USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 614 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 29 GLN : amide:sc= 1.7 K(o=3.9,f=-6.1!) USER MOD Set 1.2: A 75 LYS NZ :NH3+ -171:sc= 2.19 (180deg=0.934) USER MOD Set 2.1: A 37 ASN : amide:sc= 1 K(o=1,f=-0.0032) USER MOD Set 2.2: A 59 ASN : amide:sc=-0.00426 X(o=1,f=0.98) USER MOD Single : A 1 SER N :NH3+ -104:sc= 0.0745 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl -170:sc= 0 (180deg=-0.0522) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 67:sc= 0.564 USER MOD Single : A 22 ASN : amide:sc= 0.437 K(o=0.44,f=-3.4!) USER MOD Single : A 23 HIS : no HD1:sc= -0.14 K(o=-0.14,f=-4.1!) USER MOD Single : A 33 TYR OH : rot -168:sc= 0.424 USER MOD Single : A 35 THR OG1 : rot -68:sc= 0.409 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -39:sc= -1.51 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.18) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.269 -1.304 -14.477 1.00 0.00 N ATOM 2 CA SER A 1 -10.845 -0.800 -13.207 1.00 0.00 C ATOM 3 C SER A 1 -10.402 0.637 -12.927 1.00 0.00 C ATOM 4 O SER A 1 -9.432 1.128 -13.514 1.00 0.00 O ATOM 5 CB SER A 1 -10.475 -1.722 -12.036 1.00 0.00 C ATOM 6 OG SER A 1 -9.073 -1.931 -11.994 1.00 0.00 O ATOM 0 H1 SER A 1 -11.002 -1.304 -15.215 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.483 -0.689 -14.770 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.918 -2.273 -14.338 1.00 0.00 H new ATOM 0 HA SER A 1 -11.930 -0.799 -13.312 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.811 -1.281 -11.098 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.988 -2.678 -12.141 1.00 0.00 H new ATOM 0 HG SER A 1 -8.852 -2.519 -11.242 1.00 0.00 H new ATOM 14 N MET A 2 -11.122 1.347 -12.050 1.00 0.00 N ATOM 15 CA MET A 2 -10.828 2.742 -11.681 1.00 0.00 C ATOM 16 C MET A 2 -9.526 2.889 -10.870 1.00 0.00 C ATOM 17 O MET A 2 -9.152 1.998 -10.103 1.00 0.00 O ATOM 18 CB MET A 2 -12.040 3.367 -10.964 1.00 0.00 C ATOM 19 CG MET A 2 -12.450 2.652 -9.665 1.00 0.00 C ATOM 20 SD MET A 2 -13.665 1.311 -9.852 1.00 0.00 S ATOM 21 CE MET A 2 -15.171 2.262 -10.211 1.00 0.00 C ATOM 0 H MET A 2 -11.937 0.966 -11.569 1.00 0.00 H new ATOM 0 HA MET A 2 -10.652 3.297 -12.603 1.00 0.00 H new ATOM 0 HB2 MET A 2 -11.814 4.408 -10.735 1.00 0.00 H new ATOM 0 HB3 MET A 2 -12.889 3.368 -11.647 1.00 0.00 H new ATOM 0 HG2 MET A 2 -11.554 2.243 -9.199 1.00 0.00 H new ATOM 0 HG3 MET A 2 -12.857 3.393 -8.977 1.00 0.00 H new ATOM 0 HE1 MET A 2 -16.036 1.600 -10.176 1.00 0.00 H new ATOM 0 HE2 MET A 2 -15.288 3.052 -9.469 1.00 0.00 H new ATOM 0 HE3 MET A 2 -15.093 2.705 -11.204 1.00 0.00 H new ATOM 31 N ALA A 3 -8.843 4.029 -11.040 1.00 0.00 N ATOM 32 CA ALA A 3 -7.578 4.391 -10.382 1.00 0.00 C ATOM 33 C ALA A 3 -6.421 3.368 -10.535 1.00 0.00 C ATOM 34 O ALA A 3 -5.487 3.354 -9.729 1.00 0.00 O ATOM 35 CB ALA A 3 -7.866 4.811 -8.930 1.00 0.00 C ATOM 0 H ALA A 3 -9.173 4.760 -11.670 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.170 5.247 -10.920 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.932 5.080 -8.437 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.539 5.668 -8.926 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -8.331 3.982 -8.397 1.00 0.00 H new ATOM 41 N ASP A 4 -6.455 2.520 -11.570 1.00 0.00 N ATOM 42 CA ASP A 4 -5.437 1.496 -11.851 1.00 0.00 C ATOM 43 C ASP A 4 -4.146 2.124 -12.416 1.00 0.00 C ATOM 44 O ASP A 4 -4.022 2.364 -13.622 1.00 0.00 O ATOM 45 CB ASP A 4 -6.039 0.436 -12.790 1.00 0.00 C ATOM 46 CG ASP A 4 -5.037 -0.674 -13.153 1.00 0.00 C ATOM 47 OD1 ASP A 4 -4.252 -1.103 -12.273 1.00 0.00 O ATOM 48 OD2 ASP A 4 -5.045 -1.141 -14.318 1.00 0.00 O ATOM 0 H ASP A 4 -7.211 2.526 -12.255 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.145 1.006 -10.922 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -6.913 -0.010 -12.315 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.385 0.920 -13.703 1.00 0.00 H new ATOM 53 N ARG A 5 -3.198 2.435 -11.520 1.00 0.00 N ATOM 54 CA ARG A 5 -1.950 3.176 -11.788 1.00 0.00 C ATOM 55 C ARG A 5 -0.761 2.562 -11.038 1.00 0.00 C ATOM 56 O ARG A 5 -0.941 1.878 -10.028 1.00 0.00 O ATOM 57 CB ARG A 5 -2.129 4.655 -11.384 1.00 0.00 C ATOM 58 CG ARG A 5 -3.239 5.378 -12.171 1.00 0.00 C ATOM 59 CD ARG A 5 -3.372 6.854 -11.777 1.00 0.00 C ATOM 60 NE ARG A 5 -3.832 7.016 -10.381 1.00 0.00 N ATOM 61 CZ ARG A 5 -4.117 8.151 -9.767 1.00 0.00 C ATOM 62 NH1 ARG A 5 -4.046 9.305 -10.368 1.00 0.00 N ATOM 63 NH2 ARG A 5 -4.484 8.148 -8.518 1.00 0.00 N ATOM 0 H ARG A 5 -3.282 2.165 -10.540 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.737 3.112 -12.855 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.357 4.707 -10.319 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.186 5.181 -11.535 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -3.028 5.308 -13.238 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -4.189 4.873 -12.000 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.410 7.350 -11.901 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.074 7.347 -12.449 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.941 6.162 -9.834 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.762 9.354 -11.347 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.274 10.160 -9.860 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.553 7.267 -8.009 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -4.703 9.027 -8.049 1.00 0.00 H new ATOM 77 N VAL A 6 0.463 2.847 -11.492 1.00 0.00 N ATOM 78 CA VAL A 6 1.722 2.328 -10.911 1.00 0.00 C ATOM 79 C VAL A 6 2.162 3.183 -9.706 1.00 0.00 C ATOM 80 O VAL A 6 3.218 3.816 -9.707 1.00 0.00 O ATOM 81 CB VAL A 6 2.823 2.148 -11.987 1.00 0.00 C ATOM 82 CG1 VAL A 6 3.986 1.291 -11.465 1.00 0.00 C ATOM 83 CG2 VAL A 6 2.292 1.435 -13.243 1.00 0.00 C ATOM 0 H VAL A 6 0.618 3.459 -12.293 1.00 0.00 H new ATOM 0 HA VAL A 6 1.537 1.326 -10.524 1.00 0.00 H new ATOM 0 HB VAL A 6 3.156 3.157 -12.230 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.739 1.186 -12.246 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.431 1.773 -10.594 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.614 0.306 -11.184 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.097 1.330 -13.970 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.919 0.448 -12.971 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.483 2.021 -13.679 1.00 0.00 H new ATOM 93 N LEU A 7 1.297 3.245 -8.685 1.00 0.00 N ATOM 94 CA LEU A 7 1.449 3.984 -7.415 1.00 0.00 C ATOM 95 C LEU A 7 1.689 5.512 -7.533 1.00 0.00 C ATOM 96 O LEU A 7 1.984 6.170 -6.531 1.00 0.00 O ATOM 97 CB LEU A 7 2.489 3.279 -6.512 1.00 0.00 C ATOM 98 CG LEU A 7 2.258 1.775 -6.261 1.00 0.00 C ATOM 99 CD1 LEU A 7 3.371 1.228 -5.364 1.00 0.00 C ATOM 100 CD2 LEU A 7 0.917 1.488 -5.583 1.00 0.00 C ATOM 0 H LEU A 7 0.408 2.746 -8.723 1.00 0.00 H new ATOM 0 HA LEU A 7 0.469 3.945 -6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.475 3.405 -6.960 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.509 3.789 -5.549 1.00 0.00 H new ATOM 0 HG LEU A 7 2.258 1.290 -7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.207 0.165 -5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.335 1.370 -5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.365 1.759 -4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.808 0.414 -5.431 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.880 1.996 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.105 1.849 -6.215 1.00 0.00 H new ATOM 112 N ARG A 8 1.550 6.091 -8.734 1.00 0.00 N ATOM 113 CA ARG A 8 1.775 7.516 -9.046 1.00 0.00 C ATOM 114 C ARG A 8 0.901 7.965 -10.227 1.00 0.00 C ATOM 115 O ARG A 8 0.672 7.189 -11.155 1.00 0.00 O ATOM 116 CB ARG A 8 3.279 7.715 -9.336 1.00 0.00 C ATOM 117 CG ARG A 8 3.695 9.190 -9.480 1.00 0.00 C ATOM 118 CD ARG A 8 5.212 9.348 -9.660 1.00 0.00 C ATOM 119 NE ARG A 8 5.960 8.985 -8.438 1.00 0.00 N ATOM 120 CZ ARG A 8 7.274 8.900 -8.312 1.00 0.00 C ATOM 121 NH1 ARG A 8 8.084 9.143 -9.303 1.00 0.00 N ATOM 122 NH2 ARG A 8 7.805 8.565 -7.171 1.00 0.00 N ATOM 0 H ARG A 8 1.265 5.557 -9.555 1.00 0.00 H new ATOM 0 HA ARG A 8 1.487 8.136 -8.197 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.858 7.261 -8.531 1.00 0.00 H new ATOM 0 HB3 ARG A 8 3.536 7.184 -10.252 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.181 9.629 -10.335 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.376 9.744 -8.597 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.545 8.722 -10.487 1.00 0.00 H new ATOM 0 HD3 ARG A 8 5.439 10.379 -9.930 1.00 0.00 H new ATOM 0 HE ARG A 8 5.406 8.779 -7.607 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.710 9.409 -10.214 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.092 9.067 -9.168 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.207 8.367 -6.369 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.819 8.501 -7.080 1.00 0.00 H new ATOM 136 N GLY A 9 0.431 9.214 -10.199 1.00 0.00 N ATOM 137 CA GLY A 9 -0.413 9.787 -11.262 1.00 0.00 C ATOM 138 C GLY A 9 -0.829 11.249 -11.056 1.00 0.00 C ATOM 139 O GLY A 9 -1.930 11.630 -11.454 1.00 0.00 O ATOM 0 H GLY A 9 0.623 9.864 -9.436 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.122 9.709 -12.209 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.314 9.180 -11.354 1.00 0.00 H new ATOM 143 N SER A 10 0.017 12.068 -10.417 1.00 0.00 N ATOM 144 CA SER A 10 -0.321 13.435 -9.964 1.00 0.00 C ATOM 145 C SER A 10 -0.705 14.399 -11.105 1.00 0.00 C ATOM 146 O SER A 10 -1.519 15.307 -10.912 1.00 0.00 O ATOM 147 CB SER A 10 0.866 13.995 -9.168 1.00 0.00 C ATOM 148 OG SER A 10 0.517 15.197 -8.500 1.00 0.00 O ATOM 0 H SER A 10 0.975 11.799 -10.193 1.00 0.00 H new ATOM 0 HA SER A 10 -1.211 13.357 -9.340 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.200 13.256 -8.440 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.703 14.180 -9.841 1.00 0.00 H new ATOM 0 HG SER A 10 1.291 15.530 -8.000 1.00 0.00 H new ATOM 154 N ARG A 11 -0.182 14.171 -12.321 1.00 0.00 N ATOM 155 CA ARG A 11 -0.492 14.955 -13.536 1.00 0.00 C ATOM 156 C ARG A 11 -1.867 14.646 -14.160 1.00 0.00 C ATOM 157 O ARG A 11 -2.306 15.402 -15.027 1.00 0.00 O ATOM 158 CB ARG A 11 0.633 14.772 -14.574 1.00 0.00 C ATOM 159 CG ARG A 11 1.985 15.325 -14.087 1.00 0.00 C ATOM 160 CD ARG A 11 3.056 15.290 -15.189 1.00 0.00 C ATOM 161 NE ARG A 11 3.389 13.914 -15.615 1.00 0.00 N ATOM 162 CZ ARG A 11 4.278 13.097 -15.076 1.00 0.00 C ATOM 163 NH1 ARG A 11 4.986 13.427 -14.032 1.00 0.00 N ATOM 164 NH2 ARG A 11 4.473 11.913 -15.581 1.00 0.00 N ATOM 0 H ARG A 11 0.485 13.419 -12.494 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.550 15.997 -13.221 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.740 13.712 -14.805 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.352 15.273 -15.500 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.854 16.351 -13.743 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.327 14.743 -13.231 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.704 15.858 -16.050 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.959 15.783 -14.829 1.00 0.00 H new ATOM 0 HE ARG A 11 2.873 13.553 -16.418 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.864 14.344 -13.602 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.662 12.768 -13.645 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.939 11.612 -16.396 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.160 11.286 -15.162 1.00 0.00 H new ATOM 178 N LEU A 12 -2.538 13.580 -13.700 1.00 0.00 N ATOM 179 CA LEU A 12 -3.785 12.987 -14.216 1.00 0.00 C ATOM 180 C LEU A 12 -3.674 12.436 -15.658 1.00 0.00 C ATOM 181 O LEU A 12 -3.227 13.115 -16.584 1.00 0.00 O ATOM 182 CB LEU A 12 -4.971 13.945 -13.950 1.00 0.00 C ATOM 183 CG LEU A 12 -6.362 13.372 -14.293 1.00 0.00 C ATOM 184 CD1 LEU A 12 -7.423 13.946 -13.350 1.00 0.00 C ATOM 185 CD2 LEU A 12 -6.796 13.720 -15.718 1.00 0.00 C ATOM 0 H LEU A 12 -2.195 13.066 -12.889 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.992 12.076 -13.655 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.961 14.228 -12.897 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.818 14.857 -14.527 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.278 12.290 -14.189 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.399 13.532 -13.605 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.175 13.684 -12.321 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.451 15.031 -13.452 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.781 13.295 -15.912 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.840 14.803 -15.831 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.077 13.310 -16.428 1.00 0.00 H new ATOM 197 N GLY A 13 -4.079 11.173 -15.844 1.00 0.00 N ATOM 198 CA GLY A 13 -4.030 10.464 -17.131 1.00 0.00 C ATOM 199 C GLY A 13 -5.249 10.725 -18.027 1.00 0.00 C ATOM 200 O GLY A 13 -6.376 10.823 -17.534 1.00 0.00 O ATOM 0 H GLY A 13 -4.458 10.603 -15.088 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.127 10.761 -17.665 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.951 9.393 -16.943 1.00 0.00 H new ATOM 204 N ALA A 14 -5.017 10.783 -19.345 1.00 0.00 N ATOM 205 CA ALA A 14 -6.011 11.069 -20.394 1.00 0.00 C ATOM 206 C ALA A 14 -6.778 12.408 -20.217 1.00 0.00 C ATOM 207 O ALA A 14 -6.426 13.251 -19.386 1.00 0.00 O ATOM 208 CB ALA A 14 -6.917 9.835 -20.564 1.00 0.00 C ATOM 0 H ALA A 14 -4.086 10.624 -19.730 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.479 11.243 -21.329 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.659 10.032 -21.338 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.311 8.976 -20.852 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.423 9.623 -19.622 1.00 0.00 H new ATOM 214 N VAL A 15 -7.804 12.627 -21.048 1.00 0.00 N ATOM 215 CA VAL A 15 -8.651 13.831 -21.091 1.00 0.00 C ATOM 216 C VAL A 15 -10.141 13.478 -21.112 1.00 0.00 C ATOM 217 O VAL A 15 -10.535 12.392 -21.545 1.00 0.00 O ATOM 218 CB VAL A 15 -8.299 14.724 -22.300 1.00 0.00 C ATOM 219 CG1 VAL A 15 -6.900 15.335 -22.162 1.00 0.00 C ATOM 220 CG2 VAL A 15 -8.389 13.993 -23.649 1.00 0.00 C ATOM 0 H VAL A 15 -8.082 11.936 -21.745 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.449 14.390 -20.177 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.052 15.512 -22.295 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.687 15.957 -23.031 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.857 15.945 -21.260 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.160 14.538 -22.096 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.129 14.681 -24.454 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.697 13.151 -23.653 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.405 13.628 -23.798 1.00 0.00 H new ATOM 230 N SER A 16 -10.971 14.421 -20.660 1.00 0.00 N ATOM 231 CA SER A 16 -12.434 14.283 -20.532 1.00 0.00 C ATOM 232 C SER A 16 -13.209 15.274 -21.424 1.00 0.00 C ATOM 233 O SER A 16 -14.397 15.527 -21.209 1.00 0.00 O ATOM 234 CB SER A 16 -12.835 14.428 -19.056 1.00 0.00 C ATOM 235 OG SER A 16 -12.125 13.517 -18.225 1.00 0.00 O ATOM 0 H SER A 16 -10.636 15.337 -20.361 1.00 0.00 H new ATOM 0 HA SER A 16 -12.707 13.289 -20.886 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.642 15.448 -18.725 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.906 14.256 -18.952 1.00 0.00 H new ATOM 0 HG SER A 16 -12.404 13.638 -17.293 1.00 0.00 H new ATOM 241 N TYR A 17 -12.518 15.879 -22.393 1.00 0.00 N ATOM 242 CA TYR A 17 -12.949 17.040 -23.180 1.00 0.00 C ATOM 243 C TYR A 17 -12.229 17.098 -24.534 1.00 0.00 C ATOM 244 O TYR A 17 -11.163 16.503 -24.714 1.00 0.00 O ATOM 245 CB TYR A 17 -12.691 18.321 -22.362 1.00 0.00 C ATOM 246 CG TYR A 17 -11.328 18.375 -21.686 1.00 0.00 C ATOM 247 CD1 TYR A 17 -10.187 18.766 -22.414 1.00 0.00 C ATOM 248 CD2 TYR A 17 -11.197 17.977 -20.340 1.00 0.00 C ATOM 249 CE1 TYR A 17 -8.917 18.748 -21.803 1.00 0.00 C ATOM 250 CE2 TYR A 17 -9.929 17.950 -19.728 1.00 0.00 C ATOM 251 CZ TYR A 17 -8.784 18.338 -20.458 1.00 0.00 C ATOM 252 OH TYR A 17 -7.562 18.315 -19.858 1.00 0.00 O ATOM 0 H TYR A 17 -11.590 15.555 -22.666 1.00 0.00 H new ATOM 0 HA TYR A 17 -14.015 16.951 -23.392 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -12.790 19.184 -23.021 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.464 18.412 -21.599 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.286 19.080 -23.443 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -12.073 17.692 -19.776 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.044 19.048 -22.364 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.832 17.633 -18.700 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.658 18.008 -18.932 1.00 0.00 H new ATOM 262 N GLU A 18 -12.818 17.822 -25.487 1.00 0.00 N ATOM 263 CA GLU A 18 -12.355 17.909 -26.875 1.00 0.00 C ATOM 264 C GLU A 18 -10.921 18.461 -26.973 1.00 0.00 C ATOM 265 O GLU A 18 -10.672 19.644 -26.718 1.00 0.00 O ATOM 266 CB GLU A 18 -13.323 18.741 -27.738 1.00 0.00 C ATOM 267 CG GLU A 18 -14.764 18.203 -27.778 1.00 0.00 C ATOM 268 CD GLU A 18 -15.667 18.863 -26.714 1.00 0.00 C ATOM 269 OE1 GLU A 18 -15.544 18.530 -25.510 1.00 0.00 O ATOM 270 OE2 GLU A 18 -16.509 19.721 -27.074 1.00 0.00 O ATOM 0 H GLU A 18 -13.654 18.380 -25.311 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.340 16.892 -27.267 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.340 19.763 -27.360 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.936 18.785 -28.756 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -15.187 18.376 -28.768 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.751 17.124 -27.621 1.00 0.00 H new ATOM 277 N THR A 19 -9.981 17.589 -27.344 1.00 0.00 N ATOM 278 CA THR A 19 -8.534 17.868 -27.385 1.00 0.00 C ATOM 279 C THR A 19 -7.936 17.429 -28.723 1.00 0.00 C ATOM 280 O THR A 19 -7.971 16.247 -29.067 1.00 0.00 O ATOM 281 CB THR A 19 -7.811 17.152 -26.230 1.00 0.00 C ATOM 282 OG1 THR A 19 -8.382 17.502 -24.988 1.00 0.00 O ATOM 283 CG2 THR A 19 -6.329 17.522 -26.142 1.00 0.00 C ATOM 0 H THR A 19 -10.208 16.638 -27.634 1.00 0.00 H new ATOM 0 HA THR A 19 -8.396 18.944 -27.275 1.00 0.00 H new ATOM 0 HB THR A 19 -7.916 16.087 -26.439 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.292 17.142 -24.933 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.869 16.988 -25.310 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.829 17.246 -27.071 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.231 18.596 -25.982 1.00 0.00 H new ATOM 291 N ASP A 20 -7.357 18.366 -29.479 1.00 0.00 N ATOM 292 CA ASP A 20 -6.788 18.097 -30.806 1.00 0.00 C ATOM 293 C ASP A 20 -5.601 17.127 -30.781 1.00 0.00 C ATOM 294 O ASP A 20 -4.794 17.119 -29.851 1.00 0.00 O ATOM 295 CB ASP A 20 -6.458 19.413 -31.529 1.00 0.00 C ATOM 296 CG ASP A 20 -5.220 20.123 -30.955 1.00 0.00 C ATOM 297 OD1 ASP A 20 -5.363 20.898 -29.979 1.00 0.00 O ATOM 298 OD2 ASP A 20 -4.106 19.918 -31.496 1.00 0.00 O ATOM 0 H ASP A 20 -7.268 19.339 -29.187 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.556 17.578 -31.380 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.294 19.208 -32.587 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.316 20.082 -31.463 1.00 0.00 H new ATOM 303 N ARG A 21 -5.469 16.254 -31.786 1.00 0.00 N ATOM 304 CA ARG A 21 -6.249 16.095 -33.040 1.00 0.00 C ATOM 305 C ARG A 21 -7.431 15.110 -32.926 1.00 0.00 C ATOM 306 O ARG A 21 -8.093 14.819 -33.924 1.00 0.00 O ATOM 307 CB ARG A 21 -5.263 15.731 -34.176 1.00 0.00 C ATOM 308 CG ARG A 21 -4.711 16.961 -34.922 1.00 0.00 C ATOM 309 CD ARG A 21 -3.744 17.818 -34.095 1.00 0.00 C ATOM 310 NE ARG A 21 -2.453 17.149 -33.846 1.00 0.00 N ATOM 311 CZ ARG A 21 -1.625 17.391 -32.843 1.00 0.00 C ATOM 312 NH1 ARG A 21 -1.870 18.274 -31.917 1.00 0.00 N ATOM 313 NH2 ARG A 21 -0.505 16.730 -32.752 1.00 0.00 N ATOM 0 H ARG A 21 -4.728 15.555 -31.744 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.738 17.042 -33.267 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -4.431 15.165 -33.758 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.766 15.078 -34.889 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.200 16.625 -35.824 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.547 17.583 -35.242 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.565 18.759 -34.615 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.210 18.064 -33.141 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.171 16.430 -34.512 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.733 18.816 -31.945 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.198 18.423 -31.164 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.269 16.028 -33.453 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.135 16.915 -31.980 1.00 0.00 H new ATOM 327 N ASN A 22 -7.716 14.614 -31.720 1.00 0.00 N ATOM 328 CA ASN A 22 -8.892 13.793 -31.405 1.00 0.00 C ATOM 329 C ASN A 22 -10.185 14.650 -31.331 1.00 0.00 C ATOM 330 O ASN A 22 -10.130 15.884 -31.377 1.00 0.00 O ATOM 331 CB ASN A 22 -8.584 13.024 -30.100 1.00 0.00 C ATOM 332 CG ASN A 22 -9.491 11.831 -29.822 1.00 0.00 C ATOM 333 OD1 ASN A 22 -10.286 11.397 -30.644 1.00 0.00 O ATOM 334 ND2 ASN A 22 -9.381 11.241 -28.655 1.00 0.00 N ATOM 0 H ASN A 22 -7.118 14.776 -30.910 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.089 13.073 -32.200 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.552 12.675 -30.137 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.656 13.718 -29.262 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.956 10.427 -28.439 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.720 11.597 -27.964 1.00 0.00 H new ATOM 341 N HIS A 23 -11.341 13.986 -31.194 1.00 0.00 N ATOM 342 CA HIS A 23 -12.693 14.565 -31.071 1.00 0.00 C ATOM 343 C HIS A 23 -13.133 15.414 -32.286 1.00 0.00 C ATOM 344 O HIS A 23 -12.424 15.525 -33.289 1.00 0.00 O ATOM 345 CB HIS A 23 -12.802 15.341 -29.741 1.00 0.00 C ATOM 346 CG HIS A 23 -12.341 14.574 -28.523 1.00 0.00 C ATOM 347 ND1 HIS A 23 -11.097 14.720 -27.899 1.00 0.00 N ATOM 348 CD2 HIS A 23 -13.084 13.674 -27.817 1.00 0.00 C ATOM 349 CE1 HIS A 23 -11.122 13.904 -26.832 1.00 0.00 C ATOM 350 NE2 HIS A 23 -12.301 13.262 -26.761 1.00 0.00 N ATOM 0 H HIS A 23 -11.362 12.967 -31.164 1.00 0.00 H new ATOM 0 HA HIS A 23 -13.399 13.735 -31.061 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -12.215 16.256 -29.821 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -13.840 15.640 -29.594 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.089 13.348 -28.042 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -10.310 13.781 -26.131 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -12.570 12.585 -26.047 1.00 0.00 H new ATOM 358 N ASP A 24 -14.329 16.008 -32.213 1.00 0.00 N ATOM 359 CA ASP A 24 -14.735 17.088 -33.125 1.00 0.00 C ATOM 360 C ASP A 24 -14.016 18.400 -32.770 1.00 0.00 C ATOM 361 O ASP A 24 -13.756 18.684 -31.596 1.00 0.00 O ATOM 362 CB ASP A 24 -16.252 17.300 -33.101 1.00 0.00 C ATOM 363 CG ASP A 24 -17.029 16.062 -33.576 1.00 0.00 C ATOM 364 OD1 ASP A 24 -17.066 15.807 -34.804 1.00 0.00 O ATOM 365 OD2 ASP A 24 -17.619 15.348 -32.729 1.00 0.00 O ATOM 0 H ASP A 24 -15.040 15.757 -31.526 1.00 0.00 H new ATOM 0 HA ASP A 24 -14.448 16.789 -34.133 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -16.564 17.553 -32.088 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -16.507 18.150 -33.735 1.00 0.00 H new ATOM 370 N LEU A 25 -13.710 19.208 -33.787 1.00 0.00 N ATOM 371 CA LEU A 25 -12.934 20.451 -33.677 1.00 0.00 C ATOM 372 C LEU A 25 -13.547 21.561 -34.548 1.00 0.00 C ATOM 373 O LEU A 25 -13.946 21.317 -35.691 1.00 0.00 O ATOM 374 CB LEU A 25 -11.467 20.188 -34.085 1.00 0.00 C ATOM 375 CG LEU A 25 -10.692 19.185 -33.202 1.00 0.00 C ATOM 376 CD1 LEU A 25 -9.338 18.878 -33.841 1.00 0.00 C ATOM 377 CD2 LEU A 25 -10.433 19.721 -31.791 1.00 0.00 C ATOM 0 H LEU A 25 -14.004 19.011 -34.744 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.960 20.788 -32.641 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.455 19.823 -35.112 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.932 21.138 -34.078 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.311 18.291 -33.126 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.793 18.170 -33.216 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.492 18.446 -34.830 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.762 19.799 -33.933 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.885 18.976 -31.214 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.845 20.637 -31.852 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.384 19.932 -31.302 1.00 0.00 H new ATOM 389 N ALA A 26 -13.598 22.783 -34.012 1.00 0.00 N ATOM 390 CA ALA A 26 -14.113 23.983 -34.681 1.00 0.00 C ATOM 391 C ALA A 26 -13.369 25.264 -34.231 1.00 0.00 C ATOM 392 O ALA A 26 -12.726 25.254 -33.169 1.00 0.00 O ATOM 393 CB ALA A 26 -15.618 24.084 -34.380 1.00 0.00 C ATOM 0 H ALA A 26 -13.270 22.972 -33.065 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.946 23.897 -35.755 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.028 24.969 -34.866 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -16.125 23.196 -34.757 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.769 24.159 -33.303 1.00 0.00 H new ATOM 399 N PRO A 27 -13.464 26.384 -34.979 1.00 0.00 N ATOM 400 CA PRO A 27 -13.016 27.697 -34.525 1.00 0.00 C ATOM 401 C PRO A 27 -13.855 28.172 -33.330 1.00 0.00 C ATOM 402 O PRO A 27 -15.040 27.844 -33.203 1.00 0.00 O ATOM 403 CB PRO A 27 -13.130 28.645 -35.728 1.00 0.00 C ATOM 404 CG PRO A 27 -13.295 27.706 -36.923 1.00 0.00 C ATOM 405 CD PRO A 27 -14.038 26.529 -36.302 1.00 0.00 C ATOM 0 HA PRO A 27 -11.985 27.667 -34.174 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.982 29.317 -35.628 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.242 29.269 -35.830 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.864 28.168 -37.729 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.334 27.407 -37.342 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -15.110 26.721 -36.249 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.906 25.622 -36.892 1.00 0.00 H new ATOM 413 N ARG A 28 -13.211 28.913 -32.429 1.00 0.00 N ATOM 414 CA ARG A 28 -13.752 29.281 -31.107 1.00 0.00 C ATOM 415 C ARG A 28 -13.433 30.710 -30.646 1.00 0.00 C ATOM 416 O ARG A 28 -12.581 31.393 -31.212 1.00 0.00 O ATOM 417 CB ARG A 28 -13.341 28.200 -30.094 1.00 0.00 C ATOM 418 CG ARG A 28 -11.842 28.222 -29.755 1.00 0.00 C ATOM 419 CD ARG A 28 -11.340 26.853 -29.287 1.00 0.00 C ATOM 420 NE ARG A 28 -11.313 25.883 -30.404 1.00 0.00 N ATOM 421 CZ ARG A 28 -10.505 24.850 -30.554 1.00 0.00 C ATOM 422 NH1 ARG A 28 -9.634 24.500 -29.650 1.00 0.00 N ATOM 423 NH2 ARG A 28 -10.569 24.149 -31.646 1.00 0.00 N ATOM 0 H ARG A 28 -12.276 29.286 -32.595 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.839 29.309 -31.188 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.916 28.334 -29.177 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.602 27.220 -30.493 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.276 28.535 -30.633 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.657 28.962 -28.976 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.340 26.954 -28.865 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.985 26.478 -28.492 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.999 26.030 -31.145 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.557 25.032 -28.783 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.030 23.694 -29.809 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.238 24.399 -32.374 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.950 23.348 -31.775 1.00 0.00 H new ATOM 437 N GLN A 29 -14.137 31.134 -29.597 1.00 0.00 N ATOM 438 CA GLN A 29 -14.103 32.446 -28.945 1.00 0.00 C ATOM 439 C GLN A 29 -14.066 32.240 -27.429 1.00 0.00 C ATOM 440 O GLN A 29 -15.003 31.708 -26.842 1.00 0.00 O ATOM 441 CB GLN A 29 -15.366 33.263 -29.278 1.00 0.00 C ATOM 442 CG GLN A 29 -15.692 33.414 -30.775 1.00 0.00 C ATOM 443 CD GLN A 29 -17.065 32.858 -31.113 1.00 0.00 C ATOM 444 OE1 GLN A 29 -17.889 33.488 -31.759 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.350 31.648 -30.696 1.00 0.00 N ATOM 0 H GLN A 29 -14.806 30.514 -29.140 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.223 32.983 -29.299 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.218 32.795 -28.785 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.256 34.258 -28.847 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.648 34.467 -31.052 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.935 32.897 -31.366 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.664 31.120 -30.157 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.258 31.235 -30.911 1.00 0.00 H new ATOM 454 N ILE A 30 -12.998 32.662 -26.773 1.00 0.00 N ATOM 455 CA ILE A 30 -12.854 32.587 -25.316 1.00 0.00 C ATOM 456 C ILE A 30 -13.405 33.883 -24.704 1.00 0.00 C ATOM 457 O ILE A 30 -12.798 34.950 -24.826 1.00 0.00 O ATOM 458 CB ILE A 30 -11.389 32.334 -24.892 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.664 31.259 -25.736 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.344 31.978 -23.394 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.329 29.882 -25.787 1.00 0.00 C ATOM 0 H ILE A 30 -12.190 33.074 -27.239 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.424 31.736 -24.943 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.843 33.259 -25.077 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.567 31.631 -26.756 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.654 31.138 -25.344 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.312 31.799 -23.093 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.754 32.803 -22.811 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.935 31.079 -23.216 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.732 29.212 -26.407 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.401 29.475 -24.778 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.328 29.976 -26.213 1.00 0.00 H new ATOM 473 N ALA A 31 -14.539 33.789 -24.018 1.00 0.00 N ATOM 474 CA ALA A 31 -15.036 34.839 -23.135 1.00 0.00 C ATOM 475 C ALA A 31 -14.640 34.536 -21.677 1.00 0.00 C ATOM 476 O ALA A 31 -14.296 33.405 -21.325 1.00 0.00 O ATOM 477 CB ALA A 31 -16.551 34.979 -23.331 1.00 0.00 C ATOM 0 H ALA A 31 -15.147 32.971 -24.060 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.582 35.799 -23.383 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.932 35.762 -22.675 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.761 35.241 -24.368 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.038 34.034 -23.089 1.00 0.00 H new ATOM 483 N ARG A 32 -14.679 35.553 -20.814 1.00 0.00 N ATOM 484 CA ARG A 32 -14.474 35.427 -19.362 1.00 0.00 C ATOM 485 C ARG A 32 -15.672 35.985 -18.615 1.00 0.00 C ATOM 486 O ARG A 32 -16.341 36.890 -19.101 1.00 0.00 O ATOM 487 CB ARG A 32 -13.162 36.110 -18.935 1.00 0.00 C ATOM 488 CG ARG A 32 -11.980 35.141 -19.016 1.00 0.00 C ATOM 489 CD ARG A 32 -10.631 35.845 -18.804 1.00 0.00 C ATOM 490 NE ARG A 32 -10.144 35.721 -17.416 1.00 0.00 N ATOM 491 CZ ARG A 32 -10.265 36.602 -16.440 1.00 0.00 C ATOM 492 NH1 ARG A 32 -10.868 37.745 -16.572 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.779 36.367 -15.261 1.00 0.00 N ATOM 0 H ARG A 32 -14.858 36.513 -21.109 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.384 34.371 -19.106 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.973 36.972 -19.575 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.259 36.485 -17.916 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.101 34.360 -18.265 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.982 34.650 -19.989 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.892 35.422 -19.485 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.731 36.900 -19.058 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.658 34.855 -17.184 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.281 38.003 -17.468 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.929 38.384 -15.779 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.293 35.489 -15.075 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.882 37.060 -14.519 1.00 0.00 H new ATOM 507 N TYR A 33 -15.929 35.463 -17.425 1.00 0.00 N ATOM 508 CA TYR A 33 -17.043 35.893 -16.573 1.00 0.00 C ATOM 509 C TYR A 33 -16.640 35.992 -15.093 1.00 0.00 C ATOM 510 O TYR A 33 -15.959 35.109 -14.568 1.00 0.00 O ATOM 511 CB TYR A 33 -18.239 34.957 -16.767 1.00 0.00 C ATOM 512 CG TYR A 33 -18.825 34.904 -18.164 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.260 34.074 -19.151 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.971 35.660 -18.457 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.866 33.979 -20.419 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.574 35.575 -19.723 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.044 34.705 -20.692 1.00 0.00 C ATOM 518 OH TYR A 33 -20.704 34.537 -21.864 1.00 0.00 O ATOM 0 H TYR A 33 -15.366 34.719 -17.013 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.331 36.899 -16.879 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.935 33.949 -16.484 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -19.026 35.259 -16.076 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.364 33.511 -18.936 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.392 36.311 -17.705 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.429 33.351 -21.181 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.442 36.176 -19.951 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.376 35.243 -21.965 1.00 0.00 H new ATOM 528 N ARG A 34 -17.090 37.056 -14.411 1.00 0.00 N ATOM 529 CA ARG A 34 -16.822 37.343 -12.990 1.00 0.00 C ATOM 530 C ARG A 34 -18.040 37.036 -12.120 1.00 0.00 C ATOM 531 O ARG A 34 -19.117 37.584 -12.353 1.00 0.00 O ATOM 532 CB ARG A 34 -16.388 38.811 -12.832 1.00 0.00 C ATOM 533 CG ARG A 34 -16.069 39.156 -11.367 1.00 0.00 C ATOM 534 CD ARG A 34 -15.158 40.380 -11.236 1.00 0.00 C ATOM 535 NE ARG A 34 -15.747 41.599 -11.822 1.00 0.00 N ATOM 536 CZ ARG A 34 -15.169 42.441 -12.664 1.00 0.00 C ATOM 537 NH1 ARG A 34 -14.003 42.227 -13.206 1.00 0.00 N ATOM 538 NH2 ARG A 34 -15.773 43.549 -12.987 1.00 0.00 N ATOM 0 H ARG A 34 -17.673 37.769 -14.849 1.00 0.00 H new ATOM 0 HA ARG A 34 -16.013 36.695 -12.651 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.510 38.999 -13.450 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.180 39.466 -13.196 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.999 39.341 -10.830 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.591 38.299 -10.891 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.944 40.556 -10.182 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.206 40.172 -11.724 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.705 41.817 -11.548 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.488 41.374 -12.987 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.606 42.912 -13.849 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.688 43.765 -12.591 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -15.331 44.200 -13.635 1.00 0.00 H new ATOM 552 N THR A 35 -17.861 36.171 -11.126 1.00 0.00 N ATOM 553 CA THR A 35 -18.906 35.719 -10.189 1.00 0.00 C ATOM 554 C THR A 35 -19.202 36.766 -9.118 1.00 0.00 C ATOM 555 O THR A 35 -18.546 37.807 -9.029 1.00 0.00 O ATOM 556 CB THR A 35 -18.532 34.412 -9.482 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.397 34.607 -8.694 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.282 33.260 -10.434 1.00 0.00 C ATOM 0 H THR A 35 -16.954 35.745 -10.937 1.00 0.00 H new ATOM 0 HA THR A 35 -19.791 35.556 -10.804 1.00 0.00 H new ATOM 0 HB THR A 35 -19.391 34.140 -8.868 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.621 34.763 -9.271 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.022 32.367 -9.865 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.182 33.069 -11.018 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.461 33.514 -11.105 1.00 0.00 H new ATOM 566 N ASP A 36 -20.159 36.465 -8.240 1.00 0.00 N ATOM 567 CA ASP A 36 -20.580 37.388 -7.190 1.00 0.00 C ATOM 568 C ASP A 36 -19.558 37.543 -6.046 1.00 0.00 C ATOM 569 O ASP A 36 -19.614 38.539 -5.322 1.00 0.00 O ATOM 570 CB ASP A 36 -21.967 36.963 -6.682 1.00 0.00 C ATOM 571 CG ASP A 36 -22.612 38.018 -5.765 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.923 39.133 -6.251 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.849 37.724 -4.569 1.00 0.00 O ATOM 0 H ASP A 36 -20.662 35.577 -8.238 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.640 38.385 -7.626 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.621 36.780 -7.534 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.878 36.022 -6.140 1.00 0.00 H new ATOM 578 N ASN A 37 -18.578 36.631 -5.915 1.00 0.00 N ATOM 579 CA ASN A 37 -17.466 36.819 -4.966 1.00 0.00 C ATOM 580 C ASN A 37 -16.248 37.534 -5.602 1.00 0.00 C ATOM 581 O ASN A 37 -15.201 37.663 -4.962 1.00 0.00 O ATOM 582 CB ASN A 37 -17.060 35.500 -4.296 1.00 0.00 C ATOM 583 CG ASN A 37 -18.178 34.536 -3.952 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.252 34.889 -3.482 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.928 33.266 -4.159 1.00 0.00 N ATOM 0 H ASN A 37 -18.533 35.763 -6.449 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.840 37.483 -4.186 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.359 34.986 -4.954 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.521 35.737 -3.379 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.631 32.564 -3.928 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.031 32.980 -4.551 1.00 0.00 H new ATOM 592 N GLY A 38 -16.349 37.949 -6.872 1.00 0.00 N ATOM 593 CA GLY A 38 -15.231 38.431 -7.694 1.00 0.00 C ATOM 594 C GLY A 38 -14.389 37.331 -8.338 1.00 0.00 C ATOM 595 O GLY A 38 -13.349 37.630 -8.922 1.00 0.00 O ATOM 0 H GLY A 38 -17.239 37.959 -7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.627 39.073 -8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.582 39.050 -7.074 1.00 0.00 H new ATOM 599 N GLU A 39 -14.801 36.065 -8.230 1.00 0.00 N ATOM 600 CA GLU A 39 -14.048 34.934 -8.793 1.00 0.00 C ATOM 601 C GLU A 39 -14.240 34.926 -10.314 1.00 0.00 C ATOM 602 O GLU A 39 -15.373 34.827 -10.788 1.00 0.00 O ATOM 603 CB GLU A 39 -14.480 33.587 -8.173 1.00 0.00 C ATOM 604 CG GLU A 39 -14.846 33.674 -6.685 1.00 0.00 C ATOM 605 CD GLU A 39 -14.596 32.406 -5.849 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.574 31.702 -6.038 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.426 32.150 -4.942 1.00 0.00 O ATOM 0 H GLU A 39 -15.661 35.793 -7.753 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.992 35.059 -8.554 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.337 33.203 -8.726 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.672 32.866 -8.296 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.282 34.494 -6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.902 33.934 -6.606 1.00 0.00 H new ATOM 614 N GLU A 40 -13.166 35.043 -11.089 1.00 0.00 N ATOM 615 CA GLU A 40 -13.236 35.100 -12.558 1.00 0.00 C ATOM 616 C GLU A 40 -12.850 33.763 -13.208 1.00 0.00 C ATOM 617 O GLU A 40 -11.810 33.174 -12.894 1.00 0.00 O ATOM 618 CB GLU A 40 -12.350 36.221 -13.119 1.00 0.00 C ATOM 619 CG GLU A 40 -12.702 37.614 -12.582 1.00 0.00 C ATOM 620 CD GLU A 40 -11.982 38.748 -13.340 1.00 0.00 C ATOM 621 OE1 GLU A 40 -10.878 38.523 -13.895 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.525 39.876 -13.392 1.00 0.00 O ATOM 0 H GLU A 40 -12.216 35.102 -10.721 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.276 35.312 -12.807 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.309 36.002 -12.881 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.434 36.229 -14.206 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.779 37.764 -12.652 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.441 37.667 -11.525 1.00 0.00 H new ATOM 629 N PHE A 41 -13.683 33.308 -14.149 1.00 0.00 N ATOM 630 CA PHE A 41 -13.524 32.064 -14.909 1.00 0.00 C ATOM 631 C PHE A 41 -13.622 32.312 -16.417 1.00 0.00 C ATOM 632 O PHE A 41 -14.144 33.329 -16.870 1.00 0.00 O ATOM 633 CB PHE A 41 -14.589 31.044 -14.484 1.00 0.00 C ATOM 634 CG PHE A 41 -14.455 30.569 -13.052 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.938 31.340 -11.975 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.812 29.344 -12.795 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.733 30.897 -10.662 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.579 28.923 -11.475 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.028 29.709 -10.405 1.00 0.00 C ATOM 0 H PHE A 41 -14.525 33.820 -14.414 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.532 31.668 -14.692 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.575 31.488 -14.617 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.536 30.181 -15.148 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.462 32.266 -12.161 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.495 28.722 -13.619 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.122 31.476 -9.837 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -13.056 27.997 -11.286 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.833 29.403 -9.388 1.00 0.00 H new ATOM 649 N GLU A 42 -13.143 31.351 -17.200 1.00 0.00 N ATOM 650 CA GLU A 42 -13.101 31.392 -18.662 1.00 0.00 C ATOM 651 C GLU A 42 -14.102 30.397 -19.267 1.00 0.00 C ATOM 652 O GLU A 42 -14.210 29.255 -18.809 1.00 0.00 O ATOM 653 CB GLU A 42 -11.684 31.099 -19.196 1.00 0.00 C ATOM 654 CG GLU A 42 -10.536 31.736 -18.391 1.00 0.00 C ATOM 655 CD GLU A 42 -9.936 30.793 -17.325 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.660 29.923 -16.778 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.727 30.924 -17.016 1.00 0.00 O ATOM 0 H GLU A 42 -12.757 30.486 -16.821 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.379 32.402 -18.964 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.537 30.019 -19.216 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.622 31.449 -20.226 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.748 32.044 -19.078 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.903 32.638 -17.902 1.00 0.00 H new ATOM 664 N VAL A 43 -14.809 30.819 -20.317 1.00 0.00 N ATOM 665 CA VAL A 43 -15.769 29.995 -21.070 1.00 0.00 C ATOM 666 C VAL A 43 -15.465 30.071 -22.577 1.00 0.00 C ATOM 667 O VAL A 43 -15.704 31.108 -23.204 1.00 0.00 O ATOM 668 CB VAL A 43 -17.228 30.403 -20.780 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.203 29.414 -21.430 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.543 30.461 -19.279 1.00 0.00 C ATOM 0 H VAL A 43 -14.731 31.769 -20.681 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.655 28.963 -20.740 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.348 31.402 -21.199 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.227 29.718 -21.215 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.047 29.405 -22.509 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.029 28.415 -21.029 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.583 30.753 -19.137 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.378 29.480 -18.834 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.892 31.191 -18.799 1.00 0.00 H new ATOM 680 N PRO A 44 -14.951 28.986 -23.187 1.00 0.00 N ATOM 681 CA PRO A 44 -14.835 28.840 -24.632 1.00 0.00 C ATOM 682 C PRO A 44 -16.212 28.644 -25.288 1.00 0.00 C ATOM 683 O PRO A 44 -16.997 27.777 -24.892 1.00 0.00 O ATOM 684 CB PRO A 44 -13.927 27.630 -24.876 1.00 0.00 C ATOM 685 CG PRO A 44 -13.263 27.354 -23.528 1.00 0.00 C ATOM 686 CD PRO A 44 -14.283 27.882 -22.526 1.00 0.00 C ATOM 0 HA PRO A 44 -14.414 29.740 -25.079 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.501 26.768 -25.217 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.185 27.843 -25.645 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.069 26.291 -23.384 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.306 27.867 -23.437 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.995 27.105 -22.246 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.795 28.213 -21.609 1.00 0.00 H new ATOM 694 N PHE A 45 -16.475 29.432 -26.321 1.00 0.00 N ATOM 695 CA PHE A 45 -17.651 29.352 -27.207 1.00 0.00 C ATOM 696 C PHE A 45 -17.239 28.972 -28.631 1.00 0.00 C ATOM 697 O PHE A 45 -16.209 29.432 -29.114 1.00 0.00 O ATOM 698 CB PHE A 45 -18.386 30.696 -27.216 1.00 0.00 C ATOM 699 CG PHE A 45 -19.260 30.924 -25.995 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.688 31.410 -24.805 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.647 30.676 -26.048 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.490 31.635 -23.677 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.448 30.902 -24.911 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.864 31.368 -23.719 1.00 0.00 C ATOM 0 H PHE A 45 -15.845 30.189 -26.587 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.317 28.577 -26.827 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.653 31.500 -27.282 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.005 30.755 -28.111 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.628 31.610 -24.760 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.096 30.313 -26.961 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.045 32.017 -22.770 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.511 30.717 -24.955 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.473 31.519 -22.840 1.00 0.00 H new ATOM 714 N ALA A 46 -18.053 28.205 -29.351 1.00 0.00 N ATOM 715 CA ALA A 46 -17.791 27.821 -30.741 1.00 0.00 C ATOM 716 C ALA A 46 -18.311 28.886 -31.722 1.00 0.00 C ATOM 717 O ALA A 46 -19.218 29.652 -31.396 1.00 0.00 O ATOM 718 CB ALA A 46 -18.393 26.436 -30.988 1.00 0.00 C ATOM 0 H ALA A 46 -18.926 27.826 -28.983 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.717 27.763 -30.917 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.206 26.137 -32.019 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.935 25.714 -30.312 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.468 26.469 -30.809 1.00 0.00 H new ATOM 724 N ASP A 47 -17.745 28.955 -32.927 1.00 0.00 N ATOM 725 CA ASP A 47 -18.061 29.980 -33.939 1.00 0.00 C ATOM 726 C ASP A 47 -19.539 29.976 -34.389 1.00 0.00 C ATOM 727 O ASP A 47 -20.041 30.982 -34.889 1.00 0.00 O ATOM 728 CB ASP A 47 -17.113 29.783 -35.131 1.00 0.00 C ATOM 729 CG ASP A 47 -17.276 30.870 -36.208 1.00 0.00 C ATOM 730 OD1 ASP A 47 -16.941 32.047 -35.933 1.00 0.00 O ATOM 731 OD2 ASP A 47 -17.696 30.541 -37.343 1.00 0.00 O ATOM 0 H ASP A 47 -17.039 28.289 -33.240 1.00 0.00 H new ATOM 0 HA ASP A 47 -17.913 30.960 -33.486 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.083 29.783 -34.774 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.296 28.805 -35.577 1.00 0.00 H new ATOM 736 N ASP A 48 -20.255 28.868 -34.172 1.00 0.00 N ATOM 737 CA ASP A 48 -21.700 28.756 -34.444 1.00 0.00 C ATOM 738 C ASP A 48 -22.595 29.324 -33.323 1.00 0.00 C ATOM 739 O ASP A 48 -23.806 29.483 -33.505 1.00 0.00 O ATOM 740 CB ASP A 48 -22.053 27.299 -34.747 1.00 0.00 C ATOM 741 CG ASP A 48 -21.970 26.380 -33.519 1.00 0.00 C ATOM 742 OD1 ASP A 48 -20.856 25.903 -33.202 1.00 0.00 O ATOM 743 OD2 ASP A 48 -23.019 26.120 -32.883 1.00 0.00 O ATOM 0 H ASP A 48 -19.847 28.011 -33.798 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.907 29.377 -35.315 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -23.063 27.256 -35.156 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.380 26.923 -35.518 1.00 0.00 H new ATOM 748 N ALA A 49 -21.993 29.636 -32.177 1.00 0.00 N ATOM 749 CA ALA A 49 -22.611 30.243 -30.999 1.00 0.00 C ATOM 750 C ALA A 49 -22.275 31.744 -30.873 1.00 0.00 C ATOM 751 O ALA A 49 -21.471 32.302 -31.626 1.00 0.00 O ATOM 752 CB ALA A 49 -22.174 29.441 -29.763 1.00 0.00 C ATOM 0 H ALA A 49 -20.998 29.461 -32.037 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.696 30.201 -31.093 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.623 29.875 -28.870 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.500 28.406 -29.867 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.088 29.472 -29.675 1.00 0.00 H new ATOM 758 N GLU A 50 -22.879 32.405 -29.886 1.00 0.00 N ATOM 759 CA GLU A 50 -22.559 33.775 -29.459 1.00 0.00 C ATOM 760 C GLU A 50 -22.438 33.853 -27.928 1.00 0.00 C ATOM 761 O GLU A 50 -22.955 32.995 -27.215 1.00 0.00 O ATOM 762 CB GLU A 50 -23.633 34.763 -29.949 1.00 0.00 C ATOM 763 CG GLU A 50 -23.558 35.025 -31.457 1.00 0.00 C ATOM 764 CD GLU A 50 -24.688 35.971 -31.904 1.00 0.00 C ATOM 765 OE1 GLU A 50 -24.529 37.210 -31.785 1.00 0.00 O ATOM 766 OE2 GLU A 50 -25.745 35.482 -32.374 1.00 0.00 O ATOM 0 H GLU A 50 -23.633 31.989 -29.339 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.601 34.049 -29.902 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.620 34.371 -29.702 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.522 35.707 -29.415 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -22.591 35.462 -31.707 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -23.631 34.082 -31.999 1.00 0.00 H new ATOM 773 N ILE A 51 -21.765 34.898 -27.438 1.00 0.00 N ATOM 774 CA ILE A 51 -21.530 35.230 -26.033 1.00 0.00 C ATOM 775 C ILE A 51 -22.726 36.014 -25.463 1.00 0.00 C ATOM 776 O ILE A 51 -22.942 37.173 -25.837 1.00 0.00 O ATOM 777 CB ILE A 51 -20.243 36.063 -25.855 1.00 0.00 C ATOM 778 CG1 ILE A 51 -19.070 35.624 -26.758 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.821 36.064 -24.379 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.555 34.200 -26.559 1.00 0.00 C ATOM 0 H ILE A 51 -21.339 35.584 -28.061 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.412 34.292 -25.491 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.490 37.075 -26.176 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.380 35.733 -27.797 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.240 36.313 -26.599 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.912 36.654 -24.261 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.617 36.498 -23.773 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.634 35.041 -24.053 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.733 34.011 -27.249 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.203 34.080 -25.534 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.361 33.492 -26.751 1.00 0.00 H new ATOM 792 N PRO A 52 -23.514 35.412 -24.565 1.00 0.00 N ATOM 793 CA PRO A 52 -24.509 36.118 -23.773 1.00 0.00 C ATOM 794 C PRO A 52 -23.834 37.004 -22.713 1.00 0.00 C ATOM 795 O PRO A 52 -22.744 36.697 -22.222 1.00 0.00 O ATOM 796 CB PRO A 52 -25.369 35.016 -23.157 1.00 0.00 C ATOM 797 CG PRO A 52 -24.417 33.829 -23.041 1.00 0.00 C ATOM 798 CD PRO A 52 -23.438 34.018 -24.192 1.00 0.00 C ATOM 0 HA PRO A 52 -25.116 36.801 -24.367 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.760 35.311 -22.183 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.227 34.780 -23.786 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.904 33.823 -22.079 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.950 32.882 -23.124 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.426 33.751 -23.889 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.698 33.376 -25.033 1.00 0.00 H new ATOM 806 N GLY A 53 -24.510 38.094 -22.334 1.00 0.00 N ATOM 807 CA GLY A 53 -24.071 39.061 -21.314 1.00 0.00 C ATOM 808 C GLY A 53 -23.626 38.443 -19.980 1.00 0.00 C ATOM 809 O GLY A 53 -22.754 38.994 -19.303 1.00 0.00 O ATOM 0 H GLY A 53 -25.412 38.339 -22.743 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.245 39.644 -21.720 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.887 39.757 -21.120 1.00 0.00 H new ATOM 813 N THR A 54 -24.193 37.294 -19.600 1.00 0.00 N ATOM 814 CA THR A 54 -23.754 36.507 -18.441 1.00 0.00 C ATOM 815 C THR A 54 -23.770 34.991 -18.705 1.00 0.00 C ATOM 816 O THR A 54 -24.483 34.516 -19.592 1.00 0.00 O ATOM 817 CB THR A 54 -24.658 36.781 -17.216 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.009 36.439 -17.480 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.729 38.248 -16.804 1.00 0.00 C ATOM 0 H THR A 54 -24.981 36.877 -20.095 1.00 0.00 H new ATOM 0 HA THR A 54 -22.728 36.819 -18.247 1.00 0.00 H new ATOM 0 HB THR A 54 -24.199 36.179 -16.432 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.554 36.622 -16.686 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.383 38.352 -15.938 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.731 38.603 -16.549 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.124 38.839 -17.630 1.00 0.00 H new ATOM 827 N TRP A 55 -23.004 34.222 -17.921 1.00 0.00 N ATOM 828 CA TRP A 55 -22.875 32.760 -18.023 1.00 0.00 C ATOM 829 C TRP A 55 -22.418 32.130 -16.693 1.00 0.00 C ATOM 830 O TRP A 55 -21.664 32.739 -15.931 1.00 0.00 O ATOM 831 CB TRP A 55 -21.883 32.407 -19.138 1.00 0.00 C ATOM 832 CG TRP A 55 -21.888 30.975 -19.577 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.073 30.015 -19.096 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.710 30.316 -20.589 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.286 28.831 -19.767 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.292 28.955 -20.700 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.760 30.733 -21.432 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.873 28.062 -21.615 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.355 29.847 -22.351 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.912 28.514 -22.446 1.00 0.00 C ATOM 0 H TRP A 55 -22.436 34.614 -17.170 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.858 32.352 -18.259 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.097 33.035 -20.003 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.878 32.662 -18.800 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.357 30.154 -18.300 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.765 27.971 -19.595 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -24.115 31.751 -21.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.526 27.041 -21.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.156 30.192 -22.987 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.370 27.841 -23.156 1.00 0.00 H new ATOM 851 N LEU A 56 -22.851 30.899 -16.399 1.00 0.00 N ATOM 852 CA LEU A 56 -22.517 30.185 -15.162 1.00 0.00 C ATOM 853 C LEU A 56 -21.030 29.780 -15.127 1.00 0.00 C ATOM 854 O LEU A 56 -20.525 29.127 -16.043 1.00 0.00 O ATOM 855 CB LEU A 56 -23.455 28.971 -15.017 1.00 0.00 C ATOM 856 CG LEU A 56 -24.074 28.812 -13.619 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.172 27.749 -13.651 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.040 28.375 -12.583 1.00 0.00 C ATOM 0 H LEU A 56 -23.453 30.363 -17.024 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.668 30.847 -14.309 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.258 29.058 -15.749 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.898 28.066 -15.260 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.475 29.786 -13.339 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.605 27.643 -12.656 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.949 28.049 -14.355 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.747 26.796 -13.965 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.520 28.275 -11.610 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.613 27.416 -12.877 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.248 29.122 -12.522 1.00 0.00 H new ATOM 870 N CYS A 57 -20.333 30.148 -14.054 1.00 0.00 N ATOM 871 CA CYS A 57 -18.907 29.878 -13.857 1.00 0.00 C ATOM 872 C CYS A 57 -18.648 28.547 -13.137 1.00 0.00 C ATOM 873 O CYS A 57 -19.534 27.987 -12.484 1.00 0.00 O ATOM 874 CB CYS A 57 -18.285 31.038 -13.076 1.00 0.00 C ATOM 875 SG CYS A 57 -18.198 32.511 -14.121 1.00 0.00 S ATOM 0 H CYS A 57 -20.754 30.656 -13.276 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.443 29.790 -14.840 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.879 31.248 -12.186 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.286 30.764 -12.736 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.870 32.166 -15.331 1.00 0.00 H new ATOM 881 N ARG A 58 -17.394 28.071 -13.179 1.00 0.00 N ATOM 882 CA ARG A 58 -16.990 26.774 -12.595 1.00 0.00 C ATOM 883 C ARG A 58 -17.034 26.739 -11.055 1.00 0.00 C ATOM 884 O ARG A 58 -17.036 25.658 -10.467 1.00 0.00 O ATOM 885 CB ARG A 58 -15.617 26.315 -13.140 1.00 0.00 C ATOM 886 CG ARG A 58 -15.436 26.528 -14.656 1.00 0.00 C ATOM 887 CD ARG A 58 -14.170 25.873 -15.228 1.00 0.00 C ATOM 888 NE ARG A 58 -12.907 26.491 -14.777 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.193 27.399 -15.423 1.00 0.00 C ATOM 890 NH1 ARG A 58 -12.550 27.933 -16.551 1.00 0.00 N ATOM 891 NH2 ARG A 58 -11.078 27.854 -14.940 1.00 0.00 N ATOM 0 H ARG A 58 -16.625 28.575 -13.620 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.744 26.056 -12.919 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.830 26.854 -12.612 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.484 25.257 -12.915 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.307 26.129 -15.176 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.405 27.598 -14.862 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.164 24.819 -14.951 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.213 25.916 -16.316 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.547 26.186 -13.873 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.428 27.657 -16.991 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.953 28.629 -16.998 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.733 27.512 -14.043 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.546 28.554 -15.457 1.00 0.00 H new ATOM 905 N ASN A 59 -17.146 27.905 -10.405 1.00 0.00 N ATOM 906 CA ASN A 59 -17.434 28.050 -8.968 1.00 0.00 C ATOM 907 C ASN A 59 -18.880 27.640 -8.592 1.00 0.00 C ATOM 908 O ASN A 59 -19.187 27.395 -7.424 1.00 0.00 O ATOM 909 CB ASN A 59 -17.172 29.529 -8.619 1.00 0.00 C ATOM 910 CG ASN A 59 -17.399 29.944 -7.171 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.214 29.191 -6.227 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.745 31.194 -6.956 1.00 0.00 N ATOM 0 H ASN A 59 -17.036 28.802 -10.877 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.794 27.378 -8.397 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.140 29.762 -8.881 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.809 30.146 -9.253 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.859 31.535 -6.001 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.900 31.823 -7.744 1.00 0.00 H new ATOM 919 N GLY A 60 -19.778 27.554 -9.578 1.00 0.00 N ATOM 920 CA GLY A 60 -21.211 27.293 -9.389 1.00 0.00 C ATOM 921 C GLY A 60 -22.051 28.566 -9.212 1.00 0.00 C ATOM 922 O GLY A 60 -23.208 28.477 -8.799 1.00 0.00 O ATOM 0 H GLY A 60 -19.522 27.667 -10.559 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.587 26.737 -10.248 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.343 26.656 -8.514 1.00 0.00 H new ATOM 926 N MET A 61 -21.482 29.743 -9.508 1.00 0.00 N ATOM 927 CA MET A 61 -22.144 31.049 -9.431 1.00 0.00 C ATOM 928 C MET A 61 -22.327 31.670 -10.823 1.00 0.00 C ATOM 929 O MET A 61 -21.497 31.484 -11.715 1.00 0.00 O ATOM 930 CB MET A 61 -21.332 31.948 -8.482 1.00 0.00 C ATOM 931 CG MET A 61 -22.031 33.264 -8.113 1.00 0.00 C ATOM 932 SD MET A 61 -23.703 33.130 -7.413 1.00 0.00 S ATOM 933 CE MET A 61 -23.320 32.410 -5.792 1.00 0.00 C ATOM 0 H MET A 61 -20.513 29.812 -9.819 1.00 0.00 H new ATOM 0 HA MET A 61 -23.151 30.934 -9.030 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.119 31.394 -7.568 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.373 32.177 -8.947 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.403 33.794 -7.396 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.085 33.883 -9.008 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.243 32.263 -5.232 1.00 0.00 H new ATOM 0 HE2 MET A 61 -22.822 31.450 -5.929 1.00 0.00 H new ATOM 0 HE3 MET A 61 -22.664 33.084 -5.240 1.00 0.00 H new ATOM 943 N GLU A 62 -23.403 32.434 -11.013 1.00 0.00 N ATOM 944 CA GLU A 62 -23.665 33.202 -12.235 1.00 0.00 C ATOM 945 C GLU A 62 -22.610 34.309 -12.408 1.00 0.00 C ATOM 946 O GLU A 62 -22.557 35.269 -11.634 1.00 0.00 O ATOM 947 CB GLU A 62 -25.099 33.760 -12.199 1.00 0.00 C ATOM 948 CG GLU A 62 -25.514 34.447 -13.510 1.00 0.00 C ATOM 949 CD GLU A 62 -26.162 33.448 -14.488 1.00 0.00 C ATOM 950 OE1 GLU A 62 -25.416 32.763 -15.227 1.00 0.00 O ATOM 951 OE2 GLU A 62 -27.412 33.338 -14.515 1.00 0.00 O ATOM 0 H GLU A 62 -24.133 32.540 -10.309 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.586 32.550 -13.105 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.793 32.947 -11.987 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.184 34.474 -11.380 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -26.215 35.253 -13.294 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -24.640 34.901 -13.977 1.00 0.00 H new ATOM 958 N GLY A 63 -21.739 34.148 -13.404 1.00 0.00 N ATOM 959 CA GLY A 63 -20.713 35.117 -13.771 1.00 0.00 C ATOM 960 C GLY A 63 -21.188 36.133 -14.811 1.00 0.00 C ATOM 961 O GLY A 63 -21.974 35.801 -15.699 1.00 0.00 O ATOM 0 H GLY A 63 -21.730 33.315 -13.993 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.387 35.648 -12.876 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.844 34.587 -14.161 1.00 0.00 H new ATOM 965 N THR A 64 -20.657 37.356 -14.761 1.00 0.00 N ATOM 966 CA THR A 64 -20.943 38.417 -15.743 1.00 0.00 C ATOM 967 C THR A 64 -19.742 38.709 -16.636 1.00 0.00 C ATOM 968 O THR A 64 -18.605 38.766 -16.165 1.00 0.00 O ATOM 969 CB THR A 64 -21.420 39.707 -15.057 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.560 39.436 -14.265 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.807 40.807 -16.052 1.00 0.00 C ATOM 0 H THR A 64 -20.007 37.646 -14.030 1.00 0.00 H new ATOM 0 HA THR A 64 -21.749 38.044 -16.375 1.00 0.00 H new ATOM 0 HB THR A 64 -20.581 40.058 -14.456 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.859 40.261 -13.829 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.135 41.692 -15.507 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.944 41.060 -16.669 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.617 40.453 -16.689 1.00 0.00 H new ATOM 979 N LEU A 65 -20.002 38.886 -17.933 1.00 0.00 N ATOM 980 CA LEU A 65 -19.007 39.017 -18.995 1.00 0.00 C ATOM 981 C LEU A 65 -17.985 40.154 -18.805 1.00 0.00 C ATOM 982 O LEU A 65 -18.344 41.332 -18.718 1.00 0.00 O ATOM 983 CB LEU A 65 -19.775 39.152 -20.322 1.00 0.00 C ATOM 984 CG LEU A 65 -18.920 39.072 -21.597 1.00 0.00 C ATOM 985 CD1 LEU A 65 -18.313 37.707 -21.823 1.00 0.00 C ATOM 986 CD2 LEU A 65 -19.775 39.435 -22.812 1.00 0.00 C ATOM 0 H LEU A 65 -20.957 38.944 -18.286 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.381 38.125 -18.980 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.532 38.369 -20.364 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.303 40.106 -20.320 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.100 39.778 -21.465 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.722 37.719 -22.739 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.671 37.450 -20.980 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.107 36.966 -21.913 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -19.167 39.378 -23.715 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.609 38.738 -22.891 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.159 40.449 -22.697 1.00 0.00 H new ATOM 998 N ILE A 66 -16.705 39.779 -18.831 1.00 0.00 N ATOM 999 CA ILE A 66 -15.520 40.634 -18.963 1.00 0.00 C ATOM 1000 C ILE A 66 -14.620 40.107 -20.099 1.00 0.00 C ATOM 1001 O ILE A 66 -14.695 38.937 -20.476 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.760 40.802 -17.623 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.029 39.540 -17.111 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.669 41.392 -16.529 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -14.885 38.455 -16.483 1.00 0.00 C ATOM 0 H ILE A 66 -16.448 38.795 -18.755 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.848 41.638 -19.231 1.00 0.00 H new ATOM 0 HB ILE A 66 -13.965 41.511 -17.855 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.485 39.101 -17.947 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -13.286 39.853 -16.377 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.103 41.496 -15.603 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.031 42.370 -16.845 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.517 40.728 -16.363 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.250 37.628 -16.167 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.410 38.861 -15.618 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.611 38.097 -17.213 1.00 0.00 H new ATOM 1017 N GLU A 67 -13.788 40.965 -20.693 1.00 0.00 N ATOM 1018 CA GLU A 67 -12.939 40.609 -21.847 1.00 0.00 C ATOM 1019 C GLU A 67 -11.971 39.444 -21.539 1.00 0.00 C ATOM 1020 O GLU A 67 -11.033 39.589 -20.750 1.00 0.00 O ATOM 1021 CB GLU A 67 -12.148 41.845 -22.315 1.00 0.00 C ATOM 1022 CG GLU A 67 -13.038 42.960 -22.881 1.00 0.00 C ATOM 1023 CD GLU A 67 -12.202 44.205 -23.235 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -11.509 44.205 -24.282 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -12.229 45.197 -22.465 1.00 0.00 O ATOM 0 H GLU A 67 -13.679 41.933 -20.390 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.602 40.269 -22.642 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.574 42.239 -21.476 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.431 41.541 -23.077 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.557 42.601 -23.770 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.803 43.226 -22.151 1.00 0.00 H new ATOM 1032 N GLY A 68 -12.189 38.290 -22.184 1.00 0.00 N ATOM 1033 CA GLY A 68 -11.256 37.153 -22.195 1.00 0.00 C ATOM 1034 C GLY A 68 -10.263 37.247 -23.356 1.00 0.00 C ATOM 1035 O GLY A 68 -9.085 37.542 -23.153 1.00 0.00 O ATOM 0 H GLY A 68 -13.037 38.116 -22.724 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.711 37.120 -21.252 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.818 36.222 -22.271 1.00 0.00 H new ATOM 1039 N ASP A 69 -10.761 37.055 -24.579 1.00 0.00 N ATOM 1040 CA ASP A 69 -10.006 37.194 -25.838 1.00 0.00 C ATOM 1041 C ASP A 69 -10.842 37.871 -26.953 1.00 0.00 C ATOM 1042 O ASP A 69 -10.539 37.749 -28.140 1.00 0.00 O ATOM 1043 CB ASP A 69 -9.480 35.805 -26.248 1.00 0.00 C ATOM 1044 CG ASP A 69 -8.400 35.854 -27.345 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -7.437 36.650 -27.224 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -8.474 35.049 -28.305 1.00 0.00 O ATOM 0 H ASP A 69 -11.734 36.789 -24.732 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.158 37.861 -25.681 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.071 35.307 -25.369 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -10.315 35.198 -26.599 1.00 0.00 H new ATOM 1051 N LEU A 70 -11.906 38.589 -26.567 1.00 0.00 N ATOM 1052 CA LEU A 70 -12.921 39.173 -27.453 1.00 0.00 C ATOM 1053 C LEU A 70 -13.120 40.670 -27.121 1.00 0.00 C ATOM 1054 O LEU A 70 -13.778 40.985 -26.124 1.00 0.00 O ATOM 1055 CB LEU A 70 -14.223 38.342 -27.302 1.00 0.00 C ATOM 1056 CG LEU A 70 -14.691 37.637 -28.587 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -13.668 36.649 -29.145 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -15.968 36.858 -28.276 1.00 0.00 C ATOM 0 H LEU A 70 -12.090 38.787 -25.584 1.00 0.00 H new ATOM 0 HA LEU A 70 -12.606 39.133 -28.496 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.070 37.591 -26.527 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -15.019 39.000 -26.955 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.844 38.414 -29.336 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -14.063 36.189 -30.050 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.743 37.176 -29.380 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.466 35.876 -28.403 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -16.314 36.352 -29.177 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.764 36.120 -27.500 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -16.738 37.546 -27.928 1.00 0.00 H new ATOM 1070 N PRO A 71 -12.584 41.600 -27.940 1.00 0.00 N ATOM 1071 CA PRO A 71 -12.759 43.039 -27.733 1.00 0.00 C ATOM 1072 C PRO A 71 -14.044 43.578 -28.386 1.00 0.00 C ATOM 1073 O PRO A 71 -14.746 44.395 -27.790 1.00 0.00 O ATOM 1074 CB PRO A 71 -11.493 43.675 -28.316 1.00 0.00 C ATOM 1075 CG PRO A 71 -11.081 42.720 -29.435 1.00 0.00 C ATOM 1076 CD PRO A 71 -11.554 41.351 -28.944 1.00 0.00 C ATOM 0 HA PRO A 71 -12.883 43.281 -26.678 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -11.689 44.677 -28.698 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -10.710 43.769 -27.563 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.550 42.988 -30.382 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.003 42.736 -29.597 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.952 40.760 -29.769 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.726 40.785 -28.517 1.00 0.00 H new ATOM 1084 N GLU A 72 -14.372 43.113 -29.598 1.00 0.00 N ATOM 1085 CA GLU A 72 -15.526 43.549 -30.392 1.00 0.00 C ATOM 1086 C GLU A 72 -16.226 42.405 -31.170 1.00 0.00 C ATOM 1087 O GLU A 72 -16.298 42.447 -32.400 1.00 0.00 O ATOM 1088 CB GLU A 72 -15.092 44.730 -31.280 1.00 0.00 C ATOM 1089 CG GLU A 72 -13.941 44.478 -32.272 1.00 0.00 C ATOM 1090 CD GLU A 72 -13.798 45.662 -33.247 1.00 0.00 C ATOM 1091 OE1 GLU A 72 -14.500 45.684 -34.289 1.00 0.00 O ATOM 1092 OE2 GLU A 72 -12.979 46.579 -32.986 1.00 0.00 O ATOM 0 H GLU A 72 -13.820 42.396 -30.069 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.307 43.889 -29.712 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.961 45.063 -31.848 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.802 45.554 -30.628 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.008 44.334 -31.727 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.129 43.561 -32.830 1.00 0.00 H new ATOM 1099 N PRO A 73 -16.768 41.364 -30.500 1.00 0.00 N ATOM 1100 CA PRO A 73 -17.644 40.384 -31.154 1.00 0.00 C ATOM 1101 C PRO A 73 -18.859 41.065 -31.811 1.00 0.00 C ATOM 1102 O PRO A 73 -19.544 41.891 -31.199 1.00 0.00 O ATOM 1103 CB PRO A 73 -18.063 39.394 -30.069 1.00 0.00 C ATOM 1104 CG PRO A 73 -17.914 40.205 -28.784 1.00 0.00 C ATOM 1105 CD PRO A 73 -16.718 41.109 -29.069 1.00 0.00 C ATOM 0 HA PRO A 73 -17.126 39.871 -31.964 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -19.087 39.049 -30.212 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -17.427 38.509 -30.063 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.812 40.784 -28.568 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -17.735 39.562 -27.922 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -16.781 42.037 -28.501 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.783 40.626 -28.787 1.00 0.00 H new ATOM 1113 N LYS A 74 -19.084 40.733 -33.088 1.00 0.00 N ATOM 1114 CA LYS A 74 -19.892 41.548 -34.027 1.00 0.00 C ATOM 1115 C LYS A 74 -20.603 40.780 -35.158 1.00 0.00 C ATOM 1116 O LYS A 74 -21.060 41.409 -36.118 1.00 0.00 O ATOM 1117 CB LYS A 74 -18.986 42.670 -34.590 1.00 0.00 C ATOM 1118 CG LYS A 74 -17.929 42.167 -35.598 1.00 0.00 C ATOM 1119 CD LYS A 74 -16.754 43.142 -35.769 1.00 0.00 C ATOM 1120 CE LYS A 74 -17.148 44.432 -36.496 1.00 0.00 C ATOM 1121 NZ LYS A 74 -15.978 45.335 -36.636 1.00 0.00 N ATOM 0 H LYS A 74 -18.710 39.884 -33.511 1.00 0.00 H new ATOM 0 HA LYS A 74 -20.724 41.950 -33.449 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -19.611 43.420 -35.076 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -18.479 43.165 -33.762 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -17.548 41.201 -35.266 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -18.405 42.006 -36.565 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -16.351 43.393 -34.788 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.957 42.648 -36.324 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.548 44.192 -37.481 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -17.940 44.938 -35.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -16.284 46.237 -37.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.561 45.511 -35.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.268 44.890 -37.252 1.00 0.00 H new ATOM 1135 N LYS A 75 -20.660 39.441 -35.103 1.00 0.00 N ATOM 1136 CA LYS A 75 -21.080 38.604 -36.249 1.00 0.00 C ATOM 1137 C LYS A 75 -22.515 38.884 -36.727 1.00 0.00 C ATOM 1138 O LYS A 75 -23.401 39.220 -35.937 1.00 0.00 O ATOM 1139 CB LYS A 75 -20.838 37.101 -35.991 1.00 0.00 C ATOM 1140 CG LYS A 75 -21.756 36.449 -34.936 1.00 0.00 C ATOM 1141 CD LYS A 75 -21.710 34.911 -35.000 1.00 0.00 C ATOM 1142 CE LYS A 75 -20.350 34.304 -34.625 1.00 0.00 C ATOM 1143 NZ LYS A 75 -20.145 34.274 -33.156 1.00 0.00 N ATOM 0 H LYS A 75 -20.419 38.905 -34.269 1.00 0.00 H new ATOM 0 HA LYS A 75 -20.434 38.900 -37.076 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -20.959 36.565 -36.932 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -19.803 36.967 -35.678 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -21.456 36.779 -33.941 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -22.781 36.787 -35.089 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -22.471 34.508 -34.332 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -21.971 34.593 -36.009 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.282 33.291 -35.022 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.553 34.883 -35.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.163 34.002 -32.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -20.334 35.217 -32.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -20.794 33.582 -32.729 1.00 0.00 H new ATOM 1157 N VAL A 76 -22.739 38.708 -38.030 1.00 0.00 N ATOM 1158 CA VAL A 76 -24.072 38.771 -38.665 1.00 0.00 C ATOM 1159 C VAL A 76 -24.968 37.594 -38.244 1.00 0.00 C ATOM 1160 O VAL A 76 -24.477 36.531 -37.851 1.00 0.00 O ATOM 1161 CB VAL A 76 -23.977 38.865 -40.204 1.00 0.00 C ATOM 1162 CG1 VAL A 76 -23.290 40.169 -40.630 1.00 0.00 C ATOM 1163 CG2 VAL A 76 -23.238 37.684 -40.848 1.00 0.00 C ATOM 0 H VAL A 76 -21.989 38.513 -38.693 1.00 0.00 H new ATOM 0 HA VAL A 76 -24.539 39.688 -38.306 1.00 0.00 H new ATOM 0 HB VAL A 76 -25.007 38.842 -40.559 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -23.235 40.213 -41.718 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -23.863 41.020 -40.261 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -22.283 40.203 -40.214 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -23.210 37.818 -41.929 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -22.220 37.638 -40.462 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -23.758 36.756 -40.611 1.00 0.00 H new ATOM 1173 N LYS A 77 -26.293 37.772 -38.338 1.00 0.00 N ATOM 1174 CA LYS A 77 -27.291 36.746 -37.986 1.00 0.00 C ATOM 1175 C LYS A 77 -27.192 35.521 -38.926 1.00 0.00 C ATOM 1176 O LYS A 77 -27.155 35.715 -40.147 1.00 0.00 O ATOM 1177 CB LYS A 77 -28.693 37.385 -38.012 1.00 0.00 C ATOM 1178 CG LYS A 77 -29.786 36.450 -37.470 1.00 0.00 C ATOM 1179 CD LYS A 77 -31.163 37.125 -37.508 1.00 0.00 C ATOM 1180 CE LYS A 77 -32.233 36.163 -36.980 1.00 0.00 C ATOM 1181 NZ LYS A 77 -33.585 36.781 -37.007 1.00 0.00 N ATOM 0 H LYS A 77 -26.710 38.644 -38.665 1.00 0.00 H new ATOM 0 HA LYS A 77 -27.094 36.374 -36.980 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -28.680 38.301 -37.422 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -28.939 37.668 -39.035 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -29.811 35.534 -38.061 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -29.547 36.162 -36.446 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -31.149 38.033 -36.905 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -31.403 37.424 -38.528 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -32.235 35.254 -37.582 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -31.987 35.869 -35.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -34.284 36.103 -36.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -33.589 37.634 -36.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -33.829 37.039 -37.984 1.00 0.00 H new ATOM 1195 N PRO A 78 -27.163 34.276 -38.407 1.00 0.00 N ATOM 1196 CA PRO A 78 -27.093 33.064 -39.230 1.00 0.00 C ATOM 1197 C PRO A 78 -28.419 32.773 -39.975 1.00 0.00 C ATOM 1198 O PRO A 78 -29.480 33.243 -39.552 1.00 0.00 O ATOM 1199 CB PRO A 78 -26.709 31.943 -38.258 1.00 0.00 C ATOM 1200 CG PRO A 78 -27.310 32.407 -36.932 1.00 0.00 C ATOM 1201 CD PRO A 78 -27.138 33.922 -36.993 1.00 0.00 C ATOM 0 HA PRO A 78 -26.361 33.168 -40.031 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -27.118 30.982 -38.571 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -25.628 31.823 -38.190 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -28.358 32.123 -36.842 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -26.788 31.975 -36.078 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -27.937 34.427 -36.451 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -26.198 34.226 -36.532 1.00 0.00 H new ATOM 1209 N PRO A 79 -28.393 31.976 -41.064 1.00 0.00 N ATOM 1210 CA PRO A 79 -29.572 31.682 -41.892 1.00 0.00 C ATOM 1211 C PRO A 79 -30.526 30.619 -41.302 1.00 0.00 C ATOM 1212 O PRO A 79 -31.603 30.386 -41.862 1.00 0.00 O ATOM 1213 CB PRO A 79 -28.987 31.230 -43.237 1.00 0.00 C ATOM 1214 CG PRO A 79 -27.688 30.536 -42.831 1.00 0.00 C ATOM 1215 CD PRO A 79 -27.198 31.401 -41.671 1.00 0.00 C ATOM 0 HA PRO A 79 -30.209 32.563 -41.969 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -29.660 30.552 -43.762 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -28.803 32.074 -43.901 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -27.858 29.504 -42.524 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -26.969 30.510 -43.650 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -26.642 30.805 -40.948 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -26.525 32.183 -42.024 1.00 0.00 H new ATOM 1223 N ARG A 80 -30.138 29.957 -40.201 1.00 0.00 N ATOM 1224 CA ARG A 80 -30.892 28.878 -39.528 1.00 0.00 C ATOM 1225 C ARG A 80 -32.225 29.333 -38.906 1.00 0.00 C ATOM 1226 O ARG A 80 -32.311 30.474 -38.392 1.00 0.00 O ATOM 1227 CB ARG A 80 -29.982 28.155 -38.515 1.00 0.00 C ATOM 1228 CG ARG A 80 -29.573 29.015 -37.306 1.00 0.00 C ATOM 1229 CD ARG A 80 -28.517 28.302 -36.453 1.00 0.00 C ATOM 1230 NE ARG A 80 -28.088 29.140 -35.317 1.00 0.00 N ATOM 1231 CZ ARG A 80 -26.883 29.191 -34.779 1.00 0.00 C ATOM 1232 NH1 ARG A 80 -25.890 28.462 -35.190 1.00 0.00 N ATOM 1233 NH2 ARG A 80 -26.621 29.996 -33.796 1.00 0.00 N ATOM 1234 OXT ARG A 80 -33.185 28.529 -38.928 1.00 0.00 O ATOM 0 H ARG A 80 -29.256 30.164 -39.733 1.00 0.00 H new ATOM 0 HA ARG A 80 -31.191 28.169 -40.300 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -30.495 27.263 -38.155 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -29.081 27.819 -39.029 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -29.180 29.971 -37.652 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -30.450 29.232 -36.697 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -28.922 27.361 -36.081 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -27.654 28.055 -37.071 1.00 0.00 H new ATOM 0 HE ARG A 80 -28.798 29.744 -34.903 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -26.021 27.811 -35.964 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -24.979 28.541 -34.739 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -27.352 30.604 -33.426 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -25.684 30.021 -33.393 1.00 0.00 H new TER 1248 ARG A 80