 C ATOM 327 C PRO A 115 11.212 -0.576 -6.008 1.00 1.95 C ATOM 328 O PRO A 115 12.339 -1.066 -5.991 1.00 2.88 O ATOM 329 CB PRO A 115 10.567 -2.221 -4.170 1.00 2.57 C ATOM 330 CG PRO A 115 10.101 -3.455 -4.935 1.00 2.70 C ATOM 331 CD PRO A 115 8.769 -2.993 -5.516 1.00 2.36 C ATOM 0 HA PRO A 115 9.871 -0.163 -4.480 1.00 2.04 H new ATOM 0 HB2 PRO A 115 11.649 -2.216 -4.036 1.00 2.57 H new ATOM 0 HB3 PRO A 115 10.122 -2.172 -3.176 1.00 2.57 H new ATOM 0 HG2 PRO A 115 10.807 -3.741 -5.714 1.00 2.70 H new ATOM 0 HG3 PRO A 115 9.982 -4.318 -4.280 1.00 2.70 H new ATOM 0 HD2 PRO A 115 8.554 -3.509 -6.452 1.00 2.36 H new ATOM 0 HD3 PRO A 115 7.949 -3.216 -4.833 1.00 2.36 H new ATOM 339 N ALA A 116 10.882 0.391 -6.862 1.00 1.37 N ATOM 340 CA ALA A 116 11.693 0.809 -8.002 1.00 1.51 C ATOM 341 C ALA A 116 11.164 2.116 -8.627 1.00 1.36 C ATOM 342 O ALA A 116 10.912 2.179 -9.832 1.00 1.98 O ATOM 343 CB ALA A 116 11.778 -0.374 -8.984 1.00 1.88 C ATOM 0 H ALA A 116 10.015 0.922 -6.776 1.00 1.37 H new ATOM 0 HA ALA A 116 12.706 1.058 -7.687 1.00 1.51 H new ATOM 0 HB1 ALA A 116 12.380 -0.088 -9.847 1.00 1.88 H new ATOM 0 HB2 ALA A 116 12.239 -1.227 -8.487 1.00 1.88 H new ATOM 0 HB3 ALA A 116 10.775 -0.645 -9.315 1.00 1.88 H new ATOM 349 N GLY A 117 10.903 3.135 -7.787 1.00 1.12 N ATOM 350 CA GLY A 117 10.670 4.538 -8.198 1.00 1.35 C ATOM 351 C GLY A 117 9.547 4.760 -9.218 1.00 1.44 C ATOM 352 O GLY A 117 9.599 5.696 -10.014 1.00 2.13 O ATOM 0 H GLY A 117 10.846 3.005 -6.777 1.00 1.12 H new ATOM 0 HA2 GLY A 117 10.446 5.125 -7.307 1.00 1.35 H new ATOM 0 HA3 GLY A 117 11.596 4.933 -8.615 1.00 1.35 H new ATOM 356 N SER A 118 8.581 3.851 -9.275 1.00 1.14 N ATOM 357 CA SER A 118 7.947 3.487 -10.538 1.00 1.17 C ATOM 358 C SER A 118 6.927 4.511 -11.032 1.00 1.14 C ATOM 359 O SER A 118 6.943 4.850 -12.210 1.00 1.37 O ATOM 360 CB SER A 118 7.312 2.101 -10.388 1.00 1.18 C ATOM 361 OG SER A 118 8.240 1.156 -9.872 1.00 2.09 O ATOM 0 H SER A 118 8.219 3.352 -8.462 1.00 1.14 H new ATOM 0 HA SER A 118 8.722 3.469 -11.304 1.00 1.17 H new ATOM 0 HB2 SER A 118 6.449 2.165 -9.725 1.00 1.18 H new ATOM 0 HB3 SER A 118 6.945 1.761 -11.356 1.00 1.18 H new ATOM 0 HG SER A 118 9.150 1.507 -9.966 1.00 2.09 H new ATOM 367 N HIS A 119 6.101 5.061 -10.145 1.00 0.97 N ATOM 368 CA HIS A 119 5.022 5.995 -10.471 1.00 0.89 C ATOM 369 C HIS A 119 5.256 7.391 -9.874 1.00 0.92 C ATOM 370 O HIS A 119 6.414 7.816 -9.762 1.00 1.51 O ATOM 371 CB HIS A 119 3.710 5.292 -10.116 1.00 0.84 C ATOM 372 CG HIS A 119 3.355 5.066 -8.654 1.00 0.76 C ATOM 373 ND1 HIS A 119 2.911 5.974 -7.741 1.00 0.70 N ATOM 374 CD2 HIS A 119 3.172 3.827 -8.128 1.00 0.75 C ATOM 375 CE1 HIS A 119 2.534 5.346 -6.619 1.00 0.65 C ATOM 376 NE2 HIS A 119 2.634 4.019 -6.843 1.00 0.66 N ATOM 0 H HIS A 119 6.165 4.863 -9.146 1.00 0.97 H new ATOM 0 HA HIS A 119 4.982 6.233 -11.534 1.00 0.89 H new ATOM 0 HB2 HIS A 119 2.899 5.867 -10.564 1.00 0.84 H new ATOM 0 HB3 HIS A 119 3.718 4.318 -10.605 1.00 0.84 H new ATOM 0 HD1 HIS A 119 2.871 6.982 -7.889 1.00 0.70 H new ATOM 0 HD2 HIS A 119 3.395 2.883 -8.602 1.00 0.75 H new ATOM 0 HE1 HIS A 119 2.209 5.816 -5.702 1.00 0.65 H new ATOM 384 N THR A 120 4.196 8.126 -9.527 1.00 0.82 N ATOM 385 CA THR A 120 4.290 9.252 -8.584 1.00 0.87 C ATOM 386 C THR A 120 4.511 8.756 -7.164 1.00 0.76 C ATOM 387 O THR A 120 4.999 7.656 -6.972 1.00 0.70 O ATOM 388 CB THR A 120 3.075 10.149 -8.798 1.00 1.03 C ATOM 389 OG1 THR A 120 3.403 11.421 -8.303 1.00 1.08 O ATOM 390 CG2 THR A 120 1.798 9.663 -8.117 1.00 1.09 C ATOM 0 H THR A 120 3.255 7.963 -9.886 1.00 0.82 H new ATOM 0 HA THR A 120 5.168 9.870 -8.772 1.00 0.87 H new ATOM 0 HB THR A 120 2.855 10.149 -9.866 1.00 1.03 H new ATOM 0 HG1 THR A 120 2.642 12.026 -8.426 1.00 1.08 H new ATOM 0 HG21 THR A 120 0.987 10.362 -8.323 1.00 1.09 H new ATOM 0 HG22 THR A 120 1.534 8.677 -8.500 1.00 1.09 H new ATOM 0 HG23 THR A 120 1.960 9.603 -7.041 1.00 1.09 H new ATOM 398 N ILE A 121 4.134 9.540 -6.174 1.00 0.81 N ATOM 399 CA ILE A 121 3.971 9.156 -4.781 1.00 0.76 C ATOM 400 C ILE A 121 2.524 9.277 -4.348 1.00 0.80 C ATOM 401 O ILE A 121 1.838 10.235 -4.687 1.00 0.96 O ATOM 402 CB ILE A 121 4.883 10.019 -3.900 1.00 0.84 C ATOM 403 CG1 ILE A 121 4.702 9.687 -2.413 1.00 0.84 C ATOM 404 CG2 ILE A 121 4.600 11.510 -4.032 1.00 0.97 C ATOM 405 CD1 ILE A 121 5.301 8.360 -2.031 1.00 0.87 C ATOM 0 H ILE A 121 3.919 10.525 -6.328 1.00 0.81 H new ATOM 0 HA ILE A 121 4.257 8.110 -4.668 1.00 0.76 H new ATOM 0 HB ILE A 121 5.892 9.795 -4.246 1.00 0.84 H new ATOM 0 HG12 ILE A 121 5.160 10.473 -1.812 1.00 0.84 H new ATOM 0 HG13 ILE A 121 3.639 9.682 -2.174 1.00 0.84 H new ATOM 0 HG21 ILE A 121 5.277 12.068 -3.385 1.00 0.97 H new ATOM 0 HG22 ILE A 121 4.751 11.819 -5.066 1.00 0.97 H new ATOM 0 HG23 ILE A 121 3.570 11.712 -3.739 1.00 0.97 H new ATOM 0 HD11 ILE A 121 5.141 8.181 -0.968 1.00 0.87 H new ATOM 0 HD12 ILE A 121 4.826 7.567 -2.608 1.00 0.87 H new ATOM 0 HD13 ILE A 121 6.371 8.370 -2.240 1.00 0.87 H new ATOM 417 N MET A 122 2.087 8.283 -3.581 1.00 0.71 N ATOM 418 CA MET A 122 0.714 8.152 -3.150 1.00 0.73 C ATOM 419 C MET A 122 0.528 7.879 -1.682 1.00 0.70 C ATOM 420 O MET A 122 1.365 7.244 -1.058 1.00 0.85 O ATOM 421 CB MET A 122 0.181 6.975 -3.926 1.00 0.96 C ATOM 422 CG MET A 122 0.103 7.410 -5.363 1.00 1.01 C ATOM 423 SD MET A 122 -0.915 8.846 -5.843 1.00 3.25 S ATOM 424 CE MET A 122 -2.201 8.959 -4.556 1.00 3.97 C ATOM 0 H MET A 122 2.693 7.537 -3.240 1.00 0.71 H new ATOM 0 HA MET A 122 0.201 9.097 -3.326 1.00 0.73 H new ATOM 0 HB2 MET A 122 0.836 6.110 -3.818 1.00 0.96 H new ATOM 0 HB3 MET A 122 -0.801 6.679 -3.556 1.00 0.96 H new ATOM 0 HG2 MET A 122 1.122 7.613 -5.693 1.00 1.01 H new ATOM 0 HG3 MET A 122 -0.254 6.556 -5.939 1.00 1.01 H new ATOM 0 HE1 MET A 122 -3.078 9.464 -4.961 1.00 3.97 H new ATOM 0 HE2 MET A 122 -2.478 7.957 -4.230 1.00 3.97 H new ATOM 0 HE3 MET A 122 -1.817 9.524 -3.707 1.00 3.97 H new ATOM 434 N TRP A 123 -0.633 8.294 -1.180 1.00 0.60 N ATOM 435 CA TRP A 123 -0.955 8.255 0.246 1.00 0.64 C ATOM 436 C TRP A 123 -2.162 7.344 0.494 1.00 0.61 C ATOM 437 O TRP A 123 -3.305 7.741 0.269 1.00 0.78 O ATOM 438 CB TRP A 123 -1.162 9.669 0.807 1.00 0.79 C ATOM 439 CG TRP A 123 -0.239 10.746 0.316 1.00 0.86 C ATOM 440 CD1 TRP A 123 -0.640 11.923 -0.213 1.00 1.18 C ATOM 441 CD2 TRP A 123 1.223 10.804 0.347 1.00 0.94 C ATOM 442 NE1 TRP A 123 0.460 12.707 -0.493 1.00 1.26 N ATOM 443 CE2 TRP A 123 1.634 12.084 -0.129 1.00 1.05 C ATOM 444 CE3 TRP A 123 2.246 9.919 0.753 1.00 1.29 C ATOM 445 CZ2 TRP A 123 2.978 12.488 -0.148 1.00 1.19 C ATOM 446 CZ3 TRP A 123 3.596 10.316 0.754 1.00 1.57 C ATOM 447 CH2 TRP A 123 3.962 11.602 0.319 1.00 1.42 C ATOM 0 H TRP A 123 -1.385 8.671 -1.757 1.00 0.60 H new ATOM 0 HA TRP A 123 -0.109 7.829 0.786 1.00 0.64 H new ATOM 0 HB2 TRP A 123 -2.185 9.974 0.585 1.00 0.79 H new ATOM 0 HB3 TRP A 123 -1.074 9.618 1.892 1.00 0.79 H new ATOM 0 HD1 TRP A 123 -1.667 12.207 -0.390 1.00 1.18 H new ATOM 0 HE1 TRP A 123 0.410 13.633 -0.917 1.00 1.26 H new ATOM 0 HE3 TRP A 123 1.987 8.919 1.069 1.00 1.29 H new ATOM 0 HZ2 TRP A 123 3.251 13.466 -0.516 1.00 1.19 H new ATOM 0 HZ3 TRP A 123 4.357 9.628 1.091 1.00 1.57 H new ATOM 0 HH2 TRP A 123 4.998 11.908 0.344 1.00 1.42 H new ATOM 458 N LEU A 124 -1.914 6.103 0.924 1.00 0.52 N ATOM 459 CA LEU A 124 -2.956 5.072 1.078 1.00 0.63 C ATOM 460 C LEU A 124 -3.198 4.801 2.573 1.00 0.73 C ATOM 461 O LEU A 124 -2.350 5.139 3.391 1.00 0.70 O ATOM 462 CB LEU A 124 -2.576 3.801 0.276 1.00 0.64 C ATOM 463 CG LEU A 124 -1.717 4.032 -0.997 1.00 0.58 C ATOM 464 CD1 LEU A 124 -1.203 2.712 -1.561 1.00 0.77 C ATOM 465 CD2 LEU A 124 -2.508 4.762 -2.084 1.00 0.65 C ATOM 0 H LEU A 124 -0.981 5.779 1.178 1.00 0.52 H new ATOM 0 HA LEU A 124 -3.900 5.424 0.662 1.00 0.63 H new ATOM 0 HB2 LEU A 124 -2.034 3.126 0.938 1.00 0.64 H new ATOM 0 HB3 LEU A 124 -3.494 3.292 -0.017 1.00 0.64 H new ATOM 0 HG LEU A 124 -0.872 4.651 -0.696 1.00 0.58 H new ATOM 0 HD11 LEU A 124 -0.605 2.905 -2.452 1.00 0.77 H new ATOM 0 HD12 LEU A 124 -0.588 2.211 -0.813 1.00 0.77 H new ATOM 0 HD13 LEU A 124 -2.048 2.075 -1.822 1.00 0.77 H new ATOM 0 HD21 LEU A 124 -1.875 4.906 -2.960 1.00 0.65 H new ATOM 0 HD22 LEU A 124 -3.380 4.169 -2.360 1.00 0.65 H new ATOM 0 HD23 LEU A 124 -2.833 5.732 -1.708 1.00 0.65 H new ATOM 477 N LYS A 125 -4.316 4.180 2.972 1.00 0.90 N ATOM 478 CA LYS A 125 -4.643 3.933 4.401 1.00 0.95 C ATOM 479 C LYS A 125 -4.855 2.442 4.771 1.00 0.87 C ATOM 480 O LYS A 125 -5.988 2.031 5.010 1.00 1.03 O ATOM 481 CB LYS A 125 -5.855 4.790 4.824 1.00 1.36 C ATOM 482 CG LYS A 125 -5.493 6.262 5.064 1.00 1.71 C ATOM 483 CD LYS A 125 -6.438 6.941 6.072 1.00 2.56 C ATOM 484 CE LYS A 125 -6.046 6.679 7.540 1.00 3.97 C ATOM 485 NZ LYS A 125 -6.534 5.393 8.107 1.00 4.66 N ATOM 0 H LYS A 125 -5.023 3.832 2.324 1.00 0.90 H new ATOM 0 HA LYS A 125 -3.760 4.235 4.965 1.00 0.95 H new ATOM 0 HB2 LYS A 125 -6.622 4.731 4.052 1.00 1.36 H new ATOM 0 HB3 LYS A 125 -6.287 4.375 5.734 1.00 1.36 H new ATOM 0 HG2 LYS A 125 -4.468 6.326 5.430 1.00 1.71 H new ATOM 0 HG3 LYS A 125 -5.528 6.801 4.117 1.00 1.71 H new ATOM 0 HD2 LYS A 125 -6.442 8.016 5.890 1.00 2.56 H new ATOM 0 HD3 LYS A 125 -7.455 6.585 5.905 1.00 2.56 H new ATOM 0 HE2 LYS A 125 -4.959 6.703 7.619 1.00 3.97 H new ATOM 0 HE3 LYS A 125 -6.428 7.496 8.152 1.00 3.97 H new ATOM 0 HZ1 LYS A 125 -6.544 5.453 9.145 1.00 4.66 H new ATOM 0 HZ2 LYS A 125 -7.497 5.205 7.762 1.00 4.66 H new ATOM 0 HZ3 LYS A 125 -5.903 4.621 7.811 1.00 4.66 H new ATOM 499 N PRO A 126 -3.793 1.628 4.868 1.00 0.85 N ATOM 500 CA PRO A 126 -3.889 0.174 5.028 1.00 1.23 C ATOM 501 C PRO A 126 -4.027 -0.313 6.489 1.00 1.68 C ATOM 502 O PRO A 126 -3.399 -1.307 6.815 1.00 3.34 O ATOM 503 CB PRO A 126 -2.609 -0.319 4.342 1.00 1.42 C ATOM 504 CG PRO A 126 -1.608 0.739 4.788 1.00 1.11 C ATOM 505 CD PRO A 126 -2.417 2.008 4.580 1.00 0.85 C ATOM 0 HA PRO A 126 -4.803 -0.227 4.590 1.00 1.23 H new ATOM 0 HB2 PRO A 126 -2.325 -1.319 4.671 1.00 1.42 H new ATOM 0 HB3 PRO A 126 -2.712 -0.357 3.258 1.00 1.42 H new ATOM 0 HG2 PRO A 126 -1.305 0.608 5.827 1.00 1.11 H new ATOM 0 HG3 PRO A 126 -0.699 0.726 4.187 1.00 1.11 H new ATOM 0 HD2 PRO A 126 -2.080 2.804 5.244 1.00 0.85 H new ATOM 0 HD3 PRO A 126 -2.315 2.379 3.560 1.00 0.85 H new ATOM 513 N THR A 127 -4.805 0.386 7.339 1.00 0.82 N ATOM 514 CA THR A 127 -4.995 0.310 8.818 1.00 0.82 C ATOM 515 C THR A 127 -4.746 -1.067 9.439 1.00 0.67 C ATOM 516 O THR A 127 -5.049 -2.068 8.814 1.00 0.54 O ATOM 517 CB THR A 127 -6.445 0.700 9.150 1.00 0.87 C ATOM 518 OG1 THR A 127 -6.887 1.804 8.382 1.00 1.07 O ATOM 519 CG2 THR A 127 -6.789 0.991 10.609 1.00 0.91 C ATOM 0 H THR A 127 -5.401 1.122 6.959 1.00 0.82 H new ATOM 0 HA THR A 127 -4.252 0.987 9.238 1.00 0.82 H new ATOM 0 HB THR A 127 -6.967 -0.223 8.896 1.00 0.87 H new ATOM 0 HG1 THR A 127 -7.841 1.702 8.182 1.00 1.07 H new ATOM 0 HG21 THR A 127 -7.844 1.252 10.689 1.00 0.91 H new ATOM 0 HG22 THR A 127 -6.587 0.107 11.214 1.00 0.91 H new ATOM 0 HG23 THR A 127 -6.182 1.822 10.967 1.00 0.91 H new ATOM 527 N VAL A 128 -4.325 -1.142 10.703 1.00 0.76 N ATOM 528 CA VAL A 128 -4.099 -2.411 11.437 1.00 0.63 C ATOM 529 C VAL A 128 -5.230 -3.461 11.280 1.00 0.55 C ATOM 530 O VAL A 128 -4.960 -4.652 11.137 1.00 0.57 O ATOM 531 CB VAL A 128 -3.820 -2.151 12.934 1.00 0.75 C ATOM 532 CG1 VAL A 128 -5.065 -1.584 13.620 1.00 0.83 C ATOM 533 CG2 VAL A 128 -3.329 -3.414 13.669 1.00 0.77 C ATOM 0 H VAL A 128 -4.125 -0.314 11.264 1.00 0.76 H new ATOM 0 HA VAL A 128 -3.217 -2.847 10.968 1.00 0.63 H new ATOM 0 HB VAL A 128 -3.016 -1.417 12.986 1.00 0.75 H new ATOM 0 HG11 VAL A 128 -4.851 -1.407 14.674 1.00 0.83 H new ATOM 0 HG12 VAL A 128 -5.347 -0.645 13.144 1.00 0.83 H new ATOM 0 HG13 VAL A 128 -5.885 -2.296 13.531 1.00 0.83 H new ATOM 0 HG21 VAL A 128 -3.147 -3.177 14.717 1.00 0.77 H new ATOM 0 HG22 VAL A 128 -4.087 -4.194 13.599 1.00 0.77 H new ATOM 0 HG23 VAL A 128 -2.404 -3.765 13.211 1.00 0.77 H new ATOM 543 N ASN A 129 -6.496 -3.014 11.270 1.00 0.62 N ATOM 544 CA ASN A 129 -7.694 -3.852 11.114 1.00 0.72 C ATOM 545 C ASN A 129 -8.011 -4.214 9.659 1.00 0.67 C ATOM 546 O ASN A 129 -8.916 -5.007 9.409 1.00 0.85 O ATOM 547 CB ASN A 129 -8.892 -3.146 11.773 1.00 0.96 C ATOM 548 CG ASN A 129 -8.799 -3.176 13.292 1.00 1.14 C ATOM 549 OD1 ASN A 129 -8.990 -4.207 13.919 1.00 1.27 O ATOM 550 ND2 ASN A 129 -8.500 -2.057 13.927 1.00 1.47 N ATOM 0 H ASN A 129 -6.721 -2.024 11.374 1.00 0.62 H new ATOM 0 HA ASN A 129 -7.490 -4.801 11.611 1.00 0.72 H new ATOM 0 HB2 ASN A 129 -8.937 -2.112 11.432 1.00 0.96 H new ATOM 0 HB3 ASN A 129 -9.817 -3.627 11.456 1.00 0.96 H new ATOM 0 HD21 ASN A 129 -8.428 -2.052 14.944 1.00 1.47 H new ATOM 0 HD22 ASN A 129 -8.341 -1.198 13.400 1.00 1.47 H new ATOM 557 N GLU A 130 -7.309 -3.612 8.701 1.00 0.52 N ATOM 558 CA GLU A 130 -7.764 -3.448 7.333 1.00 0.50 C ATOM 559 C GLU A 130 -6.646 -3.767 6.359 1.00 0.49 C ATOM 560 O GLU A 130 -5.689 -4.464 6.681 1.00 0.76 O ATOM 561 CB GLU A 130 -8.235 -1.994 7.132 1.00 0.72 C ATOM 562 CG GLU A 130 -9.252 -1.622 8.190 1.00 0.73 C ATOM 563 CD GLU A 130 -9.907 -0.290 7.828 1.00 1.22 C ATOM 564 OE1 GLU A 130 -9.254 0.753 8.089 1.00 2.13 O ATOM 565 OE2 GLU A 130 -11.013 -0.322 7.256 1.00 1.83 O ATOM 0 H GLU A 130 -6.383 -3.216 8.865 1.00 0.52 H new ATOM 0 HA GLU A 130 -8.589 -4.135 7.144 1.00 0.50 H new ATOM 0 HB2 GLU A 130 -7.382 -1.317 7.184 1.00 0.72 H new ATOM 0 HB3 GLU A 130 -8.673 -1.880 6.140 1.00 0.72 H new ATOM 0 HG2 GLU A 130 -10.010 -2.401 8.270 1.00 0.73 H new ATOM 0 HG3 GLU A 130 -8.768 -1.548 9.164 1.00 0.73 H new ATOM 572 N VAL A 131 -6.817 -3.250 5.151 1.00 0.43 N ATOM 573 CA VAL A 131 -5.961 -3.294 3.986 1.00 0.46 C ATOM 574 C VAL A 131 -6.373 -2.106 3.109 1.00 0.58 C ATOM 575 O VAL A 131 -7.529 -1.682 3.161 1.00 0.79 O ATOM 576 CB VAL A 131 -6.127 -4.608 3.212 1.00 0.51 C ATOM 577 CG1 VAL A 131 -5.603 -5.789 4.033 1.00 0.48 C ATOM 578 CG2 VAL A 131 -7.584 -4.882 2.813 1.00 0.62 C ATOM 0 H VAL A 131 -7.667 -2.726 4.945 1.00 0.43 H new ATOM 0 HA VAL A 131 -4.913 -3.239 4.279 1.00 0.46 H new ATOM 0 HB VAL A 131 -5.544 -4.499 2.298 1.00 0.51 H new ATOM 0 HG11 VAL A 131 -5.730 -6.711 3.466 1.00 0.48 H new ATOM 0 HG12 VAL A 131 -4.545 -5.640 4.251 1.00 0.48 H new ATOM 0 HG13 VAL A 131 -6.160 -5.858 4.967 1.00 0.48 H new ATOM 0 HG21 VAL A 131 -7.641 -5.824 2.268 1.00 0.62 H new ATOM 0 HG22 VAL A 131 -8.201 -4.943 3.709 1.00 0.62 H new ATOM 0 HG23 VAL A 131 -7.946 -4.073 2.178 1.00 0.62 H new ATOM 588 N ALA A 132 -5.469 -1.580 2.285 1.00 0.47 N ATOM 589 CA ALA A 132 -5.816 -0.570 1.281 1.00 0.60 C ATOM 590 C ALA A 132 -5.030 -0.787 -0.009 1.00 0.49 C ATOM 591 O ALA A 132 -3.864 -1.165 0.049 1.00 0.41 O ATOM 592 CB ALA A 132 -5.586 0.833 1.850 1.00 0.79 C ATOM 0 H ALA A 132 -4.482 -1.838 2.292 1.00 0.47 H new ATOM 0 HA ALA A 132 -6.873 -0.670 1.033 1.00 0.60 H new ATOM 0 HB1 ALA A 132 -5.846 1.578 1.098 1.00 0.79 H new ATOM 0 HB2 ALA A 132 -6.210 0.975 2.732 1.00 0.79 H new ATOM 0 HB3 ALA A 132 -4.538 0.946 2.126 1.00 0.79 H new ATOM 598 N ARG A 133 -5.661 -0.535 -1.160 1.00 0.57 N ATOM 599 CA ARG A 133 -5.019 -0.651 -2.470 1.00 0.53 C ATOM 600 C ARG A 133 -4.606 0.723 -2.984 1.00 0.50 C ATOM 601 O ARG A 133 -5.349 1.692 -2.819 1.00 0.54 O ATOM 602 CB ARG A 133 -5.944 -1.356 -3.474 1.00 0.69 C ATOM 603 CG ARG A 133 -5.143 -1.999 -4.624 1.00 0.79 C ATOM 604 CD ARG A 133 -6.027 -2.588 -5.723 1.00 1.21 C ATOM 605 NE ARG A 133 -6.914 -3.648 -5.201 1.00 2.42 N ATOM 606 CZ ARG A 133 -7.896 -4.236 -5.871 1.00 3.34 C ATOM 607 NH1 ARG A 133 -8.131 -3.960 -7.137 1.00 3.52 N ATOM 608 NH2 ARG A 133 -8.664 -5.118 -5.263 1.00 4.87 N ATOM 0 H ARG A 133 -6.637 -0.243 -1.208 1.00 0.57 H new ATOM 0 HA ARG A 133 -4.122 -1.260 -2.359 1.00 0.53 H new ATOM 0 HB2 ARG A 133 -6.524 -2.122 -2.960 1.00 0.69 H new ATOM 0 HB3 ARG A 133 -6.655 -0.638 -3.882 1.00 0.69 H new ATOM 0 HG2 ARG A 133 -4.483 -1.249 -5.061 1.00 0.79 H new ATOM 0 HG3 ARG A 133 -4.507 -2.786 -4.219 1.00 0.79 H new ATOM 0 HD2 ARG A 133 -6.629 -1.796 -6.169 1.00 1.21 H new ATOM 0 HD3 ARG A 133 -5.399 -2.996 -6.515 1.00 1.21 H new ATOM 0 HE ARG A 133 -6.757 -3.955 -4.241 1.00 2.42 H new ATOM 0 HH11 ARG A 133 -7.551 -3.279 -7.627 1.00 3.52 H new ATOM 0 HH12 ARG A 133 -8.893 -4.427 -7.628 1.00 3.52 H new ATOM 0 HH21 ARG A 133 -8.502 -5.345 -4.282 1.00 4.87 H new ATOM 0 HH22 ARG A 133 -9.421 -5.573 -5.774 1.00 4.87 H new ATOM 622 N CYS A 134 -3.456 0.762 -3.641 1.00 0.47 N ATOM 623 CA CYS A 134 -3.058 1.837 -4.520 1.00 0.47 C ATOM 624 C CYS A 134 -4.050 2.007 -5.693 1.00 0.61 C ATOM 625 O CYS A 134 -4.779 1.080 -6.065 1.00 1.04 O ATOM 626 CB CYS A 134 -1.637 1.441 -4.929 1.00 0.47 C ATOM 627 SG CYS A 134 -0.604 2.691 -5.744 1.00 0.58 S ATOM 0 H CYS A 134 -2.758 0.022 -3.571 1.00 0.47 H new ATOM 0 HA CYS A 134 -3.070 2.824 -4.058 1.00 0.47 H new ATOM 0 HB2 CYS A 134 -1.113 1.107 -4.034 1.00 0.47 H new ATOM 0 HB3 CYS A 134 -1.709 0.581 -5.595 1.00 0.47 H new ATOM 632 N TRP A 135 -4.033 3.195 -6.293 1.00 0.63 N ATOM 633 CA TRP A 135 -4.632 3.436 -7.609 1.00 0.77 C ATOM 634 C TRP A 135 -3.563 3.536 -8.711 1.00 0.78 C ATOM 635 O TRP A 135 -3.896 3.525 -9.890 1.00 0.95 O ATOM 636 CB TRP A 135 -5.470 4.718 -7.539 1.00 0.83 C ATOM 637 CG TRP A 135 -4.685 5.990 -7.633 1.00 0.86 C ATOM 638 CD1 TRP A 135 -4.033 6.603 -6.619 1.00 0.93 C ATOM 639 CD2 TRP A 135 -4.276 6.699 -8.848 1.00 1.01 C ATOM 640 NE1 TRP A 135 -3.403 7.722 -7.114 1.00 1.07 N ATOM 641 CE2 TRP A 135 -3.461 7.804 -8.481 1.00 1.11 C ATOM 642 CE3 TRP A 135 -4.387 6.436 -10.229 1.00 1.14 C ATOM 643 CZ2 TRP A 135 -2.816 8.628 -9.416 1.00 1.30 C ATOM 644 CZ3 TRP A 135 -3.635 7.163 -11.166 1.00 1.33 C ATOM 645 CH2 TRP A 135 -2.881 8.282 -10.775 1.00 1.40 C ATOM 0 H TRP A 135 -3.602 4.023 -5.881 1.00 0.63 H new ATOM 0 HA TRP A 135 -5.270 2.592 -7.869 1.00 0.77 H new ATOM 0 HB2 TRP A 135 -6.203 4.700 -8.345 1.00 0.83 H new ATOM 0 HB3 TRP A 135 -6.027 4.720 -6.602 1.00 0.83 H new ATOM 0 HD1 TRP A 135 -4.010 6.270 -5.592 1.00 0.93 H new ATOM 0 HE1 TRP A 135 -2.942 8.416 -6.526 1.00 1.07 H new ATOM 0 HE3 TRP A 135 -5.060 5.664 -10.571 1.00 1.14 H new ATOM 0 HZ2 TRP A 135 -2.281 9.510 -9.097 1.00 1.30 H new ATOM 0 HZ3 TRP A 135 -3.636 6.858 -12.202 1.00 1.33 H new ATOM 0 HH2 TRP A 135 -2.356 8.871 -11.513 1.00 1.40 H new ATOM 656 N GLU A 136 -2.293 3.660 -8.317 1.00 0.67 N ATOM 657 CA GLU A 136 -1.158 3.846 -9.209 1.00 0.75 C ATOM 658 C GLU A 136 -0.605 2.458 -9.610 1.00 0.82 C ATOM 659 O GLU A 136 -1.060 1.882 -10.596 1.00 1.03 O ATOM 660 CB GLU A 136 -0.127 4.761 -8.538 1.00 0.70 C ATOM 661 CG GLU A 136 -0.287 6.239 -8.900 1.00 0.69 C ATOM 662 CD GLU A 136 0.548 6.574 -10.125 1.00 0.92 C ATOM 663 OE1 GLU A 136 0.437 5.812 -11.102 1.00 1.46 O ATOM 664 OE2 GLU A 136 1.412 7.480 -10.032 1.00 1.55 O ATOM 0 H GLU A 136 -2.023 3.632 -7.334 1.00 0.67 H new ATOM 0 HA GLU A 136 -1.450 4.346 -10.133 1.00 0.75 H new ATOM 0 HB2 GLU A 136 -0.206 4.651 -7.456 1.00 0.70 H new ATOM 0 HB3 GLU A 136 0.874 4.434 -8.820 1.00 0.70 H new ATOM 0 HG2 GLU A 136 -1.336 6.462 -9.094 1.00 0.69 H new ATOM 0 HG3 GLU A 136 0.021 6.862 -8.060 1.00 0.69 H new ATOM 671 N CYS A 137 0.312 1.864 -8.819 1.00 0.76 N ATOM 672 CA CYS A 137 0.848 0.528 -9.077 1.00 0.84 C ATOM 673 C CYS A 137 -0.132 -0.626 -8.746 1.00 0.96 C ATOM 674 O CYS A 137 0.137 -1.791 -9.067 1.00 1.43 O ATOM 675 CB CYS A 137 2.178 0.370 -8.340 1.00 0.82 C ATOM 676 SG CYS A 137 2.131 0.318 -6.519 1.00 0.89 S ATOM 0 H CYS A 137 0.697 2.305 -7.984 1.00 0.76 H new ATOM 0 HA CYS A 137 1.007 0.447 -10.152 1.00 0.84 H new ATOM 0 HB2 CYS A 137 2.650 -0.548 -8.690 1.00 0.82 H new ATOM 0 HB3 CYS A 137 2.826 1.195 -8.636 1.00 0.82 H new ATOM 681 N GLY A 138 -1.191 -0.321 -7.994 1.00 0.66 N ATOM 682 CA GLY A 138 -2.319 -1.208 -7.679 1.00 0.64 C ATOM 683 C GLY A 138 -1.974 -2.404 -6.805 1.00 0.66 C ATOM 684 O GLY A 138 -2.727 -3.376 -6.765 1.00 0.74 O ATOM 0 H GLY A 138 -1.293 0.599 -7.565 1.00 0.66 H new ATOM 0 HA2 GLY A 138 -3.092 -0.624 -7.180 1.00 0.64 H new ATOM 0 HA3 GLY A 138 -2.747 -1.572 -8.613 1.00 0.64 H new ATOM 688 N SER A 139 -0.845 -2.366 -6.092 1.00 0.66 N ATOM 689 CA SER A 139 -0.683 -3.309 -4.989 1.00 0.64 C ATOM 690 C SER A 139 -1.690 -3.009 -3.882 1.00 0.56 C ATOM 691 O SER A 139 -1.975 -1.851 -3.584 1.00 0.62 O ATOM 692 CB SER A 139 0.764 -3.440 -4.485 1.00 0.81 C ATOM 693 OG SER A 139 0.983 -3.005 -3.179 1.00 1.75 O ATOM 0 H SER A 139 -0.066 -1.726 -6.248 1.00 0.66 H new ATOM 0 HA SER A 139 -0.906 -4.302 -5.379 1.00 0.64 H new ATOM 0 HB2 SER A 139 1.063 -4.486 -4.557 1.00 0.81 H new ATOM 0 HB3 SER A 139 1.416 -2.876 -5.152 1.00 0.81 H new ATOM 0 HG SER A 139 1.274 -2.069 -3.190 1.00 1.75 H new ATOM 699 N VAL A 140 -2.219 -4.067 -3.274 1.00 0.55 N ATOM 700 CA VAL A 140 -2.841 -3.990 -1.953 1.00 0.54 C ATOM 701 C VAL A 140 -1.723 -3.972 -0.911 1.00 0.46 C ATOM 702 O VAL A 140 -0.736 -4.681 -1.066 1.00 0.49 O ATOM 703 CB VAL A 140 -3.815 -5.165 -1.721 1.00 0.65 C ATOM 704 CG1 VAL A 140 -4.556 -5.073 -0.376 1.00 0.69 C ATOM 705 CG2 VAL A 140 -4.882 -5.239 -2.831 1.00 0.79 C ATOM 0 H VAL A 140 -2.229 -5.002 -3.682 1.00 0.55 H new ATOM 0 HA VAL A 140 -3.437 -3.081 -1.872 1.00 0.54 H new ATOM 0 HB VAL A 140 -3.188 -6.057 -1.726 1.00 0.65 H new ATOM 0 HG11 VAL A 140 -5.226 -5.926 -0.270 1.00 0.69 H new ATOM 0 HG12 VAL A 140 -3.832 -5.077 0.439 1.00 0.69 H new ATOM 0 HG13 VAL A 140 -5.136 -4.151 -0.342 1.00 0.69 H new ATOM 0 HG21 VAL A 140 -5.551 -6.077 -2.637 1.00 0.79 H new ATOM 0 HG22 VAL A 140 -5.456 -4.312 -2.846 1.00 0.79 H new ATOM 0 HG23 VAL A 140 -4.394 -5.380 -3.796 1.00 0.79 H new ATOM 715 N TYR A 141 -1.899 -3.185 0.145 1.00 0.43 N ATOM 716 CA TYR A 141 -0.998 -2.979 1.274 1.00 0.40 C ATOM 717 C TYR A 141 -1.704 -3.320 2.580 1.00 0.45 C ATOM 718 O TYR A 141 -2.929 -3.222 2.675 1.00 0.65 O ATOM 719 CB TYR A 141 -0.590 -1.502 1.345 1.00 0.39 C ATOM 720 CG TYR A 141 0.317 -1.085 0.223 1.00 0.38 C ATOM 721 CD1 TYR A 141 -0.224 -0.685 -1.011 1.00 1.70 C ATOM 722 CD2 TYR A 141 1.707 -1.181 0.397 1.00 1.57 C ATOM 723 CE1 TYR A 141 0.632 -0.419 -2.088 1.00 1.73 C ATOM 724 CE2 TYR A 141 2.569 -0.877 -0.667 1.00 1.57 C ATOM 725 CZ TYR A 141 2.032 -0.507 -1.921 1.00 0.47 C ATOM 726 OH TYR A 141 2.840 -0.347 -3.002 1.00 0.57 O ATOM 0 H TYR A 141 -2.748 -2.627 0.241 1.00 0.43 H new ATOM 0 HA TYR A 141 -0.126 -3.618 1.135 1.00 0.40 H new ATOM 0 HB2 TYR A 141 -1.487 -0.883 1.328 1.00 0.39 H new ATOM 0 HB3 TYR A 141 -0.091 -1.315 2.296 1.00 0.39 H new ATOM 0 HD1 TYR A 141 -1.293 -0.583 -1.128 1.00 1.70 H new ATOM 0 HD2 TYR A 141 2.112 -1.489 1.350 1.00 1.57 H new ATOM 0 HE1 TYR A 141 0.220 -0.146 -3.048 1.00 1.73 H new ATOM 0 HE2 TYR A 141 3.639 -0.925 -0.529 1.00 1.57 H new ATOM 0 HH TYR A 141 2.861 0.599 -3.257 1.00 0.57 H new ATOM 736 N LYS A 142 -0.924 -3.646 3.609 1.00 0.34 N ATOM 737 CA LYS A 142 -1.408 -3.869 4.965 1.00 0.28 C ATOM 738 C LYS A 142 -0.520 -3.218 6.034 1.00 0.34 C ATOM 739 O LYS A 142 0.687 -3.038 5.867 1.00 0.41 O ATOM 740 CB LYS A 142 -1.523 -5.375 5.196 1.00 0.39 C ATOM 741 CG LYS A 142 -2.516 -5.609 6.325 1.00 0.44 C ATOM 742 CD LYS A 142 -2.815 -7.072 6.579 1.00 0.90 C ATOM 743 CE LYS A 142 -3.994 -7.045 7.548 1.00 1.06 C ATOM 744 NZ LYS A 142 -4.590 -8.389 7.697 1.00 2.27 N ATOM 0 H LYS A 142 0.085 -3.765 3.518 1.00 0.34 H new ATOM 0 HA LYS A 142 -2.383 -3.392 5.062 1.00 0.28 H new ATOM 0 HB2 LYS A 142 -1.857 -5.875 4.287 1.00 0.39 H new ATOM 0 HB3 LYS A 142 -0.551 -5.796 5.452 1.00 0.39 H new ATOM 0 HG2 LYS A 142 -2.125 -5.163 7.239 1.00 0.44 H new ATOM 0 HG3 LYS A 142 -3.447 -5.092 6.091 1.00 0.44 H new ATOM 0 HD2 LYS A 142 -3.069 -7.594 5.656 1.00 0.90 H new ATOM 0 HD3 LYS A 142 -1.956 -7.586 7.010 1.00 0.90 H new ATOM 0 HE2 LYS A 142 -3.662 -6.681 8.520 1.00 1.06 H new ATOM 0 HE3 LYS A 142 -4.749 -6.347 7.188 1.00 1.06 H new ATOM 0 HZ1 LYS A 142 -5.626 -8.316 7.649 1.00 2.27 H new ATOM 0 HZ2 LYS A 142 -4.251 -9.006 6.932 1.00 2.27 H new ATOM 0 HZ3 LYS A 142 -4.313 -8.792 8.615 1.00 2.27 H new ATOM 758 N LEU A 143 -1.128 -2.884 7.164 1.00 0.40 N ATOM 759 CA LEU A 143 -0.474 -2.355 8.354 1.00 0.42 C ATOM 760 C LEU A 143 -0.559 -3.389 9.478 1.00 0.36 C ATOM 761 O LEU A 143 -1.227 -4.419 9.381 1.00 0.51 O ATOM 762 CB LEU A 143 -1.159 -1.015 8.650 1.00 0.64 C ATOM 763 CG LEU A 143 -0.540 0.012 9.606 1.00 0.80 C ATOM 764 CD1 LEU A 143 -1.260 1.335 9.356 1.00 0.69 C ATOM 765 CD2 LEU A 143 -0.721 -0.340 11.080 1.00 1.04 C ATOM 0 H LEU A 143 -2.137 -2.979 7.282 1.00 0.40 H new ATOM 0 HA LEU A 143 0.593 -2.170 8.229 1.00 0.42 H new ATOM 0 HB2 LEU A 143 -1.297 -0.512 7.693 1.00 0.64 H new ATOM 0 HB3 LEU A 143 -2.152 -1.246 9.035 1.00 0.64 H new ATOM 0 HG LEU A 143 0.532 0.048 9.413 1.00 0.80 H new ATOM 0 HD11 LEU A 143 -0.853 2.101 10.016 1.00 0.69 H new ATOM 0 HD12 LEU A 143 -1.117 1.637 8.318 1.00 0.69 H new ATOM 0 HD13 LEU A 143 -2.325 1.213 9.555 1.00 0.69 H new ATOM 0 HD21 LEU A 143 -0.259 0.430 11.697 1.00 1.04 H new ATOM 0 HD22 LEU A 143 -1.784 -0.401 11.312 1.00 1.04 H new ATOM 0 HD23 LEU A 143 -0.250 -1.301 11.285 1.00 1.04 H new ATOM 777 N ASN A 144 0.213 -3.141 10.513 1.00 0.55 N ATOM 778 CA ASN A 144 0.509 -4.081 11.600 1.00 0.64 C ATOM 779 C ASN A 144 0.218 -3.507 13.015 1.00 0.74 C ATOM 780 O ASN A 144 0.059 -2.307 13.170 1.00 0.88 O ATOM 781 CB ASN A 144 1.974 -4.544 11.429 1.00 0.69 C ATOM 782 CG ASN A 144 2.939 -3.501 10.915 1.00 0.92 C ATOM 783 OD1 ASN A 144 2.783 -2.315 11.133 1.00 1.45 O ATOM 784 ND2 ASN A 144 3.963 -3.946 10.221 1.00 0.92 N ATOM 0 H ASN A 144 0.678 -2.242 10.636 1.00 0.55 H new ATOM 0 HA ASN A 144 -0.163 -4.936 11.529 1.00 0.64 H new ATOM 0 HB2 ASN A 144 2.336 -4.903 12.392 1.00 0.69 H new ATOM 0 HB3 ASN A 144 1.989 -5.393 10.746 1.00 0.69 H new ATOM 0 HD21 ASN A 144 4.651 -3.291 9.850 1.00 0.92 H new ATOM 0 HD22 ASN A 144 4.069 -4.946 10.053 1.00 0.92 H new ATOM 791 N PRO A 145 0.161 -4.323 14.089 1.00 0.87 N ATOM 792 CA PRO A 145 -0.184 -3.871 15.458 1.00 1.05 C ATOM 793 C PRO A 145 0.909 -3.062 16.177 1.00 1.20 C ATOM 794 O PRO A 145 0.740 -2.643 17.317 1.00 1.45 O ATOM 795 CB PRO A 145 -0.401 -5.160 16.245 1.00 1.27 C ATOM 796 CG PRO A 145 0.622 -6.064 15.577 1.00 1.30 C ATOM 797 CD PRO A 145 0.404 -5.757 14.108 1.00 1.05 C ATOM 0 HA PRO A 145 -1.043 -3.202 15.394 1.00 1.05 H new ATOM 0 HB2 PRO A 145 -0.210 -5.033 17.311 1.00 1.27 H new ATOM 0 HB3 PRO A 145 -1.418 -5.540 16.147 1.00 1.27 H new ATOM 0 HG2 PRO A 145 1.639 -5.834 15.895 1.00 1.30 H new ATOM 0 HG3 PRO A 145 0.447 -7.116 15.804 1.00 1.30 H new ATOM 0 HD2 PRO A 145 1.275 -6.024 13.509 1.00 1.05 H new ATOM 0 HD3 PRO A 145 -0.443 -6.312 13.704 1.00 1.05 H new ATOM 805 N VAL A 146 2.057 -2.943 15.529 1.00 1.27 N ATOM 806 CA VAL A 146 3.280 -2.278 15.979 1.00 1.52 C ATOM 807 C VAL A 146 3.041 -0.899 16.639 1.00 2.07 C ATOM 808 O VAL A 146 2.243 -0.087 16.173 1.00 2.75 O ATOM 809 CB VAL A 146 4.296 -2.191 14.821 1.00 1.27 C ATOM 810 CG1 VAL A 146 3.816 -1.225 13.754 1.00 1.57 C ATOM 811 CG2 VAL A 146 5.687 -1.872 15.341 1.00 1.81 C ATOM 0 H VAL A 146 2.172 -3.341 14.597 1.00 1.27 H new ATOM 0 HA VAL A 146 3.697 -2.898 16.773 1.00 1.52 H new ATOM 0 HB VAL A 146 4.369 -3.166 14.340 1.00 1.27 H new ATOM 0 HG11 VAL A 146 4.548 -1.180 12.948 1.00 1.57 H new ATOM 0 HG12 VAL A 146 2.860 -1.567 13.357 1.00 1.57 H new ATOM 0 HG13 VAL A 146 3.694 -0.233 14.189 1.00 1.57 H new ATOM 0 HG21 VAL A 146 6.384 -1.816 14.505 1.00 1.81 H new ATOM 0 HG22 VAL A 146 5.670 -0.915 15.863 1.00 1.81 H new ATOM 0 HG23 VAL A 146 6.007 -2.655 16.028 1.00 1.81 H new ATOM 821 N GLY A 147 3.794 -0.621 17.711 1.00 2.07 N ATOM 822 CA GLY A 147 3.751 0.594 18.507 1.00 2.33 C ATOM 823 C GLY A 147 5.021 0.726 19.342 1.00 2.33 C ATOM 824 O GLY A 147 5.704 -0.248 19.655 1.00 2.28 O ATOM 0 H GLY A 147 4.488 -1.283 18.059 1.00 2.07 H new ATOM 0 HA2 GLY A 147 3.645 1.461 17.854 1.00 2.33 H new ATOM 0 HA3 GLY A 147 2.878 0.578 19.160 1.00 2.33 H new TER 828 GLY A 147 HETATM 829 ZN ZN A 156 1.802 2.572 -5.498 1.00 0.65 ZN