USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 447 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 THR OG1 : rot 180:sc= 0.113 USER MOD Set 1.2: A 39 GLN : amide:sc= -0.0918 K(o=0.021,f=-1.9!) USER MOD Single : A 1 SER N :NH3+ -114:sc= 0.556 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.253 USER MOD Single : A 3 THR OG1 : rot -155:sc= 1.37 USER MOD Single : A 8 ASN : amide:sc= -0.103 K(o=-0.1,f=-3.3) USER MOD Single : A 9 THR OG1 : rot -140:sc= -2.54! USER MOD Single : A 11 SER OG : rot -59:sc= 0.29 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -118:sc= 0.228 (180deg=0) USER MOD Single : A 18 TYR OH : rot 81:sc= 0.854 USER MOD Single : A 21 GLN : amide:sc= 0.668 K(o=0.67,f=-0.033) USER MOD Single : A 22 SER OG : rot 72:sc= 0.103 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0779 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0135 USER MOD Single : A 38 SER OG : rot 91:sc=-0.00385 USER MOD Single : A 43 SER OG : rot 180:sc= 0.079 USER MOD Single : A 45 LYS NZ :NH3+ -138:sc= 0.783 (180deg=-0.471!) USER MOD Single : A 48 LYS NZ :NH3+ -150:sc= 1.33 (180deg=0.0792) USER MOD Single : A 52 THR OG1 : rot -82:sc= 1.43 USER MOD Single : A 53 ASN : amide:sc= -0.165 K(o=-0.17,f=-2!) USER MOD Single : A 54 THR OG1 : rot 83:sc= 0.0649 USER MOD Single : A 56 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.9!) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0667 USER MOD Single : A 62 ASN : amide:sc= 0.0783 X(o=0.078,f=0) USER MOD Single : A 65 ASN : amide:sc= -4.53! C(o=-4.5!,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.800 15.466 -9.242 1.00 0.00 N ATOM 2 CA SER A 1 2.299 14.190 -9.787 1.00 0.00 C ATOM 3 C SER A 1 1.622 13.364 -8.692 1.00 0.00 C ATOM 4 O SER A 1 0.500 13.663 -8.285 1.00 0.00 O ATOM 5 CB SER A 1 3.456 13.411 -10.418 1.00 0.00 C ATOM 6 OG SER A 1 4.687 14.094 -10.235 1.00 0.00 O ATOM 0 H1 SER A 1 2.272 16.256 -9.665 1.00 0.00 H new ATOM 0 H2 SER A 1 2.671 15.477 -8.210 1.00 0.00 H new ATOM 0 H3 SER A 1 3.811 15.566 -9.466 1.00 0.00 H new ATOM 0 HA SER A 1 1.554 14.400 -10.555 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.517 12.418 -9.972 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.268 13.272 -11.483 1.00 0.00 H new ATOM 0 HG SER A 1 5.412 13.577 -10.645 1.00 0.00 H new ATOM 14 N ALA A 2 2.306 12.332 -8.210 1.00 0.00 N ATOM 15 CA ALA A 2 1.747 11.460 -7.184 1.00 0.00 C ATOM 16 C ALA A 2 2.453 11.676 -5.852 1.00 0.00 C ATOM 17 O ALA A 2 3.273 12.586 -5.717 1.00 0.00 O ATOM 18 CB ALA A 2 1.852 10.006 -7.617 1.00 0.00 C ATOM 0 H ALA A 2 3.247 12.079 -8.513 1.00 0.00 H new ATOM 0 HA ALA A 2 0.694 11.709 -7.053 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.431 9.364 -6.843 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.301 9.862 -8.546 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.899 9.748 -7.773 1.00 0.00 H new ATOM 24 N THR A 3 2.146 10.838 -4.873 1.00 0.00 N ATOM 25 CA THR A 3 2.760 10.953 -3.566 1.00 0.00 C ATOM 26 C THR A 3 4.159 10.365 -3.582 1.00 0.00 C ATOM 27 O THR A 3 4.350 9.190 -3.890 1.00 0.00 O ATOM 28 CB THR A 3 1.926 10.231 -2.504 1.00 0.00 C ATOM 29 OG1 THR A 3 0.889 9.472 -3.143 1.00 0.00 O ATOM 30 CG2 THR A 3 1.316 11.224 -1.528 1.00 0.00 C ATOM 0 H THR A 3 1.476 10.074 -4.962 1.00 0.00 H new ATOM 0 HA THR A 3 2.813 12.013 -3.318 1.00 0.00 H new ATOM 0 HB THR A 3 2.578 9.560 -1.945 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.143 9.347 -2.519 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.728 10.688 -0.783 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.111 11.781 -1.031 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.671 11.917 -2.069 1.00 0.00 H new ATOM 38 N THR A 4 5.130 11.194 -3.255 1.00 0.00 N ATOM 39 CA THR A 4 6.524 10.794 -3.300 1.00 0.00 C ATOM 40 C THR A 4 7.036 10.483 -1.903 1.00 0.00 C ATOM 41 O THR A 4 7.209 11.382 -1.077 1.00 0.00 O ATOM 42 CB THR A 4 7.387 11.896 -3.936 1.00 0.00 C ATOM 43 OG1 THR A 4 6.582 12.682 -4.827 1.00 0.00 O ATOM 44 CG2 THR A 4 8.562 11.296 -4.697 1.00 0.00 C ATOM 0 H THR A 4 4.978 12.156 -2.953 1.00 0.00 H new ATOM 0 HA THR A 4 6.595 9.895 -3.912 1.00 0.00 H new ATOM 0 HB THR A 4 7.781 12.529 -3.141 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.132 13.385 -5.231 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.157 12.096 -5.137 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.182 10.718 -4.012 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.189 10.644 -5.487 1.00 0.00 H new ATOM 52 N ILE A 5 7.255 9.207 -1.634 1.00 0.00 N ATOM 53 CA ILE A 5 7.754 8.786 -0.339 1.00 0.00 C ATOM 54 C ILE A 5 9.273 8.647 -0.394 1.00 0.00 C ATOM 55 O ILE A 5 9.832 8.177 -1.391 1.00 0.00 O ATOM 56 CB ILE A 5 7.082 7.467 0.150 1.00 0.00 C ATOM 57 CG1 ILE A 5 7.981 6.245 -0.072 1.00 0.00 C ATOM 58 CG2 ILE A 5 5.739 7.258 -0.536 1.00 0.00 C ATOM 59 CD1 ILE A 5 8.420 5.575 1.211 1.00 0.00 C ATOM 0 H ILE A 5 7.095 8.447 -2.295 1.00 0.00 H new ATOM 0 HA ILE A 5 7.493 9.553 0.390 1.00 0.00 H new ATOM 0 HB ILE A 5 6.922 7.571 1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.448 5.520 -0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.864 6.551 -0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.289 6.332 -0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.079 8.094 -0.306 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.887 7.198 -1.614 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.053 4.719 0.976 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.981 6.285 1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.543 5.237 1.764 1.00 0.00 H new ATOM 71 N GLY A 6 9.935 9.089 0.663 1.00 0.00 N ATOM 72 CA GLY A 6 11.380 9.047 0.694 1.00 0.00 C ATOM 73 C GLY A 6 11.896 7.905 1.540 1.00 0.00 C ATOM 74 O GLY A 6 11.555 6.748 1.294 1.00 0.00 O ATOM 0 H GLY A 6 9.498 9.476 1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 6 11.762 8.947 -0.322 1.00 0.00 H new ATOM 0 HA3 GLY A 6 11.762 9.990 1.086 1.00 0.00 H new ATOM 78 N PRO A 7 12.705 8.200 2.564 1.00 0.00 N ATOM 79 CA PRO A 7 13.270 7.176 3.438 1.00 0.00 C ATOM 80 C PRO A 7 12.261 6.680 4.474 1.00 0.00 C ATOM 81 O PRO A 7 12.356 7.001 5.662 1.00 0.00 O ATOM 82 CB PRO A 7 14.439 7.900 4.107 1.00 0.00 C ATOM 83 CG PRO A 7 14.033 9.334 4.135 1.00 0.00 C ATOM 84 CD PRO A 7 13.150 9.557 2.938 1.00 0.00 C ATOM 0 HA PRO A 7 13.568 6.280 2.894 1.00 0.00 H new ATOM 0 HB2 PRO A 7 14.616 7.519 5.113 1.00 0.00 H new ATOM 0 HB3 PRO A 7 15.363 7.761 3.546 1.00 0.00 H new ATOM 0 HG2 PRO A 7 13.501 9.568 5.057 1.00 0.00 H new ATOM 0 HG3 PRO A 7 14.907 9.984 4.098 1.00 0.00 H new ATOM 0 HD2 PRO A 7 12.305 10.202 3.180 1.00 0.00 H new ATOM 0 HD3 PRO A 7 13.694 10.037 2.125 1.00 0.00 H new ATOM 92 N ASN A 8 11.285 5.911 3.988 1.00 0.00 N ATOM 93 CA ASN A 8 10.273 5.264 4.827 1.00 0.00 C ATOM 94 C ASN A 8 9.347 6.281 5.490 1.00 0.00 C ATOM 95 O ASN A 8 9.670 6.857 6.530 1.00 0.00 O ATOM 96 CB ASN A 8 10.918 4.369 5.894 1.00 0.00 C ATOM 97 CG ASN A 8 9.897 3.508 6.620 1.00 0.00 C ATOM 98 OD1 ASN A 8 8.803 3.259 6.111 1.00 0.00 O ATOM 99 ND2 ASN A 8 10.237 3.059 7.820 1.00 0.00 N ATOM 0 H ASN A 8 11.173 5.718 2.993 1.00 0.00 H new ATOM 0 HA ASN A 8 9.673 4.640 4.165 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.663 3.727 5.424 1.00 0.00 H new ATOM 0 HB3 ASN A 8 11.445 4.992 6.617 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.583 2.487 8.354 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.152 3.286 8.209 1.00 0.00 H new ATOM 106 N THR A 9 8.183 6.480 4.888 1.00 0.00 N ATOM 107 CA THR A 9 7.173 7.375 5.436 1.00 0.00 C ATOM 108 C THR A 9 6.272 6.635 6.427 1.00 0.00 C ATOM 109 O THR A 9 5.197 7.105 6.795 1.00 0.00 O ATOM 110 CB THR A 9 6.332 7.985 4.303 1.00 0.00 C ATOM 111 OG1 THR A 9 7.157 8.141 3.140 1.00 0.00 O ATOM 112 CG2 THR A 9 5.758 9.337 4.701 1.00 0.00 C ATOM 0 H THR A 9 7.913 6.030 4.013 1.00 0.00 H new ATOM 0 HA THR A 9 7.680 8.179 5.970 1.00 0.00 H new ATOM 0 HB THR A 9 5.499 7.314 4.093 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.946 8.991 2.701 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.169 9.739 3.877 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.121 9.218 5.578 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.572 10.023 4.934 1.00 0.00 H new ATOM 120 N CYS A 10 6.724 5.461 6.845 1.00 0.00 N ATOM 121 CA CYS A 10 6.024 4.676 7.848 1.00 0.00 C ATOM 122 C CYS A 10 7.021 4.154 8.876 1.00 0.00 C ATOM 123 O CYS A 10 7.121 2.947 9.116 1.00 0.00 O ATOM 124 CB CYS A 10 5.271 3.519 7.189 1.00 0.00 C ATOM 125 SG CYS A 10 3.717 4.017 6.377 1.00 0.00 S ATOM 0 H CYS A 10 7.581 5.029 6.500 1.00 0.00 H new ATOM 0 HA CYS A 10 5.295 5.309 8.354 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.921 3.049 6.451 1.00 0.00 H new ATOM 0 HB3 CYS A 10 5.049 2.765 7.945 1.00 0.00 H new ATOM 130 N SER A 11 7.764 5.077 9.479 1.00 0.00 N ATOM 131 CA SER A 11 8.804 4.734 10.436 1.00 0.00 C ATOM 132 C SER A 11 8.208 4.392 11.802 1.00 0.00 C ATOM 133 O SER A 11 8.440 5.079 12.797 1.00 0.00 O ATOM 134 CB SER A 11 9.789 5.895 10.552 1.00 0.00 C ATOM 135 OG SER A 11 9.610 6.819 9.484 1.00 0.00 O ATOM 0 H SER A 11 7.661 6.079 9.317 1.00 0.00 H new ATOM 0 HA SER A 11 9.331 3.849 10.079 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.648 6.403 11.506 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.810 5.514 10.542 1.00 0.00 H new ATOM 0 HG SER A 11 9.749 6.361 8.629 1.00 0.00 H new ATOM 141 N ILE A 12 7.421 3.328 11.830 1.00 0.00 N ATOM 142 CA ILE A 12 6.822 2.842 13.059 1.00 0.00 C ATOM 143 C ILE A 12 7.545 1.591 13.521 1.00 0.00 C ATOM 144 O ILE A 12 8.081 1.534 14.628 1.00 0.00 O ATOM 145 CB ILE A 12 5.328 2.503 12.867 1.00 0.00 C ATOM 146 CG1 ILE A 12 4.607 3.644 12.154 1.00 0.00 C ATOM 147 CG2 ILE A 12 4.666 2.203 14.204 1.00 0.00 C ATOM 148 CD1 ILE A 12 3.558 3.171 11.173 1.00 0.00 C ATOM 0 H ILE A 12 7.181 2.780 11.004 1.00 0.00 H new ATOM 0 HA ILE A 12 6.909 3.634 13.803 1.00 0.00 H new ATOM 0 HB ILE A 12 5.258 1.610 12.246 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.135 4.287 12.897 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.340 4.253 11.625 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.614 1.967 14.044 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.162 1.353 14.673 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.748 3.074 14.854 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.085 4.033 10.702 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.028 2.552 10.408 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.804 2.586 11.700 1.00 0.00 H new ATOM 160 N ASP A 13 7.565 0.602 12.641 1.00 0.00 N ATOM 161 CA ASP A 13 8.156 -0.698 12.921 1.00 0.00 C ATOM 162 C ASP A 13 8.219 -1.493 11.620 1.00 0.00 C ATOM 163 O ASP A 13 8.547 -0.933 10.572 1.00 0.00 O ATOM 164 CB ASP A 13 7.320 -1.438 13.969 1.00 0.00 C ATOM 165 CG ASP A 13 8.066 -2.574 14.636 1.00 0.00 C ATOM 166 OD1 ASP A 13 8.978 -2.304 15.446 1.00 0.00 O ATOM 167 OD2 ASP A 13 7.737 -3.744 14.356 1.00 0.00 O ATOM 0 H ASP A 13 7.168 0.679 11.705 1.00 0.00 H new ATOM 0 HA ASP A 13 9.163 -0.575 13.320 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.995 -0.729 14.731 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.421 -1.832 13.495 1.00 0.00 H new ATOM 172 N ASP A 14 7.868 -2.773 11.661 1.00 0.00 N ATOM 173 CA ASP A 14 7.843 -3.590 10.452 1.00 0.00 C ATOM 174 C ASP A 14 6.541 -3.366 9.685 1.00 0.00 C ATOM 175 O ASP A 14 5.766 -4.292 9.443 1.00 0.00 O ATOM 176 CB ASP A 14 8.014 -5.074 10.780 1.00 0.00 C ATOM 177 CG ASP A 14 8.184 -5.915 9.529 1.00 0.00 C ATOM 178 OD1 ASP A 14 8.759 -5.410 8.540 1.00 0.00 O ATOM 179 OD2 ASP A 14 7.730 -7.081 9.522 1.00 0.00 O ATOM 0 H ASP A 14 7.598 -3.266 12.512 1.00 0.00 H new ATOM 0 HA ASP A 14 8.681 -3.284 9.826 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.882 -5.205 11.426 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.146 -5.425 11.338 1.00 0.00 H new ATOM 184 N TYR A 15 6.300 -2.116 9.333 1.00 0.00 N ATOM 185 CA TYR A 15 5.148 -1.749 8.538 1.00 0.00 C ATOM 186 C TYR A 15 5.607 -0.938 7.341 1.00 0.00 C ATOM 187 O TYR A 15 6.305 0.068 7.495 1.00 0.00 O ATOM 188 CB TYR A 15 4.141 -0.960 9.378 1.00 0.00 C ATOM 189 CG TYR A 15 3.107 -1.844 10.031 1.00 0.00 C ATOM 190 CD1 TYR A 15 2.176 -2.526 9.263 1.00 0.00 C ATOM 191 CD2 TYR A 15 3.068 -2.007 11.408 1.00 0.00 C ATOM 192 CE1 TYR A 15 1.238 -3.350 9.844 1.00 0.00 C ATOM 193 CE2 TYR A 15 2.128 -2.829 12.001 1.00 0.00 C ATOM 194 CZ TYR A 15 1.213 -3.499 11.213 1.00 0.00 C ATOM 195 OH TYR A 15 0.278 -4.326 11.790 1.00 0.00 O ATOM 0 H TYR A 15 6.897 -1.330 9.591 1.00 0.00 H new ATOM 0 HA TYR A 15 4.648 -2.652 8.187 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.674 -0.402 10.148 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.640 -0.229 8.744 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.187 -2.409 8.189 1.00 0.00 H new ATOM 0 HD2 TYR A 15 3.783 -1.484 12.026 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.524 -3.878 9.228 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.109 -2.947 13.074 1.00 0.00 H new ATOM 0 HH TYR A 15 0.394 -4.323 12.763 1.00 0.00 H new ATOM 205 N LYS A 16 5.237 -1.387 6.155 1.00 0.00 N ATOM 206 CA LYS A 16 5.727 -0.785 4.929 1.00 0.00 C ATOM 207 C LYS A 16 4.768 0.292 4.439 1.00 0.00 C ATOM 208 O LYS A 16 3.574 0.254 4.746 1.00 0.00 O ATOM 209 CB LYS A 16 5.914 -1.862 3.852 1.00 0.00 C ATOM 210 CG LYS A 16 6.901 -2.955 4.241 1.00 0.00 C ATOM 211 CD LYS A 16 8.244 -2.376 4.662 1.00 0.00 C ATOM 212 CE LYS A 16 9.175 -3.460 5.183 1.00 0.00 C ATOM 213 NZ LYS A 16 9.665 -3.168 6.557 1.00 0.00 N ATOM 0 H LYS A 16 4.597 -2.169 6.015 1.00 0.00 H new ATOM 0 HA LYS A 16 6.691 -0.318 5.133 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.948 -2.318 3.636 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.256 -1.387 2.932 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.487 -3.545 5.058 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.044 -3.632 3.399 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.707 -1.873 3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.091 -1.623 5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.653 -4.417 5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.026 -3.560 4.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.700 -3.068 6.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.236 -2.284 6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.402 -3.948 7.193 1.00 0.00 H new ATOM 227 N PRO A 17 5.285 1.278 3.696 1.00 0.00 N ATOM 228 CA PRO A 17 4.476 2.351 3.132 1.00 0.00 C ATOM 229 C PRO A 17 3.733 1.905 1.878 1.00 0.00 C ATOM 230 O PRO A 17 4.311 1.790 0.795 1.00 0.00 O ATOM 231 CB PRO A 17 5.499 3.450 2.790 1.00 0.00 C ATOM 232 CG PRO A 17 6.825 2.941 3.263 1.00 0.00 C ATOM 233 CD PRO A 17 6.696 1.448 3.359 1.00 0.00 C ATOM 0 HA PRO A 17 3.704 2.683 3.826 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.516 3.647 1.718 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.243 4.388 3.282 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.618 3.218 2.568 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.084 3.372 4.230 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.952 0.957 2.420 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.350 1.032 4.125 1.00 0.00 H new ATOM 241 N TYR A 18 2.458 1.625 2.044 1.00 0.00 N ATOM 242 CA TYR A 18 1.598 1.278 0.931 1.00 0.00 C ATOM 243 C TYR A 18 0.814 2.514 0.508 1.00 0.00 C ATOM 244 O TYR A 18 0.893 3.553 1.159 1.00 0.00 O ATOM 245 CB TYR A 18 0.627 0.161 1.325 1.00 0.00 C ATOM 246 CG TYR A 18 1.246 -1.219 1.413 1.00 0.00 C ATOM 247 CD1 TYR A 18 2.114 -1.553 2.445 1.00 0.00 C ATOM 248 CD2 TYR A 18 0.943 -2.198 0.473 1.00 0.00 C ATOM 249 CE1 TYR A 18 2.664 -2.816 2.536 1.00 0.00 C ATOM 250 CE2 TYR A 18 1.492 -3.465 0.556 1.00 0.00 C ATOM 251 CZ TYR A 18 2.349 -3.766 1.591 1.00 0.00 C ATOM 252 OH TYR A 18 2.892 -5.027 1.685 1.00 0.00 O ATOM 0 H TYR A 18 1.989 1.631 2.950 1.00 0.00 H new ATOM 0 HA TYR A 18 2.212 0.922 0.104 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.185 0.407 2.290 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.186 0.133 0.600 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.363 -0.811 3.189 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.267 -1.965 -0.336 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.338 -3.057 3.345 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.250 -4.212 -0.185 1.00 0.00 H new ATOM 0 HH TYR A 18 2.384 -5.554 2.336 1.00 0.00 H new ATOM 262 N CYS A 19 0.075 2.410 -0.578 1.00 0.00 N ATOM 263 CA CYS A 19 -0.776 3.498 -1.024 1.00 0.00 C ATOM 264 C CYS A 19 -2.141 2.963 -1.416 1.00 0.00 C ATOM 265 O CYS A 19 -2.350 2.534 -2.555 1.00 0.00 O ATOM 266 CB CYS A 19 -0.142 4.233 -2.200 1.00 0.00 C ATOM 267 SG CYS A 19 -0.100 6.044 -2.006 1.00 0.00 S ATOM 0 H CYS A 19 0.046 1.581 -1.171 1.00 0.00 H new ATOM 0 HA CYS A 19 -0.893 4.204 -0.202 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.876 3.869 -2.337 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.693 3.988 -3.108 1.00 0.00 H new ATOM 272 N CYS A 20 -3.061 2.982 -0.467 1.00 0.00 N ATOM 273 CA CYS A 20 -4.375 2.402 -0.675 1.00 0.00 C ATOM 274 C CYS A 20 -5.301 3.392 -1.351 1.00 0.00 C ATOM 275 O CYS A 20 -5.607 4.453 -0.804 1.00 0.00 O ATOM 276 CB CYS A 20 -4.976 1.929 0.651 1.00 0.00 C ATOM 277 SG CYS A 20 -4.557 0.206 1.069 1.00 0.00 S ATOM 0 H CYS A 20 -2.921 3.393 0.456 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.261 1.538 -1.329 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -4.629 2.583 1.451 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -6.060 2.029 0.605 1.00 0.00 H new ATOM 282 N GLN A 21 -5.724 3.044 -2.551 1.00 0.00 N ATOM 283 CA GLN A 21 -6.669 3.854 -3.288 1.00 0.00 C ATOM 284 C GLN A 21 -8.078 3.370 -2.993 1.00 0.00 C ATOM 285 O GLN A 21 -8.364 2.173 -3.089 1.00 0.00 O ATOM 286 CB GLN A 21 -6.392 3.785 -4.794 1.00 0.00 C ATOM 287 CG GLN A 21 -5.073 3.110 -5.154 1.00 0.00 C ATOM 288 CD GLN A 21 -4.028 4.088 -5.659 1.00 0.00 C ATOM 289 OE1 GLN A 21 -4.234 4.774 -6.659 1.00 0.00 O ATOM 290 NE2 GLN A 21 -2.893 4.154 -4.976 1.00 0.00 N ATOM 0 H GLN A 21 -5.424 2.199 -3.037 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.564 4.893 -2.975 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.207 3.247 -5.278 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.393 4.797 -5.199 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.685 2.592 -4.277 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.254 2.353 -5.917 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.759 3.569 -4.151 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.154 4.790 -5.275 1.00 0.00 H new ATOM 299 N SER A 22 -8.944 4.289 -2.612 1.00 0.00 N ATOM 300 CA SER A 22 -10.319 3.953 -2.312 1.00 0.00 C ATOM 301 C SER A 22 -11.090 3.781 -3.612 1.00 0.00 C ATOM 302 O SER A 22 -11.291 4.742 -4.361 1.00 0.00 O ATOM 303 CB SER A 22 -10.941 5.052 -1.454 1.00 0.00 C ATOM 304 OG SER A 22 -10.070 6.174 -1.374 1.00 0.00 O ATOM 0 H SER A 22 -8.717 5.277 -2.503 1.00 0.00 H new ATOM 0 HA SER A 22 -10.359 3.017 -1.754 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.897 5.356 -1.879 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.144 4.670 -0.454 1.00 0.00 H new ATOM 0 HG SER A 22 -10.057 6.640 -2.236 1.00 0.00 H new ATOM 310 N MET A 23 -11.512 2.558 -3.882 1.00 0.00 N ATOM 311 CA MET A 23 -12.131 2.243 -5.153 1.00 0.00 C ATOM 312 C MET A 23 -13.573 2.718 -5.177 1.00 0.00 C ATOM 313 O MET A 23 -14.407 2.273 -4.388 1.00 0.00 O ATOM 314 CB MET A 23 -12.060 0.740 -5.429 1.00 0.00 C ATOM 315 CG MET A 23 -10.667 0.247 -5.788 1.00 0.00 C ATOM 316 SD MET A 23 -9.851 1.290 -7.014 1.00 0.00 S ATOM 317 CE MET A 23 -8.157 0.725 -6.865 1.00 0.00 C ATOM 0 H MET A 23 -11.437 1.770 -3.239 1.00 0.00 H new ATOM 0 HA MET A 23 -11.583 2.764 -5.938 1.00 0.00 H new ATOM 0 HB2 MET A 23 -12.410 0.201 -4.548 1.00 0.00 H new ATOM 0 HB3 MET A 23 -12.742 0.497 -6.243 1.00 0.00 H new ATOM 0 HG2 MET A 23 -10.056 0.209 -4.886 1.00 0.00 H new ATOM 0 HG3 MET A 23 -10.734 -0.771 -6.171 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.527 1.277 -7.562 1.00 0.00 H new ATOM 0 HE2 MET A 23 -7.806 0.893 -5.847 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.107 -0.339 -7.095 1.00 0.00 H new ATOM 327 N SER A 24 -13.855 3.642 -6.079 1.00 0.00 N ATOM 328 CA SER A 24 -15.186 4.202 -6.211 1.00 0.00 C ATOM 329 C SER A 24 -16.018 3.340 -7.153 1.00 0.00 C ATOM 330 O SER A 24 -16.346 3.737 -8.273 1.00 0.00 O ATOM 331 CB SER A 24 -15.092 5.642 -6.711 1.00 0.00 C ATOM 332 OG SER A 24 -13.905 6.261 -6.230 1.00 0.00 O ATOM 0 H SER A 24 -13.173 4.022 -6.735 1.00 0.00 H new ATOM 0 HA SER A 24 -15.679 4.212 -5.239 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.100 5.656 -7.801 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.963 6.206 -6.379 1.00 0.00 H new ATOM 0 HG SER A 24 -13.859 7.182 -6.561 1.00 0.00 H new ATOM 338 N GLY A 25 -16.331 2.145 -6.686 1.00 0.00 N ATOM 339 CA GLY A 25 -17.078 1.196 -7.478 1.00 0.00 C ATOM 340 C GLY A 25 -16.903 -0.201 -6.937 1.00 0.00 C ATOM 341 O GLY A 25 -17.877 -0.880 -6.610 1.00 0.00 O ATOM 0 H GLY A 25 -16.076 1.811 -5.757 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.135 1.463 -7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.743 1.235 -8.514 1.00 0.00 H new ATOM 345 N SER A 26 -15.654 -0.625 -6.825 1.00 0.00 N ATOM 346 CA SER A 26 -15.331 -1.908 -6.229 1.00 0.00 C ATOM 347 C SER A 26 -15.146 -1.753 -4.721 1.00 0.00 C ATOM 348 O SER A 26 -14.402 -0.887 -4.268 1.00 0.00 O ATOM 349 CB SER A 26 -14.061 -2.470 -6.862 1.00 0.00 C ATOM 350 OG SER A 26 -13.513 -1.561 -7.810 1.00 0.00 O ATOM 0 H SER A 26 -14.843 -0.093 -7.142 1.00 0.00 H new ATOM 0 HA SER A 26 -16.152 -2.602 -6.411 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.325 -2.677 -6.085 1.00 0.00 H new ATOM 0 HB3 SER A 26 -14.284 -3.419 -7.350 1.00 0.00 H new ATOM 0 HG SER A 26 -12.700 -1.945 -8.199 1.00 0.00 H new ATOM 356 N ALA A 27 -15.824 -2.588 -3.947 1.00 0.00 N ATOM 357 CA ALA A 27 -15.740 -2.516 -2.492 1.00 0.00 C ATOM 358 C ALA A 27 -14.495 -3.241 -1.978 1.00 0.00 C ATOM 359 O ALA A 27 -14.585 -4.170 -1.173 1.00 0.00 O ATOM 360 CB ALA A 27 -17.001 -3.094 -1.860 1.00 0.00 C ATOM 0 H ALA A 27 -16.438 -3.323 -4.299 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.658 -1.468 -2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -16.924 -3.034 -0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.869 -2.526 -2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -17.113 -4.136 -2.159 1.00 0.00 H new ATOM 366 N SER A 28 -13.330 -2.819 -2.453 1.00 0.00 N ATOM 367 CA SER A 28 -12.066 -3.429 -2.053 1.00 0.00 C ATOM 368 C SER A 28 -10.972 -2.372 -1.936 1.00 0.00 C ATOM 369 O SER A 28 -11.050 -1.317 -2.567 1.00 0.00 O ATOM 370 CB SER A 28 -11.648 -4.501 -3.062 1.00 0.00 C ATOM 371 OG SER A 28 -12.774 -5.215 -3.539 1.00 0.00 O ATOM 0 H SER A 28 -13.233 -2.053 -3.119 1.00 0.00 H new ATOM 0 HA SER A 28 -12.207 -3.896 -1.078 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.127 -4.035 -3.899 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.946 -5.192 -2.595 1.00 0.00 H new ATOM 0 HG SER A 28 -12.482 -5.893 -4.183 1.00 0.00 H new ATOM 377 N LEU A 29 -9.955 -2.657 -1.131 1.00 0.00 N ATOM 378 CA LEU A 29 -8.860 -1.723 -0.929 1.00 0.00 C ATOM 379 C LEU A 29 -7.633 -2.155 -1.720 1.00 0.00 C ATOM 380 O LEU A 29 -7.094 -3.241 -1.504 1.00 0.00 O ATOM 381 CB LEU A 29 -8.513 -1.628 0.559 1.00 0.00 C ATOM 382 CG LEU A 29 -9.646 -1.125 1.456 1.00 0.00 C ATOM 383 CD1 LEU A 29 -9.493 -1.668 2.867 1.00 0.00 C ATOM 384 CD2 LEU A 29 -9.678 0.395 1.471 1.00 0.00 C ATOM 0 H LEU A 29 -9.868 -3.529 -0.608 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.177 -0.742 -1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.203 -2.613 0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.656 -0.965 0.675 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.591 -1.486 1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -10.308 -1.299 3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.520 -2.757 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.541 -1.338 3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.490 0.736 2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.730 0.775 1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.837 0.766 0.458 1.00 0.00 H new ATOM 396 N GLY A 30 -7.199 -1.305 -2.636 1.00 0.00 N ATOM 397 CA GLY A 30 -6.036 -1.614 -3.438 1.00 0.00 C ATOM 398 C GLY A 30 -4.848 -0.784 -3.018 1.00 0.00 C ATOM 399 O GLY A 30 -4.876 0.441 -3.127 1.00 0.00 O ATOM 0 H GLY A 30 -7.633 -0.404 -2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.796 -2.673 -3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.257 -1.431 -4.490 1.00 0.00 H new ATOM 403 N CYS A 31 -3.809 -1.437 -2.536 1.00 0.00 N ATOM 404 CA CYS A 31 -2.666 -0.733 -1.988 1.00 0.00 C ATOM 405 C CYS A 31 -1.431 -0.935 -2.850 1.00 0.00 C ATOM 406 O CYS A 31 -0.878 -2.030 -2.930 1.00 0.00 O ATOM 407 CB CYS A 31 -2.394 -1.202 -0.558 1.00 0.00 C ATOM 408 SG CYS A 31 -2.564 0.105 0.703 1.00 0.00 S ATOM 0 H CYS A 31 -3.732 -2.454 -2.513 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.899 0.332 -1.976 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.080 -2.015 -0.318 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.385 -1.611 -0.507 1.00 0.00 H new ATOM 413 N VAL A 32 -1.015 0.131 -3.506 1.00 0.00 N ATOM 414 CA VAL A 32 0.190 0.113 -4.317 1.00 0.00 C ATOM 415 C VAL A 32 1.396 0.434 -3.445 1.00 0.00 C ATOM 416 O VAL A 32 1.407 1.448 -2.750 1.00 0.00 O ATOM 417 CB VAL A 32 0.097 1.126 -5.476 1.00 0.00 C ATOM 418 CG1 VAL A 32 1.024 0.723 -6.607 1.00 0.00 C ATOM 419 CG2 VAL A 32 -1.337 1.243 -5.975 1.00 0.00 C ATOM 0 H VAL A 32 -1.498 1.029 -3.493 1.00 0.00 H new ATOM 0 HA VAL A 32 0.301 -0.883 -4.746 1.00 0.00 H new ATOM 0 HB VAL A 32 0.409 2.102 -5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.946 1.448 -7.417 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.051 0.694 -6.243 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.742 -0.263 -6.975 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.380 1.963 -6.792 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.680 0.271 -6.329 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.979 1.580 -5.161 1.00 0.00 H new ATOM 429 N VAL A 33 2.395 -0.430 -3.472 1.00 0.00 N ATOM 430 CA VAL A 33 3.539 -0.297 -2.581 1.00 0.00 C ATOM 431 C VAL A 33 4.427 0.875 -2.990 1.00 0.00 C ATOM 432 O VAL A 33 4.693 1.085 -4.174 1.00 0.00 O ATOM 433 CB VAL A 33 4.383 -1.589 -2.543 1.00 0.00 C ATOM 434 CG1 VAL A 33 5.250 -1.627 -1.294 1.00 0.00 C ATOM 435 CG2 VAL A 33 3.493 -2.820 -2.617 1.00 0.00 C ATOM 0 H VAL A 33 2.439 -1.232 -4.101 1.00 0.00 H new ATOM 0 HA VAL A 33 3.139 -0.110 -1.584 1.00 0.00 H new ATOM 0 HB VAL A 33 5.038 -1.592 -3.414 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.837 -2.545 -1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.921 -0.768 -1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.615 -1.595 -0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.111 -3.718 -2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.807 -2.824 -1.770 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.923 -2.801 -3.546 1.00 0.00 H new ATOM 445 N GLY A 34 4.872 1.640 -2.003 1.00 0.00 N ATOM 446 CA GLY A 34 5.757 2.753 -2.262 1.00 0.00 C ATOM 447 C GLY A 34 7.037 2.647 -1.462 1.00 0.00 C ATOM 448 O GLY A 34 7.038 2.861 -0.251 1.00 0.00 O ATOM 0 H GLY A 34 4.632 1.506 -1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.994 2.790 -3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.250 3.686 -2.016 1.00 0.00 H new ATOM 452 N VAL A 35 8.122 2.296 -2.132 1.00 0.00 N ATOM 453 CA VAL A 35 9.411 2.160 -1.471 1.00 0.00 C ATOM 454 C VAL A 35 10.173 3.478 -1.513 1.00 0.00 C ATOM 455 O VAL A 35 9.641 4.492 -1.962 1.00 0.00 O ATOM 456 CB VAL A 35 10.273 1.040 -2.096 1.00 0.00 C ATOM 457 CG1 VAL A 35 10.532 -0.056 -1.076 1.00 0.00 C ATOM 458 CG2 VAL A 35 9.612 0.465 -3.340 1.00 0.00 C ATOM 0 H VAL A 35 8.137 2.100 -3.133 1.00 0.00 H new ATOM 0 HA VAL A 35 9.210 1.886 -0.435 1.00 0.00 H new ATOM 0 HB VAL A 35 11.227 1.475 -2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.140 -0.839 -1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.059 0.362 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.583 -0.479 -0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.242 -0.321 -3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.640 0.048 -3.076 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.480 1.255 -4.080 1.00 0.00 H new ATOM 468 N ILE A 36 11.417 3.458 -1.050 1.00 0.00 N ATOM 469 CA ILE A 36 12.224 4.668 -0.960 1.00 0.00 C ATOM 470 C ILE A 36 12.450 5.288 -2.338 1.00 0.00 C ATOM 471 O ILE A 36 13.116 4.701 -3.199 1.00 0.00 O ATOM 472 CB ILE A 36 13.585 4.388 -0.288 1.00 0.00 C ATOM 473 CG1 ILE A 36 13.370 3.827 1.121 1.00 0.00 C ATOM 474 CG2 ILE A 36 14.428 5.656 -0.235 1.00 0.00 C ATOM 475 CD1 ILE A 36 14.655 3.526 1.865 1.00 0.00 C ATOM 0 H ILE A 36 11.890 2.613 -0.730 1.00 0.00 H new ATOM 0 HA ILE A 36 11.669 5.375 -0.344 1.00 0.00 H new ATOM 0 HB ILE A 36 14.121 3.648 -0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.785 4.541 1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.779 2.913 1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 36 15.383 5.438 0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.603 6.019 -1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.902 6.419 0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 36 14.419 3.133 2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.233 2.788 1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.239 4.441 1.968 1.00 0.00 H new ATOM 487 N GLY A 37 11.872 6.466 -2.541 1.00 0.00 N ATOM 488 CA GLY A 37 12.033 7.174 -3.795 1.00 0.00 C ATOM 489 C GLY A 37 10.980 6.785 -4.812 1.00 0.00 C ATOM 490 O GLY A 37 11.211 6.864 -6.018 1.00 0.00 O ATOM 0 H GLY A 37 11.291 6.946 -1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.981 8.247 -3.613 1.00 0.00 H new ATOM 0 HA3 GLY A 37 13.023 6.967 -4.202 1.00 0.00 H new ATOM 494 N SER A 38 9.826 6.354 -4.331 1.00 0.00 N ATOM 495 CA SER A 38 8.752 5.929 -5.212 1.00 0.00 C ATOM 496 C SER A 38 7.541 6.848 -5.097 1.00 0.00 C ATOM 497 O SER A 38 7.378 7.564 -4.105 1.00 0.00 O ATOM 498 CB SER A 38 8.352 4.490 -4.889 1.00 0.00 C ATOM 499 OG SER A 38 9.449 3.609 -5.066 1.00 0.00 O ATOM 0 H SER A 38 9.609 6.289 -3.336 1.00 0.00 H new ATOM 0 HA SER A 38 9.116 5.982 -6.238 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.994 4.430 -3.861 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.527 4.184 -5.533 1.00 0.00 H new ATOM 0 HG SER A 38 9.939 3.523 -4.222 1.00 0.00 H new ATOM 505 N GLN A 39 6.701 6.822 -6.119 1.00 0.00 N ATOM 506 CA GLN A 39 5.475 7.597 -6.128 1.00 0.00 C ATOM 507 C GLN A 39 4.291 6.646 -6.159 1.00 0.00 C ATOM 508 O GLN A 39 3.973 6.072 -7.199 1.00 0.00 O ATOM 509 CB GLN A 39 5.441 8.537 -7.333 1.00 0.00 C ATOM 510 CG GLN A 39 5.851 9.961 -6.996 1.00 0.00 C ATOM 511 CD GLN A 39 6.625 10.627 -8.120 1.00 0.00 C ATOM 512 OE1 GLN A 39 6.807 10.050 -9.192 1.00 0.00 O ATOM 513 NE2 GLN A 39 7.094 11.841 -7.881 1.00 0.00 N ATOM 0 H GLN A 39 6.850 6.266 -6.961 1.00 0.00 H new ATOM 0 HA GLN A 39 5.426 8.209 -5.227 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.104 8.149 -8.107 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.434 8.545 -7.750 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.960 10.549 -6.775 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.461 9.955 -6.093 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.922 12.286 -6.979 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.628 12.332 -8.598 1.00 0.00 H new ATOM 522 N CYS A 40 3.649 6.474 -5.015 1.00 0.00 N ATOM 523 CA CYS A 40 2.620 5.458 -4.872 1.00 0.00 C ATOM 524 C CYS A 40 1.309 5.877 -5.542 1.00 0.00 C ATOM 525 O CYS A 40 0.676 5.071 -6.226 1.00 0.00 O ATOM 526 CB CYS A 40 2.411 5.131 -3.395 1.00 0.00 C ATOM 527 SG CYS A 40 1.831 6.529 -2.387 1.00 0.00 S ATOM 0 H CYS A 40 3.822 7.024 -4.173 1.00 0.00 H new ATOM 0 HA CYS A 40 2.959 4.557 -5.384 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.690 4.318 -3.315 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.351 4.766 -2.980 1.00 0.00 H new ATOM 532 N GLY A 41 0.900 7.125 -5.349 1.00 0.00 N ATOM 533 CA GLY A 41 -0.252 7.633 -6.074 1.00 0.00 C ATOM 534 C GLY A 41 -1.222 8.423 -5.217 1.00 0.00 C ATOM 535 O GLY A 41 -1.566 9.557 -5.552 1.00 0.00 O ATOM 0 H GLY A 41 1.339 7.789 -4.711 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.096 8.267 -6.889 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.782 6.795 -6.526 1.00 0.00 H new ATOM 539 N ALA A 42 -1.653 7.843 -4.108 1.00 0.00 N ATOM 540 CA ALA A 42 -2.705 8.448 -3.297 1.00 0.00 C ATOM 541 C ALA A 42 -2.298 8.539 -1.824 1.00 0.00 C ATOM 542 O ALA A 42 -1.235 9.070 -1.498 1.00 0.00 O ATOM 543 CB ALA A 42 -4.000 7.657 -3.452 1.00 0.00 C ATOM 0 H ALA A 42 -1.295 6.959 -3.748 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.865 9.466 -3.652 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.781 8.114 -2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.306 7.661 -4.498 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.840 6.630 -3.125 1.00 0.00 H new ATOM 549 N SER A 43 -3.142 8.012 -0.945 1.00 0.00 N ATOM 550 CA SER A 43 -2.908 8.078 0.488 1.00 0.00 C ATOM 551 C SER A 43 -1.904 7.022 0.934 1.00 0.00 C ATOM 552 O SER A 43 -2.070 5.831 0.653 1.00 0.00 O ATOM 553 CB SER A 43 -4.235 7.889 1.220 1.00 0.00 C ATOM 554 OG SER A 43 -5.321 7.951 0.306 1.00 0.00 O ATOM 0 H SER A 43 -4.002 7.530 -1.206 1.00 0.00 H new ATOM 0 HA SER A 43 -2.488 9.054 0.730 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.240 6.928 1.735 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.349 8.659 1.983 1.00 0.00 H new ATOM 0 HG SER A 43 -6.164 7.826 0.790 1.00 0.00 H new ATOM 560 N VAL A 44 -0.864 7.464 1.627 1.00 0.00 N ATOM 561 CA VAL A 44 0.153 6.561 2.136 1.00 0.00 C ATOM 562 C VAL A 44 -0.364 5.852 3.381 1.00 0.00 C ATOM 563 O VAL A 44 -0.760 6.491 4.357 1.00 0.00 O ATOM 564 CB VAL A 44 1.465 7.304 2.470 1.00 0.00 C ATOM 565 CG1 VAL A 44 2.547 6.324 2.904 1.00 0.00 C ATOM 566 CG2 VAL A 44 1.934 8.122 1.277 1.00 0.00 C ATOM 0 H VAL A 44 -0.704 8.447 1.849 1.00 0.00 H new ATOM 0 HA VAL A 44 0.370 5.832 1.355 1.00 0.00 H new ATOM 0 HB VAL A 44 1.269 7.984 3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.462 6.870 3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.214 5.784 3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.740 5.615 2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.860 8.638 1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.109 7.461 0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.170 8.854 1.015 1.00 0.00 H new ATOM 576 N LYS A 45 -0.368 4.536 3.334 1.00 0.00 N ATOM 577 CA LYS A 45 -0.922 3.731 4.405 1.00 0.00 C ATOM 578 C LYS A 45 0.115 2.739 4.912 1.00 0.00 C ATOM 579 O LYS A 45 0.747 2.032 4.130 1.00 0.00 O ATOM 580 CB LYS A 45 -2.170 2.995 3.912 1.00 0.00 C ATOM 581 CG LYS A 45 -3.440 3.411 4.633 1.00 0.00 C ATOM 582 CD LYS A 45 -4.209 4.468 3.857 1.00 0.00 C ATOM 583 CE LYS A 45 -5.422 4.951 4.635 1.00 0.00 C ATOM 584 NZ LYS A 45 -5.035 5.690 5.866 1.00 0.00 N ATOM 0 H LYS A 45 0.011 3.995 2.556 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.203 4.386 5.230 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.291 3.176 2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.024 1.922 4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.075 2.538 4.785 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.188 3.797 5.621 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.554 5.312 3.640 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.528 4.058 2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.027 5.597 3.999 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.043 4.097 4.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.654 5.405 6.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.047 5.471 6.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.133 6.712 5.702 1.00 0.00 H new ATOM 598 N CYS A 46 0.303 2.702 6.220 1.00 0.00 N ATOM 599 CA CYS A 46 1.272 1.800 6.823 1.00 0.00 C ATOM 600 C CYS A 46 0.642 0.440 7.098 1.00 0.00 C ATOM 601 O CYS A 46 -0.064 0.251 8.094 1.00 0.00 O ATOM 602 CB CYS A 46 1.826 2.407 8.108 1.00 0.00 C ATOM 603 SG CYS A 46 2.390 4.127 7.911 1.00 0.00 S ATOM 0 H CYS A 46 -0.202 3.286 6.886 1.00 0.00 H new ATOM 0 HA CYS A 46 2.095 1.656 6.124 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.057 2.371 8.879 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.659 1.797 8.459 1.00 0.00 H new ATOM 608 N CYS A 47 0.894 -0.500 6.205 1.00 0.00 N ATOM 609 CA CYS A 47 0.323 -1.827 6.316 1.00 0.00 C ATOM 610 C CYS A 47 1.365 -2.882 5.970 1.00 0.00 C ATOM 611 O CYS A 47 2.532 -2.562 5.735 1.00 0.00 O ATOM 612 CB CYS A 47 -0.890 -1.964 5.390 1.00 0.00 C ATOM 613 SG CYS A 47 -1.497 -0.389 4.700 1.00 0.00 S ATOM 0 H CYS A 47 1.494 -0.366 5.391 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.002 -1.978 7.345 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.630 -2.630 4.567 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.700 -2.441 5.942 1.00 0.00 H new ATOM 618 N LYS A 48 0.947 -4.136 5.963 1.00 0.00 N ATOM 619 CA LYS A 48 1.823 -5.226 5.571 1.00 0.00 C ATOM 620 C LYS A 48 1.043 -6.224 4.739 1.00 0.00 C ATOM 621 O LYS A 48 1.437 -6.559 3.620 1.00 0.00 O ATOM 622 CB LYS A 48 2.409 -5.916 6.802 1.00 0.00 C ATOM 623 CG LYS A 48 3.564 -6.850 6.484 1.00 0.00 C ATOM 624 CD LYS A 48 4.611 -6.834 7.586 1.00 0.00 C ATOM 625 CE LYS A 48 4.080 -7.460 8.863 1.00 0.00 C ATOM 626 NZ LYS A 48 5.090 -7.451 9.955 1.00 0.00 N ATOM 0 H LYS A 48 0.004 -4.425 6.225 1.00 0.00 H new ATOM 0 HA LYS A 48 2.646 -4.823 4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.750 -5.157 7.506 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.622 -6.482 7.300 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.188 -7.864 6.353 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.023 -6.555 5.540 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.498 -7.375 7.255 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.919 -5.807 7.783 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.191 -6.920 9.188 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.773 -8.487 8.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.933 -8.267 10.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.044 -7.507 9.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.000 -6.572 10.504 1.00 0.00 H new ATOM 640 N ASP A 49 -0.074 -6.672 5.305 1.00 0.00 N ATOM 641 CA ASP A 49 -0.956 -7.640 4.664 1.00 0.00 C ATOM 642 C ASP A 49 -0.239 -8.971 4.443 1.00 0.00 C ATOM 643 O ASP A 49 0.740 -9.283 5.131 1.00 0.00 O ATOM 644 CB ASP A 49 -1.510 -7.095 3.343 1.00 0.00 C ATOM 645 CG ASP A 49 -2.850 -7.714 2.990 1.00 0.00 C ATOM 646 OD1 ASP A 49 -3.877 -7.278 3.545 1.00 0.00 O ATOM 647 OD2 ASP A 49 -2.877 -8.652 2.167 1.00 0.00 O ATOM 0 H ASP A 49 -0.394 -6.372 6.226 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.798 -7.815 5.334 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.618 -6.013 3.414 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.797 -7.292 2.542 1.00 0.00 H new ATOM 652 N ASP A 50 -0.725 -9.750 3.494 1.00 0.00 N ATOM 653 CA ASP A 50 -0.154 -11.053 3.211 1.00 0.00 C ATOM 654 C ASP A 50 0.504 -11.056 1.841 1.00 0.00 C ATOM 655 O ASP A 50 -0.155 -11.269 0.820 1.00 0.00 O ATOM 656 CB ASP A 50 -1.228 -12.138 3.282 1.00 0.00 C ATOM 657 CG ASP A 50 -0.647 -13.537 3.207 1.00 0.00 C ATOM 658 OD1 ASP A 50 0.144 -13.909 4.101 1.00 0.00 O ATOM 659 OD2 ASP A 50 -0.991 -14.280 2.261 1.00 0.00 O ATOM 0 H ASP A 50 -1.518 -9.501 2.903 1.00 0.00 H new ATOM 0 HA ASP A 50 0.604 -11.266 3.965 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.788 -12.030 4.211 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.936 -11.998 2.465 1.00 0.00 H new ATOM 664 N VAL A 51 1.803 -10.800 1.824 1.00 0.00 N ATOM 665 CA VAL A 51 2.564 -10.789 0.586 1.00 0.00 C ATOM 666 C VAL A 51 2.996 -12.206 0.219 1.00 0.00 C ATOM 667 O VAL A 51 4.173 -12.559 0.310 1.00 0.00 O ATOM 668 CB VAL A 51 3.812 -9.881 0.683 1.00 0.00 C ATOM 669 CG1 VAL A 51 4.278 -9.455 -0.704 1.00 0.00 C ATOM 670 CG2 VAL A 51 3.527 -8.660 1.547 1.00 0.00 C ATOM 0 H VAL A 51 2.354 -10.596 2.658 1.00 0.00 H new ATOM 0 HA VAL A 51 1.912 -10.388 -0.190 1.00 0.00 H new ATOM 0 HB VAL A 51 4.611 -10.454 1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.157 -8.817 -0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.530 -10.339 -1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.480 -8.904 -1.203 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.419 -8.036 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.709 -8.087 1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.248 -8.981 2.550 1.00 0.00 H new ATOM 680 N THR A 52 2.032 -13.025 -0.170 1.00 0.00 N ATOM 681 CA THR A 52 2.308 -14.393 -0.573 1.00 0.00 C ATOM 682 C THR A 52 2.831 -14.430 -2.005 1.00 0.00 C ATOM 683 O THR A 52 4.039 -14.413 -2.240 1.00 0.00 O ATOM 684 CB THR A 52 1.039 -15.257 -0.467 1.00 0.00 C ATOM 685 OG1 THR A 52 -0.091 -14.413 -0.203 1.00 0.00 O ATOM 686 CG2 THR A 52 1.173 -16.299 0.633 1.00 0.00 C ATOM 0 H THR A 52 1.047 -12.764 -0.215 1.00 0.00 H new ATOM 0 HA THR A 52 3.067 -14.796 0.097 1.00 0.00 H new ATOM 0 HB THR A 52 0.898 -15.781 -1.412 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.135 -14.216 0.756 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.261 -16.894 0.684 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.020 -16.950 0.416 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.335 -15.800 1.589 1.00 0.00 H new ATOM 694 N ASN A 53 1.912 -14.457 -2.958 1.00 0.00 N ATOM 695 CA ASN A 53 2.268 -14.433 -4.369 1.00 0.00 C ATOM 696 C ASN A 53 1.448 -13.366 -5.086 1.00 0.00 C ATOM 697 O ASN A 53 1.457 -13.267 -6.314 1.00 0.00 O ATOM 698 CB ASN A 53 2.034 -15.805 -5.010 1.00 0.00 C ATOM 699 CG ASN A 53 3.006 -16.092 -6.140 1.00 0.00 C ATOM 700 OD1 ASN A 53 3.885 -15.281 -6.446 1.00 0.00 O ATOM 701 ND2 ASN A 53 2.863 -17.252 -6.765 1.00 0.00 N ATOM 0 H ASN A 53 0.909 -14.496 -2.779 1.00 0.00 H new ATOM 0 HA ASN A 53 3.327 -14.193 -4.461 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.128 -16.579 -4.248 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.014 -15.855 -5.391 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.492 -17.501 -7.528 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.124 -17.896 -6.483 1.00 0.00 H new ATOM 708 N THR A 54 0.737 -12.575 -4.301 1.00 0.00 N ATOM 709 CA THR A 54 -0.104 -11.516 -4.826 1.00 0.00 C ATOM 710 C THR A 54 0.703 -10.237 -5.023 1.00 0.00 C ATOM 711 O THR A 54 1.376 -9.768 -4.103 1.00 0.00 O ATOM 712 CB THR A 54 -1.278 -11.242 -3.869 1.00 0.00 C ATOM 713 OG1 THR A 54 -1.195 -12.134 -2.746 1.00 0.00 O ATOM 714 CG2 THR A 54 -2.613 -11.428 -4.576 1.00 0.00 C ATOM 0 H THR A 54 0.727 -12.649 -3.284 1.00 0.00 H new ATOM 0 HA THR A 54 -0.495 -11.840 -5.791 1.00 0.00 H new ATOM 0 HB THR A 54 -1.215 -10.209 -3.527 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.571 -11.769 -2.084 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.426 -11.228 -3.877 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.679 -10.737 -5.416 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.692 -12.452 -4.941 1.00 0.00 H new ATOM 722 N GLY A 55 0.665 -9.703 -6.232 1.00 0.00 N ATOM 723 CA GLY A 55 1.350 -8.460 -6.515 1.00 0.00 C ATOM 724 C GLY A 55 1.667 -8.303 -7.982 1.00 0.00 C ATOM 725 O GLY A 55 2.820 -8.084 -8.356 1.00 0.00 O ATOM 0 H GLY A 55 0.170 -10.109 -7.026 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.732 -7.624 -6.187 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.274 -8.418 -5.939 1.00 0.00 H new ATOM 729 N ASN A 56 0.650 -8.420 -8.823 1.00 0.00 N ATOM 730 CA ASN A 56 0.835 -8.267 -10.257 1.00 0.00 C ATOM 731 C ASN A 56 0.892 -6.794 -10.620 1.00 0.00 C ATOM 732 O ASN A 56 1.924 -6.294 -11.069 1.00 0.00 O ATOM 733 CB ASN A 56 -0.291 -8.956 -11.024 1.00 0.00 C ATOM 734 CG ASN A 56 0.124 -9.351 -12.429 1.00 0.00 C ATOM 735 OD1 ASN A 56 1.311 -9.516 -12.718 1.00 0.00 O ATOM 736 ND2 ASN A 56 -0.852 -9.505 -13.309 1.00 0.00 N ATOM 0 H ASN A 56 -0.309 -8.620 -8.538 1.00 0.00 H new ATOM 0 HA ASN A 56 1.777 -8.738 -10.536 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.608 -9.845 -10.478 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.152 -8.290 -11.076 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.635 -9.770 -14.270 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.821 -9.358 -13.027 1.00 0.00 H new ATOM 743 N SER A 57 -0.220 -6.105 -10.425 1.00 0.00 N ATOM 744 CA SER A 57 -0.269 -4.665 -10.610 1.00 0.00 C ATOM 745 C SER A 57 0.034 -3.972 -9.288 1.00 0.00 C ATOM 746 O SER A 57 0.916 -3.117 -9.201 1.00 0.00 O ATOM 747 CB SER A 57 -1.651 -4.260 -11.123 1.00 0.00 C ATOM 748 OG SER A 57 -2.582 -5.321 -10.953 1.00 0.00 O ATOM 0 H SER A 57 -1.105 -6.523 -10.137 1.00 0.00 H new ATOM 0 HA SER A 57 0.478 -4.363 -11.344 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.998 -3.376 -10.588 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.588 -3.990 -12.177 1.00 0.00 H new ATOM 0 HG SER A 57 -3.461 -5.042 -11.286 1.00 0.00 H new ATOM 754 N PHE A 58 -0.699 -4.371 -8.256 1.00 0.00 N ATOM 755 CA PHE A 58 -0.487 -3.877 -6.905 1.00 0.00 C ATOM 756 C PHE A 58 -1.070 -4.873 -5.913 1.00 0.00 C ATOM 757 O PHE A 58 -1.631 -5.896 -6.314 1.00 0.00 O ATOM 758 CB PHE A 58 -1.113 -2.488 -6.713 1.00 0.00 C ATOM 759 CG PHE A 58 -2.558 -2.380 -7.131 1.00 0.00 C ATOM 760 CD1 PHE A 58 -3.579 -2.664 -6.238 1.00 0.00 C ATOM 761 CD2 PHE A 58 -2.891 -1.978 -8.414 1.00 0.00 C ATOM 762 CE1 PHE A 58 -4.902 -2.557 -6.617 1.00 0.00 C ATOM 763 CE2 PHE A 58 -4.214 -1.866 -8.801 1.00 0.00 C ATOM 764 CZ PHE A 58 -5.221 -2.154 -7.899 1.00 0.00 C ATOM 0 H PHE A 58 -1.458 -5.048 -8.334 1.00 0.00 H new ATOM 0 HA PHE A 58 0.584 -3.774 -6.731 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.032 -2.211 -5.662 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.531 -1.761 -7.280 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.336 -2.973 -5.232 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.107 -1.749 -9.121 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.687 -2.788 -5.912 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.460 -1.554 -9.805 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.255 -2.064 -8.196 1.00 0.00 H new ATOM 774 N LEU A 59 -0.951 -4.584 -4.630 1.00 0.00 N ATOM 775 CA LEU A 59 -1.424 -5.500 -3.607 1.00 0.00 C ATOM 776 C LEU A 59 -2.782 -5.071 -3.069 1.00 0.00 C ATOM 777 O LEU A 59 -2.911 -4.027 -2.436 1.00 0.00 O ATOM 778 CB LEU A 59 -0.412 -5.590 -2.465 1.00 0.00 C ATOM 779 CG LEU A 59 0.180 -6.982 -2.230 1.00 0.00 C ATOM 780 CD1 LEU A 59 1.235 -6.935 -1.139 1.00 0.00 C ATOM 781 CD2 LEU A 59 -0.912 -7.979 -1.869 1.00 0.00 C ATOM 0 H LEU A 59 -0.532 -3.726 -4.272 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.534 -6.484 -4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.403 -4.895 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.894 -5.257 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 59 0.652 -7.311 -3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.645 -7.933 -0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.035 -6.256 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.784 -6.582 -0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.469 -8.961 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.416 -7.653 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.635 -8.037 -2.683 1.00 0.00 H new ATOM 793 N ILE A 60 -3.801 -5.869 -3.341 1.00 0.00 N ATOM 794 CA ILE A 60 -5.117 -5.624 -2.782 1.00 0.00 C ATOM 795 C ILE A 60 -5.149 -6.134 -1.343 1.00 0.00 C ATOM 796 O ILE A 60 -4.993 -7.332 -1.096 1.00 0.00 O ATOM 797 CB ILE A 60 -6.228 -6.301 -3.621 1.00 0.00 C ATOM 798 CG1 ILE A 60 -6.386 -5.575 -4.960 1.00 0.00 C ATOM 799 CG2 ILE A 60 -7.555 -6.314 -2.868 1.00 0.00 C ATOM 800 CD1 ILE A 60 -6.508 -6.508 -6.146 1.00 0.00 C ATOM 0 H ILE A 60 -3.741 -6.690 -3.944 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.309 -4.551 -2.799 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.936 -7.335 -3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.270 -4.939 -4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.529 -4.919 -5.111 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.317 -6.795 -3.481 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.439 -6.865 -1.935 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.859 -5.290 -2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.617 -5.923 -7.059 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.613 -7.127 -6.216 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.382 -7.147 -6.018 1.00 0.00 H new ATOM 812 N ILE A 61 -5.330 -5.216 -0.406 1.00 0.00 N ATOM 813 CA ILE A 61 -5.210 -5.521 1.010 1.00 0.00 C ATOM 814 C ILE A 61 -6.480 -6.178 1.549 1.00 0.00 C ATOM 815 O ILE A 61 -7.591 -5.841 1.135 1.00 0.00 O ATOM 816 CB ILE A 61 -4.873 -4.235 1.806 1.00 0.00 C ATOM 817 CG1 ILE A 61 -3.370 -3.977 1.749 1.00 0.00 C ATOM 818 CG2 ILE A 61 -5.337 -4.321 3.255 1.00 0.00 C ATOM 819 CD1 ILE A 61 -2.946 -2.736 2.495 1.00 0.00 C ATOM 0 H ILE A 61 -5.563 -4.243 -0.605 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.396 -6.234 1.136 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.408 -3.406 1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.845 -4.838 2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.063 -3.888 0.707 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.080 -3.398 3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.417 -4.465 3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.846 -5.162 3.745 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.866 -2.613 2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.443 -1.866 2.066 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.222 -2.831 3.545 1.00 0.00 H new ATOM 831 N ASN A 62 -6.300 -7.103 2.484 1.00 0.00 N ATOM 832 CA ASN A 62 -7.406 -7.851 3.076 1.00 0.00 C ATOM 833 C ASN A 62 -8.124 -7.030 4.151 1.00 0.00 C ATOM 834 O ASN A 62 -8.622 -7.581 5.139 1.00 0.00 O ATOM 835 CB ASN A 62 -6.874 -9.151 3.682 1.00 0.00 C ATOM 836 CG ASN A 62 -7.763 -10.345 3.406 1.00 0.00 C ATOM 837 OD1 ASN A 62 -7.478 -11.153 2.518 1.00 0.00 O ATOM 838 ND2 ASN A 62 -8.834 -10.472 4.170 1.00 0.00 N ATOM 0 H ASN A 62 -5.384 -7.357 2.854 1.00 0.00 H new ATOM 0 HA ASN A 62 -8.127 -8.076 2.290 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.878 -9.348 3.285 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.769 -9.026 4.760 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -9.464 -11.263 4.037 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.030 -9.779 4.892 1.00 0.00 H new ATOM 845 N ALA A 63 -8.182 -5.717 3.932 1.00 0.00 N ATOM 846 CA ALA A 63 -8.819 -4.765 4.844 1.00 0.00 C ATOM 847 C ALA A 63 -8.081 -4.661 6.180 1.00 0.00 C ATOM 848 O ALA A 63 -7.289 -3.738 6.387 1.00 0.00 O ATOM 849 CB ALA A 63 -10.287 -5.116 5.060 1.00 0.00 C ATOM 0 H ALA A 63 -7.782 -5.277 3.103 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.764 -3.785 4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.737 -4.394 5.741 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.812 -5.090 4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.363 -6.115 5.489 1.00 0.00 H new ATOM 855 N ALA A 64 -8.316 -5.620 7.066 1.00 0.00 N ATOM 856 CA ALA A 64 -7.791 -5.563 8.426 1.00 0.00 C ATOM 857 C ALA A 64 -6.332 -6.012 8.490 1.00 0.00 C ATOM 858 O ALA A 64 -5.988 -6.951 9.208 1.00 0.00 O ATOM 859 CB ALA A 64 -8.647 -6.408 9.355 1.00 0.00 C ATOM 0 H ALA A 64 -8.871 -6.452 6.866 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.828 -4.524 8.752 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.245 -6.357 10.367 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.670 -6.030 9.351 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.641 -7.443 9.014 1.00 0.00 H new ATOM 865 N ASN A 65 -5.482 -5.345 7.730 1.00 0.00 N ATOM 866 CA ASN A 65 -4.051 -5.618 7.762 1.00 0.00 C ATOM 867 C ASN A 65 -3.265 -4.331 7.592 1.00 0.00 C ATOM 868 O ASN A 65 -2.073 -4.338 7.271 1.00 0.00 O ATOM 869 CB ASN A 65 -3.666 -6.617 6.681 1.00 0.00 C ATOM 870 CG ASN A 65 -2.919 -7.804 7.247 1.00 0.00 C ATOM 871 OD1 ASN A 65 -2.199 -7.688 8.239 1.00 0.00 O ATOM 872 ND2 ASN A 65 -3.074 -8.949 6.610 1.00 0.00 N ATOM 0 H ASN A 65 -5.756 -4.608 7.080 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.809 -6.053 8.732 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.565 -6.964 6.171 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.046 -6.122 5.933 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.587 -9.784 6.936 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.681 -8.999 5.792 1.00 0.00 H new ATOM 879 N CYS A 66 -3.954 -3.227 7.806 1.00 0.00 N ATOM 880 CA CYS A 66 -3.355 -1.909 7.748 1.00 0.00 C ATOM 881 C CYS A 66 -3.724 -1.129 9.000 1.00 0.00 C ATOM 882 O CYS A 66 -4.888 -1.102 9.395 1.00 0.00 O ATOM 883 CB CYS A 66 -3.823 -1.165 6.496 1.00 0.00 C ATOM 884 SG CYS A 66 -2.812 0.294 6.092 1.00 0.00 S ATOM 0 H CYS A 66 -4.950 -3.220 8.026 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.271 -2.010 7.697 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -3.809 -1.852 5.650 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.858 -0.852 6.635 1.00 0.00 H new ATOM 889 N VAL A 67 -2.738 -0.503 9.627 1.00 0.00 N ATOM 890 CA VAL A 67 -2.961 0.161 10.907 1.00 0.00 C ATOM 891 C VAL A 67 -2.768 1.670 10.804 1.00 0.00 C ATOM 892 O VAL A 67 -2.581 2.351 11.816 1.00 0.00 O ATOM 893 CB VAL A 67 -2.027 -0.394 12.006 1.00 0.00 C ATOM 894 CG1 VAL A 67 -2.400 -1.827 12.355 1.00 0.00 C ATOM 895 CG2 VAL A 67 -0.570 -0.303 11.578 1.00 0.00 C ATOM 0 H VAL A 67 -1.783 -0.440 9.275 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.996 -0.044 11.181 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.154 0.218 12.899 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.730 -2.199 13.130 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.427 -1.858 12.718 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.310 -2.453 11.467 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.067 -0.700 12.369 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.421 -0.883 10.667 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.310 0.739 11.391 1.00 0.00 H new ATOM 905 N ALA A 68 -2.825 2.192 9.590 1.00 0.00 N ATOM 906 CA ALA A 68 -2.658 3.621 9.366 1.00 0.00 C ATOM 907 C ALA A 68 -3.450 4.056 8.145 1.00 0.00 C ATOM 908 O ALA A 68 -2.996 4.966 7.425 1.00 0.00 O ATOM 909 CB ALA A 68 -1.185 3.967 9.208 1.00 0.00 C ATOM 910 OXT ALA A 68 -4.529 3.473 7.906 1.00 0.00 O ATOM 0 H ALA A 68 -2.986 1.648 8.742 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.040 4.159 10.233 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.079 5.039 9.041 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.646 3.685 10.113 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.773 3.425 8.357 1.00 0.00 H new TER 916 ALA A 68