USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 730 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 75 TYR OH : rot 179:sc= 0.63 USER MOD Set 1.2: A 94 SER OG : rot 66:sc= 0.777 USER MOD Set 2.1: A 41 TYR OH : rot 4:sc= 1.41 USER MOD Set 2.2: A 53 HIS : no HD1:sc= 1.75 K(o=4.4,f=-6.6!) USER MOD Set 2.3: A 85 SER OG : rot -59:sc= 1.29 USER MOD Set 3.1: A 34 SER OG : rot -78:sc= 0.234 USER MOD Set 3.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 THR N :NH3+ 146:sc= 0.0268 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00117 USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= -0.0157 (180deg=-0.232) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0.0719 K(o=0.072,f=-2.3!) USER MOD Single : A 43 SER OG : rot 65:sc= 1.09 USER MOD Single : A 45 SER OG : rot 80:sc= 1.43 USER MOD Single : A 46 SER OG : rot 160:sc= 0.337 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.824 K(o=-0.82,f=-2.5!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -62:sc= 1.17 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 76 SER OG : rot 180:sc=-0.00168 USER MOD Single : A 77 SER OG : rot 180:sc= -0.183 USER MOD Single : A 81 ASN : amide:sc= 0.79 K(o=0.79,f=-0.18) USER MOD Single : A 84 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.04) USER MOD Single : A 86 GLN : amide:sc= -0.319 K(o=-0.32,f=-1.1) USER MOD Single : A 87 MET CE :methyl 167:sc= 0 (180deg=-0.189) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0363 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 71:sc= 0.768 USER MOD Single : A 98 THR OG1 : rot -24:sc= 0.685 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -18.261 -6.355 -0.630 1.00 0.00 N ATOM 2 CA THR A 1 -16.966 -5.696 -0.834 1.00 0.00 C ATOM 3 C THR A 1 -15.931 -6.743 -1.239 1.00 0.00 C ATOM 4 O THR A 1 -15.917 -7.852 -0.697 1.00 0.00 O ATOM 5 CB THR A 1 -16.545 -4.854 0.382 1.00 0.00 C ATOM 6 OG1 THR A 1 -15.461 -4.016 0.030 1.00 0.00 O ATOM 7 CG2 THR A 1 -16.156 -5.688 1.605 1.00 0.00 C ATOM 0 H1 THR A 1 -18.778 -5.876 0.135 1.00 0.00 H new ATOM 0 H2 THR A 1 -18.817 -6.306 -1.507 1.00 0.00 H new ATOM 0 H3 THR A 1 -18.107 -7.351 -0.373 1.00 0.00 H new ATOM 0 HA THR A 1 -17.051 -4.976 -1.648 1.00 0.00 H new ATOM 0 HB THR A 1 -17.420 -4.268 0.664 1.00 0.00 H new ATOM 0 HG1 THR A 1 -15.196 -3.480 0.806 1.00 0.00 H new ATOM 0 HG21 THR A 1 -15.871 -5.025 2.422 1.00 0.00 H new ATOM 0 HG22 THR A 1 -17.004 -6.300 1.913 1.00 0.00 H new ATOM 0 HG23 THR A 1 -15.315 -6.334 1.352 1.00 0.00 H new ATOM 16 N ALA A 2 -15.100 -6.427 -2.231 1.00 0.00 N ATOM 17 CA ALA A 2 -14.067 -7.327 -2.719 1.00 0.00 C ATOM 18 C ALA A 2 -12.779 -6.544 -2.988 1.00 0.00 C ATOM 19 O ALA A 2 -12.838 -5.365 -3.356 1.00 0.00 O ATOM 20 CB ALA A 2 -14.550 -8.009 -3.998 1.00 0.00 C ATOM 0 H ALA A 2 -15.128 -5.532 -2.719 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.861 -8.087 -1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.777 -8.684 -4.365 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.457 -8.576 -3.788 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.762 -7.254 -4.755 1.00 0.00 H new ATOM 26 N PRO A 3 -11.614 -7.176 -2.806 1.00 0.00 N ATOM 27 CA PRO A 3 -10.331 -6.532 -3.001 1.00 0.00 C ATOM 28 C PRO A 3 -9.945 -6.500 -4.483 1.00 0.00 C ATOM 29 O PRO A 3 -10.573 -7.167 -5.315 1.00 0.00 O ATOM 30 CB PRO A 3 -9.359 -7.379 -2.177 1.00 0.00 C ATOM 31 CG PRO A 3 -9.939 -8.785 -2.288 1.00 0.00 C ATOM 32 CD PRO A 3 -11.436 -8.514 -2.264 1.00 0.00 C ATOM 0 HA PRO A 3 -10.333 -5.488 -2.687 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.345 -7.329 -2.575 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.312 -7.044 -1.141 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.629 -9.282 -3.207 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.627 -9.422 -1.460 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.975 -9.251 -2.860 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.827 -8.578 -1.249 1.00 0.00 H new ATOM 40 N ILE A 4 -8.850 -5.814 -4.806 1.00 0.00 N ATOM 41 CA ILE A 4 -8.319 -5.691 -6.157 1.00 0.00 C ATOM 42 C ILE A 4 -7.050 -6.532 -6.184 1.00 0.00 C ATOM 43 O ILE A 4 -6.091 -6.218 -5.478 1.00 0.00 O ATOM 44 CB ILE A 4 -8.006 -4.218 -6.535 1.00 0.00 C ATOM 45 CG1 ILE A 4 -9.179 -3.239 -6.322 1.00 0.00 C ATOM 46 CG2 ILE A 4 -7.609 -4.155 -8.020 1.00 0.00 C ATOM 47 CD1 ILE A 4 -9.239 -2.671 -4.900 1.00 0.00 C ATOM 0 H ILE A 4 -8.293 -5.315 -4.112 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.053 -6.033 -6.887 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.202 -3.906 -5.868 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.091 -2.416 -7.032 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.116 -3.751 -6.542 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.387 -3.124 -8.294 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.726 -4.772 -8.187 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.432 -4.524 -8.632 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.086 -1.990 -4.816 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.357 -3.487 -4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.317 -2.132 -4.684 1.00 0.00 H new ATOM 59 N ALA A 5 -7.024 -7.595 -6.985 1.00 0.00 N ATOM 60 CA ALA A 5 -5.799 -8.355 -7.148 1.00 0.00 C ATOM 61 C ALA A 5 -5.004 -7.606 -8.200 1.00 0.00 C ATOM 62 O ALA A 5 -5.461 -7.437 -9.334 1.00 0.00 O ATOM 63 CB ALA A 5 -6.073 -9.799 -7.557 1.00 0.00 C ATOM 0 H ALA A 5 -7.822 -7.940 -7.519 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.248 -8.434 -6.211 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.128 -10.331 -7.668 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.676 -10.286 -6.791 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.611 -9.813 -8.505 1.00 0.00 H new ATOM 69 N ILE A 6 -3.862 -7.081 -7.782 1.00 0.00 N ATOM 70 CA ILE A 6 -2.950 -6.324 -8.611 1.00 0.00 C ATOM 71 C ILE A 6 -1.844 -7.278 -9.044 1.00 0.00 C ATOM 72 O ILE A 6 -1.567 -8.263 -8.368 1.00 0.00 O ATOM 73 CB ILE A 6 -2.505 -5.034 -7.884 1.00 0.00 C ATOM 74 CG1 ILE A 6 -2.231 -5.103 -6.361 1.00 0.00 C ATOM 75 CG2 ILE A 6 -3.603 -3.983 -8.095 1.00 0.00 C ATOM 76 CD1 ILE A 6 -0.963 -5.852 -5.958 1.00 0.00 C ATOM 0 H ILE A 6 -3.538 -7.177 -6.820 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.411 -5.945 -9.523 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.535 -4.806 -8.325 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.171 -4.086 -5.973 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.084 -5.579 -5.877 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.321 -3.057 -7.594 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.727 -3.795 -9.162 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.542 -4.349 -7.680 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.864 -5.842 -4.873 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.023 -6.883 -6.308 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.096 -5.367 -6.406 1.00 0.00 H new ATOM 88 N THR A 7 -1.158 -6.985 -10.144 1.00 0.00 N ATOM 89 CA THR A 7 -0.186 -7.912 -10.711 1.00 0.00 C ATOM 90 C THR A 7 1.192 -7.802 -10.035 1.00 0.00 C ATOM 91 O THR A 7 2.209 -8.049 -10.676 1.00 0.00 O ATOM 92 CB THR A 7 -0.248 -7.760 -12.251 1.00 0.00 C ATOM 93 OG1 THR A 7 0.269 -8.895 -12.916 1.00 0.00 O ATOM 94 CG2 THR A 7 0.394 -6.492 -12.819 1.00 0.00 C ATOM 0 H THR A 7 -1.258 -6.111 -10.661 1.00 0.00 H new ATOM 0 HA THR A 7 -0.430 -8.952 -10.496 1.00 0.00 H new ATOM 0 HB THR A 7 -1.316 -7.666 -12.449 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.211 -8.761 -13.885 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.294 -6.488 -13.904 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.104 -5.615 -12.405 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.451 -6.468 -12.552 1.00 0.00 H new ATOM 102 N CYS A 8 1.247 -7.411 -8.752 1.00 0.00 N ATOM 103 CA CYS A 8 2.443 -7.220 -7.915 1.00 0.00 C ATOM 104 C CYS A 8 3.560 -6.357 -8.545 1.00 0.00 C ATOM 105 O CYS A 8 4.657 -6.265 -8.013 1.00 0.00 O ATOM 106 CB CYS A 8 2.947 -8.587 -7.435 1.00 0.00 C ATOM 107 SG CYS A 8 1.892 -9.462 -6.245 1.00 0.00 S ATOM 0 H CYS A 8 0.393 -7.205 -8.234 1.00 0.00 H new ATOM 0 HA CYS A 8 2.134 -6.622 -7.058 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.082 -9.227 -8.307 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.930 -8.450 -6.984 1.00 0.00 H new ATOM 112 N PHE A 9 3.255 -5.645 -9.627 1.00 0.00 N ATOM 113 CA PHE A 9 4.105 -4.672 -10.310 1.00 0.00 C ATOM 114 C PHE A 9 3.440 -3.286 -10.243 1.00 0.00 C ATOM 115 O PHE A 9 4.035 -2.250 -10.537 1.00 0.00 O ATOM 116 CB PHE A 9 4.256 -5.164 -11.756 1.00 0.00 C ATOM 117 CG PHE A 9 5.187 -4.356 -12.630 1.00 0.00 C ATOM 118 CD1 PHE A 9 6.558 -4.666 -12.663 1.00 0.00 C ATOM 119 CD2 PHE A 9 4.681 -3.328 -13.450 1.00 0.00 C ATOM 120 CE1 PHE A 9 7.419 -3.953 -13.512 1.00 0.00 C ATOM 121 CE2 PHE A 9 5.545 -2.614 -14.295 1.00 0.00 C ATOM 122 CZ PHE A 9 6.915 -2.926 -14.328 1.00 0.00 C ATOM 0 H PHE A 9 2.346 -5.739 -10.081 1.00 0.00 H new ATOM 0 HA PHE A 9 5.088 -4.580 -9.847 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.611 -6.194 -11.734 1.00 0.00 H new ATOM 0 HB3 PHE A 9 3.270 -5.176 -12.221 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.949 -5.453 -12.035 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.628 -3.089 -13.428 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.471 -4.194 -13.538 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.157 -1.824 -14.921 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.579 -2.377 -14.979 1.00 0.00 H new ATOM 132 N THR A 10 2.157 -3.276 -9.891 1.00 0.00 N ATOM 133 CA THR A 10 1.288 -2.135 -9.766 1.00 0.00 C ATOM 134 C THR A 10 1.715 -1.213 -8.626 1.00 0.00 C ATOM 135 O THR A 10 1.750 -1.610 -7.459 1.00 0.00 O ATOM 136 CB THR A 10 -0.130 -2.673 -9.533 1.00 0.00 C ATOM 137 OG1 THR A 10 -0.448 -3.642 -10.522 1.00 0.00 O ATOM 138 CG2 THR A 10 -1.193 -1.578 -9.546 1.00 0.00 C ATOM 0 H THR A 10 1.669 -4.144 -9.670 1.00 0.00 H new ATOM 0 HA THR A 10 1.334 -1.532 -10.673 1.00 0.00 H new ATOM 0 HB THR A 10 -0.134 -3.121 -8.539 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.354 -3.983 -10.367 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.174 -2.021 -9.376 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.980 -0.855 -8.759 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.185 -1.075 -10.513 1.00 0.00 H new ATOM 146 N ARG A 11 2.088 0.014 -8.973 1.00 0.00 N ATOM 147 CA ARG A 11 2.380 1.066 -8.017 1.00 0.00 C ATOM 148 C ARG A 11 1.024 1.623 -7.564 1.00 0.00 C ATOM 149 O ARG A 11 -0.007 1.366 -8.198 1.00 0.00 O ATOM 150 CB ARG A 11 3.246 2.121 -8.726 1.00 0.00 C ATOM 151 CG ARG A 11 4.695 1.639 -8.899 1.00 0.00 C ATOM 152 CD ARG A 11 5.503 2.593 -9.783 1.00 0.00 C ATOM 153 NE ARG A 11 5.096 2.478 -11.190 1.00 0.00 N ATOM 154 CZ ARG A 11 5.634 3.149 -12.215 1.00 0.00 C ATOM 155 NH1 ARG A 11 6.695 3.928 -12.042 1.00 0.00 N ATOM 156 NH2 ARG A 11 5.112 3.068 -13.431 1.00 0.00 N ATOM 0 H ARG A 11 2.197 0.306 -9.944 1.00 0.00 H new ATOM 0 HA ARG A 11 2.933 0.723 -7.143 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.818 2.347 -9.703 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.236 3.047 -8.151 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.171 1.556 -7.922 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.698 0.642 -9.340 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.361 3.619 -9.442 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.566 2.370 -9.689 1.00 0.00 H new ATOM 0 HE ARG A 11 4.338 1.830 -11.404 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.113 4.022 -11.116 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.092 4.432 -12.835 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.289 2.488 -13.595 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.533 3.585 -14.202 1.00 0.00 H new ATOM 170 N GLY A 12 1.009 2.458 -6.531 1.00 0.00 N ATOM 171 CA GLY A 12 -0.188 3.164 -6.070 1.00 0.00 C ATOM 172 C GLY A 12 -0.734 4.160 -7.107 1.00 0.00 C ATOM 173 O GLY A 12 -1.676 4.901 -6.828 1.00 0.00 O ATOM 0 H GLY A 12 1.840 2.669 -5.979 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.963 2.436 -5.830 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.044 3.698 -5.148 1.00 0.00 H new ATOM 177 N LEU A 13 -0.165 4.203 -8.314 1.00 0.00 N ATOM 178 CA LEU A 13 -0.588 5.047 -9.416 1.00 0.00 C ATOM 179 C LEU A 13 -1.949 4.569 -9.914 1.00 0.00 C ATOM 180 O LEU A 13 -2.791 5.401 -10.241 1.00 0.00 O ATOM 181 CB LEU A 13 0.428 4.942 -10.567 1.00 0.00 C ATOM 182 CG LEU A 13 1.870 5.359 -10.218 1.00 0.00 C ATOM 183 CD1 LEU A 13 2.783 5.135 -11.424 1.00 0.00 C ATOM 184 CD2 LEU A 13 1.965 6.813 -9.756 1.00 0.00 C ATOM 0 H LEU A 13 0.638 3.622 -8.553 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.652 6.081 -9.078 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.442 3.912 -10.923 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.079 5.561 -11.394 1.00 0.00 H new ATOM 0 HG LEU A 13 2.193 4.735 -9.385 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.801 5.432 -11.170 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.771 4.080 -11.699 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.430 5.733 -12.264 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.002 7.054 -9.523 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.609 7.471 -10.549 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.352 6.953 -8.866 1.00 0.00 H new ATOM 196 N ASP A 14 -2.169 3.250 -9.954 1.00 0.00 N ATOM 197 CA ASP A 14 -3.462 2.660 -10.305 1.00 0.00 C ATOM 198 C ASP A 14 -4.448 2.780 -9.147 1.00 0.00 C ATOM 199 O ASP A 14 -5.610 3.140 -9.348 1.00 0.00 O ATOM 200 CB ASP A 14 -3.338 1.161 -10.645 1.00 0.00 C ATOM 201 CG ASP A 14 -2.861 0.834 -12.061 1.00 0.00 C ATOM 202 OD1 ASP A 14 -2.564 1.759 -12.851 1.00 0.00 O ATOM 203 OD2 ASP A 14 -2.822 -0.373 -12.407 1.00 0.00 O ATOM 0 H ASP A 14 -1.449 2.559 -9.742 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.817 3.209 -11.177 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.649 0.703 -9.936 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.310 0.692 -10.493 1.00 0.00 H new ATOM 208 N ILE A 15 -4.026 2.419 -7.932 1.00 0.00 N ATOM 209 CA ILE A 15 -4.925 2.365 -6.787 1.00 0.00 C ATOM 210 C ILE A 15 -4.829 3.685 -6.036 1.00 0.00 C ATOM 211 O ILE A 15 -4.013 3.878 -5.139 1.00 0.00 O ATOM 212 CB ILE A 15 -4.703 1.065 -5.974 1.00 0.00 C ATOM 213 CG1 ILE A 15 -5.094 -0.111 -6.911 1.00 0.00 C ATOM 214 CG2 ILE A 15 -5.528 1.024 -4.672 1.00 0.00 C ATOM 215 CD1 ILE A 15 -5.221 -1.485 -6.256 1.00 0.00 C ATOM 0 H ILE A 15 -3.062 2.160 -7.720 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.971 2.282 -7.082 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.662 1.003 -5.657 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.045 0.131 -7.385 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.350 -0.178 -7.705 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.331 0.090 -4.146 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.248 1.864 -4.037 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.589 1.088 -4.912 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.497 -2.223 -7.009 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.267 -1.764 -5.808 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.989 -1.450 -5.483 1.00 0.00 H new ATOM 227 N ARG A 16 -5.740 4.586 -6.396 1.00 0.00 N ATOM 228 CA ARG A 16 -5.944 5.870 -5.745 1.00 0.00 C ATOM 229 C ARG A 16 -7.376 5.874 -5.232 1.00 0.00 C ATOM 230 O ARG A 16 -8.229 6.586 -5.762 1.00 0.00 O ATOM 231 CB ARG A 16 -5.663 7.025 -6.717 1.00 0.00 C ATOM 232 CG ARG A 16 -4.270 6.985 -7.353 1.00 0.00 C ATOM 233 CD ARG A 16 -4.076 8.250 -8.191 1.00 0.00 C ATOM 234 NE ARG A 16 -3.055 8.057 -9.227 1.00 0.00 N ATOM 235 CZ ARG A 16 -2.211 8.980 -9.691 1.00 0.00 C ATOM 236 NH1 ARG A 16 -2.202 10.209 -9.188 1.00 0.00 N ATOM 237 NH2 ARG A 16 -1.359 8.662 -10.657 1.00 0.00 N ATOM 0 H ARG A 16 -6.377 4.433 -7.177 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.253 6.013 -4.914 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.412 7.009 -7.509 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.781 7.969 -6.185 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.504 6.923 -6.580 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.165 6.098 -7.978 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.021 8.527 -8.657 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.786 9.077 -7.542 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.983 7.124 -9.633 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.846 10.457 -8.437 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.551 10.905 -9.553 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.352 7.717 -11.040 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.711 9.363 -11.017 1.00 0.00 H new ATOM 251 N LYS A 17 -7.683 4.984 -4.286 1.00 0.00 N ATOM 252 CA LYS A 17 -8.994 4.934 -3.646 1.00 0.00 C ATOM 253 C LYS A 17 -8.850 5.305 -2.187 1.00 0.00 C ATOM 254 O LYS A 17 -7.763 5.198 -1.616 1.00 0.00 O ATOM 255 CB LYS A 17 -9.658 3.565 -3.836 1.00 0.00 C ATOM 256 CG LYS A 17 -10.032 3.341 -5.310 1.00 0.00 C ATOM 257 CD LYS A 17 -9.033 2.436 -6.034 1.00 0.00 C ATOM 258 CE LYS A 17 -9.318 0.970 -5.687 1.00 0.00 C ATOM 259 NZ LYS A 17 -10.519 0.480 -6.396 1.00 0.00 N ATOM 0 H LYS A 17 -7.029 4.280 -3.944 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.656 5.658 -4.121 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.981 2.778 -3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.552 3.500 -3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.026 2.898 -5.366 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.082 4.303 -5.820 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.106 2.586 -7.111 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.015 2.697 -5.745 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.458 0.356 -5.954 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.460 0.869 -4.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.522 -0.560 -6.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.373 0.828 -5.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.509 0.826 -7.377 1.00 0.00 H new ATOM 273 N GLU A 18 -9.960 5.711 -1.590 1.00 0.00 N ATOM 274 CA GLU A 18 -10.000 6.225 -0.239 1.00 0.00 C ATOM 275 C GLU A 18 -9.624 5.124 0.757 1.00 0.00 C ATOM 276 O GLU A 18 -8.904 5.366 1.723 1.00 0.00 O ATOM 277 CB GLU A 18 -11.379 6.842 -0.020 1.00 0.00 C ATOM 278 CG GLU A 18 -11.353 7.826 1.140 1.00 0.00 C ATOM 279 CD GLU A 18 -12.533 8.778 1.034 1.00 0.00 C ATOM 280 OE1 GLU A 18 -13.634 8.423 1.507 1.00 0.00 O ATOM 281 OE2 GLU A 18 -12.369 9.904 0.509 1.00 0.00 O ATOM 0 H GLU A 18 -10.873 5.690 -2.044 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.262 7.010 -0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.703 7.351 -0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.106 6.056 0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.392 7.287 2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.419 8.388 1.132 1.00 0.00 H new ATOM 288 N LYS A 19 -10.107 3.906 0.530 1.00 0.00 N ATOM 289 CA LYS A 19 -9.753 2.706 1.273 1.00 0.00 C ATOM 290 C LYS A 19 -10.126 1.542 0.375 1.00 0.00 C ATOM 291 O LYS A 19 -11.173 1.599 -0.286 1.00 0.00 O ATOM 292 CB LYS A 19 -10.347 2.605 2.692 1.00 0.00 C ATOM 293 CG LYS A 19 -11.863 2.715 2.900 1.00 0.00 C ATOM 294 CD LYS A 19 -12.423 4.124 2.646 1.00 0.00 C ATOM 295 CE LYS A 19 -13.590 4.453 3.580 1.00 0.00 C ATOM 296 NZ LYS A 19 -14.773 3.595 3.367 1.00 0.00 N ATOM 0 H LYS A 19 -10.785 3.723 -0.210 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.686 2.716 1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.032 1.648 3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.880 3.384 3.295 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.364 2.010 2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.103 2.417 3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.630 4.860 2.783 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.754 4.201 1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.258 4.351 4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.876 5.495 3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.525 3.870 4.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.113 3.709 2.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.515 2.601 3.530 1.00 0.00 H new ATOM 310 N ALA A 20 -9.249 0.555 0.262 1.00 0.00 N ATOM 311 CA ALA A 20 -9.445 -0.588 -0.606 1.00 0.00 C ATOM 312 C ALA A 20 -8.549 -1.712 -0.121 1.00 0.00 C ATOM 313 O ALA A 20 -7.413 -1.467 0.287 1.00 0.00 O ATOM 314 CB ALA A 20 -9.053 -0.225 -2.043 1.00 0.00 C ATOM 0 H ALA A 20 -8.370 0.529 0.779 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.492 -0.892 -0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.203 -1.089 -2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.673 0.601 -2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.004 0.071 -2.070 1.00 0.00 H new ATOM 320 N ASP A 21 -9.032 -2.943 -0.211 1.00 0.00 N ATOM 321 CA ASP A 21 -8.215 -4.107 0.092 1.00 0.00 C ATOM 322 C ASP A 21 -7.639 -4.556 -1.245 1.00 0.00 C ATOM 323 O ASP A 21 -8.281 -4.412 -2.288 1.00 0.00 O ATOM 324 CB ASP A 21 -9.024 -5.210 0.782 1.00 0.00 C ATOM 325 CG ASP A 21 -9.201 -4.958 2.278 1.00 0.00 C ATOM 326 OD1 ASP A 21 -10.027 -4.094 2.648 1.00 0.00 O ATOM 327 OD2 ASP A 21 -8.555 -5.676 3.075 1.00 0.00 O ATOM 0 H ASP A 21 -9.988 -3.161 -0.492 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.422 -3.868 0.800 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.004 -5.285 0.311 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.525 -6.168 0.635 1.00 0.00 H new ATOM 332 N VAL A 22 -6.418 -5.073 -1.252 1.00 0.00 N ATOM 333 CA VAL A 22 -5.742 -5.517 -2.464 1.00 0.00 C ATOM 334 C VAL A 22 -5.106 -6.884 -2.222 1.00 0.00 C ATOM 335 O VAL A 22 -4.814 -7.227 -1.081 1.00 0.00 O ATOM 336 CB VAL A 22 -4.725 -4.451 -2.943 1.00 0.00 C ATOM 337 CG1 VAL A 22 -5.383 -3.079 -3.153 1.00 0.00 C ATOM 338 CG2 VAL A 22 -3.553 -4.254 -1.970 1.00 0.00 C ATOM 0 H VAL A 22 -5.862 -5.198 -0.406 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.464 -5.633 -3.272 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.348 -4.842 -3.888 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.633 -2.363 -3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.167 -3.163 -3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.817 -2.736 -2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.877 -3.495 -2.363 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.935 -3.933 -1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.014 -5.194 -1.854 1.00 0.00 H new ATOM 348 N LEU A 23 -4.896 -7.670 -3.276 1.00 0.00 N ATOM 349 CA LEU A 23 -4.178 -8.943 -3.244 1.00 0.00 C ATOM 350 C LEU A 23 -2.940 -8.811 -4.092 1.00 0.00 C ATOM 351 O LEU A 23 -3.006 -8.259 -5.192 1.00 0.00 O ATOM 352 CB LEU A 23 -4.978 -10.160 -3.766 1.00 0.00 C ATOM 353 CG LEU A 23 -5.966 -10.860 -2.823 1.00 0.00 C ATOM 354 CD1 LEU A 23 -5.203 -11.839 -1.925 1.00 0.00 C ATOM 355 CD2 LEU A 23 -6.805 -9.907 -1.988 1.00 0.00 C ATOM 0 H LEU A 23 -5.233 -7.430 -4.208 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.966 -9.139 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.535 -9.835 -4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.259 -10.907 -4.103 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.677 -11.396 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.902 -12.338 -1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.700 -12.583 -2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.463 -11.294 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.477 -10.479 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.151 -9.293 -1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.390 -9.265 -2.646 1.00 0.00 H new ATOM 367 N CYS A 24 -1.846 -9.363 -3.583 1.00 0.00 N ATOM 368 CA CYS A 24 -0.596 -9.472 -4.287 1.00 0.00 C ATOM 369 C CYS A 24 -0.418 -10.986 -4.479 1.00 0.00 C ATOM 370 O CYS A 24 0.092 -11.640 -3.566 1.00 0.00 O ATOM 371 CB CYS A 24 0.549 -8.840 -3.483 1.00 0.00 C ATOM 372 SG CYS A 24 1.968 -8.389 -4.504 1.00 0.00 S ATOM 0 H CYS A 24 -1.814 -9.755 -2.642 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.588 -8.939 -5.238 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.179 -7.951 -2.973 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.872 -9.539 -2.711 1.00 0.00 H new ATOM 377 N PRO A 25 -0.935 -11.582 -5.568 1.00 0.00 N ATOM 378 CA PRO A 25 -0.780 -13.002 -5.823 1.00 0.00 C ATOM 379 C PRO A 25 0.670 -13.316 -6.183 1.00 0.00 C ATOM 380 O PRO A 25 1.373 -12.494 -6.773 1.00 0.00 O ATOM 381 CB PRO A 25 -1.730 -13.321 -6.976 1.00 0.00 C ATOM 382 CG PRO A 25 -1.807 -12.001 -7.746 1.00 0.00 C ATOM 383 CD PRO A 25 -1.637 -10.940 -6.663 1.00 0.00 C ATOM 0 HA PRO A 25 -1.017 -13.608 -4.948 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.348 -14.129 -7.600 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.710 -13.634 -6.615 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.024 -11.932 -8.501 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.760 -11.895 -8.264 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.072 -10.087 -7.040 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.605 -10.561 -6.335 1.00 0.00 H new ATOM 391 N GLY A 26 1.086 -14.551 -5.925 1.00 0.00 N ATOM 392 CA GLY A 26 2.482 -14.926 -6.097 1.00 0.00 C ATOM 393 C GLY A 26 3.273 -14.477 -4.870 1.00 0.00 C ATOM 394 O GLY A 26 2.707 -14.381 -3.778 1.00 0.00 O ATOM 0 H GLY A 26 0.480 -15.304 -5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.569 -16.005 -6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.888 -14.463 -6.997 1.00 0.00 H new ATOM 398 N GLY A 27 4.582 -14.265 -5.012 1.00 0.00 N ATOM 399 CA GLY A 27 5.482 -13.956 -3.903 1.00 0.00 C ATOM 400 C GLY A 27 5.997 -12.515 -3.864 1.00 0.00 C ATOM 401 O GLY A 27 6.399 -12.080 -2.790 1.00 0.00 O ATOM 0 H GLY A 27 5.053 -14.304 -5.916 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.964 -14.165 -2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.338 -14.630 -3.952 1.00 0.00 H new ATOM 405 N CYS A 28 5.831 -11.739 -4.945 1.00 0.00 N ATOM 406 CA CYS A 28 6.380 -10.393 -5.135 1.00 0.00 C ATOM 407 C CYS A 28 7.841 -10.306 -4.637 1.00 0.00 C ATOM 408 O CYS A 28 8.101 -9.815 -3.535 1.00 0.00 O ATOM 409 CB CYS A 28 5.480 -9.294 -4.559 1.00 0.00 C ATOM 410 SG CYS A 28 5.854 -7.692 -5.335 1.00 0.00 S ATOM 0 H CYS A 28 5.284 -12.050 -5.748 1.00 0.00 H new ATOM 0 HA CYS A 28 6.402 -10.205 -6.208 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.433 -9.549 -4.724 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.625 -9.225 -3.481 1.00 0.00 H new ATOM 415 N PRO A 29 8.795 -10.842 -5.423 1.00 0.00 N ATOM 416 CA PRO A 29 10.196 -10.953 -5.038 1.00 0.00 C ATOM 417 C PRO A 29 10.854 -9.588 -4.845 1.00 0.00 C ATOM 418 O PRO A 29 10.385 -8.574 -5.367 1.00 0.00 O ATOM 419 CB PRO A 29 10.858 -11.743 -6.170 1.00 0.00 C ATOM 420 CG PRO A 29 10.043 -11.348 -7.393 1.00 0.00 C ATOM 421 CD PRO A 29 8.635 -11.241 -6.816 1.00 0.00 C ATOM 0 HA PRO A 29 10.304 -11.451 -4.075 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.909 -11.479 -6.284 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.817 -12.817 -5.989 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.381 -10.404 -7.821 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.104 -12.096 -8.183 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.044 -10.508 -7.365 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.111 -12.194 -6.890 1.00 0.00 H new ATOM 429 N LEU A 30 11.996 -9.577 -4.154 1.00 0.00 N ATOM 430 CA LEU A 30 12.854 -8.414 -3.947 1.00 0.00 C ATOM 431 C LEU A 30 13.672 -8.205 -5.224 1.00 0.00 C ATOM 432 O LEU A 30 14.894 -8.334 -5.219 1.00 0.00 O ATOM 433 CB LEU A 30 13.761 -8.671 -2.721 1.00 0.00 C ATOM 434 CG LEU A 30 13.004 -8.789 -1.381 1.00 0.00 C ATOM 435 CD1 LEU A 30 13.715 -9.763 -0.437 1.00 0.00 C ATOM 436 CD2 LEU A 30 12.871 -7.434 -0.678 1.00 0.00 C ATOM 0 H LEU A 30 12.362 -10.417 -3.705 1.00 0.00 H new ATOM 0 HA LEU A 30 12.273 -7.514 -3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 30 14.325 -9.589 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.486 -7.861 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 30 12.008 -9.162 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.163 -9.829 0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.764 -10.749 -0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.725 -9.405 -0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.332 -7.562 0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.863 -7.031 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.323 -6.744 -1.319 1.00 0.00 H new ATOM 448 N GLU A 31 12.996 -7.911 -6.331 1.00 0.00 N ATOM 449 CA GLU A 31 13.608 -7.675 -7.630 1.00 0.00 C ATOM 450 C GLU A 31 13.923 -6.185 -7.726 1.00 0.00 C ATOM 451 O GLU A 31 15.081 -5.807 -7.876 1.00 0.00 O ATOM 452 CB GLU A 31 12.666 -8.196 -8.728 1.00 0.00 C ATOM 453 CG GLU A 31 13.143 -7.892 -10.152 1.00 0.00 C ATOM 454 CD GLU A 31 14.564 -8.374 -10.455 1.00 0.00 C ATOM 455 OE1 GLU A 31 15.025 -9.393 -9.883 1.00 0.00 O ATOM 456 OE2 GLU A 31 15.216 -7.756 -11.323 1.00 0.00 O ATOM 0 H GLU A 31 11.979 -7.829 -6.347 1.00 0.00 H new ATOM 0 HA GLU A 31 14.546 -8.214 -7.761 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.554 -9.274 -8.615 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.679 -7.757 -8.585 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.456 -8.355 -10.860 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.094 -6.816 -10.318 1.00 0.00 H new ATOM 463 N GLU A 32 12.906 -5.333 -7.598 1.00 0.00 N ATOM 464 CA GLU A 32 13.055 -3.890 -7.531 1.00 0.00 C ATOM 465 C GLU A 32 11.898 -3.368 -6.697 1.00 0.00 C ATOM 466 O GLU A 32 10.741 -3.664 -7.014 1.00 0.00 O ATOM 467 CB GLU A 32 12.901 -3.192 -8.887 1.00 0.00 C ATOM 468 CG GLU A 32 13.897 -3.472 -10.009 1.00 0.00 C ATOM 469 CD GLU A 32 13.585 -2.560 -11.203 1.00 0.00 C ATOM 470 OE1 GLU A 32 12.434 -2.066 -11.337 1.00 0.00 O ATOM 471 OE2 GLU A 32 14.498 -2.288 -12.018 1.00 0.00 O ATOM 0 H GLU A 32 11.935 -5.640 -7.537 1.00 0.00 H new ATOM 0 HA GLU A 32 14.051 -3.689 -7.137 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.909 -3.437 -9.266 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.915 -2.118 -8.702 1.00 0.00 H new ATOM 0 HG2 GLU A 32 14.915 -3.298 -9.660 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.838 -4.518 -10.310 1.00 0.00 H new ATOM 478 N PHE A 33 12.178 -2.577 -5.668 1.00 0.00 N ATOM 479 CA PHE A 33 11.132 -1.922 -4.908 1.00 0.00 C ATOM 480 C PHE A 33 11.542 -0.482 -4.715 1.00 0.00 C ATOM 481 O PHE A 33 12.508 -0.179 -4.012 1.00 0.00 O ATOM 482 CB PHE A 33 10.871 -2.634 -3.585 1.00 0.00 C ATOM 483 CG PHE A 33 10.199 -3.981 -3.734 1.00 0.00 C ATOM 484 CD1 PHE A 33 9.012 -4.105 -4.478 1.00 0.00 C ATOM 485 CD2 PHE A 33 10.738 -5.111 -3.096 1.00 0.00 C ATOM 486 CE1 PHE A 33 8.376 -5.348 -4.568 1.00 0.00 C ATOM 487 CE2 PHE A 33 10.030 -6.322 -3.085 1.00 0.00 C ATOM 488 CZ PHE A 33 8.850 -6.443 -3.831 1.00 0.00 C ATOM 0 H PHE A 33 13.124 -2.376 -5.344 1.00 0.00 H new ATOM 0 HA PHE A 33 10.187 -1.962 -5.450 1.00 0.00 H new ATOM 0 HB2 PHE A 33 11.818 -2.768 -3.063 1.00 0.00 H new ATOM 0 HB3 PHE A 33 10.249 -1.996 -2.957 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.593 -3.244 -4.978 1.00 0.00 H new ATOM 0 HD2 PHE A 33 11.701 -5.047 -2.612 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.515 -5.465 -5.209 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.393 -7.157 -2.504 1.00 0.00 H new ATOM 0 HZ PHE A 33 8.307 -7.377 -3.838 1.00 0.00 H new ATOM 498 N SER A 34 10.783 0.408 -5.336 1.00 0.00 N ATOM 499 CA SER A 34 10.998 1.831 -5.293 1.00 0.00 C ATOM 500 C SER A 34 9.804 2.358 -4.506 1.00 0.00 C ATOM 501 O SER A 34 8.643 2.163 -4.887 1.00 0.00 O ATOM 502 CB SER A 34 11.114 2.351 -6.731 1.00 0.00 C ATOM 503 OG SER A 34 11.791 3.591 -6.771 1.00 0.00 O ATOM 0 H SER A 34 9.976 0.142 -5.900 1.00 0.00 H new ATOM 0 HA SER A 34 11.918 2.157 -4.808 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.647 1.623 -7.342 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.119 2.462 -7.162 1.00 0.00 H new ATOM 0 HG SER A 34 11.179 4.307 -6.501 1.00 0.00 H new ATOM 509 N VAL A 35 10.085 2.917 -3.336 1.00 0.00 N ATOM 510 CA VAL A 35 9.083 3.438 -2.428 1.00 0.00 C ATOM 511 C VAL A 35 9.437 4.899 -2.196 1.00 0.00 C ATOM 512 O VAL A 35 10.593 5.315 -2.340 1.00 0.00 O ATOM 513 CB VAL A 35 9.027 2.554 -1.163 1.00 0.00 C ATOM 514 CG1 VAL A 35 7.999 3.027 -0.132 1.00 0.00 C ATOM 515 CG2 VAL A 35 8.636 1.122 -1.547 1.00 0.00 C ATOM 0 H VAL A 35 11.038 3.021 -2.988 1.00 0.00 H new ATOM 0 HA VAL A 35 8.067 3.405 -2.823 1.00 0.00 H new ATOM 0 HB VAL A 35 10.021 2.613 -0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.014 2.360 0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.245 4.039 0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.005 3.019 -0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.598 0.503 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.657 1.128 -2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.375 0.716 -2.238 1.00 0.00 H new ATOM 525 N TYR A 36 8.432 5.693 -1.858 1.00 0.00 N ATOM 526 CA TYR A 36 8.558 7.120 -1.723 1.00 0.00 C ATOM 527 C TYR A 36 7.782 7.548 -0.479 1.00 0.00 C ATOM 528 O TYR A 36 6.551 7.551 -0.493 1.00 0.00 O ATOM 529 CB TYR A 36 8.068 7.793 -3.004 1.00 0.00 C ATOM 530 CG TYR A 36 8.913 7.598 -4.252 1.00 0.00 C ATOM 531 CD1 TYR A 36 8.801 6.427 -5.030 1.00 0.00 C ATOM 532 CD2 TYR A 36 9.812 8.609 -4.645 1.00 0.00 C ATOM 533 CE1 TYR A 36 9.629 6.239 -6.151 1.00 0.00 C ATOM 534 CE2 TYR A 36 10.641 8.431 -5.764 1.00 0.00 C ATOM 535 CZ TYR A 36 10.575 7.228 -6.502 1.00 0.00 C ATOM 536 OH TYR A 36 11.443 7.019 -7.527 1.00 0.00 O ATOM 0 H TYR A 36 7.491 5.348 -1.668 1.00 0.00 H new ATOM 0 HA TYR A 36 9.595 7.427 -1.590 1.00 0.00 H new ATOM 0 HB2 TYR A 36 7.063 7.428 -3.215 1.00 0.00 H new ATOM 0 HB3 TYR A 36 7.986 8.863 -2.814 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.076 5.672 -4.764 1.00 0.00 H new ATOM 0 HD2 TYR A 36 9.864 9.528 -4.081 1.00 0.00 H new ATOM 0 HE1 TYR A 36 9.542 5.340 -6.743 1.00 0.00 H new ATOM 0 HE2 TYR A 36 11.327 9.211 -6.060 1.00 0.00 H new ATOM 0 HH TYR A 36 12.022 7.803 -7.631 1.00 0.00 H new ATOM 546 N GLY A 37 8.517 7.874 0.586 1.00 0.00 N ATOM 547 CA GLY A 37 8.017 8.212 1.906 1.00 0.00 C ATOM 548 C GLY A 37 7.774 6.943 2.719 1.00 0.00 C ATOM 549 O GLY A 37 7.388 5.910 2.173 1.00 0.00 O ATOM 0 H GLY A 37 9.535 7.909 0.540 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.734 8.851 2.422 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.090 8.779 1.818 1.00 0.00 H new ATOM 553 N ASN A 38 8.078 6.995 4.015 1.00 0.00 N ATOM 554 CA ASN A 38 7.797 5.933 4.976 1.00 0.00 C ATOM 555 C ASN A 38 6.485 6.279 5.674 1.00 0.00 C ATOM 556 O ASN A 38 6.261 7.455 5.962 1.00 0.00 O ATOM 557 CB ASN A 38 8.938 5.813 5.990 1.00 0.00 C ATOM 558 CG ASN A 38 9.025 6.999 6.948 1.00 0.00 C ATOM 559 OD1 ASN A 38 9.187 8.138 6.524 1.00 0.00 O ATOM 560 ND2 ASN A 38 8.940 6.759 8.245 1.00 0.00 N ATOM 0 H ASN A 38 8.540 7.801 4.436 1.00 0.00 H new ATOM 0 HA ASN A 38 7.712 4.972 4.470 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.806 4.898 6.567 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.882 5.718 5.454 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.009 7.528 8.912 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.805 5.805 8.579 1.00 0.00 H new ATOM 567 N ILE A 39 5.656 5.284 6.018 1.00 0.00 N ATOM 568 CA ILE A 39 4.297 5.417 6.574 1.00 0.00 C ATOM 569 C ILE A 39 3.379 6.089 5.551 1.00 0.00 C ATOM 570 O ILE A 39 2.364 5.492 5.187 1.00 0.00 O ATOM 571 CB ILE A 39 4.272 6.054 7.990 1.00 0.00 C ATOM 572 CG1 ILE A 39 4.788 5.061 9.052 1.00 0.00 C ATOM 573 CG2 ILE A 39 2.881 6.588 8.394 1.00 0.00 C ATOM 574 CD1 ILE A 39 3.803 3.931 9.384 1.00 0.00 C ATOM 0 H ILE A 39 5.929 4.307 5.911 1.00 0.00 H new ATOM 0 HA ILE A 39 3.895 4.419 6.750 1.00 0.00 H new ATOM 0 HB ILE A 39 4.940 6.914 7.944 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.722 4.623 8.701 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.017 5.609 9.966 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.933 7.020 9.393 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.565 7.353 7.684 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.162 5.769 8.390 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.241 3.277 10.138 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.876 4.357 9.767 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.592 3.356 8.483 1.00 0.00 H new ATOM 586 N VAL A 40 3.686 7.323 5.157 1.00 0.00 N ATOM 587 CA VAL A 40 3.034 8.070 4.109 1.00 0.00 C ATOM 588 C VAL A 40 3.737 7.571 2.851 1.00 0.00 C ATOM 589 O VAL A 40 4.794 8.078 2.475 1.00 0.00 O ATOM 590 CB VAL A 40 3.257 9.581 4.314 1.00 0.00 C ATOM 591 CG1 VAL A 40 2.702 10.391 3.137 1.00 0.00 C ATOM 592 CG2 VAL A 40 2.575 10.086 5.587 1.00 0.00 C ATOM 0 H VAL A 40 4.443 7.850 5.593 1.00 0.00 H new ATOM 0 HA VAL A 40 1.953 7.932 4.074 1.00 0.00 H new ATOM 0 HB VAL A 40 4.335 9.719 4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.875 11.453 3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.204 10.088 2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.632 10.209 3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.755 11.155 5.697 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.502 9.904 5.522 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.981 9.559 6.451 1.00 0.00 H new ATOM 602 N TYR A 41 3.158 6.568 2.215 1.00 0.00 N ATOM 603 CA TYR A 41 3.618 6.057 0.947 1.00 0.00 C ATOM 604 C TYR A 41 2.939 6.902 -0.116 1.00 0.00 C ATOM 605 O TYR A 41 1.710 6.955 -0.185 1.00 0.00 O ATOM 606 CB TYR A 41 3.274 4.566 0.847 1.00 0.00 C ATOM 607 CG TYR A 41 3.971 3.766 1.931 1.00 0.00 C ATOM 608 CD1 TYR A 41 5.370 3.669 1.913 1.00 0.00 C ATOM 609 CD2 TYR A 41 3.255 3.256 3.028 1.00 0.00 C ATOM 610 CE1 TYR A 41 6.068 3.098 2.988 1.00 0.00 C ATOM 611 CE2 TYR A 41 3.946 2.694 4.117 1.00 0.00 C ATOM 612 CZ TYR A 41 5.357 2.624 4.108 1.00 0.00 C ATOM 613 OH TYR A 41 6.020 2.206 5.220 1.00 0.00 O ATOM 0 H TYR A 41 2.339 6.080 2.577 1.00 0.00 H new ATOM 0 HA TYR A 41 4.699 6.124 0.823 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.195 4.433 0.930 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.567 4.188 -0.132 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.918 4.039 1.059 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.176 3.296 3.035 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.145 3.022 2.957 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.395 2.314 4.964 1.00 0.00 H new ATOM 0 HH TYR A 41 6.981 2.364 5.107 1.00 0.00 H new ATOM 623 N ALA A 42 3.711 7.672 -0.878 1.00 0.00 N ATOM 624 CA ALA A 42 3.154 8.399 -2.006 1.00 0.00 C ATOM 625 C ALA A 42 2.693 7.374 -3.044 1.00 0.00 C ATOM 626 O ALA A 42 3.294 6.305 -3.168 1.00 0.00 O ATOM 627 CB ALA A 42 4.205 9.332 -2.592 1.00 0.00 C ATOM 0 H ALA A 42 4.712 7.806 -0.735 1.00 0.00 H new ATOM 0 HA ALA A 42 2.308 9.010 -1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.780 9.874 -3.437 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.526 10.042 -1.830 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.062 8.749 -2.929 1.00 0.00 H new ATOM 633 N SER A 43 1.696 7.737 -3.847 1.00 0.00 N ATOM 634 CA SER A 43 1.095 6.930 -4.906 1.00 0.00 C ATOM 635 C SER A 43 2.124 6.353 -5.898 1.00 0.00 C ATOM 636 O SER A 43 1.897 5.284 -6.452 1.00 0.00 O ATOM 637 CB SER A 43 0.027 7.827 -5.553 1.00 0.00 C ATOM 638 OG SER A 43 -0.535 7.368 -6.766 1.00 0.00 O ATOM 0 H SER A 43 1.260 8.656 -3.772 1.00 0.00 H new ATOM 0 HA SER A 43 0.639 6.026 -4.503 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.781 7.967 -4.835 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.468 8.808 -5.732 1.00 0.00 H new ATOM 0 HG SER A 43 -1.029 6.537 -6.604 1.00 0.00 H new ATOM 644 N VAL A 44 3.275 6.988 -6.118 1.00 0.00 N ATOM 645 CA VAL A 44 4.313 6.445 -6.998 1.00 0.00 C ATOM 646 C VAL A 44 5.018 5.206 -6.409 1.00 0.00 C ATOM 647 O VAL A 44 5.671 4.473 -7.148 1.00 0.00 O ATOM 648 CB VAL A 44 5.244 7.607 -7.411 1.00 0.00 C ATOM 649 CG1 VAL A 44 5.864 8.340 -6.212 1.00 0.00 C ATOM 650 CG2 VAL A 44 6.341 7.204 -8.401 1.00 0.00 C ATOM 0 H VAL A 44 3.514 7.885 -5.696 1.00 0.00 H new ATOM 0 HA VAL A 44 3.867 6.039 -7.906 1.00 0.00 H new ATOM 0 HB VAL A 44 4.579 8.299 -7.927 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.507 9.144 -6.570 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.071 8.758 -5.591 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.455 7.639 -5.623 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.952 8.074 -8.641 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.968 6.432 -7.955 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.885 6.818 -9.313 1.00 0.00 H new ATOM 660 N SER A 45 4.878 4.929 -5.112 1.00 0.00 N ATOM 661 CA SER A 45 5.461 3.749 -4.486 1.00 0.00 C ATOM 662 C SER A 45 4.837 2.453 -5.005 1.00 0.00 C ATOM 663 O SER A 45 3.650 2.414 -5.345 1.00 0.00 O ATOM 664 CB SER A 45 5.227 3.795 -2.970 1.00 0.00 C ATOM 665 OG SER A 45 5.629 5.032 -2.416 1.00 0.00 O ATOM 0 H SER A 45 4.355 5.521 -4.467 1.00 0.00 H new ATOM 0 HA SER A 45 6.524 3.758 -4.728 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.171 3.628 -2.760 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.779 2.986 -2.492 1.00 0.00 H new ATOM 0 HG SER A 45 4.933 5.703 -2.575 1.00 0.00 H new ATOM 671 N SER A 46 5.627 1.379 -5.015 1.00 0.00 N ATOM 672 CA SER A 46 5.145 0.044 -5.339 1.00 0.00 C ATOM 673 C SER A 46 4.115 -0.338 -4.270 1.00 0.00 C ATOM 674 O SER A 46 4.324 -0.024 -3.095 1.00 0.00 O ATOM 675 CB SER A 46 6.343 -0.906 -5.322 1.00 0.00 C ATOM 676 OG SER A 46 5.955 -2.262 -5.431 1.00 0.00 O ATOM 0 H SER A 46 6.623 1.415 -4.797 1.00 0.00 H new ATOM 0 HA SER A 46 4.677 -0.005 -6.322 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.014 -0.655 -6.143 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.903 -0.764 -4.398 1.00 0.00 H new ATOM 0 HG SER A 46 6.718 -2.797 -5.734 1.00 0.00 H new ATOM 682 N ILE A 47 3.029 -1.028 -4.637 1.00 0.00 N ATOM 683 CA ILE A 47 2.078 -1.530 -3.641 1.00 0.00 C ATOM 684 C ILE A 47 2.792 -2.588 -2.789 1.00 0.00 C ATOM 685 O ILE A 47 2.673 -2.549 -1.563 1.00 0.00 O ATOM 686 CB ILE A 47 0.772 -2.030 -4.309 1.00 0.00 C ATOM 687 CG1 ILE A 47 0.001 -0.807 -4.863 1.00 0.00 C ATOM 688 CG2 ILE A 47 -0.125 -2.812 -3.329 1.00 0.00 C ATOM 689 CD1 ILE A 47 -1.230 -1.167 -5.702 1.00 0.00 C ATOM 0 H ILE A 47 2.789 -1.249 -5.604 1.00 0.00 H new ATOM 0 HA ILE A 47 1.753 -0.729 -2.977 1.00 0.00 H new ATOM 0 HB ILE A 47 1.041 -2.716 -5.112 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.313 -0.181 -4.028 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.679 -0.209 -5.472 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.027 -3.141 -3.845 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.416 -3.681 -2.955 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.399 -2.168 -2.494 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.712 -0.254 -6.051 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.923 -1.766 -6.559 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.931 -1.737 -5.093 1.00 0.00 H new ATOM 701 N CYS A 48 3.566 -3.490 -3.413 1.00 0.00 N ATOM 702 CA CYS A 48 4.383 -4.449 -2.676 1.00 0.00 C ATOM 703 C CYS A 48 5.349 -3.681 -1.792 1.00 0.00 C ATOM 704 O CYS A 48 5.377 -3.900 -0.587 1.00 0.00 O ATOM 705 CB CYS A 48 5.232 -5.321 -3.596 1.00 0.00 C ATOM 706 SG CYS A 48 4.399 -6.371 -4.781 1.00 0.00 S ATOM 0 H CYS A 48 3.639 -3.570 -4.427 1.00 0.00 H new ATOM 0 HA CYS A 48 3.702 -5.085 -2.111 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.904 -4.664 -4.149 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.855 -5.958 -2.968 1.00 0.00 H new ATOM 711 N GLY A 49 6.129 -2.778 -2.396 1.00 0.00 N ATOM 712 CA GLY A 49 7.151 -2.020 -1.704 1.00 0.00 C ATOM 713 C GLY A 49 6.577 -1.349 -0.464 1.00 0.00 C ATOM 714 O GLY A 49 7.142 -1.504 0.609 1.00 0.00 O ATOM 0 H GLY A 49 6.060 -2.558 -3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.970 -2.680 -1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.566 -1.266 -2.372 1.00 0.00 H new ATOM 718 N ALA A 50 5.451 -0.642 -0.581 1.00 0.00 N ATOM 719 CA ALA A 50 4.790 0.001 0.543 1.00 0.00 C ATOM 720 C ALA A 50 4.427 -1.017 1.628 1.00 0.00 C ATOM 721 O ALA A 50 4.715 -0.780 2.797 1.00 0.00 O ATOM 722 CB ALA A 50 3.546 0.749 0.052 1.00 0.00 C ATOM 0 H ALA A 50 4.972 -0.502 -1.471 1.00 0.00 H new ATOM 0 HA ALA A 50 5.479 0.718 0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.053 1.230 0.897 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.840 1.506 -0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.859 0.044 -0.416 1.00 0.00 H new ATOM 728 N ALA A 51 3.783 -2.132 1.270 1.00 0.00 N ATOM 729 CA ALA A 51 3.339 -3.146 2.224 1.00 0.00 C ATOM 730 C ALA A 51 4.520 -3.789 2.963 1.00 0.00 C ATOM 731 O ALA A 51 4.470 -3.982 4.182 1.00 0.00 O ATOM 732 CB ALA A 51 2.498 -4.186 1.477 1.00 0.00 C ATOM 0 H ALA A 51 3.555 -2.356 0.301 1.00 0.00 H new ATOM 0 HA ALA A 51 2.727 -2.675 2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.159 -4.950 2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.634 -3.699 1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.102 -4.650 0.697 1.00 0.00 H new ATOM 738 N VAL A 52 5.575 -4.135 2.229 1.00 0.00 N ATOM 739 CA VAL A 52 6.796 -4.696 2.779 1.00 0.00 C ATOM 740 C VAL A 52 7.508 -3.648 3.656 1.00 0.00 C ATOM 741 O VAL A 52 7.912 -3.960 4.779 1.00 0.00 O ATOM 742 CB VAL A 52 7.650 -5.311 1.644 1.00 0.00 C ATOM 743 CG1 VAL A 52 8.883 -6.027 2.200 1.00 0.00 C ATOM 744 CG2 VAL A 52 6.914 -6.384 0.816 1.00 0.00 C ATOM 0 H VAL A 52 5.600 -4.029 1.215 1.00 0.00 H new ATOM 0 HA VAL A 52 6.582 -5.526 3.452 1.00 0.00 H new ATOM 0 HB VAL A 52 7.900 -4.454 1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.461 -6.448 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.499 -5.316 2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.568 -6.828 2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.579 -6.766 0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.610 -7.202 1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.032 -5.943 0.352 1.00 0.00 H new ATOM 754 N HIS A 53 7.606 -2.392 3.201 1.00 0.00 N ATOM 755 CA HIS A 53 8.229 -1.280 3.926 1.00 0.00 C ATOM 756 C HIS A 53 7.467 -0.951 5.206 1.00 0.00 C ATOM 757 O HIS A 53 8.063 -0.623 6.231 1.00 0.00 O ATOM 758 CB HIS A 53 8.296 -0.020 3.048 1.00 0.00 C ATOM 759 CG HIS A 53 9.143 1.065 3.660 1.00 0.00 C ATOM 760 ND1 HIS A 53 8.799 1.891 4.734 1.00 0.00 N ATOM 761 CD2 HIS A 53 10.437 1.298 3.316 1.00 0.00 C ATOM 762 CE1 HIS A 53 9.924 2.565 5.035 1.00 0.00 C ATOM 763 NE2 HIS A 53 10.918 2.234 4.195 1.00 0.00 N ATOM 0 H HIS A 53 7.242 -2.115 2.289 1.00 0.00 H new ATOM 0 HA HIS A 53 9.239 -1.598 4.186 1.00 0.00 H new ATOM 0 HB2 HIS A 53 8.699 -0.283 2.070 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.287 0.359 2.885 1.00 0.00 H new ATOM 0 HD2 HIS A 53 10.982 0.835 2.506 1.00 0.00 H new ATOM 0 HE1 HIS A 53 10.015 3.276 5.843 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.865 2.613 4.208 1.00 0.00 H new ATOM 771 N ARG A 54 6.138 -1.071 5.197 1.00 0.00 N ATOM 772 CA ARG A 54 5.319 -0.882 6.390 1.00 0.00 C ATOM 773 C ARG A 54 5.767 -1.826 7.505 1.00 0.00 C ATOM 774 O ARG A 54 5.559 -1.495 8.674 1.00 0.00 O ATOM 775 CB ARG A 54 3.843 -1.068 6.008 1.00 0.00 C ATOM 776 CG ARG A 54 2.825 -0.714 7.100 1.00 0.00 C ATOM 777 CD ARG A 54 2.694 0.791 7.315 1.00 0.00 C ATOM 778 NE ARG A 54 1.785 1.092 8.426 1.00 0.00 N ATOM 779 CZ ARG A 54 2.106 1.113 9.725 1.00 0.00 C ATOM 780 NH1 ARG A 54 3.261 0.594 10.146 1.00 0.00 N ATOM 781 NH2 ARG A 54 1.265 1.693 10.569 1.00 0.00 N ATOM 0 H ARG A 54 5.602 -1.302 4.361 1.00 0.00 H new ATOM 0 HA ARG A 54 5.443 0.128 6.781 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.634 -0.457 5.130 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.690 -2.107 5.717 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.852 -1.125 6.831 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.123 -1.186 8.036 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.676 1.218 7.519 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.325 1.260 6.403 1.00 0.00 H new ATOM 0 HE ARG A 54 0.817 1.305 8.186 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.907 0.177 9.476 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.498 0.614 11.138 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.400 2.108 10.223 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.483 1.724 11.565 1.00 0.00 H new ATOM 795 N GLY A 55 6.406 -2.949 7.161 1.00 0.00 N ATOM 796 CA GLY A 55 6.901 -3.936 8.097 1.00 0.00 C ATOM 797 C GLY A 55 5.789 -4.905 8.458 1.00 0.00 C ATOM 798 O GLY A 55 5.691 -5.289 9.622 1.00 0.00 O ATOM 0 H GLY A 55 6.594 -3.194 6.189 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.740 -4.477 7.659 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.273 -3.444 8.996 1.00 0.00 H new ATOM 802 N VAL A 56 4.921 -5.252 7.498 1.00 0.00 N ATOM 803 CA VAL A 56 3.744 -6.076 7.764 1.00 0.00 C ATOM 804 C VAL A 56 3.698 -7.300 6.848 1.00 0.00 C ATOM 805 O VAL A 56 3.243 -8.346 7.313 1.00 0.00 O ATOM 806 CB VAL A 56 2.452 -5.231 7.739 1.00 0.00 C ATOM 807 CG1 VAL A 56 1.327 -5.982 8.451 1.00 0.00 C ATOM 808 CG2 VAL A 56 2.606 -3.880 8.448 1.00 0.00 C ATOM 0 H VAL A 56 5.018 -4.969 6.523 1.00 0.00 H new ATOM 0 HA VAL A 56 3.822 -6.471 8.777 1.00 0.00 H new ATOM 0 HB VAL A 56 2.228 -5.055 6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.418 -5.381 8.430 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.146 -6.931 7.946 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.613 -6.171 9.486 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.665 -3.333 8.397 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.873 -4.045 9.492 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.390 -3.300 7.960 1.00 0.00 H new ATOM 818 N ILE A 57 4.161 -7.213 5.593 1.00 0.00 N ATOM 819 CA ILE A 57 4.272 -8.387 4.726 1.00 0.00 C ATOM 820 C ILE A 57 5.738 -8.551 4.332 1.00 0.00 C ATOM 821 O ILE A 57 6.510 -7.594 4.348 1.00 0.00 O ATOM 822 CB ILE A 57 3.296 -8.408 3.515 1.00 0.00 C ATOM 823 CG1 ILE A 57 3.741 -7.529 2.325 1.00 0.00 C ATOM 824 CG2 ILE A 57 1.860 -8.072 3.960 1.00 0.00 C ATOM 825 CD1 ILE A 57 3.030 -7.834 0.994 1.00 0.00 C ATOM 0 H ILE A 57 4.464 -6.341 5.159 1.00 0.00 H new ATOM 0 HA ILE A 57 3.944 -9.258 5.294 1.00 0.00 H new ATOM 0 HB ILE A 57 3.317 -9.430 3.136 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.570 -6.483 2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.815 -7.651 2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.197 -8.093 3.095 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.525 -8.806 4.692 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.841 -7.078 4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.408 -7.168 0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.221 -8.868 0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.957 -7.682 1.112 1.00 0.00 H new ATOM 837 N SER A 58 6.122 -9.783 4.051 1.00 0.00 N ATOM 838 CA SER A 58 7.408 -10.208 3.529 1.00 0.00 C ATOM 839 C SER A 58 7.259 -10.610 2.058 1.00 0.00 C ATOM 840 O SER A 58 6.154 -10.529 1.509 1.00 0.00 O ATOM 841 CB SER A 58 7.930 -11.352 4.394 1.00 0.00 C ATOM 842 OG SER A 58 8.148 -10.899 5.719 1.00 0.00 O ATOM 0 H SER A 58 5.494 -10.574 4.193 1.00 0.00 H new ATOM 0 HA SER A 58 8.133 -9.395 3.567 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.214 -12.174 4.395 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.859 -11.740 3.976 1.00 0.00 H new ATOM 0 HG SER A 58 8.481 -11.640 6.267 1.00 0.00 H new ATOM 848 N ASN A 59 8.375 -10.969 1.407 1.00 0.00 N ATOM 849 CA ASN A 59 8.451 -11.526 0.047 1.00 0.00 C ATOM 850 C ASN A 59 7.724 -12.880 0.099 1.00 0.00 C ATOM 851 O ASN A 59 8.333 -13.937 0.265 1.00 0.00 O ATOM 852 CB ASN A 59 9.931 -11.695 -0.361 1.00 0.00 C ATOM 853 CG ASN A 59 10.171 -12.505 -1.643 1.00 0.00 C ATOM 854 OD1 ASN A 59 9.267 -12.971 -2.328 1.00 0.00 O ATOM 855 ND2 ASN A 59 11.430 -12.732 -1.985 1.00 0.00 N ATOM 0 H ASN A 59 9.296 -10.874 1.836 1.00 0.00 H new ATOM 0 HA ASN A 59 7.988 -10.874 -0.693 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.371 -10.706 -0.489 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.464 -12.177 0.459 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.641 -13.290 -2.812 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.189 -12.348 -1.421 1.00 0.00 H new ATOM 862 N SER A 60 6.401 -12.824 0.163 1.00 0.00 N ATOM 863 CA SER A 60 5.465 -13.926 0.212 1.00 0.00 C ATOM 864 C SER A 60 4.164 -13.562 -0.515 1.00 0.00 C ATOM 865 O SER A 60 3.405 -14.464 -0.878 1.00 0.00 O ATOM 866 CB SER A 60 5.227 -14.274 1.687 1.00 0.00 C ATOM 867 OG SER A 60 4.723 -15.586 1.848 1.00 0.00 O ATOM 0 H SER A 60 5.919 -11.925 0.183 1.00 0.00 H new ATOM 0 HA SER A 60 5.868 -14.799 -0.301 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.162 -14.175 2.238 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.525 -13.561 2.119 1.00 0.00 H new ATOM 0 HG SER A 60 4.586 -15.769 2.801 1.00 0.00 H new ATOM 873 N GLY A 61 3.861 -12.267 -0.693 1.00 0.00 N ATOM 874 CA GLY A 61 2.597 -11.831 -1.269 1.00 0.00 C ATOM 875 C GLY A 61 1.468 -12.018 -0.254 1.00 0.00 C ATOM 876 O GLY A 61 1.703 -12.403 0.896 1.00 0.00 O ATOM 0 H GLY A 61 4.487 -11.503 -0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.664 -10.783 -1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.383 -12.402 -2.173 1.00 0.00 H new ATOM 880 N GLY A 62 0.227 -11.785 -0.672 1.00 0.00 N ATOM 881 CA GLY A 62 -0.961 -11.984 0.149 1.00 0.00 C ATOM 882 C GLY A 62 -1.913 -10.798 0.050 1.00 0.00 C ATOM 883 O GLY A 62 -1.686 -9.893 -0.759 1.00 0.00 O ATOM 0 H GLY A 62 0.016 -11.446 -1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.475 -12.892 -0.167 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.666 -12.130 1.188 1.00 0.00 H new ATOM 887 N PRO A 63 -3.019 -10.819 0.809 1.00 0.00 N ATOM 888 CA PRO A 63 -3.929 -9.690 0.893 1.00 0.00 C ATOM 889 C PRO A 63 -3.296 -8.571 1.719 1.00 0.00 C ATOM 890 O PRO A 63 -2.447 -8.828 2.578 1.00 0.00 O ATOM 891 CB PRO A 63 -5.199 -10.228 1.548 1.00 0.00 C ATOM 892 CG PRO A 63 -4.679 -11.367 2.416 1.00 0.00 C ATOM 893 CD PRO A 63 -3.500 -11.925 1.621 1.00 0.00 C ATOM 0 HA PRO A 63 -4.153 -9.264 -0.085 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.702 -9.465 2.142 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.917 -10.580 0.808 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.366 -11.011 3.398 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.444 -12.125 2.581 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.718 -12.293 2.285 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.809 -12.764 0.997 1.00 0.00 H new ATOM 901 N VAL A 64 -3.725 -7.338 1.466 1.00 0.00 N ATOM 902 CA VAL A 64 -3.247 -6.116 2.086 1.00 0.00 C ATOM 903 C VAL A 64 -4.427 -5.125 2.125 1.00 0.00 C ATOM 904 O VAL A 64 -5.358 -5.250 1.329 1.00 0.00 O ATOM 905 CB VAL A 64 -2.040 -5.564 1.284 1.00 0.00 C ATOM 906 CG1 VAL A 64 -1.212 -4.625 2.153 1.00 0.00 C ATOM 907 CG2 VAL A 64 -1.060 -6.594 0.687 1.00 0.00 C ATOM 0 H VAL A 64 -4.460 -7.160 0.781 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.897 -6.290 3.103 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.523 -5.072 0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.368 -4.245 1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.832 -3.791 2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.842 -5.166 3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.265 -6.073 0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.627 -7.192 1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.594 -7.246 -0.004 1.00 0.00 H new ATOM 917 N ARG A 65 -4.411 -4.114 3.000 1.00 0.00 N ATOM 918 CA ARG A 65 -5.493 -3.140 3.158 1.00 0.00 C ATOM 919 C ARG A 65 -4.929 -1.726 3.060 1.00 0.00 C ATOM 920 O ARG A 65 -4.231 -1.266 3.966 1.00 0.00 O ATOM 921 CB ARG A 65 -6.247 -3.431 4.463 1.00 0.00 C ATOM 922 CG ARG A 65 -7.477 -2.528 4.651 1.00 0.00 C ATOM 923 CD ARG A 65 -8.400 -3.061 5.755 1.00 0.00 C ATOM 924 NE ARG A 65 -7.706 -3.155 7.051 1.00 0.00 N ATOM 925 CZ ARG A 65 -8.280 -3.366 8.240 1.00 0.00 C ATOM 926 NH1 ARG A 65 -9.579 -3.616 8.362 1.00 0.00 N ATOM 927 NH2 ARG A 65 -7.544 -3.335 9.338 1.00 0.00 N ATOM 0 H ARG A 65 -3.627 -3.948 3.631 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.225 -3.226 2.355 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.563 -4.474 4.471 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.570 -3.297 5.307 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.154 -1.518 4.902 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.029 -2.463 3.713 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.265 -2.406 5.853 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.775 -4.044 5.472 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.692 -3.049 7.040 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.172 -3.652 7.533 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.984 -3.772 9.285 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.543 -3.151 9.276 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.978 -3.495 10.247 1.00 0.00 H new ATOM 941 N VAL A 66 -5.165 -1.062 1.932 1.00 0.00 N ATOM 942 CA VAL A 66 -4.701 0.295 1.653 1.00 0.00 C ATOM 943 C VAL A 66 -5.696 1.295 2.257 1.00 0.00 C ATOM 944 O VAL A 66 -6.910 1.145 2.093 1.00 0.00 O ATOM 945 CB VAL A 66 -4.562 0.482 0.124 1.00 0.00 C ATOM 946 CG1 VAL A 66 -4.006 1.866 -0.239 1.00 0.00 C ATOM 947 CG2 VAL A 66 -3.635 -0.582 -0.496 1.00 0.00 C ATOM 0 H VAL A 66 -5.701 -1.465 1.163 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.724 0.469 2.104 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.569 0.378 -0.279 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.925 1.953 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.677 2.638 0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.020 1.991 0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.562 -0.419 -1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.644 -0.506 -0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.043 -1.575 -0.307 1.00 0.00 H new ATOM 957 N TYR A 67 -5.178 2.344 2.901 1.00 0.00 N ATOM 958 CA TYR A 67 -5.915 3.427 3.541 1.00 0.00 C ATOM 959 C TYR A 67 -5.337 4.760 3.060 1.00 0.00 C ATOM 960 O TYR A 67 -4.144 5.013 3.225 1.00 0.00 O ATOM 961 CB TYR A 67 -5.791 3.287 5.073 1.00 0.00 C ATOM 962 CG TYR A 67 -6.635 2.224 5.770 1.00 0.00 C ATOM 963 CD1 TYR A 67 -7.818 1.723 5.189 1.00 0.00 C ATOM 964 CD2 TYR A 67 -6.277 1.795 7.064 1.00 0.00 C ATOM 965 CE1 TYR A 67 -8.659 0.854 5.898 1.00 0.00 C ATOM 966 CE2 TYR A 67 -7.108 0.910 7.781 1.00 0.00 C ATOM 967 CZ TYR A 67 -8.322 0.466 7.211 1.00 0.00 C ATOM 968 OH TYR A 67 -9.203 -0.271 7.939 1.00 0.00 O ATOM 0 H TYR A 67 -4.169 2.463 2.993 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.972 3.386 3.278 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.745 3.087 5.306 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.037 4.252 5.517 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.080 2.013 4.182 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.359 2.147 7.510 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.563 0.482 5.439 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.817 0.572 8.765 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.822 -0.458 8.822 1.00 0.00 H new ATOM 978 N SER A 68 -6.153 5.606 2.427 1.00 0.00 N ATOM 979 CA SER A 68 -5.709 6.913 1.946 1.00 0.00 C ATOM 980 C SER A 68 -5.262 7.806 3.103 1.00 0.00 C ATOM 981 O SER A 68 -5.620 7.592 4.266 1.00 0.00 O ATOM 982 CB SER A 68 -6.806 7.607 1.136 1.00 0.00 C ATOM 983 OG SER A 68 -7.973 7.809 1.911 1.00 0.00 O ATOM 0 H SER A 68 -7.134 5.405 2.235 1.00 0.00 H new ATOM 0 HA SER A 68 -4.853 6.744 1.292 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.439 8.567 0.772 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.049 7.005 0.260 1.00 0.00 H new ATOM 0 HG SER A 68 -8.335 6.942 2.189 1.00 0.00 H new ATOM 989 N LEU A 69 -4.484 8.827 2.769 1.00 0.00 N ATOM 990 CA LEU A 69 -3.929 9.817 3.679 1.00 0.00 C ATOM 991 C LEU A 69 -4.113 11.182 2.987 1.00 0.00 C ATOM 992 O LEU A 69 -4.290 11.199 1.760 1.00 0.00 O ATOM 993 CB LEU A 69 -2.481 9.350 3.922 1.00 0.00 C ATOM 994 CG LEU A 69 -1.788 9.872 5.188 1.00 0.00 C ATOM 995 CD1 LEU A 69 -0.901 8.767 5.774 1.00 0.00 C ATOM 996 CD2 LEU A 69 -0.933 11.099 4.864 1.00 0.00 C ATOM 0 H LEU A 69 -4.209 8.995 1.801 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.398 9.922 4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.477 8.261 3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.881 9.643 3.061 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.549 10.159 5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.408 9.135 6.673 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.515 7.902 6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.149 8.477 5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.449 11.456 5.773 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.173 10.830 4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.567 11.887 4.457 1.00 0.00 H new ATOM 1008 N PRO A 70 -4.162 12.327 3.693 1.00 0.00 N ATOM 1009 CA PRO A 70 -4.306 13.620 3.031 1.00 0.00 C ATOM 1010 C PRO A 70 -3.056 13.983 2.221 1.00 0.00 C ATOM 1011 O PRO A 70 -2.037 13.287 2.260 1.00 0.00 O ATOM 1012 CB PRO A 70 -4.589 14.620 4.154 1.00 0.00 C ATOM 1013 CG PRO A 70 -3.919 13.995 5.370 1.00 0.00 C ATOM 1014 CD PRO A 70 -4.170 12.510 5.139 1.00 0.00 C ATOM 0 HA PRO A 70 -5.115 13.615 2.300 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.174 15.603 3.929 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.659 14.754 4.311 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.855 14.227 5.414 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.361 14.343 6.304 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.398 11.904 5.614 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.124 12.203 5.567 1.00 0.00 H new ATOM 1022 N GLY A 71 -3.133 15.094 1.484 1.00 0.00 N ATOM 1023 CA GLY A 71 -1.995 15.641 0.767 1.00 0.00 C ATOM 1024 C GLY A 71 -0.852 15.861 1.754 1.00 0.00 C ATOM 1025 O GLY A 71 -1.040 16.480 2.806 1.00 0.00 O ATOM 0 H GLY A 71 -3.990 15.635 1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.684 14.959 -0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.267 16.582 0.289 1.00 0.00 H new ATOM 1029 N ARG A 72 0.335 15.361 1.415 1.00 0.00 N ATOM 1030 CA ARG A 72 1.550 15.443 2.214 1.00 0.00 C ATOM 1031 C ARG A 72 2.663 16.092 1.415 1.00 0.00 C ATOM 1032 O ARG A 72 2.551 16.299 0.205 1.00 0.00 O ATOM 1033 CB ARG A 72 1.923 14.049 2.751 1.00 0.00 C ATOM 1034 CG ARG A 72 1.153 13.637 4.010 1.00 0.00 C ATOM 1035 CD ARG A 72 1.865 14.155 5.271 1.00 0.00 C ATOM 1036 NE ARG A 72 1.356 13.520 6.495 1.00 0.00 N ATOM 1037 CZ ARG A 72 0.252 13.831 7.180 1.00 0.00 C ATOM 1038 NH1 ARG A 72 -0.463 14.920 6.909 1.00 0.00 N ATOM 1039 NH2 ARG A 72 -0.130 12.998 8.136 1.00 0.00 N ATOM 0 H ARG A 72 0.479 14.866 0.535 1.00 0.00 H new ATOM 0 HA ARG A 72 1.380 16.080 3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.743 13.310 1.970 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.991 14.029 2.968 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.139 14.034 3.969 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.069 12.551 4.053 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.935 13.968 5.185 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.735 15.235 5.342 1.00 0.00 H new ATOM 0 HE ARG A 72 1.912 12.750 6.866 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.173 15.547 6.158 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.301 15.128 7.452 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.413 12.156 8.326 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.967 13.199 8.683 1.00 0.00 H new ATOM 1053 N GLU A 73 3.707 16.482 2.124 1.00 0.00 N ATOM 1054 CA GLU A 73 4.868 17.224 1.681 1.00 0.00 C ATOM 1055 C GLU A 73 5.991 16.924 2.682 1.00 0.00 C ATOM 1056 O GLU A 73 5.787 16.129 3.602 1.00 0.00 O ATOM 1057 CB GLU A 73 4.536 18.728 1.629 1.00 0.00 C ATOM 1058 CG GLU A 73 4.179 19.356 2.989 1.00 0.00 C ATOM 1059 CD GLU A 73 2.717 19.173 3.399 1.00 0.00 C ATOM 1060 OE1 GLU A 73 1.909 20.074 3.075 1.00 0.00 O ATOM 1061 OE2 GLU A 73 2.376 18.207 4.120 1.00 0.00 O ATOM 0 H GLU A 73 3.766 16.265 3.119 1.00 0.00 H new ATOM 0 HA GLU A 73 5.178 16.933 0.677 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.391 19.261 1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.701 18.878 0.944 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.818 18.919 3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.405 20.422 2.955 1.00 0.00 H new ATOM 1068 N ASN A 74 7.153 17.567 2.525 1.00 0.00 N ATOM 1069 CA ASN A 74 8.287 17.509 3.458 1.00 0.00 C ATOM 1070 C ASN A 74 8.620 16.070 3.876 1.00 0.00 C ATOM 1071 O ASN A 74 8.790 15.774 5.060 1.00 0.00 O ATOM 1072 CB ASN A 74 8.025 18.424 4.677 1.00 0.00 C ATOM 1073 CG ASN A 74 7.559 19.831 4.313 1.00 0.00 C ATOM 1074 OD1 ASN A 74 7.894 20.365 3.257 1.00 0.00 O ATOM 1075 ND2 ASN A 74 6.727 20.442 5.141 1.00 0.00 N ATOM 0 H ASN A 74 7.338 18.163 1.718 1.00 0.00 H new ATOM 0 HA ASN A 74 9.170 17.882 2.939 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.273 17.957 5.313 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.939 18.497 5.266 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.358 21.363 4.906 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.455 19.992 6.015 1.00 0.00 H new ATOM 1082 N TYR A 75 8.669 15.167 2.894 1.00 0.00 N ATOM 1083 CA TYR A 75 8.857 13.737 3.111 1.00 0.00 C ATOM 1084 C TYR A 75 10.314 13.457 3.503 1.00 0.00 C ATOM 1085 O TYR A 75 11.160 14.355 3.515 1.00 0.00 O ATOM 1086 CB TYR A 75 8.495 12.973 1.830 1.00 0.00 C ATOM 1087 CG TYR A 75 7.069 13.108 1.332 1.00 0.00 C ATOM 1088 CD1 TYR A 75 6.694 14.217 0.549 1.00 0.00 C ATOM 1089 CD2 TYR A 75 6.152 12.060 1.542 1.00 0.00 C ATOM 1090 CE1 TYR A 75 5.412 14.280 -0.022 1.00 0.00 C ATOM 1091 CE2 TYR A 75 4.878 12.113 0.953 1.00 0.00 C ATOM 1092 CZ TYR A 75 4.499 13.225 0.176 1.00 0.00 C ATOM 1093 OH TYR A 75 3.279 13.282 -0.417 1.00 0.00 O ATOM 0 H TYR A 75 8.577 15.417 1.909 1.00 0.00 H new ATOM 0 HA TYR A 75 8.207 13.403 3.920 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.165 13.304 1.036 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.698 11.915 1.997 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.395 15.022 0.387 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.428 11.216 2.156 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.126 15.137 -0.613 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.185 11.297 1.097 1.00 0.00 H new ATOM 0 HH TYR A 75 2.771 12.473 -0.198 1.00 0.00 H new ATOM 1103 N SER A 76 10.632 12.202 3.805 1.00 0.00 N ATOM 1104 CA SER A 76 11.952 11.762 4.235 1.00 0.00 C ATOM 1105 C SER A 76 12.247 10.392 3.613 1.00 0.00 C ATOM 1106 O SER A 76 11.417 9.870 2.862 1.00 0.00 O ATOM 1107 CB SER A 76 11.992 11.762 5.771 1.00 0.00 C ATOM 1108 OG SER A 76 11.598 13.035 6.266 1.00 0.00 O ATOM 0 H SER A 76 9.956 11.440 3.755 1.00 0.00 H new ATOM 0 HA SER A 76 12.737 12.437 3.894 1.00 0.00 H new ATOM 0 HB2 SER A 76 11.329 10.990 6.161 1.00 0.00 H new ATOM 0 HB3 SER A 76 12.998 11.523 6.117 1.00 0.00 H new ATOM 0 HG SER A 76 11.624 13.028 7.246 1.00 0.00 H new ATOM 1114 N SER A 77 13.429 9.842 3.892 1.00 0.00 N ATOM 1115 CA SER A 77 13.918 8.603 3.310 1.00 0.00 C ATOM 1116 C SER A 77 14.279 7.660 4.456 1.00 0.00 C ATOM 1117 O SER A 77 15.008 8.077 5.358 1.00 0.00 O ATOM 1118 CB SER A 77 15.141 8.891 2.424 1.00 0.00 C ATOM 1119 OG SER A 77 14.933 9.982 1.528 1.00 0.00 O ATOM 0 H SER A 77 14.087 10.262 4.548 1.00 0.00 H new ATOM 0 HA SER A 77 13.157 8.141 2.681 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.000 9.107 3.059 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.386 7.997 1.850 1.00 0.00 H new ATOM 0 HG SER A 77 15.741 10.123 0.991 1.00 0.00 H new ATOM 1125 N VAL A 78 13.731 6.442 4.470 1.00 0.00 N ATOM 1126 CA VAL A 78 13.921 5.454 5.536 1.00 0.00 C ATOM 1127 C VAL A 78 13.884 4.059 4.892 1.00 0.00 C ATOM 1128 O VAL A 78 13.262 3.885 3.838 1.00 0.00 O ATOM 1129 CB VAL A 78 12.826 5.603 6.631 1.00 0.00 C ATOM 1130 CG1 VAL A 78 13.212 4.867 7.924 1.00 0.00 C ATOM 1131 CG2 VAL A 78 12.505 7.056 7.032 1.00 0.00 C ATOM 0 H VAL A 78 13.127 6.107 3.720 1.00 0.00 H new ATOM 0 HA VAL A 78 14.880 5.608 6.031 1.00 0.00 H new ATOM 0 HB VAL A 78 11.944 5.168 6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.423 4.994 8.665 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.344 3.806 7.713 1.00 0.00 H new ATOM 0 HG13 VAL A 78 14.144 5.278 8.312 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.731 7.059 7.800 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.404 7.533 7.421 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.152 7.605 6.159 1.00 0.00 H new ATOM 1141 N ASP A 79 14.467 3.049 5.540 1.00 0.00 N ATOM 1142 CA ASP A 79 14.519 1.662 5.068 1.00 0.00 C ATOM 1143 C ASP A 79 13.741 0.747 6.011 1.00 0.00 C ATOM 1144 O ASP A 79 13.602 1.054 7.202 1.00 0.00 O ATOM 1145 CB ASP A 79 15.954 1.133 4.948 1.00 0.00 C ATOM 1146 CG ASP A 79 15.989 -0.064 3.984 1.00 0.00 C ATOM 1147 OD1 ASP A 79 15.615 -1.188 4.401 1.00 0.00 O ATOM 1148 OD2 ASP A 79 16.347 0.186 2.811 1.00 0.00 O ATOM 0 H ASP A 79 14.932 3.177 6.439 1.00 0.00 H new ATOM 0 HA ASP A 79 14.069 1.660 4.075 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.613 1.922 4.586 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.324 0.833 5.928 1.00 0.00 H new ATOM 1153 N ALA A 80 13.123 -0.296 5.466 1.00 0.00 N ATOM 1154 CA ALA A 80 12.455 -1.353 6.202 1.00 0.00 C ATOM 1155 C ALA A 80 12.455 -2.584 5.303 1.00 0.00 C ATOM 1156 O ALA A 80 12.086 -2.480 4.138 1.00 0.00 O ATOM 1157 CB ALA A 80 11.024 -0.954 6.546 1.00 0.00 C ATOM 0 H ALA A 80 13.074 -0.429 4.456 1.00 0.00 H new ATOM 0 HA ALA A 80 12.971 -1.550 7.142 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.544 -1.762 7.098 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.035 -0.053 7.159 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.469 -0.762 5.628 1.00 0.00 H new ATOM 1163 N ASN A 81 12.803 -3.757 5.841 1.00 0.00 N ATOM 1164 CA ASN A 81 12.901 -5.030 5.111 1.00 0.00 C ATOM 1165 C ASN A 81 13.810 -4.967 3.864 1.00 0.00 C ATOM 1166 O ASN A 81 13.696 -5.835 2.994 1.00 0.00 O ATOM 1167 CB ASN A 81 11.484 -5.556 4.759 1.00 0.00 C ATOM 1168 CG ASN A 81 10.780 -6.279 5.895 1.00 0.00 C ATOM 1169 OD1 ASN A 81 11.353 -7.159 6.532 1.00 0.00 O ATOM 1170 ND2 ASN A 81 9.516 -5.980 6.146 1.00 0.00 N ATOM 0 H ASN A 81 13.033 -3.852 6.830 1.00 0.00 H new ATOM 0 HA ASN A 81 13.389 -5.737 5.782 1.00 0.00 H new ATOM 0 HB2 ASN A 81 10.867 -4.715 4.442 1.00 0.00 H new ATOM 0 HB3 ASN A 81 11.562 -6.232 3.908 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.008 -6.482 6.874 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.049 -5.247 5.611 1.00 0.00 H new ATOM 1177 N GLY A 82 14.766 -4.032 3.783 1.00 0.00 N ATOM 1178 CA GLY A 82 15.591 -3.861 2.589 1.00 0.00 C ATOM 1179 C GLY A 82 14.830 -3.156 1.465 1.00 0.00 C ATOM 1180 O GLY A 82 15.204 -3.269 0.295 1.00 0.00 O ATOM 0 H GLY A 82 14.985 -3.381 4.537 1.00 0.00 H new ATOM 0 HA2 GLY A 82 16.481 -3.284 2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.932 -4.836 2.241 1.00 0.00 H new ATOM 1184 N ILE A 83 13.735 -2.471 1.792 1.00 0.00 N ATOM 1185 CA ILE A 83 12.959 -1.644 0.893 1.00 0.00 C ATOM 1186 C ILE A 83 13.348 -0.221 1.270 1.00 0.00 C ATOM 1187 O ILE A 83 13.226 0.157 2.437 1.00 0.00 O ATOM 1188 CB ILE A 83 11.441 -1.855 1.097 1.00 0.00 C ATOM 1189 CG1 ILE A 83 10.960 -3.321 1.130 1.00 0.00 C ATOM 1190 CG2 ILE A 83 10.681 -1.062 0.025 1.00 0.00 C ATOM 1191 CD1 ILE A 83 11.074 -4.057 -0.193 1.00 0.00 C ATOM 0 H ILE A 83 13.354 -2.484 2.738 1.00 0.00 H new ATOM 0 HA ILE A 83 13.158 -1.881 -0.152 1.00 0.00 H new ATOM 0 HB ILE A 83 11.224 -1.487 2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 83 11.536 -3.861 1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 83 9.919 -3.340 1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 83 9.609 -1.204 0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 83 10.921 -0.003 0.117 1.00 0.00 H new ATOM 0 HG23 ILE A 83 10.972 -1.415 -0.964 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.713 -5.079 -0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 83 10.474 -3.546 -0.946 1.00 0.00 H new ATOM 0 HD13 ILE A 83 12.117 -4.075 -0.511 1.00 0.00 H new ATOM 1203 N GLN A 84 13.742 0.585 0.289 1.00 0.00 N ATOM 1204 CA GLN A 84 14.183 1.947 0.524 1.00 0.00 C ATOM 1205 C GLN A 84 13.056 2.883 0.102 1.00 0.00 C ATOM 1206 O GLN A 84 12.555 2.794 -1.023 1.00 0.00 O ATOM 1207 CB GLN A 84 15.482 2.185 -0.263 1.00 0.00 C ATOM 1208 CG GLN A 84 16.105 3.575 -0.048 1.00 0.00 C ATOM 1209 CD GLN A 84 16.505 3.907 1.394 1.00 0.00 C ATOM 1210 OE1 GLN A 84 16.565 5.073 1.766 1.00 0.00 O ATOM 1211 NE2 GLN A 84 16.809 2.937 2.240 1.00 0.00 N ATOM 0 H GLN A 84 13.763 0.307 -0.692 1.00 0.00 H new ATOM 0 HA GLN A 84 14.402 2.135 1.575 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.210 1.425 0.021 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.279 2.051 -1.326 1.00 0.00 H new ATOM 0 HG2 GLN A 84 16.990 3.658 -0.680 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.396 4.328 -0.392 1.00 0.00 H new ATOM 0 HE21 GLN A 84 16.762 1.964 1.938 1.00 0.00 H new ATOM 0 HE22 GLN A 84 17.091 3.162 3.194 1.00 0.00 H new ATOM 1220 N SER A 85 12.642 3.760 1.015 1.00 0.00 N ATOM 1221 CA SER A 85 11.673 4.809 0.745 1.00 0.00 C ATOM 1222 C SER A 85 12.447 6.121 0.637 1.00 0.00 C ATOM 1223 O SER A 85 13.445 6.283 1.338 1.00 0.00 O ATOM 1224 CB SER A 85 10.575 4.843 1.812 1.00 0.00 C ATOM 1225 OG SER A 85 11.066 5.216 3.082 1.00 0.00 O ATOM 0 H SER A 85 12.979 3.758 1.978 1.00 0.00 H new ATOM 0 HA SER A 85 11.146 4.625 -0.191 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.798 5.544 1.507 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.109 3.860 1.881 1.00 0.00 H new ATOM 0 HG SER A 85 11.752 4.578 3.368 1.00 0.00 H new ATOM 1231 N GLN A 86 12.012 7.047 -0.219 1.00 0.00 N ATOM 1232 CA GLN A 86 12.702 8.314 -0.456 1.00 0.00 C ATOM 1233 C GLN A 86 11.733 9.498 -0.423 1.00 0.00 C ATOM 1234 O GLN A 86 10.539 9.323 -0.659 1.00 0.00 O ATOM 1235 CB GLN A 86 13.478 8.222 -1.779 1.00 0.00 C ATOM 1236 CG GLN A 86 12.552 8.197 -3.004 1.00 0.00 C ATOM 1237 CD GLN A 86 13.110 7.333 -4.125 1.00 0.00 C ATOM 1238 OE1 GLN A 86 13.856 7.800 -4.981 1.00 0.00 O ATOM 1239 NE2 GLN A 86 12.757 6.058 -4.153 1.00 0.00 N ATOM 0 H GLN A 86 11.162 6.936 -0.772 1.00 0.00 H new ATOM 0 HA GLN A 86 13.415 8.495 0.348 1.00 0.00 H new ATOM 0 HB2 GLN A 86 14.157 9.071 -1.858 1.00 0.00 H new ATOM 0 HB3 GLN A 86 14.093 7.322 -1.774 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.572 7.820 -2.710 1.00 0.00 H new ATOM 0 HG3 GLN A 86 12.406 9.214 -3.369 1.00 0.00 H new ATOM 0 HE21 GLN A 86 12.136 5.685 -3.435 1.00 0.00 H new ATOM 0 HE22 GLN A 86 13.105 5.448 -4.893 1.00 0.00 H new ATOM 1248 N MET A 87 12.233 10.700 -0.136 1.00 0.00 N ATOM 1249 CA MET A 87 11.426 11.918 -0.122 1.00 0.00 C ATOM 1250 C MET A 87 10.768 12.234 -1.484 1.00 0.00 C ATOM 1251 O MET A 87 11.119 11.649 -2.509 1.00 0.00 O ATOM 1252 CB MET A 87 12.255 13.087 0.445 1.00 0.00 C ATOM 1253 CG MET A 87 13.611 13.358 -0.227 1.00 0.00 C ATOM 1254 SD MET A 87 13.565 13.951 -1.941 1.00 0.00 S ATOM 1255 CE MET A 87 14.199 12.494 -2.820 1.00 0.00 C ATOM 0 H MET A 87 13.214 10.856 0.094 1.00 0.00 H new ATOM 0 HA MET A 87 10.579 11.753 0.545 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.654 13.994 0.379 1.00 0.00 H new ATOM 0 HB3 MET A 87 12.431 12.898 1.504 1.00 0.00 H new ATOM 0 HG2 MET A 87 14.148 14.093 0.373 1.00 0.00 H new ATOM 0 HG3 MET A 87 14.194 12.437 -0.201 1.00 0.00 H new ATOM 0 HE1 MET A 87 14.018 12.607 -3.889 1.00 0.00 H new ATOM 0 HE2 MET A 87 15.270 12.399 -2.641 1.00 0.00 H new ATOM 0 HE3 MET A 87 13.690 11.601 -2.458 1.00 0.00 H new ATOM 1265 N LEU A 88 9.812 13.176 -1.502 1.00 0.00 N ATOM 1266 CA LEU A 88 9.137 13.685 -2.698 1.00 0.00 C ATOM 1267 C LEU A 88 8.824 15.169 -2.533 1.00 0.00 C ATOM 1268 O LEU A 88 8.945 15.741 -1.446 1.00 0.00 O ATOM 1269 CB LEU A 88 7.779 13.027 -2.999 1.00 0.00 C ATOM 1270 CG LEU A 88 7.698 11.502 -2.906 1.00 0.00 C ATOM 1271 CD1 LEU A 88 7.113 11.121 -1.549 1.00 0.00 C ATOM 1272 CD2 LEU A 88 6.804 10.988 -4.030 1.00 0.00 C ATOM 0 H LEU A 88 9.477 13.620 -0.647 1.00 0.00 H new ATOM 0 HA LEU A 88 9.833 13.466 -3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.043 13.446 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.479 13.319 -4.005 1.00 0.00 H new ATOM 0 HG LEU A 88 8.689 11.059 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.051 10.036 -1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.754 11.505 -0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.116 11.550 -1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.738 9.901 -3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.807 11.418 -3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.227 11.277 -4.992 1.00 0.00 H new ATOM 1284 N SER A 89 8.261 15.734 -3.595 1.00 0.00 N ATOM 1285 CA SER A 89 7.778 17.086 -3.737 1.00 0.00 C ATOM 1286 C SER A 89 6.242 17.159 -3.755 1.00 0.00 C ATOM 1287 O SER A 89 5.625 17.126 -4.823 1.00 0.00 O ATOM 1288 CB SER A 89 8.417 17.666 -5.011 1.00 0.00 C ATOM 1289 OG SER A 89 8.476 16.680 -6.035 1.00 0.00 O ATOM 0 H SER A 89 8.122 15.200 -4.453 1.00 0.00 H new ATOM 0 HA SER A 89 8.068 17.684 -2.873 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.839 18.523 -5.357 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.421 18.028 -4.789 1.00 0.00 H new ATOM 0 HG SER A 89 8.883 17.066 -6.838 1.00 0.00 H new ATOM 1295 N ARG A 90 5.605 17.196 -2.573 1.00 0.00 N ATOM 1296 CA ARG A 90 4.150 17.420 -2.457 1.00 0.00 C ATOM 1297 C ARG A 90 3.265 16.425 -3.223 1.00 0.00 C ATOM 1298 O ARG A 90 2.633 16.807 -4.213 1.00 0.00 O ATOM 1299 CB ARG A 90 3.852 18.900 -2.771 1.00 0.00 C ATOM 1300 CG ARG A 90 2.377 19.347 -2.639 1.00 0.00 C ATOM 1301 CD ARG A 90 1.905 20.183 -3.840 1.00 0.00 C ATOM 1302 NE ARG A 90 2.062 19.447 -5.104 1.00 0.00 N ATOM 1303 CZ ARG A 90 2.324 19.979 -6.303 1.00 0.00 C ATOM 1304 NH1 ARG A 90 2.130 21.272 -6.536 1.00 0.00 N ATOM 1305 NH2 ARG A 90 2.809 19.200 -7.262 1.00 0.00 N ATOM 0 H ARG A 90 6.077 17.073 -1.677 1.00 0.00 H new ATOM 0 HA ARG A 90 3.865 17.208 -1.426 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.457 19.519 -2.108 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.182 19.107 -3.789 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.741 18.467 -2.541 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.258 19.930 -1.726 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.859 20.457 -3.705 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.475 21.111 -3.885 1.00 0.00 H new ATOM 0 HE ARG A 90 1.961 18.433 -5.062 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.776 21.876 -5.795 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.335 21.661 -7.456 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.977 18.211 -7.079 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.014 19.591 -8.182 1.00 0.00 H new ATOM 1319 N TRP A 91 3.296 15.134 -2.903 1.00 0.00 N ATOM 1320 CA TRP A 91 2.531 14.164 -3.680 1.00 0.00 C ATOM 1321 C TRP A 91 1.087 14.148 -3.182 1.00 0.00 C ATOM 1322 O TRP A 91 0.756 13.624 -2.113 1.00 0.00 O ATOM 1323 CB TRP A 91 3.157 12.769 -3.635 1.00 0.00 C ATOM 1324 CG TRP A 91 3.155 12.097 -4.970 1.00 0.00 C ATOM 1325 CD1 TRP A 91 2.202 11.279 -5.469 1.00 0.00 C ATOM 1326 CD2 TRP A 91 4.163 12.203 -6.011 1.00 0.00 C ATOM 1327 NE1 TRP A 91 2.581 10.836 -6.721 1.00 0.00 N ATOM 1328 CE2 TRP A 91 3.816 11.333 -7.083 1.00 0.00 C ATOM 1329 CE3 TRP A 91 5.358 12.935 -6.130 1.00 0.00 C ATOM 1330 CZ2 TRP A 91 4.659 11.146 -8.189 1.00 0.00 C ATOM 1331 CZ3 TRP A 91 6.239 12.708 -7.197 1.00 0.00 C ATOM 1332 CH2 TRP A 91 5.901 11.806 -8.223 1.00 0.00 C ATOM 0 H TRP A 91 3.830 14.741 -2.128 1.00 0.00 H new ATOM 0 HA TRP A 91 2.545 14.468 -4.727 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.182 12.846 -3.272 1.00 0.00 H new ATOM 0 HB3 TRP A 91 2.611 12.152 -2.921 1.00 0.00 H new ATOM 0 HD1 TRP A 91 1.284 11.012 -4.966 1.00 0.00 H new ATOM 0 HE1 TRP A 91 2.018 10.218 -7.305 1.00 0.00 H new ATOM 0 HE3 TRP A 91 5.601 13.682 -5.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 4.358 10.504 -9.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 7.184 13.229 -7.232 1.00 0.00 H new ATOM 0 HH2 TRP A 91 6.592 11.621 -9.033 1.00 0.00 H new ATOM 1343 N SER A 92 0.204 14.719 -3.996 1.00 0.00 N ATOM 1344 CA SER A 92 -1.211 14.938 -3.720 1.00 0.00 C ATOM 1345 C SER A 92 -2.038 13.653 -3.912 1.00 0.00 C ATOM 1346 O SER A 92 -3.209 13.695 -4.295 1.00 0.00 O ATOM 1347 CB SER A 92 -1.659 16.042 -4.691 1.00 0.00 C ATOM 1348 OG SER A 92 -0.751 17.135 -4.616 1.00 0.00 O ATOM 0 H SER A 92 0.473 15.061 -4.919 1.00 0.00 H new ATOM 0 HA SER A 92 -1.367 15.230 -2.682 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.695 15.654 -5.709 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.667 16.374 -4.441 1.00 0.00 H new ATOM 0 HG SER A 92 -1.035 17.839 -5.236 1.00 0.00 H new ATOM 1354 N ALA A 93 -1.430 12.510 -3.609 1.00 0.00 N ATOM 1355 CA ALA A 93 -1.979 11.174 -3.581 1.00 0.00 C ATOM 1356 C ALA A 93 -0.995 10.404 -2.707 1.00 0.00 C ATOM 1357 O ALA A 93 0.080 10.024 -3.175 1.00 0.00 O ATOM 1358 CB ALA A 93 -2.069 10.597 -4.999 1.00 0.00 C ATOM 0 H ALA A 93 -0.443 12.505 -3.353 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.996 11.128 -3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.485 9.590 -4.956 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.713 11.230 -5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.073 10.560 -5.441 1.00 0.00 H new ATOM 1364 N SER A 94 -1.295 10.284 -1.419 1.00 0.00 N ATOM 1365 CA SER A 94 -0.494 9.522 -0.478 1.00 0.00 C ATOM 1366 C SER A 94 -1.428 8.571 0.270 1.00 0.00 C ATOM 1367 O SER A 94 -2.652 8.745 0.245 1.00 0.00 O ATOM 1368 CB SER A 94 0.263 10.469 0.465 1.00 0.00 C ATOM 1369 OG SER A 94 1.143 11.355 -0.222 1.00 0.00 O ATOM 0 H SER A 94 -2.114 10.721 -0.996 1.00 0.00 H new ATOM 0 HA SER A 94 0.265 8.934 -0.994 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.457 11.053 1.038 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.836 9.879 1.180 1.00 0.00 H new ATOM 0 HG SER A 94 0.620 11.970 -0.778 1.00 0.00 H new ATOM 1375 N PHE A 95 -0.870 7.545 0.901 1.00 0.00 N ATOM 1376 CA PHE A 95 -1.615 6.527 1.614 1.00 0.00 C ATOM 1377 C PHE A 95 -0.731 5.891 2.672 1.00 0.00 C ATOM 1378 O PHE A 95 0.449 6.212 2.789 1.00 0.00 O ATOM 1379 CB PHE A 95 -2.102 5.452 0.613 1.00 0.00 C ATOM 1380 CG PHE A 95 -1.017 4.582 -0.017 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -0.332 5.014 -1.169 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -0.705 3.320 0.528 1.00 0.00 C ATOM 1383 CE1 PHE A 95 0.649 4.201 -1.766 1.00 0.00 C ATOM 1384 CE2 PHE A 95 0.262 2.497 -0.079 1.00 0.00 C ATOM 1385 CZ PHE A 95 0.940 2.937 -1.229 1.00 0.00 C ATOM 0 H PHE A 95 0.139 7.399 0.929 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.478 6.981 2.102 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.810 4.801 1.126 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.650 5.951 -0.187 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.562 5.978 -1.598 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.212 2.982 1.419 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.179 4.550 -2.640 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.483 1.526 0.339 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.681 2.306 -1.697 1.00 0.00 H new ATOM 1395 N THR A 96 -1.315 5.005 3.460 1.00 0.00 N ATOM 1396 CA THR A 96 -0.637 4.181 4.430 1.00 0.00 C ATOM 1397 C THR A 96 -1.297 2.811 4.273 1.00 0.00 C ATOM 1398 O THR A 96 -2.460 2.695 3.875 1.00 0.00 O ATOM 1399 CB THR A 96 -0.672 4.790 5.838 1.00 0.00 C ATOM 1400 OG1 THR A 96 0.326 4.163 6.617 1.00 0.00 O ATOM 1401 CG2 THR A 96 -2.048 4.697 6.506 1.00 0.00 C ATOM 0 H THR A 96 -2.321 4.837 3.435 1.00 0.00 H new ATOM 0 HA THR A 96 0.437 4.097 4.265 1.00 0.00 H new ATOM 0 HB THR A 96 -0.472 5.858 5.755 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.210 4.461 6.317 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.002 5.146 7.498 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.783 5.228 5.901 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.339 3.650 6.595 1.00 0.00 H new ATOM 1409 N VAL A 97 -0.517 1.756 4.442 1.00 0.00 N ATOM 1410 CA VAL A 97 -0.982 0.394 4.269 1.00 0.00 C ATOM 1411 C VAL A 97 -1.121 -0.276 5.637 1.00 0.00 C ATOM 1412 O VAL A 97 -0.441 0.110 6.591 1.00 0.00 O ATOM 1413 CB VAL A 97 -0.092 -0.266 3.208 1.00 0.00 C ATOM 1414 CG1 VAL A 97 1.389 -0.311 3.574 1.00 0.00 C ATOM 1415 CG2 VAL A 97 -0.565 -1.652 2.827 1.00 0.00 C ATOM 0 H VAL A 97 0.466 1.824 4.706 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.991 0.305 3.868 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.191 0.390 2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.948 -0.793 2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.760 0.704 3.716 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.519 -0.877 4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.102 -2.070 2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.563 -2.293 3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.576 -1.593 2.424 1.00 0.00 H new ATOM 1425 N THR A 98 -2.009 -1.263 5.720 1.00 0.00 N ATOM 1426 CA THR A 98 -2.349 -2.069 6.882 1.00 0.00 C ATOM 1427 C THR A 98 -2.736 -3.471 6.373 1.00 0.00 C ATOM 1428 O THR A 98 -2.627 -3.750 5.174 1.00 0.00 O ATOM 1429 CB THR A 98 -3.532 -1.407 7.633 1.00 0.00 C ATOM 1430 OG1 THR A 98 -4.689 -1.318 6.818 1.00 0.00 O ATOM 1431 CG2 THR A 98 -3.222 -0.009 8.178 1.00 0.00 C ATOM 0 H THR A 98 -2.554 -1.541 4.904 1.00 0.00 H new ATOM 0 HA THR A 98 -1.511 -2.146 7.574 1.00 0.00 H new ATOM 0 HB THR A 98 -3.712 -2.068 8.481 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.425 -1.322 5.874 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.100 0.385 8.690 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.390 -0.068 8.879 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.955 0.652 7.353 1.00 0.00 H new ATOM 1439 N LEU A 99 -3.179 -4.357 7.263 1.00 0.00 N ATOM 1440 CA LEU A 99 -3.722 -5.674 6.948 1.00 0.00 C ATOM 1441 C LEU A 99 -5.106 -5.752 7.580 1.00 0.00 C ATOM 1442 O LEU A 99 -5.424 -4.981 8.490 1.00 0.00 O ATOM 1443 CB LEU A 99 -2.872 -6.820 7.519 1.00 0.00 C ATOM 1444 CG LEU A 99 -1.566 -7.132 6.777 1.00 0.00 C ATOM 1445 CD1 LEU A 99 -0.982 -8.435 7.333 1.00 0.00 C ATOM 1446 CD2 LEU A 99 -1.739 -7.274 5.270 1.00 0.00 C ATOM 0 H LEU A 99 -3.168 -4.167 8.265 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.740 -5.788 5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.629 -6.583 8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.481 -7.724 7.534 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.899 -6.286 6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.053 -8.668 6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.783 -8.319 8.398 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.695 -9.246 7.183 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.775 -7.494 4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.435 -8.086 5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.132 -6.344 4.860 1.00 0.00 H new ATOM 1458 N GLU A 100 -5.941 -6.638 7.041 1.00 0.00 N ATOM 1459 CA GLU A 100 -7.251 -6.970 7.583 1.00 0.00 C ATOM 1460 C GLU A 100 -7.040 -8.221 8.411 1.00 0.00 C ATOM 1461 O GLU A 100 -7.183 -8.147 9.648 1.00 0.00 O ATOM 1462 CB GLU A 100 -8.303 -7.162 6.479 1.00 0.00 C ATOM 1463 CG GLU A 100 -9.668 -7.576 7.055 1.00 0.00 C ATOM 1464 CD GLU A 100 -10.827 -6.723 6.531 1.00 0.00 C ATOM 1465 OE1 GLU A 100 -11.005 -5.590 7.041 1.00 0.00 O ATOM 1466 OE2 GLU A 100 -11.612 -7.226 5.690 1.00 0.00 O ATOM 1467 OXT GLU A 100 -6.642 -9.248 7.813 1.00 0.00 O ATOM 0 H GLU A 100 -5.716 -7.157 6.192 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.649 -6.159 8.193 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.412 -6.235 5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -7.959 -7.922 5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -9.856 -8.622 6.812 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -9.634 -7.503 8.142 1.00 0.00 H new TER 1474 GLU A 100