USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=15 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 115:sc= 1.83 USER MOD Set 1.2: A 141 TYR OH : rot 82:sc= 1.64 USER MOD Set 2.1: A 125 LYS NZ :NH3+ -164:sc= 1.63 (180deg=0.58) USER MOD Set 2.2: A 127 THR OG1 : rot 177:sc= 1.81 USER MOD Single : A 94 MET CE :methyl 161:sc= 0 (180deg=-0.555) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -139:sc= 0.0413 USER MOD Single : A 103 TYR OH : rot -7:sc= 1.18 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 63:sc= 1.22 USER MOD Single : A 114 SER OG : rot 180:sc= -0.189 USER MOD Single : A 118 SER OG : rot -50:sc= -1! USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.0977 USER MOD Single : A 122 MET CE :methyl 169:sc= -2.88 (180deg=-4.1) USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 142 LYS NZ :NH3+ -168:sc= 1.22 (180deg=1.09) USER MOD Single : A 144 ASN : amide:sc= -3.07! C(o=-3.1!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 94 -6.043 -8.040 -0.428 1.00 0.60 N ATOM 2 CA MET A 94 -6.661 -7.431 0.741 1.00 0.85 C ATOM 3 C MET A 94 -5.942 -8.046 1.940 1.00 1.27 C ATOM 4 O MET A 94 -4.958 -7.477 2.379 1.00 2.89 O ATOM 5 CB MET A 94 -8.173 -7.649 0.819 1.00 0.65 C ATOM 6 CG MET A 94 -8.928 -7.145 -0.389 1.00 0.77 C ATOM 7 SD MET A 94 -10.701 -6.879 -0.160 1.00 1.18 S ATOM 8 CE MET A 94 -10.670 -5.280 0.688 1.00 2.52 C ATOM 0 HA MET A 94 -6.556 -6.347 0.704 1.00 0.85 H new ATOM 0 HB2 MET A 94 -8.371 -8.714 0.940 1.00 0.65 H new ATOM 0 HB3 MET A 94 -8.557 -7.150 1.709 1.00 0.65 H new ATOM 0 HG2 MET A 94 -8.478 -6.205 -0.708 1.00 0.77 H new ATOM 0 HG3 MET A 94 -8.790 -7.857 -1.203 1.00 0.77 H new ATOM 0 HE1 MET A 94 -11.649 -4.807 0.609 1.00 2.52 H new ATOM 0 HE2 MET A 94 -10.424 -5.430 1.739 1.00 2.52 H new ATOM 0 HE3 MET A 94 -9.919 -4.638 0.228 1.00 2.52 H new ATOM 18 N LYS A 95 -6.331 -9.274 2.327 1.00 1.18 N ATOM 19 CA LYS A 95 -5.670 -10.199 3.274 1.00 1.06 C ATOM 20 C LYS A 95 -4.421 -9.677 3.989 1.00 0.90 C ATOM 21 O LYS A 95 -4.487 -9.382 5.181 1.00 1.20 O ATOM 22 CB LYS A 95 -5.435 -11.566 2.587 1.00 1.22 C ATOM 23 CG LYS A 95 -4.697 -11.547 1.231 1.00 1.29 C ATOM 24 CD LYS A 95 -3.390 -12.351 1.273 1.00 1.30 C ATOM 25 CE LYS A 95 -2.529 -12.166 0.018 1.00 1.49 C ATOM 26 NZ LYS A 95 -3.028 -12.919 -1.160 1.00 3.40 N ATOM 0 H LYS A 95 -7.189 -9.682 1.955 1.00 1.18 H new ATOM 0 HA LYS A 95 -6.370 -10.310 4.102 1.00 1.06 H new ATOM 0 HB2 LYS A 95 -4.870 -12.198 3.272 1.00 1.22 H new ATOM 0 HB3 LYS A 95 -6.404 -12.043 2.440 1.00 1.22 H new ATOM 0 HG2 LYS A 95 -5.349 -11.955 0.459 1.00 1.29 H new ATOM 0 HG3 LYS A 95 -4.479 -10.516 0.952 1.00 1.29 H new ATOM 0 HD2 LYS A 95 -2.814 -12.051 2.149 1.00 1.30 H new ATOM 0 HD3 LYS A 95 -3.625 -13.409 1.392 1.00 1.30 H new ATOM 0 HE2 LYS A 95 -2.486 -11.106 -0.230 1.00 1.49 H new ATOM 0 HE3 LYS A 95 -1.509 -12.483 0.237 1.00 1.49 H new ATOM 0 HZ1 LYS A 95 -2.400 -12.749 -1.972 1.00 3.40 H new ATOM 0 HZ2 LYS A 95 -3.044 -13.936 -0.941 1.00 3.40 H new ATOM 0 HZ3 LYS A 95 -3.990 -12.600 -1.394 1.00 3.40 H new ATOM 40 N ASP A 96 -3.329 -9.650 3.237 1.00 0.90 N ATOM 41 CA ASP A 96 -1.941 -9.480 3.624 1.00 0.85 C ATOM 42 C ASP A 96 -1.052 -9.581 2.350 1.00 0.95 C ATOM 43 O ASP A 96 -0.685 -10.674 1.906 1.00 1.32 O ATOM 44 CB ASP A 96 -1.610 -10.514 4.691 1.00 0.95 C ATOM 45 CG ASP A 96 -0.159 -10.407 5.162 1.00 1.22 C ATOM 46 OD1 ASP A 96 0.447 -9.347 4.876 1.00 2.05 O ATOM 47 OD2 ASP A 96 0.288 -11.353 5.838 1.00 2.22 O ATOM 0 H ASP A 96 -3.408 -9.760 2.226 1.00 0.90 H new ATOM 0 HA ASP A 96 -1.750 -8.500 4.061 1.00 0.85 H new ATOM 0 HB2 ASP A 96 -2.278 -10.383 5.542 1.00 0.95 H new ATOM 0 HB3 ASP A 96 -1.790 -11.514 4.295 1.00 0.95 H new ATOM 52 N PRO A 97 -0.900 -8.454 1.634 1.00 0.71 N ATOM 53 CA PRO A 97 -0.139 -8.296 0.392 1.00 0.70 C ATOM 54 C PRO A 97 1.271 -7.750 0.616 1.00 0.65 C ATOM 55 O PRO A 97 2.218 -8.157 -0.052 1.00 0.94 O ATOM 56 CB PRO A 97 -0.940 -7.245 -0.392 1.00 0.66 C ATOM 57 CG PRO A 97 -1.585 -6.386 0.692 1.00 0.57 C ATOM 58 CD PRO A 97 -1.908 -7.425 1.729 1.00 0.67 C ATOM 0 HA PRO A 97 -0.017 -9.258 -0.107 1.00 0.70 H new ATOM 0 HB2 PRO A 97 -0.294 -6.652 -1.039 1.00 0.66 H new ATOM 0 HB3 PRO A 97 -1.690 -7.710 -1.031 1.00 0.66 H new ATOM 0 HG2 PRO A 97 -0.906 -5.622 1.071 1.00 0.57 H new ATOM 0 HG3 PRO A 97 -2.476 -5.871 0.334 1.00 0.57 H new ATOM 0 HD2 PRO A 97 -1.914 -6.984 2.726 1.00 0.67 H new ATOM 0 HD3 PRO A 97 -2.900 -7.842 1.559 1.00 0.67 H new ATOM 66 N ILE A 98 1.359 -6.746 1.488 1.00 0.57 N ATOM 67 CA ILE A 98 2.491 -5.871 1.750 1.00 0.56 C ATOM 68 C ILE A 98 2.331 -5.375 3.184 1.00 0.51 C ATOM 69 O ILE A 98 1.228 -5.023 3.602 1.00 0.47 O ATOM 70 CB ILE A 98 2.538 -4.643 0.819 1.00 0.55 C ATOM 71 CG1 ILE A 98 2.126 -4.844 -0.674 1.00 0.57 C ATOM 72 CG2 ILE A 98 3.931 -4.006 1.001 1.00 0.58 C ATOM 73 CD1 ILE A 98 3.237 -5.190 -1.663 1.00 0.71 C ATOM 0 H ILE A 98 0.564 -6.506 2.081 1.00 0.57 H new ATOM 0 HA ILE A 98 3.410 -6.432 1.582 1.00 0.56 H new ATOM 0 HB ILE A 98 1.738 -3.970 1.127 1.00 0.55 H new ATOM 0 HG12 ILE A 98 1.378 -5.636 -0.715 1.00 0.57 H new ATOM 0 HG13 ILE A 98 1.641 -3.930 -1.017 1.00 0.57 H new ATOM 0 HG21 ILE A 98 4.016 -3.128 0.360 1.00 0.58 H new ATOM 0 HG22 ILE A 98 4.063 -3.710 2.042 1.00 0.58 H new ATOM 0 HG23 ILE A 98 4.700 -4.729 0.730 1.00 0.58 H new ATOM 0 HD11 ILE A 98 2.814 -5.302 -2.661 1.00 0.71 H new ATOM 0 HD12 ILE A 98 3.979 -4.392 -1.671 1.00 0.71 H new ATOM 0 HD13 ILE A 98 3.712 -6.124 -1.364 1.00 0.71 H new ATOM 85 N ILE A 99 3.439 -5.289 3.899 1.00 0.56 N ATOM 86 CA ILE A 99 3.514 -4.987 5.331 1.00 0.61 C ATOM 87 C ILE A 99 4.233 -3.670 5.572 1.00 0.72 C ATOM 88 O ILE A 99 5.331 -3.451 5.073 1.00 0.91 O ATOM 89 CB ILE A 99 4.222 -6.172 6.022 1.00 0.79 C ATOM 90 CG1 ILE A 99 3.295 -7.397 6.049 1.00 0.81 C ATOM 91 CG2 ILE A 99 4.769 -5.930 7.428 1.00 1.02 C ATOM 92 CD1 ILE A 99 2.106 -7.369 7.023 1.00 0.74 C ATOM 0 H ILE A 99 4.359 -5.434 3.483 1.00 0.56 H new ATOM 0 HA ILE A 99 2.516 -4.866 5.752 1.00 0.61 H new ATOM 0 HB ILE A 99 5.107 -6.334 5.406 1.00 0.79 H new ATOM 0 HG12 ILE A 99 2.902 -7.543 5.043 1.00 0.81 H new ATOM 0 HG13 ILE A 99 3.901 -8.272 6.284 1.00 0.81 H new ATOM 0 HG21 ILE A 99 5.241 -6.841 7.797 1.00 1.02 H new ATOM 0 HG22 ILE A 99 5.505 -5.127 7.399 1.00 1.02 H new ATOM 0 HG23 ILE A 99 3.952 -5.650 8.093 1.00 1.02 H new ATOM 0 HD11 ILE A 99 1.540 -8.297 6.934 1.00 0.74 H new ATOM 0 HD12 ILE A 99 2.474 -7.265 8.044 1.00 0.74 H new ATOM 0 HD13 ILE A 99 1.459 -6.525 6.783 1.00 0.74 H new ATOM 104 N ILE A 100 3.599 -2.802 6.357 1.00 0.65 N ATOM 105 CA ILE A 100 4.004 -1.423 6.644 1.00 0.64 C ATOM 106 C ILE A 100 4.062 -1.212 8.155 1.00 0.56 C ATOM 107 O ILE A 100 3.044 -1.270 8.846 1.00 0.55 O ATOM 108 CB ILE A 100 3.018 -0.452 5.957 1.00 0.64 C ATOM 109 CG1 ILE A 100 2.975 -0.705 4.430 1.00 0.75 C ATOM 110 CG2 ILE A 100 3.355 1.017 6.274 1.00 0.74 C ATOM 111 CD1 ILE A 100 4.315 -0.495 3.716 1.00 0.89 C ATOM 0 H ILE A 100 2.737 -3.055 6.840 1.00 0.65 H new ATOM 0 HA ILE A 100 5.000 -1.225 6.247 1.00 0.64 H new ATOM 0 HB ILE A 100 2.024 -0.646 6.359 1.00 0.64 H new ATOM 0 HG12 ILE A 100 2.639 -1.726 4.252 1.00 0.75 H new ATOM 0 HG13 ILE A 100 2.232 -0.043 3.985 1.00 0.75 H new ATOM 0 HG21 ILE A 100 2.640 1.670 5.774 1.00 0.74 H new ATOM 0 HG22 ILE A 100 3.302 1.178 7.351 1.00 0.74 H new ATOM 0 HG23 ILE A 100 4.362 1.243 5.922 1.00 0.74 H new ATOM 0 HD11 ILE A 100 4.195 -0.693 2.651 1.00 0.89 H new ATOM 0 HD12 ILE A 100 4.646 0.534 3.859 1.00 0.89 H new ATOM 0 HD13 ILE A 100 5.059 -1.176 4.130 1.00 0.89 H new ATOM 123 N GLU A 101 5.275 -1.001 8.662 1.00 0.68 N ATOM 124 CA GLU A 101 5.553 -0.838 10.095 1.00 0.71 C ATOM 125 C GLU A 101 5.025 0.511 10.602 1.00 0.74 C ATOM 126 O GLU A 101 5.199 1.549 9.964 1.00 0.90 O ATOM 127 CB GLU A 101 7.054 -1.037 10.403 1.00 0.82 C ATOM 128 CG GLU A 101 7.283 -2.350 11.156 1.00 0.90 C ATOM 129 CD GLU A 101 8.755 -2.636 11.444 1.00 1.55 C ATOM 130 OE1 GLU A 101 9.404 -3.230 10.560 1.00 2.29 O ATOM 131 OE2 GLU A 101 9.191 -2.283 12.564 1.00 2.73 O ATOM 0 H GLU A 101 6.111 -0.937 8.081 1.00 0.68 H new ATOM 0 HA GLU A 101 5.019 -1.617 10.639 1.00 0.71 H new ATOM 0 HB2 GLU A 101 7.624 -1.041 9.474 1.00 0.82 H new ATOM 0 HB3 GLU A 101 7.422 -0.202 10.999 1.00 0.82 H new ATOM 0 HG2 GLU A 101 6.735 -2.320 12.098 1.00 0.90 H new ATOM 0 HG3 GLU A 101 6.868 -3.172 10.572 1.00 0.90 H new ATOM 138 N SER A 102 4.294 0.479 11.715 1.00 0.73 N ATOM 139 CA SER A 102 3.279 1.491 12.011 1.00 0.81 C ATOM 140 C SER A 102 3.328 2.081 13.421 1.00 1.04 C ATOM 141 O SER A 102 3.373 3.300 13.568 1.00 2.44 O ATOM 142 CB SER A 102 1.920 0.808 11.815 1.00 1.21 C ATOM 143 OG SER A 102 1.888 -0.468 12.452 1.00 3.34 O ATOM 0 H SER A 102 4.386 -0.241 12.431 1.00 0.73 H new ATOM 0 HA SER A 102 3.460 2.335 11.346 1.00 0.81 H new ATOM 0 HB2 SER A 102 1.130 1.440 12.221 1.00 1.21 H new ATOM 0 HB3 SER A 102 1.719 0.691 10.750 1.00 1.21 H new ATOM 0 HG SER A 102 1.426 -1.111 11.874 1.00 3.34 H new ATOM 149 N TYR A 103 3.243 1.240 14.454 1.00 1.03 N ATOM 150 CA TYR A 103 3.394 1.562 15.881 1.00 0.90 C ATOM 151 C TYR A 103 2.203 2.329 16.508 1.00 0.95 C ATOM 152 O TYR A 103 2.026 2.278 17.722 1.00 1.50 O ATOM 153 CB TYR A 103 4.737 2.261 16.130 1.00 0.99 C ATOM 154 CG TYR A 103 5.926 1.708 15.345 1.00 1.28 C ATOM 155 CD1 TYR A 103 6.219 0.326 15.335 1.00 2.08 C ATOM 156 CD2 TYR A 103 6.725 2.585 14.589 1.00 2.70 C ATOM 157 CE1 TYR A 103 7.295 -0.176 14.569 1.00 2.24 C ATOM 158 CE2 TYR A 103 7.829 2.099 13.864 1.00 3.21 C ATOM 159 CZ TYR A 103 8.117 0.718 13.846 1.00 2.31 C ATOM 160 OH TYR A 103 9.176 0.272 13.116 1.00 2.88 O ATOM 0 H TYR A 103 3.054 0.248 14.309 1.00 1.03 H new ATOM 0 HA TYR A 103 3.389 0.607 16.407 1.00 0.90 H new ATOM 0 HB2 TYR A 103 4.626 3.318 15.889 1.00 0.99 H new ATOM 0 HB3 TYR A 103 4.967 2.199 17.194 1.00 0.99 H new ATOM 0 HD1 TYR A 103 5.615 -0.353 15.918 1.00 2.08 H new ATOM 0 HD2 TYR A 103 6.490 3.639 14.565 1.00 2.70 H new ATOM 0 HE1 TYR A 103 7.488 -1.238 14.536 1.00 2.24 H new ATOM 0 HE2 TYR A 103 8.459 2.786 13.319 1.00 3.21 H new ATOM 0 HH TYR A 103 9.307 -0.685 13.281 1.00 2.88 H new ATOM 170 N ASP A 104 1.368 2.952 15.672 1.00 0.80 N ATOM 171 CA ASP A 104 0.004 3.415 15.952 1.00 0.83 C ATOM 172 C ASP A 104 -0.937 2.793 14.891 1.00 0.91 C ATOM 173 O ASP A 104 -0.545 2.614 13.731 1.00 2.03 O ATOM 174 CB ASP A 104 -0.090 4.954 15.926 1.00 1.26 C ATOM 175 CG ASP A 104 0.945 5.699 16.789 1.00 1.97 C ATOM 176 OD1 ASP A 104 2.081 5.925 16.295 1.00 2.46 O ATOM 177 OD2 ASP A 104 0.577 6.174 17.880 1.00 3.04 O ATOM 0 H ASP A 104 1.646 3.161 14.713 1.00 0.80 H new ATOM 0 HA ASP A 104 -0.289 3.100 16.954 1.00 0.83 H new ATOM 0 HB2 ASP A 104 0.015 5.289 14.894 1.00 1.26 H new ATOM 0 HB3 ASP A 104 -1.088 5.245 16.255 1.00 1.26 H new ATOM 182 N ASP A 105 -2.175 2.461 15.272 1.00 0.79 N ATOM 183 CA ASP A 105 -3.067 1.524 14.566 1.00 0.67 C ATOM 184 C ASP A 105 -3.628 1.990 13.200 1.00 0.65 C ATOM 185 O ASP A 105 -4.377 1.243 12.576 1.00 0.92 O ATOM 186 CB ASP A 105 -4.145 1.000 15.541 1.00 0.85 C ATOM 187 CG ASP A 105 -4.930 2.029 16.351 1.00 2.15 C ATOM 188 OD1 ASP A 105 -4.303 2.720 17.188 1.00 3.33 O ATOM 189 OD2 ASP A 105 -6.165 2.082 16.144 1.00 3.23 O ATOM 0 H ASP A 105 -2.603 2.850 16.112 1.00 0.79 H new ATOM 0 HA ASP A 105 -2.435 0.694 14.249 1.00 0.67 H new ATOM 0 HB2 ASP A 105 -4.859 0.410 14.966 1.00 0.85 H new ATOM 0 HB3 ASP A 105 -3.661 0.320 16.242 1.00 0.85 H new ATOM 194 N TYR A 106 -3.226 3.157 12.681 1.00 0.57 N ATOM 195 CA TYR A 106 -3.730 3.779 11.431 1.00 0.74 C ATOM 196 C TYR A 106 -2.676 4.599 10.651 1.00 0.88 C ATOM 197 O TYR A 106 -3.014 5.507 9.885 1.00 1.63 O ATOM 198 CB TYR A 106 -5.018 4.580 11.727 1.00 0.92 C ATOM 199 CG TYR A 106 -5.001 5.267 13.073 1.00 0.80 C ATOM 200 CD1 TYR A 106 -4.243 6.437 13.282 1.00 2.05 C ATOM 201 CD2 TYR A 106 -5.619 4.624 14.159 1.00 1.74 C ATOM 202 CE1 TYR A 106 -4.077 6.940 14.588 1.00 2.21 C ATOM 203 CE2 TYR A 106 -5.437 5.108 15.460 1.00 1.82 C ATOM 204 CZ TYR A 106 -4.652 6.258 15.683 1.00 1.27 C ATOM 205 OH TYR A 106 -4.409 6.670 16.954 1.00 1.69 O ATOM 0 H TYR A 106 -2.510 3.725 13.134 1.00 0.57 H new ATOM 0 HA TYR A 106 -3.972 2.966 10.747 1.00 0.74 H new ATOM 0 HB2 TYR A 106 -5.159 5.328 10.947 1.00 0.92 H new ATOM 0 HB3 TYR A 106 -5.874 3.907 11.682 1.00 0.92 H new ATOM 0 HD1 TYR A 106 -3.791 6.946 12.444 1.00 2.05 H new ATOM 0 HD2 TYR A 106 -6.236 3.754 13.990 1.00 1.74 H new ATOM 0 HE1 TYR A 106 -3.511 7.845 14.751 1.00 2.21 H new ATOM 0 HE2 TYR A 106 -5.898 4.600 16.294 1.00 1.82 H new ATOM 0 HH TYR A 106 -4.884 6.088 17.583 1.00 1.69 H new ATOM 215 N ARG A 107 -1.381 4.297 10.829 1.00 0.89 N ATOM 216 CA ARG A 107 -0.289 4.916 10.046 1.00 1.06 C ATOM 217 C ARG A 107 -0.524 4.820 8.535 1.00 1.14 C ATOM 218 O ARG A 107 -0.857 3.757 8.017 1.00 1.71 O ATOM 219 CB ARG A 107 1.076 4.273 10.370 1.00 1.24 C ATOM 220 CG ARG A 107 1.974 5.181 11.214 1.00 1.52 C ATOM 221 CD ARG A 107 1.325 5.458 12.572 1.00 2.46 C ATOM 222 NE ARG A 107 2.221 6.098 13.542 1.00 3.02 N ATOM 223 CZ ARG A 107 2.790 7.290 13.514 1.00 3.26 C ATOM 224 NH1 ARG A 107 2.848 8.042 12.434 1.00 3.37 N ATOM 225 NH2 ARG A 107 3.292 7.746 14.634 1.00 4.28 N ATOM 0 H ARG A 107 -1.057 3.618 11.518 1.00 0.89 H new ATOM 0 HA ARG A 107 -0.281 5.967 10.335 1.00 1.06 H new ATOM 0 HB2 ARG A 107 0.914 3.335 10.901 1.00 1.24 H new ATOM 0 HB3 ARG A 107 1.587 4.028 9.439 1.00 1.24 H new ATOM 0 HG2 ARG A 107 2.946 4.710 11.358 1.00 1.52 H new ATOM 0 HG3 ARG A 107 2.149 6.120 10.689 1.00 1.52 H new ATOM 0 HD2 ARG A 107 0.453 6.095 12.423 1.00 2.46 H new ATOM 0 HD3 ARG A 107 0.966 4.518 12.990 1.00 2.46 H new ATOM 0 HE ARG A 107 2.438 5.536 14.365 1.00 3.02 H new ATOM 0 HH11 ARG A 107 2.440 7.711 11.560 1.00 3.37 H new ATOM 0 HH12 ARG A 107 3.301 8.955 12.472 1.00 3.37 H new ATOM 0 HH21 ARG A 107 3.235 7.185 15.484 1.00 4.28 H new ATOM 0 HH22 ARG A 107 3.740 8.662 14.656 1.00 4.28 H new ATOM 239 N TYR A 108 -0.283 5.915 7.812 1.00 0.78 N ATOM 240 CA TYR A 108 -0.328 5.907 6.345 1.00 0.71 C ATOM 241 C TYR A 108 0.812 5.072 5.721 1.00 0.78 C ATOM 242 O TYR A 108 1.802 4.770 6.381 1.00 0.99 O ATOM 243 CB TYR A 108 -0.407 7.344 5.800 1.00 0.81 C ATOM 244 CG TYR A 108 0.937 8.018 5.695 1.00 0.98 C ATOM 245 CD1 TYR A 108 1.441 8.750 6.785 1.00 2.00 C ATOM 246 CD2 TYR A 108 1.713 7.833 4.535 1.00 2.01 C ATOM 247 CE1 TYR A 108 2.739 9.285 6.728 1.00 2.09 C ATOM 248 CE2 TYR A 108 3.025 8.335 4.495 1.00 2.19 C ATOM 249 CZ TYR A 108 3.541 9.074 5.584 1.00 1.43 C ATOM 250 OH TYR A 108 4.802 9.584 5.538 1.00 1.68 O ATOM 0 H TYR A 108 -0.054 6.822 8.218 1.00 0.78 H new ATOM 0 HA TYR A 108 -1.242 5.399 6.037 1.00 0.71 H new ATOM 0 HB2 TYR A 108 -0.874 7.326 4.815 1.00 0.81 H new ATOM 0 HB3 TYR A 108 -1.053 7.936 6.449 1.00 0.81 H new ATOM 0 HD1 TYR A 108 0.832 8.901 7.664 1.00 2.00 H new ATOM 0 HD2 TYR A 108 1.304 7.310 3.683 1.00 2.01 H new ATOM 0 HE1 TYR A 108 3.124 9.858 7.559 1.00 2.09 H new ATOM 0 HE2 TYR A 108 3.643 8.155 3.627 1.00 2.19 H new ATOM 0 HH TYR A 108 5.219 9.348 4.683 1.00 1.68 H new ATOM 260 N VAL A 109 0.661 4.719 4.443 1.00 0.72 N ATOM 261 CA VAL A 109 1.694 4.069 3.613 1.00 0.86 C ATOM 262 C VAL A 109 2.080 4.951 2.430 1.00 0.88 C ATOM 263 O VAL A 109 1.200 5.573 1.846 1.00 0.78 O ATOM 264 CB VAL A 109 1.223 2.694 3.096 1.00 0.95 C ATOM 265 CG1 VAL A 109 -0.063 2.720 2.272 1.00 0.93 C ATOM 266 CG2 VAL A 109 2.312 2.026 2.251 1.00 1.13 C ATOM 0 H VAL A 109 -0.209 4.880 3.935 1.00 0.72 H new ATOM 0 HA VAL A 109 2.567 3.921 4.249 1.00 0.86 H new ATOM 0 HB VAL A 109 1.014 2.127 4.003 1.00 0.95 H new ATOM 0 HG11 VAL A 109 -0.312 1.708 1.954 1.00 0.93 H new ATOM 0 HG12 VAL A 109 -0.876 3.120 2.878 1.00 0.93 H new ATOM 0 HG13 VAL A 109 0.080 3.351 1.395 1.00 0.93 H new ATOM 0 HG21 VAL A 109 1.956 1.058 1.898 1.00 1.13 H new ATOM 0 HG22 VAL A 109 2.549 2.659 1.396 1.00 1.13 H new ATOM 0 HG23 VAL A 109 3.207 1.885 2.857 1.00 1.13 H new ATOM 276 N GLY A 110 3.365 4.966 2.058 1.00 1.03 N ATOM 277 CA GLY A 110 3.850 5.553 0.804 1.00 1.06 C ATOM 278 C GLY A 110 4.524 4.529 -0.112 1.00 1.07 C ATOM 279 O GLY A 110 5.468 3.859 0.306 1.00 1.53 O ATOM 0 H GLY A 110 4.109 4.564 2.629 1.00 1.03 H new ATOM 0 HA2 GLY A 110 3.014 6.010 0.276 1.00 1.06 H new ATOM 0 HA3 GLY A 110 4.558 6.350 1.032 1.00 1.06 H new ATOM 283 N CYS A 111 4.081 4.488 -1.375 1.00 0.69 N ATOM 284 CA CYS A 111 4.679 3.731 -2.485 1.00 0.69 C ATOM 285 C CYS A 111 4.856 4.535 -3.799 1.00 0.65 C ATOM 286 O CYS A 111 4.088 5.455 -4.116 1.00 0.61 O ATOM 287 CB CYS A 111 3.792 2.495 -2.702 1.00 0.80 C ATOM 288 SG CYS A 111 3.406 1.963 -4.420 1.00 1.45 S ATOM 0 H CYS A 111 3.253 5.008 -1.666 1.00 0.69 H new ATOM 0 HA CYS A 111 5.699 3.462 -2.211 1.00 0.69 H new ATOM 0 HB2 CYS A 111 4.269 1.655 -2.197 1.00 0.80 H new ATOM 0 HB3 CYS A 111 2.845 2.676 -2.193 1.00 0.80 H new ATOM 293 N THR A 112 5.843 4.096 -4.603 1.00 0.72 N ATOM 294 CA THR A 112 6.117 4.602 -5.966 1.00 0.69 C ATOM 295 C THR A 112 5.840 3.633 -7.114 1.00 0.66 C ATOM 296 O THR A 112 6.304 3.820 -8.240 1.00 0.76 O ATOM 297 CB THR A 112 7.521 5.188 -6.093 1.00 0.86 C ATOM 298 OG1 THR A 112 8.502 4.273 -5.662 1.00 1.01 O ATOM 299 CG2 THR A 112 7.617 6.440 -5.244 1.00 0.91 C ATOM 0 H THR A 112 6.490 3.361 -4.317 1.00 0.72 H new ATOM 0 HA THR A 112 5.377 5.394 -6.082 1.00 0.69 H new ATOM 0 HB THR A 112 7.698 5.417 -7.144 1.00 0.86 H new ATOM 0 HG1 THR A 112 8.481 3.478 -6.234 1.00 1.01 H new ATOM 0 HG21 THR A 112 8.618 6.863 -5.331 1.00 0.91 H new ATOM 0 HG22 THR A 112 6.884 7.170 -5.588 1.00 0.91 H new ATOM 0 HG23 THR A 112 7.418 6.189 -4.202 1.00 0.91 H new ATOM 307 N GLY A 113 5.114 2.557 -6.844 1.00 0.68 N ATOM 308 CA GLY A 113 4.885 1.454 -7.776 1.00 0.75 C ATOM 309 C GLY A 113 5.321 0.106 -7.240 1.00 1.12 C ATOM 310 O GLY A 113 4.846 -0.940 -7.657 1.00 2.29 O ATOM 0 H GLY A 113 4.653 2.420 -5.944 1.00 0.68 H new ATOM 0 HA2 GLY A 113 3.824 1.412 -8.022 1.00 0.75 H new ATOM 0 HA3 GLY A 113 5.420 1.657 -8.704 1.00 0.75 H new ATOM 314 N SER A 114 6.374 0.177 -6.440 1.00 1.05 N ATOM 315 CA SER A 114 7.659 -0.511 -6.664 1.00 1.50 C ATOM 316 C SER A 114 8.771 0.509 -6.316 1.00 1.55 C ATOM 317 O SER A 114 8.527 1.712 -6.509 1.00 1.72 O ATOM 318 CB SER A 114 7.798 -0.998 -8.126 1.00 2.11 C ATOM 319 OG SER A 114 9.055 -1.580 -8.391 1.00 3.07 O ATOM 0 H SER A 114 6.368 0.732 -5.584 1.00 1.05 H new ATOM 0 HA SER A 114 7.729 -1.402 -6.039 1.00 1.50 H new ATOM 0 HB2 SER A 114 7.014 -1.725 -8.338 1.00 2.11 H new ATOM 0 HB3 SER A 114 7.643 -0.156 -8.801 1.00 2.11 H new ATOM 0 HG SER A 114 9.090 -1.872 -9.326 1.00 3.07 H new ATOM 325 N PRO A 115 9.952 0.094 -5.807 1.00 1.76 N ATOM 326 CA PRO A 115 11.049 0.986 -5.398 1.00 1.99 C ATOM 327 C PRO A 115 11.819 1.603 -6.580 1.00 1.94 C ATOM 328 O PRO A 115 13.045 1.560 -6.644 1.00 2.30 O ATOM 329 CB PRO A 115 11.946 0.124 -4.504 1.00 2.40 C ATOM 330 CG PRO A 115 11.742 -1.287 -5.044 1.00 2.46 C ATOM 331 CD PRO A 115 10.264 -1.277 -5.411 1.00 2.07 C ATOM 0 HA PRO A 115 10.662 1.859 -4.873 1.00 1.99 H new ATOM 0 HB2 PRO A 115 12.990 0.431 -4.569 1.00 2.40 H new ATOM 0 HB3 PRO A 115 11.657 0.198 -3.456 1.00 2.40 H new ATOM 0 HG2 PRO A 115 12.375 -1.488 -5.908 1.00 2.46 H new ATOM 0 HG3 PRO A 115 11.971 -2.047 -4.297 1.00 2.46 H new ATOM 0 HD2 PRO A 115 10.060 -1.973 -6.225 1.00 2.07 H new ATOM 0 HD3 PRO A 115 9.651 -1.587 -4.565 1.00 2.07 H new ATOM 339 N ALA A 116 11.096 2.147 -7.555 1.00 2.06 N ATOM 340 CA ALA A 116 11.630 2.464 -8.880 1.00 2.14 C ATOM 341 C ALA A 116 10.842 3.564 -9.621 1.00 2.10 C ATOM 342 O ALA A 116 10.780 3.568 -10.847 1.00 2.49 O ATOM 343 CB ALA A 116 11.727 1.139 -9.646 1.00 2.23 C ATOM 0 H ALA A 116 10.110 2.384 -7.448 1.00 2.06 H new ATOM 0 HA ALA A 116 12.620 2.912 -8.789 1.00 2.14 H new ATOM 0 HB1 ALA A 116 12.122 1.324 -10.645 1.00 2.23 H new ATOM 0 HB2 ALA A 116 12.392 0.459 -9.113 1.00 2.23 H new ATOM 0 HB3 ALA A 116 10.736 0.691 -9.725 1.00 2.23 H new ATOM 349 N GLY A 117 10.188 4.471 -8.879 1.00 1.93 N ATOM 350 CA GLY A 117 9.630 5.719 -9.434 1.00 2.01 C ATOM 351 C GLY A 117 8.551 5.548 -10.509 1.00 2.05 C ATOM 352 O GLY A 117 8.369 6.445 -11.324 1.00 2.87 O ATOM 0 H GLY A 117 10.030 4.362 -7.877 1.00 1.93 H new ATOM 0 HA2 GLY A 117 9.210 6.303 -8.615 1.00 2.01 H new ATOM 0 HA3 GLY A 117 10.447 6.304 -9.856 1.00 2.01 H new ATOM 356 N SER A 118 7.874 4.399 -10.552 1.00 1.39 N ATOM 357 CA SER A 118 7.161 3.914 -11.738 1.00 1.33 C ATOM 358 C SER A 118 6.063 4.870 -12.202 1.00 1.29 C ATOM 359 O SER A 118 6.022 5.251 -13.371 1.00 1.47 O ATOM 360 CB SER A 118 6.563 2.524 -11.467 1.00 1.27 C ATOM 361 OG SER A 118 5.448 2.582 -10.606 1.00 3.01 O ATOM 0 H SER A 118 7.804 3.769 -9.753 1.00 1.39 H new ATOM 0 HA SER A 118 7.894 3.852 -12.542 1.00 1.33 H new ATOM 0 HB2 SER A 118 6.267 2.067 -12.411 1.00 1.27 H new ATOM 0 HB3 SER A 118 7.326 1.882 -11.028 1.00 1.27 H new ATOM 0 HG SER A 118 5.676 3.106 -9.810 1.00 3.01 H new ATOM 367 N HIS A 119 5.187 5.281 -11.281 1.00 1.15 N ATOM 368 CA HIS A 119 4.080 6.171 -11.590 1.00 1.15 C ATOM 369 C HIS A 119 4.396 7.602 -11.119 1.00 1.30 C ATOM 370 O HIS A 119 4.627 8.495 -11.933 1.00 2.65 O ATOM 371 CB HIS A 119 2.798 5.545 -11.032 1.00 0.93 C ATOM 372 CG HIS A 119 2.769 5.206 -9.556 1.00 0.67 C ATOM 373 ND1 HIS A 119 2.501 6.108 -8.583 1.00 0.64 N ATOM 374 CD2 HIS A 119 2.803 3.957 -9.001 1.00 0.54 C ATOM 375 CE1 HIS A 119 2.445 5.484 -7.406 1.00 0.47 C ATOM 376 NE2 HIS A 119 2.512 4.158 -7.636 1.00 0.47 N ATOM 0 H HIS A 119 5.231 5.002 -10.301 1.00 1.15 H new ATOM 0 HA HIS A 119 3.922 6.282 -12.663 1.00 1.15 H new ATOM 0 HB2 HIS A 119 1.974 6.228 -11.236 1.00 0.93 H new ATOM 0 HB3 HIS A 119 2.600 4.630 -11.591 1.00 0.93 H new ATOM 0 HD1 HIS A 119 2.363 7.108 -8.728 1.00 0.64 H new ATOM 0 HD2 HIS A 119 3.008 3.021 -9.499 1.00 0.54 H new ATOM 0 HE1 HIS A 119 2.361 5.958 -6.439 1.00 0.47 H new ATOM 384 N THR A 120 4.543 7.736 -9.803 1.00 0.64 N ATOM 385 CA THR A 120 4.871 8.879 -8.951 1.00 0.67 C ATOM 386 C THR A 120 4.899 8.367 -7.517 1.00 0.62 C ATOM 387 O THR A 120 4.998 7.166 -7.327 1.00 0.59 O ATOM 388 CB THR A 120 3.920 10.050 -9.186 1.00 0.79 C ATOM 389 OG1 THR A 120 4.536 11.189 -8.645 1.00 0.95 O ATOM 390 CG2 THR A 120 2.545 9.877 -8.552 1.00 0.83 C ATOM 0 H THR A 120 4.413 6.911 -9.218 1.00 0.64 H new ATOM 0 HA THR A 120 5.850 9.293 -9.193 1.00 0.67 H new ATOM 0 HB THR A 120 3.741 10.127 -10.258 1.00 0.79 H new ATOM 0 HG1 THR A 120 3.956 11.968 -8.777 1.00 0.95 H new ATOM 0 HG21 THR A 120 1.933 10.753 -8.767 1.00 0.83 H new ATOM 0 HG22 THR A 120 2.064 8.989 -8.962 1.00 0.83 H new ATOM 0 HG23 THR A 120 2.653 9.766 -7.473 1.00 0.83 H new ATOM 398 N ILE A 121 4.764 9.227 -6.524 1.00 0.78 N ATOM 399 CA ILE A 121 4.514 8.886 -5.122 1.00 0.77 C ATOM 400 C ILE A 121 3.050 9.175 -4.763 1.00 0.74 C ATOM 401 O ILE A 121 2.459 10.140 -5.240 1.00 0.85 O ATOM 402 CB ILE A 121 5.516 9.653 -4.239 1.00 0.92 C ATOM 403 CG1 ILE A 121 5.437 9.241 -2.758 1.00 1.04 C ATOM 404 CG2 ILE A 121 5.310 11.166 -4.302 1.00 1.04 C ATOM 405 CD1 ILE A 121 6.223 7.979 -2.451 1.00 1.14 C ATOM 0 H ILE A 121 4.828 10.234 -6.673 1.00 0.78 H new ATOM 0 HA ILE A 121 4.668 7.821 -4.948 1.00 0.77 H new ATOM 0 HB ILE A 121 6.493 9.391 -4.645 1.00 0.92 H new ATOM 0 HG12 ILE A 121 5.813 10.056 -2.139 1.00 1.04 H new ATOM 0 HG13 ILE A 121 4.393 9.088 -2.484 1.00 1.04 H new ATOM 0 HG21 ILE A 121 6.041 11.660 -3.662 1.00 1.04 H new ATOM 0 HG22 ILE A 121 5.437 11.508 -5.329 1.00 1.04 H new ATOM 0 HG23 ILE A 121 4.305 11.411 -3.960 1.00 1.04 H new ATOM 0 HD11 ILE A 121 6.128 7.740 -1.392 1.00 1.14 H new ATOM 0 HD12 ILE A 121 5.832 7.153 -3.045 1.00 1.14 H new ATOM 0 HD13 ILE A 121 7.274 8.136 -2.695 1.00 1.14 H new ATOM 417 N MET A 122 2.475 8.356 -3.888 1.00 0.64 N ATOM 418 CA MET A 122 1.149 8.537 -3.288 1.00 0.73 C ATOM 419 C MET A 122 1.215 8.299 -1.770 1.00 0.82 C ATOM 420 O MET A 122 2.248 7.858 -1.264 1.00 0.97 O ATOM 421 CB MET A 122 0.139 7.607 -3.995 1.00 0.84 C ATOM 422 CG MET A 122 0.574 6.135 -4.037 1.00 1.64 C ATOM 423 SD MET A 122 0.639 5.341 -2.402 1.00 3.94 S ATOM 424 CE MET A 122 0.497 3.608 -2.841 1.00 5.09 C ATOM 0 H MET A 122 2.938 7.508 -3.560 1.00 0.64 H new ATOM 0 HA MET A 122 0.808 9.563 -3.428 1.00 0.73 H new ATOM 0 HB2 MET A 122 -0.823 7.677 -3.487 1.00 0.84 H new ATOM 0 HB3 MET A 122 -0.013 7.960 -5.015 1.00 0.84 H new ATOM 0 HG2 MET A 122 -0.116 5.580 -4.673 1.00 1.64 H new ATOM 0 HG3 MET A 122 1.558 6.070 -4.501 1.00 1.64 H new ATOM 0 HE1 MET A 122 0.716 2.993 -1.969 1.00 5.09 H new ATOM 0 HE2 MET A 122 -0.516 3.402 -3.185 1.00 5.09 H new ATOM 0 HE3 MET A 122 1.205 3.375 -3.637 1.00 5.09 H new ATOM 434 N TRP A 123 0.100 8.513 -1.064 1.00 0.82 N ATOM 435 CA TRP A 123 -0.040 8.149 0.350 1.00 0.83 C ATOM 436 C TRP A 123 -1.412 7.493 0.599 1.00 0.68 C ATOM 437 O TRP A 123 -2.427 8.099 0.250 1.00 0.86 O ATOM 438 CB TRP A 123 0.147 9.392 1.244 1.00 1.18 C ATOM 439 CG TRP A 123 1.226 10.370 0.862 1.00 1.48 C ATOM 440 CD1 TRP A 123 1.007 11.639 0.448 1.00 1.79 C ATOM 441 CD2 TRP A 123 2.682 10.206 0.864 1.00 1.71 C ATOM 442 NE1 TRP A 123 2.211 12.266 0.197 1.00 2.02 N ATOM 443 CE2 TRP A 123 3.279 11.434 0.453 1.00 1.93 C ATOM 444 CE3 TRP A 123 3.560 9.147 1.170 1.00 1.99 C ATOM 445 CZ2 TRP A 123 4.670 11.610 0.374 1.00 2.19 C ATOM 446 CZ3 TRP A 123 4.958 9.308 1.102 1.00 2.38 C ATOM 447 CH2 TRP A 123 5.514 10.538 0.708 1.00 2.39 C ATOM 0 H TRP A 123 -0.735 8.946 -1.459 1.00 0.82 H new ATOM 0 HA TRP A 123 0.735 7.426 0.606 1.00 0.83 H new ATOM 0 HB2 TRP A 123 -0.800 9.931 1.272 1.00 1.18 H new ATOM 0 HB3 TRP A 123 0.349 9.049 2.259 1.00 1.18 H new ATOM 0 HD1 TRP A 123 0.035 12.094 0.331 1.00 1.79 H new ATOM 0 HE1 TRP A 123 2.299 13.226 -0.137 1.00 2.02 H new ATOM 0 HE3 TRP A 123 3.152 8.191 1.463 1.00 1.99 H new ATOM 0 HZ2 TRP A 123 5.085 12.557 0.061 1.00 2.19 H new ATOM 0 HZ3 TRP A 123 5.606 8.482 1.354 1.00 2.38 H new ATOM 0 HH2 TRP A 123 6.586 10.658 0.662 1.00 2.39 H new ATOM 458 N LEU A 124 -1.479 6.289 1.196 1.00 0.52 N ATOM 459 CA LEU A 124 -2.765 5.625 1.513 1.00 0.56 C ATOM 460 C LEU A 124 -2.969 5.457 3.022 1.00 0.59 C ATOM 461 O LEU A 124 -1.995 5.338 3.763 1.00 0.56 O ATOM 462 CB LEU A 124 -2.901 4.242 0.840 1.00 0.66 C ATOM 463 CG LEU A 124 -2.138 3.994 -0.471 1.00 0.65 C ATOM 464 CD1 LEU A 124 -2.177 2.490 -0.766 1.00 1.01 C ATOM 465 CD2 LEU A 124 -2.759 4.779 -1.633 1.00 0.59 C ATOM 0 H LEU A 124 -0.657 5.751 1.471 1.00 0.52 H new ATOM 0 HA LEU A 124 -3.534 6.287 1.115 1.00 0.56 H new ATOM 0 HB2 LEU A 124 -2.580 3.489 1.559 1.00 0.66 H new ATOM 0 HB3 LEU A 124 -3.960 4.068 0.647 1.00 0.66 H new ATOM 0 HG LEU A 124 -1.109 4.336 -0.363 1.00 0.65 H new ATOM 0 HD11 LEU A 124 -1.641 2.287 -1.693 1.00 1.01 H new ATOM 0 HD12 LEU A 124 -1.705 1.946 0.052 1.00 1.01 H new ATOM 0 HD13 LEU A 124 -3.213 2.166 -0.867 1.00 1.01 H new ATOM 0 HD21 LEU A 124 -2.197 4.583 -2.546 1.00 0.59 H new ATOM 0 HD22 LEU A 124 -3.795 4.468 -1.770 1.00 0.59 H new ATOM 0 HD23 LEU A 124 -2.727 5.845 -1.410 1.00 0.59 H new ATOM 477 N LYS A 125 -4.224 5.353 3.482 1.00 0.88 N ATOM 478 CA LYS A 125 -4.536 5.030 4.889 1.00 0.83 C ATOM 479 C LYS A 125 -4.968 3.552 5.032 1.00 0.71 C ATOM 480 O LYS A 125 -6.105 3.207 4.702 1.00 0.81 O ATOM 481 CB LYS A 125 -5.502 6.082 5.511 1.00 1.04 C ATOM 482 CG LYS A 125 -7.028 5.828 5.493 1.00 2.14 C ATOM 483 CD LYS A 125 -7.523 4.965 6.679 1.00 3.13 C ATOM 484 CE LYS A 125 -8.712 4.068 6.287 1.00 4.51 C ATOM 485 NZ LYS A 125 -9.152 3.205 7.412 1.00 5.62 N ATOM 0 H LYS A 125 -5.049 5.489 2.897 1.00 0.88 H new ATOM 0 HA LYS A 125 -3.633 5.111 5.494 1.00 0.83 H new ATOM 0 HB2 LYS A 125 -5.207 6.219 6.551 1.00 1.04 H new ATOM 0 HB3 LYS A 125 -5.324 7.029 5.001 1.00 1.04 H new ATOM 0 HG2 LYS A 125 -7.548 6.786 5.509 1.00 2.14 H new ATOM 0 HG3 LYS A 125 -7.296 5.335 4.558 1.00 2.14 H new ATOM 0 HD2 LYS A 125 -6.704 4.343 7.041 1.00 3.13 H new ATOM 0 HD3 LYS A 125 -7.817 5.616 7.503 1.00 3.13 H new ATOM 0 HE2 LYS A 125 -9.545 4.691 5.961 1.00 4.51 H new ATOM 0 HE3 LYS A 125 -8.431 3.443 5.439 1.00 4.51 H new ATOM 0 HZ1 LYS A 125 -9.755 2.440 7.047 1.00 5.62 H new ATOM 0 HZ2 LYS A 125 -8.319 2.796 7.882 1.00 5.62 H new ATOM 0 HZ3 LYS A 125 -9.690 3.774 8.096 1.00 5.62 H new ATOM 499 N PRO A 126 -4.089 2.645 5.493 1.00 0.70 N ATOM 500 CA PRO A 126 -4.507 1.395 6.104 1.00 0.98 C ATOM 501 C PRO A 126 -4.840 1.649 7.580 1.00 1.39 C ATOM 502 O PRO A 126 -4.693 2.763 8.084 1.00 2.75 O ATOM 503 CB PRO A 126 -3.324 0.449 5.887 1.00 1.06 C ATOM 504 CG PRO A 126 -2.125 1.388 6.025 1.00 0.89 C ATOM 505 CD PRO A 126 -2.636 2.698 5.423 1.00 0.68 C ATOM 0 HA PRO A 126 -5.410 0.959 5.676 1.00 0.98 H new ATOM 0 HB2 PRO A 126 -3.302 -0.350 6.628 1.00 1.06 H new ATOM 0 HB3 PRO A 126 -3.358 -0.026 4.906 1.00 1.06 H new ATOM 0 HG2 PRO A 126 -1.829 1.512 7.067 1.00 0.89 H new ATOM 0 HG3 PRO A 126 -1.254 1.011 5.489 1.00 0.89 H new ATOM 0 HD2 PRO A 126 -2.252 3.555 5.976 1.00 0.68 H new ATOM 0 HD3 PRO A 126 -2.301 2.808 4.392 1.00 0.68 H new ATOM 513 N THR A 127 -5.274 0.593 8.261 1.00 0.68 N ATOM 514 CA THR A 127 -5.498 0.501 9.705 1.00 0.65 C ATOM 515 C THR A 127 -5.100 -0.916 10.078 1.00 0.52 C ATOM 516 O THR A 127 -5.153 -1.790 9.217 1.00 0.51 O ATOM 517 CB THR A 127 -6.973 0.700 10.065 1.00 0.78 C ATOM 518 OG1 THR A 127 -7.555 1.755 9.343 1.00 1.05 O ATOM 519 CG2 THR A 127 -7.289 0.946 11.534 1.00 0.86 C ATOM 0 H THR A 127 -5.495 -0.283 7.788 1.00 0.68 H new ATOM 0 HA THR A 127 -4.929 1.269 10.229 1.00 0.65 H new ATOM 0 HB THR A 127 -7.395 -0.269 9.798 1.00 0.78 H new ATOM 0 HG1 THR A 127 -8.508 1.817 9.565 1.00 1.05 H new ATOM 0 HG21 THR A 127 -8.365 1.071 11.659 1.00 0.86 H new ATOM 0 HG22 THR A 127 -6.951 0.095 12.126 1.00 0.86 H new ATOM 0 HG23 THR A 127 -6.778 1.848 11.870 1.00 0.86 H new ATOM 527 N VAL A 128 -4.773 -1.191 11.332 1.00 0.52 N ATOM 528 CA VAL A 128 -4.449 -2.561 11.775 1.00 0.47 C ATOM 529 C VAL A 128 -5.627 -3.531 11.510 1.00 0.53 C ATOM 530 O VAL A 128 -5.442 -4.699 11.173 1.00 0.68 O ATOM 531 CB VAL A 128 -4.012 -2.595 13.255 1.00 0.60 C ATOM 532 CG1 VAL A 128 -5.151 -2.138 14.162 1.00 0.69 C ATOM 533 CG2 VAL A 128 -3.449 -3.968 13.672 1.00 0.72 C ATOM 0 H VAL A 128 -4.722 -0.490 12.071 1.00 0.52 H new ATOM 0 HA VAL A 128 -3.601 -2.902 11.182 1.00 0.47 H new ATOM 0 HB VAL A 128 -3.189 -1.890 13.371 1.00 0.60 H new ATOM 0 HG11 VAL A 128 -4.823 -2.169 15.201 1.00 0.69 H new ATOM 0 HG12 VAL A 128 -5.437 -1.119 13.902 1.00 0.69 H new ATOM 0 HG13 VAL A 128 -6.008 -2.799 14.032 1.00 0.69 H new ATOM 0 HG21 VAL A 128 -3.157 -3.938 14.722 1.00 0.72 H new ATOM 0 HG22 VAL A 128 -4.213 -4.733 13.530 1.00 0.72 H new ATOM 0 HG23 VAL A 128 -2.579 -4.206 13.060 1.00 0.72 H new ATOM 543 N ASN A 129 -6.853 -2.994 11.599 1.00 0.61 N ATOM 544 CA ASN A 129 -8.143 -3.626 11.291 1.00 0.90 C ATOM 545 C ASN A 129 -8.452 -3.753 9.792 1.00 0.98 C ATOM 546 O ASN A 129 -9.482 -4.317 9.426 1.00 1.33 O ATOM 547 CB ASN A 129 -9.231 -2.826 12.030 1.00 1.15 C ATOM 548 CG ASN A 129 -9.014 -2.855 13.539 1.00 1.31 C ATOM 549 OD1 ASN A 129 -9.097 -3.901 14.164 1.00 1.39 O ATOM 550 ND2 ASN A 129 -8.701 -1.729 14.160 1.00 1.64 N ATOM 0 H ASN A 129 -6.977 -2.031 11.913 1.00 0.61 H new ATOM 0 HA ASN A 129 -8.107 -4.660 11.633 1.00 0.90 H new ATOM 0 HB2 ASN A 129 -9.227 -1.794 11.680 1.00 1.15 H new ATOM 0 HB3 ASN A 129 -10.212 -3.239 11.794 1.00 1.15 H new ATOM 0 HD21 ASN A 129 -8.528 -1.732 15.165 1.00 1.64 H new ATOM 0 HD22 ASN A 129 -8.633 -0.858 13.633 1.00 1.64 H new ATOM 557 N GLU A 130 -7.605 -3.199 8.923 1.00 0.74 N ATOM 558 CA GLU A 130 -7.972 -2.854 7.551 1.00 0.78 C ATOM 559 C GLU A 130 -6.825 -3.051 6.556 1.00 0.61 C ATOM 560 O GLU A 130 -5.794 -3.643 6.864 1.00 0.65 O ATOM 561 CB GLU A 130 -8.478 -1.402 7.491 1.00 0.94 C ATOM 562 CG GLU A 130 -9.597 -1.099 8.486 1.00 1.01 C ATOM 563 CD GLU A 130 -10.109 0.334 8.272 1.00 1.56 C ATOM 564 OE1 GLU A 130 -10.344 0.753 7.117 1.00 2.15 O ATOM 565 OE2 GLU A 130 -10.046 1.134 9.231 1.00 2.38 O ATOM 0 H GLU A 130 -6.637 -2.976 9.155 1.00 0.74 H new ATOM 0 HA GLU A 130 -8.767 -3.539 7.255 1.00 0.78 H new ATOM 0 HB2 GLU A 130 -7.643 -0.728 7.681 1.00 0.94 H new ATOM 0 HB3 GLU A 130 -8.834 -1.192 6.482 1.00 0.94 H new ATOM 0 HG2 GLU A 130 -10.413 -1.810 8.357 1.00 1.01 H new ATOM 0 HG3 GLU A 130 -9.231 -1.216 9.506 1.00 1.01 H new ATOM 572 N VAL A 131 -7.050 -2.567 5.335 1.00 0.60 N ATOM 573 CA VAL A 131 -6.207 -2.680 4.149 1.00 0.51 C ATOM 574 C VAL A 131 -6.383 -1.404 3.309 1.00 0.50 C ATOM 575 O VAL A 131 -7.416 -0.742 3.431 1.00 0.62 O ATOM 576 CB VAL A 131 -6.566 -3.919 3.310 1.00 0.57 C ATOM 577 CG1 VAL A 131 -6.206 -5.194 4.065 1.00 0.64 C ATOM 578 CG2 VAL A 131 -8.037 -3.994 2.888 1.00 0.65 C ATOM 0 H VAL A 131 -7.901 -2.041 5.135 1.00 0.60 H new ATOM 0 HA VAL A 131 -5.169 -2.794 4.462 1.00 0.51 H new ATOM 0 HB VAL A 131 -5.980 -3.824 2.396 1.00 0.57 H new ATOM 0 HG11 VAL A 131 -6.466 -6.062 3.459 1.00 0.64 H new ATOM 0 HG12 VAL A 131 -5.136 -5.204 4.273 1.00 0.64 H new ATOM 0 HG13 VAL A 131 -6.758 -5.229 5.004 1.00 0.64 H new ATOM 0 HG21 VAL A 131 -8.202 -4.898 2.301 1.00 0.65 H new ATOM 0 HG22 VAL A 131 -8.669 -4.018 3.775 1.00 0.65 H new ATOM 0 HG23 VAL A 131 -8.288 -3.120 2.287 1.00 0.65 H new ATOM 588 N ALA A 132 -5.414 -1.058 2.459 1.00 0.43 N ATOM 589 CA ALA A 132 -5.456 0.145 1.618 1.00 0.56 C ATOM 590 C ALA A 132 -4.916 -0.124 0.207 1.00 0.52 C ATOM 591 O ALA A 132 -3.794 -0.604 0.077 1.00 0.51 O ATOM 592 CB ALA A 132 -4.625 1.220 2.318 1.00 0.69 C ATOM 0 H ALA A 132 -4.566 -1.611 2.332 1.00 0.43 H new ATOM 0 HA ALA A 132 -6.489 0.470 1.494 1.00 0.56 H new ATOM 0 HB1 ALA A 132 -4.633 2.132 1.721 1.00 0.69 H new ATOM 0 HB2 ALA A 132 -5.050 1.426 3.300 1.00 0.69 H new ATOM 0 HB3 ALA A 132 -3.599 0.870 2.432 1.00 0.69 H new ATOM 598 N ARG A 133 -5.681 0.208 -0.844 1.00 0.58 N ATOM 599 CA ARG A 133 -5.249 0.023 -2.235 1.00 0.54 C ATOM 600 C ARG A 133 -4.726 1.314 -2.839 1.00 0.50 C ATOM 601 O ARG A 133 -5.382 2.351 -2.735 1.00 0.58 O ATOM 602 CB ARG A 133 -6.368 -0.541 -3.132 1.00 0.66 C ATOM 603 CG ARG A 133 -5.741 -1.261 -4.348 1.00 0.66 C ATOM 604 CD ARG A 133 -6.686 -2.238 -5.044 1.00 1.12 C ATOM 605 NE ARG A 133 -7.739 -1.536 -5.790 1.00 1.66 N ATOM 606 CZ ARG A 133 -8.886 -2.066 -6.191 1.00 2.72 C ATOM 607 NH1 ARG A 133 -9.202 -3.321 -5.927 1.00 3.79 N ATOM 608 NH2 ARG A 133 -9.730 -1.324 -6.877 1.00 3.64 N ATOM 0 H ARG A 133 -6.614 0.611 -0.753 1.00 0.58 H new ATOM 0 HA ARG A 133 -4.441 -0.707 -2.196 1.00 0.54 H new ATOM 0 HB2 ARG A 133 -6.988 -1.235 -2.565 1.00 0.66 H new ATOM 0 HB3 ARG A 133 -7.019 0.265 -3.469 1.00 0.66 H new ATOM 0 HG2 ARG A 133 -5.411 -0.514 -5.070 1.00 0.66 H new ATOM 0 HG3 ARG A 133 -4.853 -1.801 -4.020 1.00 0.66 H new ATOM 0 HD2 ARG A 133 -6.118 -2.871 -5.725 1.00 1.12 H new ATOM 0 HD3 ARG A 133 -7.141 -2.895 -4.303 1.00 1.12 H new ATOM 0 HE ARG A 133 -7.573 -0.556 -6.019 1.00 1.66 H new ATOM 0 HH11 ARG A 133 -8.556 -3.910 -5.401 1.00 3.79 H new ATOM 0 HH12 ARG A 133 -10.092 -3.701 -6.249 1.00 3.79 H new ATOM 0 HH21 ARG A 133 -9.498 -0.355 -7.093 1.00 3.64 H new ATOM 0 HH22 ARG A 133 -10.616 -1.718 -7.192 1.00 3.64 H new ATOM 622 N CYS A 134 -3.593 1.209 -3.525 1.00 0.45 N ATOM 623 CA CYS A 134 -3.105 2.233 -4.419 1.00 0.45 C ATOM 624 C CYS A 134 -4.136 2.535 -5.527 1.00 0.59 C ATOM 625 O CYS A 134 -4.792 1.641 -6.073 1.00 0.96 O ATOM 626 CB CYS A 134 -1.745 1.735 -4.912 1.00 0.40 C ATOM 627 SG CYS A 134 -0.738 2.904 -5.886 1.00 0.52 S ATOM 0 H CYS A 134 -2.983 0.393 -3.469 1.00 0.45 H new ATOM 0 HA CYS A 134 -2.970 3.200 -3.934 1.00 0.45 H new ATOM 0 HB2 CYS A 134 -1.162 1.427 -4.044 1.00 0.40 H new ATOM 0 HB3 CYS A 134 -1.910 0.844 -5.517 1.00 0.40 H new ATOM 632 N TRP A 135 -4.262 3.813 -5.871 1.00 0.78 N ATOM 633 CA TRP A 135 -5.002 4.249 -7.051 1.00 0.95 C ATOM 634 C TRP A 135 -4.097 4.361 -8.294 1.00 0.99 C ATOM 635 O TRP A 135 -4.615 4.529 -9.394 1.00 1.23 O ATOM 636 CB TRP A 135 -5.719 5.566 -6.715 1.00 1.08 C ATOM 637 CG TRP A 135 -4.850 6.767 -6.495 1.00 1.16 C ATOM 638 CD1 TRP A 135 -4.349 7.196 -5.314 1.00 1.19 C ATOM 639 CD2 TRP A 135 -4.349 7.698 -7.500 1.00 1.37 C ATOM 640 NE1 TRP A 135 -3.619 8.353 -5.514 1.00 1.38 N ATOM 641 CE2 TRP A 135 -3.571 8.699 -6.848 1.00 1.49 C ATOM 642 CE3 TRP A 135 -4.427 7.759 -8.906 1.00 1.54 C ATOM 643 CZ2 TRP A 135 -2.921 9.725 -7.553 1.00 1.71 C ATOM 644 CZ3 TRP A 135 -3.720 8.736 -9.627 1.00 1.76 C ATOM 645 CH2 TRP A 135 -2.985 9.730 -8.957 1.00 1.84 C ATOM 0 H TRP A 135 -3.852 4.579 -5.337 1.00 0.78 H new ATOM 0 HA TRP A 135 -5.748 3.499 -7.314 1.00 0.95 H new ATOM 0 HB2 TRP A 135 -6.413 5.792 -7.524 1.00 1.08 H new ATOM 0 HB3 TRP A 135 -6.316 5.409 -5.817 1.00 1.08 H new ATOM 0 HD1 TRP A 135 -4.497 6.709 -4.361 1.00 1.19 H new ATOM 0 HE1 TRP A 135 -3.171 8.885 -4.767 1.00 1.38 H new ATOM 0 HE3 TRP A 135 -5.039 7.045 -9.437 1.00 1.54 H new ATOM 0 HZ2 TRP A 135 -2.381 10.497 -7.025 1.00 1.71 H new ATOM 0 HZ3 TRP A 135 -3.741 8.723 -10.707 1.00 1.76 H new ATOM 0 HH2 TRP A 135 -2.471 10.495 -9.520 1.00 1.84 H new ATOM 656 N GLU A 136 -2.770 4.272 -8.124 1.00 0.80 N ATOM 657 CA GLU A 136 -1.801 4.575 -9.183 1.00 0.91 C ATOM 658 C GLU A 136 -1.269 3.292 -9.842 1.00 0.99 C ATOM 659 O GLU A 136 -1.539 3.072 -11.017 1.00 1.40 O ATOM 660 CB GLU A 136 -0.632 5.362 -8.592 1.00 0.79 C ATOM 661 CG GLU A 136 -0.802 6.878 -8.573 1.00 0.95 C ATOM 662 CD GLU A 136 -0.341 7.497 -9.898 1.00 1.20 C ATOM 663 OE1 GLU A 136 -1.099 7.500 -10.887 1.00 2.08 O ATOM 664 OE2 GLU A 136 0.851 7.875 -9.930 1.00 1.50 O ATOM 0 H GLU A 136 -2.339 3.987 -7.245 1.00 0.80 H new ATOM 0 HA GLU A 136 -2.307 5.166 -9.947 1.00 0.91 H new ATOM 0 HB2 GLU A 136 -0.466 5.020 -7.570 1.00 0.79 H new ATOM 0 HB3 GLU A 136 0.268 5.122 -9.158 1.00 0.79 H new ATOM 0 HG2 GLU A 136 -1.848 7.128 -8.394 1.00 0.95 H new ATOM 0 HG3 GLU A 136 -0.227 7.302 -7.749 1.00 0.95 H new ATOM 671 N CYS A 137 -0.525 2.442 -9.107 1.00 0.84 N ATOM 672 CA CYS A 137 -0.168 1.113 -9.592 1.00 0.97 C ATOM 673 C CYS A 137 -1.345 0.121 -9.415 1.00 1.18 C ATOM 674 O CYS A 137 -1.540 -0.778 -10.229 1.00 1.74 O ATOM 675 CB CYS A 137 1.146 0.623 -8.939 1.00 0.88 C ATOM 676 SG CYS A 137 1.319 0.714 -7.137 1.00 0.73 S ATOM 0 H CYS A 137 -0.165 2.660 -8.178 1.00 0.84 H new ATOM 0 HA CYS A 137 0.023 1.170 -10.664 1.00 0.97 H new ATOM 0 HB2 CYS A 137 1.291 -0.417 -9.231 1.00 0.88 H new ATOM 0 HB3 CYS A 137 1.964 1.194 -9.377 1.00 0.88 H new ATOM 681 N GLY A 138 -2.042 0.169 -8.274 1.00 0.75 N ATOM 682 CA GLY A 138 -3.168 -0.715 -7.929 1.00 0.83 C ATOM 683 C GLY A 138 -2.870 -1.789 -6.879 1.00 0.93 C ATOM 684 O GLY A 138 -3.668 -2.709 -6.718 1.00 1.10 O ATOM 0 H GLY A 138 -1.833 0.845 -7.540 1.00 0.75 H new ATOM 0 HA2 GLY A 138 -3.992 -0.099 -7.569 1.00 0.83 H new ATOM 0 HA3 GLY A 138 -3.512 -1.207 -8.839 1.00 0.83 H new ATOM 688 N SER A 139 -1.742 -1.732 -6.169 1.00 0.86 N ATOM 689 CA SER A 139 -1.411 -2.730 -5.146 1.00 0.81 C ATOM 690 C SER A 139 -2.144 -2.441 -3.834 1.00 0.60 C ATOM 691 O SER A 139 -2.167 -1.292 -3.407 1.00 0.59 O ATOM 692 CB SER A 139 0.105 -2.801 -4.909 1.00 0.87 C ATOM 693 OG SER A 139 0.776 -1.572 -4.930 1.00 1.64 O ATOM 0 H SER A 139 -1.038 -1.002 -6.283 1.00 0.86 H new ATOM 0 HA SER A 139 -1.744 -3.700 -5.516 1.00 0.81 H new ATOM 0 HB2 SER A 139 0.283 -3.276 -3.944 1.00 0.87 H new ATOM 0 HB3 SER A 139 0.544 -3.448 -5.668 1.00 0.87 H new ATOM 0 HG SER A 139 1.143 -1.384 -4.041 1.00 1.64 H new ATOM 699 N VAL A 140 -2.701 -3.459 -3.164 1.00 0.65 N ATOM 700 CA VAL A 140 -3.117 -3.310 -1.759 1.00 0.53 C ATOM 701 C VAL A 140 -1.906 -3.426 -0.832 1.00 0.44 C ATOM 702 O VAL A 140 -0.948 -4.128 -1.143 1.00 0.53 O ATOM 703 CB VAL A 140 -4.271 -4.255 -1.353 1.00 0.71 C ATOM 704 CG1 VAL A 140 -4.741 -4.040 0.093 1.00 0.71 C ATOM 705 CG2 VAL A 140 -5.496 -3.964 -2.227 1.00 1.05 C ATOM 0 H VAL A 140 -2.873 -4.382 -3.563 1.00 0.65 H new ATOM 0 HA VAL A 140 -3.533 -2.308 -1.651 1.00 0.53 H new ATOM 0 HB VAL A 140 -3.885 -5.268 -1.470 1.00 0.71 H new ATOM 0 HG11 VAL A 140 -5.552 -4.732 0.319 1.00 0.71 H new ATOM 0 HG12 VAL A 140 -3.911 -4.219 0.776 1.00 0.71 H new ATOM 0 HG13 VAL A 140 -5.094 -3.016 0.212 1.00 0.71 H new ATOM 0 HG21 VAL A 140 -6.312 -4.629 -1.943 1.00 1.05 H new ATOM 0 HG22 VAL A 140 -5.806 -2.929 -2.086 1.00 1.05 H new ATOM 0 HG23 VAL A 140 -5.243 -4.127 -3.275 1.00 1.05 H new ATOM 715 N TYR A 141 -1.993 -2.741 0.305 1.00 0.36 N ATOM 716 CA TYR A 141 -1.043 -2.633 1.402 1.00 0.31 C ATOM 717 C TYR A 141 -1.770 -2.809 2.732 1.00 0.36 C ATOM 718 O TYR A 141 -2.903 -2.347 2.897 1.00 0.50 O ATOM 719 CB TYR A 141 -0.419 -1.233 1.385 1.00 0.29 C ATOM 720 CG TYR A 141 0.473 -0.981 0.198 1.00 0.33 C ATOM 721 CD1 TYR A 141 -0.059 -0.545 -1.033 1.00 1.99 C ATOM 722 CD2 TYR A 141 1.848 -1.232 0.326 1.00 1.95 C ATOM 723 CE1 TYR A 141 0.775 -0.424 -2.155 1.00 2.04 C ATOM 724 CE2 TYR A 141 2.687 -1.113 -0.789 1.00 1.97 C ATOM 725 CZ TYR A 141 2.144 -0.765 -2.045 1.00 0.59 C ATOM 726 OH TYR A 141 2.933 -0.819 -3.148 1.00 0.81 O ATOM 0 H TYR A 141 -2.827 -2.186 0.499 1.00 0.36 H new ATOM 0 HA TYR A 141 -0.277 -3.400 1.289 1.00 0.31 H new ATOM 0 HB2 TYR A 141 -1.216 -0.490 1.393 1.00 0.29 H new ATOM 0 HB3 TYR A 141 0.158 -1.091 2.299 1.00 0.29 H new ATOM 0 HD1 TYR A 141 -1.109 -0.304 -1.112 1.00 1.99 H new ATOM 0 HD2 TYR A 141 2.259 -1.517 1.283 1.00 1.95 H new ATOM 0 HE1 TYR A 141 0.375 -0.073 -3.095 1.00 2.04 H new ATOM 0 HE2 TYR A 141 3.748 -1.287 -0.688 1.00 1.97 H new ATOM 0 HH TYR A 141 3.233 0.085 -3.380 1.00 0.81 H new ATOM 736 N LYS A 142 -1.121 -3.451 3.699 1.00 0.35 N ATOM 737 CA LYS A 142 -1.683 -3.651 5.023 1.00 0.32 C ATOM 738 C LYS A 142 -0.858 -2.974 6.112 1.00 0.36 C ATOM 739 O LYS A 142 0.362 -2.819 6.014 1.00 0.41 O ATOM 740 CB LYS A 142 -1.801 -5.152 5.300 1.00 0.41 C ATOM 741 CG LYS A 142 -2.953 -5.359 6.278 1.00 0.43 C ATOM 742 CD LYS A 142 -3.089 -6.805 6.698 1.00 0.83 C ATOM 743 CE LYS A 142 -4.390 -6.853 7.493 1.00 1.08 C ATOM 744 NZ LYS A 142 -4.780 -8.258 7.737 1.00 2.23 N ATOM 0 H LYS A 142 -0.188 -3.847 3.582 1.00 0.35 H new ATOM 0 HA LYS A 142 -2.670 -3.189 5.042 1.00 0.32 H new ATOM 0 HB2 LYS A 142 -1.984 -5.698 4.374 1.00 0.41 H new ATOM 0 HB3 LYS A 142 -0.871 -5.537 5.719 1.00 0.41 H new ATOM 0 HG2 LYS A 142 -2.795 -4.739 7.160 1.00 0.43 H new ATOM 0 HG3 LYS A 142 -3.883 -5.027 5.817 1.00 0.43 H new ATOM 0 HD2 LYS A 142 -3.128 -7.467 5.833 1.00 0.83 H new ATOM 0 HD3 LYS A 142 -2.241 -7.123 7.305 1.00 0.83 H new ATOM 0 HE2 LYS A 142 -4.266 -6.331 8.442 1.00 1.08 H new ATOM 0 HE3 LYS A 142 -5.179 -6.337 6.946 1.00 1.08 H new ATOM 0 HZ1 LYS A 142 -5.756 -8.290 8.094 1.00 2.23 H new ATOM 0 HZ2 LYS A 142 -4.719 -8.795 6.848 1.00 2.23 H new ATOM 0 HZ3 LYS A 142 -4.140 -8.679 8.440 1.00 2.23 H new ATOM 758 N LEU A 143 -1.551 -2.629 7.196 1.00 0.41 N ATOM 759 CA LEU A 143 -0.923 -2.264 8.454 1.00 0.40 C ATOM 760 C LEU A 143 -0.888 -3.435 9.426 1.00 0.42 C ATOM 761 O LEU A 143 -1.822 -4.222 9.537 1.00 0.64 O ATOM 762 CB LEU A 143 -1.695 -1.111 9.071 1.00 0.46 C ATOM 763 CG LEU A 143 -0.925 -0.462 10.230 1.00 0.59 C ATOM 764 CD1 LEU A 143 -1.072 1.028 10.049 1.00 0.46 C ATOM 765 CD2 LEU A 143 -1.454 -0.821 11.617 1.00 0.94 C ATOM 0 H LEU A 143 -2.570 -2.596 7.221 1.00 0.41 H new ATOM 0 HA LEU A 143 0.107 -1.971 8.253 1.00 0.40 H new ATOM 0 HB2 LEU A 143 -1.900 -0.361 8.307 1.00 0.46 H new ATOM 0 HB3 LEU A 143 -2.659 -1.471 9.432 1.00 0.46 H new ATOM 0 HG LEU A 143 0.103 -0.821 10.194 1.00 0.59 H new ATOM 0 HD11 LEU A 143 -0.542 1.546 10.849 1.00 0.46 H new ATOM 0 HD12 LEU A 143 -0.652 1.321 9.087 1.00 0.46 H new ATOM 0 HD13 LEU A 143 -2.128 1.296 10.081 1.00 0.46 H new ATOM 0 HD21 LEU A 143 -0.853 -0.320 12.376 1.00 0.94 H new ATOM 0 HD22 LEU A 143 -2.492 -0.499 11.705 1.00 0.94 H new ATOM 0 HD23 LEU A 143 -1.395 -1.900 11.761 1.00 0.94 H new ATOM 777 N ASN A 144 0.202 -3.491 10.172 1.00 0.41 N ATOM 778 CA ASN A 144 0.538 -4.586 11.069 1.00 0.51 C ATOM 779 C ASN A 144 0.335 -4.160 12.544 1.00 0.62 C ATOM 780 O ASN A 144 0.410 -2.974 12.854 1.00 0.67 O ATOM 781 CB ASN A 144 1.963 -5.114 10.767 1.00 0.60 C ATOM 782 CG ASN A 144 2.739 -4.372 9.676 1.00 1.45 C ATOM 783 OD1 ASN A 144 2.259 -4.055 8.596 1.00 3.01 O ATOM 784 ND2 ASN A 144 4.024 -4.208 9.864 1.00 0.92 N ATOM 0 H ASN A 144 0.903 -2.750 10.170 1.00 0.41 H new ATOM 0 HA ASN A 144 -0.140 -5.422 10.898 1.00 0.51 H new ATOM 0 HB2 ASN A 144 2.545 -5.076 11.688 1.00 0.60 H new ATOM 0 HB3 ASN A 144 1.887 -6.163 10.481 1.00 0.60 H new ATOM 0 HD21 ASN A 144 4.603 -3.823 9.118 1.00 0.92 H new ATOM 0 HD22 ASN A 144 4.446 -4.465 10.756 1.00 0.92 H new ATOM 791 N PRO A 145 0.124 -5.108 13.480 1.00 0.80 N ATOM 792 CA PRO A 145 -0.157 -4.833 14.898 1.00 0.99 C ATOM 793 C PRO A 145 1.041 -4.302 15.692 1.00 1.01 C ATOM 794 O PRO A 145 0.898 -3.951 16.857 1.00 1.33 O ATOM 795 CB PRO A 145 -0.552 -6.189 15.480 1.00 1.21 C ATOM 796 CG PRO A 145 0.318 -7.133 14.661 1.00 1.17 C ATOM 797 CD PRO A 145 0.185 -6.543 13.263 1.00 0.96 C ATOM 0 HA PRO A 145 -0.919 -4.056 14.967 1.00 0.99 H new ATOM 0 HB2 PRO A 145 -0.339 -6.256 16.547 1.00 1.21 H new ATOM 0 HB3 PRO A 145 -1.615 -6.396 15.354 1.00 1.21 H new ATOM 0 HG2 PRO A 145 1.352 -7.139 15.006 1.00 1.17 H new ATOM 0 HG3 PRO A 145 -0.039 -8.162 14.707 1.00 1.17 H new ATOM 0 HD2 PRO A 145 1.034 -6.814 12.635 1.00 0.96 H new ATOM 0 HD3 PRO A 145 -0.712 -6.907 12.762 1.00 0.96 H new ATOM 805 N VAL A 146 2.218 -4.326 15.075 1.00 0.85 N ATOM 806 CA VAL A 146 3.520 -3.937 15.607 1.00 0.91 C ATOM 807 C VAL A 146 3.495 -2.671 16.479 1.00 1.20 C ATOM 808 O VAL A 146 2.821 -1.693 16.168 1.00 1.90 O ATOM 809 CB VAL A 146 4.539 -3.809 14.458 1.00 1.13 C ATOM 810 CG1 VAL A 146 4.169 -2.660 13.528 1.00 0.91 C ATOM 811 CG2 VAL A 146 5.973 -3.681 14.971 1.00 2.01 C ATOM 0 H VAL A 146 2.292 -4.645 14.109 1.00 0.85 H new ATOM 0 HA VAL A 146 3.828 -4.734 16.283 1.00 0.91 H new ATOM 0 HB VAL A 146 4.497 -4.733 13.881 1.00 1.13 H new ATOM 0 HG11 VAL A 146 4.903 -2.590 12.726 1.00 0.91 H new ATOM 0 HG12 VAL A 146 3.182 -2.840 13.102 1.00 0.91 H new ATOM 0 HG13 VAL A 146 4.157 -1.726 14.090 1.00 0.91 H new ATOM 0 HG21 VAL A 146 6.655 -3.593 14.126 1.00 2.01 H new ATOM 0 HG22 VAL A 146 6.057 -2.794 15.599 1.00 2.01 H new ATOM 0 HG23 VAL A 146 6.231 -4.564 15.555 1.00 2.01 H new ATOM 821 N GLY A 147 4.305 -2.683 17.539 1.00 1.22 N ATOM 822 CA GLY A 147 4.698 -1.542 18.344 1.00 1.51 C ATOM 823 C GLY A 147 6.213 -1.570 18.483 1.00 1.99 C ATOM 824 O GLY A 147 6.847 -2.619 18.393 1.00 2.06 O ATOM 0 H GLY A 147 4.727 -3.549 17.873 1.00 1.22 H new ATOM 0 HA2 GLY A 147 4.375 -0.613 17.874 1.00 1.51 H new ATOM 0 HA3 GLY A 147 4.224 -1.585 19.324 1.00 1.51 H new TER 828 GLY A 147 HETATM 829 ZN ZN A 156 1.737 2.814 -6.103 1.00 0.46 ZN