USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 602 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 Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 120:sc= -3.52! USER MOD Single : A 15 CYS SG : rot 44:sc= -0.0646 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 30 MET CE :methyl -161:sc= -3.05! (180deg=-3.4) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 34 CYS SG : rot -27:sc= -2.63! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -20:sc= 0.457 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.672 K(o=-0.67,f=-6.1!) USER MOD Single : A 73 GLN : amide:sc= -0.407 X(o=-0.41,f=0) USER MOD Single : A 74 MET CE :methyl 141:sc=-0.00491 (180deg=-0.743) USER MOD Single : A 75 CYS SG : rot 73:sc= -1.8 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.455 USER MOD Single : A 88 SER OG : rot 80:sc= -0.184 USER MOD Single : A 92 TYR OH : rot 9:sc= 0.0646 USER MOD Single : A 93 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.034) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -1.88 X(o=-1.9,f=-1.6!) USER MOD Single : A 99 THR OG1 : rot -160:sc= -1.3 USER MOD Single : A 100 TYR OH : rot -116:sc= 0.779 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 6 -11.843 -17.045 -5.752 1.00 0.00 N ATOM 75 CA LYS A 6 -11.131 -15.782 -5.591 1.00 0.00 C ATOM 76 C LYS A 6 -9.654 -15.957 -5.939 1.00 0.00 C ATOM 77 O LYS A 6 -9.032 -16.948 -5.560 1.00 0.00 O ATOM 78 CB LYS A 6 -11.282 -15.264 -4.156 1.00 0.00 C ATOM 79 CG LYS A 6 -12.686 -15.419 -3.590 1.00 0.00 C ATOM 80 CD LYS A 6 -13.452 -14.107 -3.632 1.00 0.00 C ATOM 81 CE LYS A 6 -14.405 -13.979 -2.455 1.00 0.00 C ATOM 82 NZ LYS A 6 -15.617 -13.187 -2.803 1.00 0.00 N ATOM 0 HA LYS A 6 -11.564 -15.050 -6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.581 -15.795 -3.513 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.004 -14.210 -4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.227 -16.176 -4.158 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.627 -15.774 -2.561 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.749 -13.274 -3.624 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.013 -14.042 -4.564 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.704 -14.972 -2.121 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.889 -13.504 -1.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -16.240 -13.124 -1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -15.334 -12.230 -3.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -16.124 -13.653 -3.582 1.00 0.00 H new ATOM 96 N ILE A 7 -9.102 -14.996 -6.675 1.00 0.00 N ATOM 97 CA ILE A 7 -7.702 -15.058 -7.085 1.00 0.00 C ATOM 98 C ILE A 7 -6.758 -14.707 -5.941 1.00 0.00 C ATOM 99 O ILE A 7 -5.593 -15.102 -5.945 1.00 0.00 O ATOM 100 CB ILE A 7 -7.416 -14.116 -8.268 1.00 0.00 C ATOM 101 CG1 ILE A 7 -7.876 -12.691 -7.946 1.00 0.00 C ATOM 102 CG2 ILE A 7 -8.097 -14.629 -9.526 1.00 0.00 C ATOM 103 CD1 ILE A 7 -6.743 -11.687 -7.914 1.00 0.00 C ATOM 0 H ILE A 7 -9.601 -14.167 -6.999 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.523 -16.089 -7.391 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.340 -14.094 -8.442 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.609 -12.377 -8.689 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.381 -12.689 -6.980 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.887 -13.953 -10.355 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.720 -15.624 -9.764 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.174 -14.678 -9.363 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.139 -10.699 -7.680 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.020 -11.978 -7.151 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.253 -11.661 -8.887 1.00 0.00 H new ATOM 115 N PHE A 8 -7.262 -13.964 -4.964 1.00 0.00 N ATOM 116 CA PHE A 8 -6.451 -13.566 -3.821 1.00 0.00 C ATOM 117 C PHE A 8 -6.621 -14.554 -2.671 1.00 0.00 C ATOM 118 O PHE A 8 -5.640 -15.011 -2.084 1.00 0.00 O ATOM 119 CB PHE A 8 -6.831 -12.153 -3.366 1.00 0.00 C ATOM 120 CG PHE A 8 -6.420 -11.061 -4.321 1.00 0.00 C ATOM 121 CD1 PHE A 8 -5.325 -11.218 -5.161 1.00 0.00 C ATOM 122 CD2 PHE A 8 -7.131 -9.873 -4.373 1.00 0.00 C ATOM 123 CE1 PHE A 8 -4.952 -10.211 -6.031 1.00 0.00 C ATOM 124 CE2 PHE A 8 -6.762 -8.863 -5.241 1.00 0.00 C ATOM 125 CZ PHE A 8 -5.671 -9.033 -6.070 1.00 0.00 C ATOM 0 H PHE A 8 -8.224 -13.626 -4.940 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.404 -13.568 -4.125 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.911 -12.108 -3.224 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.374 -11.961 -2.395 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.759 -12.137 -5.134 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.985 -9.734 -3.727 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.099 -10.345 -6.680 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.326 -7.942 -5.271 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.380 -8.245 -6.749 1.00 0.00 H new ATOM 135 N ARG A 9 -7.870 -14.888 -2.361 1.00 0.00 N ATOM 136 CA ARG A 9 -8.175 -15.831 -1.287 1.00 0.00 C ATOM 137 C ARG A 9 -7.359 -15.528 -0.034 1.00 0.00 C ATOM 138 O ARG A 9 -6.245 -16.024 0.129 1.00 0.00 O ATOM 139 CB ARG A 9 -7.907 -17.263 -1.750 1.00 0.00 C ATOM 140 CG ARG A 9 -8.239 -18.313 -0.702 1.00 0.00 C ATOM 141 CD ARG A 9 -7.701 -19.680 -1.095 1.00 0.00 C ATOM 142 NE ARG A 9 -8.426 -20.764 -0.437 1.00 0.00 N ATOM 143 CZ ARG A 9 -7.982 -22.017 -0.365 1.00 0.00 C ATOM 144 NH1 ARG A 9 -6.817 -22.347 -0.909 1.00 0.00 N ATOM 145 NH2 ARG A 9 -8.705 -22.942 0.251 1.00 0.00 N ATOM 0 H ARG A 9 -8.691 -14.518 -2.840 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.231 -15.724 -1.038 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.491 -17.461 -2.649 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.857 -17.356 -2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.817 -18.017 0.258 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.320 -18.370 -0.571 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.772 -19.800 -2.176 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.644 -19.742 -0.836 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.326 -20.548 -0.007 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.258 -21.639 -1.385 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.481 -23.308 -0.851 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.601 -22.694 0.670 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.365 -23.902 0.306 1.00 0.00 H new ATOM 159 N GLY A 10 -7.919 -14.705 0.842 1.00 0.00 N ATOM 160 CA GLY A 10 -7.227 -14.344 2.065 1.00 0.00 C ATOM 161 C GLY A 10 -6.130 -13.332 1.816 1.00 0.00 C ATOM 162 O GLY A 10 -4.949 -13.676 1.789 1.00 0.00 O ATOM 0 H GLY A 10 -8.840 -14.281 0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.942 -13.936 2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.799 -15.239 2.518 1.00 0.00 H new ATOM 166 N LEU A 11 -6.526 -12.083 1.622 1.00 0.00 N ATOM 167 CA LEU A 11 -5.577 -11.009 1.358 1.00 0.00 C ATOM 168 C LEU A 11 -6.056 -9.694 1.966 1.00 0.00 C ATOM 169 O LEU A 11 -7.233 -9.542 2.288 1.00 0.00 O ATOM 170 CB LEU A 11 -5.381 -10.848 -0.151 1.00 0.00 C ATOM 171 CG LEU A 11 -3.947 -11.039 -0.648 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.937 -11.726 -2.004 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.234 -9.701 -0.725 1.00 0.00 C ATOM 0 H LEU A 11 -7.502 -11.786 1.642 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.625 -11.271 1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.024 -11.564 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.719 -9.853 -0.441 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.418 -11.675 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.908 -11.853 -2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.414 -12.702 -1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.482 -11.116 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.215 -9.852 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.765 -9.045 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.210 -9.244 0.264 1.00 0.00 H new ATOM 185 N GLU A 12 -5.136 -8.749 2.113 1.00 0.00 N ATOM 186 CA GLU A 12 -5.460 -7.443 2.672 1.00 0.00 C ATOM 187 C GLU A 12 -4.710 -6.346 1.926 1.00 0.00 C ATOM 188 O GLU A 12 -3.490 -6.231 2.036 1.00 0.00 O ATOM 189 CB GLU A 12 -5.116 -7.402 4.163 1.00 0.00 C ATOM 190 CG GLU A 12 -6.337 -7.431 5.067 1.00 0.00 C ATOM 191 CD GLU A 12 -5.994 -7.163 6.520 1.00 0.00 C ATOM 192 OE1 GLU A 12 -5.330 -8.019 7.141 1.00 0.00 O ATOM 193 OE2 GLU A 12 -6.388 -6.096 7.036 1.00 0.00 O ATOM 0 H GLU A 12 -4.157 -8.863 1.852 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.530 -7.272 2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.475 -8.250 4.404 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.541 -6.499 4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.056 -6.687 4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.822 -8.404 4.986 1.00 0.00 H new ATOM 200 N ILE A 13 -5.443 -5.547 1.156 1.00 0.00 N ATOM 201 CA ILE A 13 -4.837 -4.469 0.381 1.00 0.00 C ATOM 202 C ILE A 13 -5.417 -3.111 0.757 1.00 0.00 C ATOM 203 O ILE A 13 -6.635 -2.935 0.811 1.00 0.00 O ATOM 204 CB ILE A 13 -5.032 -4.694 -1.131 1.00 0.00 C ATOM 205 CG1 ILE A 13 -4.625 -6.117 -1.518 1.00 0.00 C ATOM 206 CG2 ILE A 13 -4.234 -3.675 -1.928 1.00 0.00 C ATOM 207 CD1 ILE A 13 -5.706 -6.868 -2.261 1.00 0.00 C ATOM 0 H ILE A 13 -6.455 -5.625 1.052 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.773 -4.477 0.616 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.088 -4.563 -1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.730 -6.075 -2.138 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.362 -6.670 -0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.383 -3.849 -2.994 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.570 -2.670 -1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.175 -3.775 -1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.351 -7.869 -2.505 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.595 -6.941 -1.634 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.952 -6.336 -3.180 1.00 0.00 H new ATOM 219 N CYS A 14 -4.535 -2.149 1.014 1.00 0.00 N ATOM 220 CA CYS A 14 -4.955 -0.802 1.380 1.00 0.00 C ATOM 221 C CYS A 14 -4.542 0.211 0.318 1.00 0.00 C ATOM 222 O CYS A 14 -3.437 0.149 -0.221 1.00 0.00 O ATOM 223 CB CYS A 14 -4.363 -0.411 2.735 1.00 0.00 C ATOM 224 SG CYS A 14 -2.570 -0.179 2.726 1.00 0.00 S ATOM 0 H CYS A 14 -3.524 -2.279 0.975 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.043 -0.797 1.451 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.835 0.512 3.072 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.614 -1.182 3.464 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.288 1.039 3.082 1.00 0.00 H new ATOM 230 N CYS A 15 -5.439 1.148 0.028 1.00 0.00 N ATOM 231 CA CYS A 15 -5.173 2.182 -0.965 1.00 0.00 C ATOM 232 C CYS A 15 -4.934 3.527 -0.288 1.00 0.00 C ATOM 233 O CYS A 15 -5.861 4.139 0.243 1.00 0.00 O ATOM 234 CB CYS A 15 -6.341 2.289 -1.945 1.00 0.00 C ATOM 235 SG CYS A 15 -7.958 2.451 -1.151 1.00 0.00 S ATOM 0 H CYS A 15 -6.357 1.212 0.467 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.274 1.905 -1.516 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.179 3.149 -2.594 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -6.348 1.405 -2.583 1.00 0.00 H new ATOM 0 HG CYS A 15 -7.876 3.297 -0.168 1.00 0.00 H new ATOM 241 N TYR A 16 -3.684 3.980 -0.305 1.00 0.00 N ATOM 242 CA TYR A 16 -3.324 5.251 0.314 1.00 0.00 C ATOM 243 C TYR A 16 -3.354 6.385 -0.705 1.00 0.00 C ATOM 244 O TYR A 16 -2.624 6.366 -1.695 1.00 0.00 O ATOM 245 CB TYR A 16 -1.933 5.156 0.944 1.00 0.00 C ATOM 246 CG TYR A 16 -1.755 6.037 2.159 1.00 0.00 C ATOM 247 CD1 TYR A 16 -2.179 7.360 2.151 1.00 0.00 C ATOM 248 CD2 TYR A 16 -1.164 5.546 3.316 1.00 0.00 C ATOM 249 CE1 TYR A 16 -2.019 8.167 3.260 1.00 0.00 C ATOM 250 CE2 TYR A 16 -1.001 6.347 4.430 1.00 0.00 C ATOM 251 CZ TYR A 16 -1.429 7.657 4.397 1.00 0.00 C ATOM 252 OH TYR A 16 -1.268 8.459 5.504 1.00 0.00 O ATOM 0 H TYR A 16 -2.905 3.487 -0.740 1.00 0.00 H new ATOM 0 HA TYR A 16 -4.057 5.467 1.091 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.741 4.121 1.226 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.186 5.427 0.197 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.641 7.764 1.263 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.826 4.521 3.345 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.355 9.193 3.237 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.541 5.949 5.322 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.837 7.946 6.219 1.00 0.00 H new ATOM 262 N GLY A 17 -4.204 7.377 -0.451 1.00 0.00 N ATOM 263 CA GLY A 17 -4.312 8.510 -1.351 1.00 0.00 C ATOM 264 C GLY A 17 -5.558 8.452 -2.214 1.00 0.00 C ATOM 265 O GLY A 17 -6.216 7.414 -2.292 1.00 0.00 O ATOM 0 H GLY A 17 -4.819 7.415 0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.320 9.432 -0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.431 8.545 -1.992 1.00 0.00 H new ATOM 269 N PRO A 18 -5.912 9.567 -2.878 1.00 0.00 N ATOM 270 CA PRO A 18 -7.092 9.637 -3.739 1.00 0.00 C ATOM 271 C PRO A 18 -6.829 9.104 -5.146 1.00 0.00 C ATOM 272 O PRO A 18 -7.759 8.922 -5.931 1.00 0.00 O ATOM 273 CB PRO A 18 -7.378 11.135 -3.785 1.00 0.00 C ATOM 274 CG PRO A 18 -6.034 11.771 -3.683 1.00 0.00 C ATOM 275 CD PRO A 18 -5.189 10.852 -2.837 1.00 0.00 C ATOM 0 HA PRO A 18 -7.915 9.029 -3.362 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.881 11.415 -4.710 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.026 11.441 -2.964 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.592 11.905 -4.670 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.106 12.759 -3.229 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.180 10.756 -3.238 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.093 11.224 -1.817 1.00 0.00 H new ATOM 283 N PHE A 19 -5.558 8.861 -5.461 1.00 0.00 N ATOM 284 CA PHE A 19 -5.176 8.356 -6.776 1.00 0.00 C ATOM 285 C PHE A 19 -5.534 9.358 -7.871 1.00 0.00 C ATOM 286 O PHE A 19 -4.681 10.113 -8.336 1.00 0.00 O ATOM 287 CB PHE A 19 -5.852 7.009 -7.053 1.00 0.00 C ATOM 288 CG PHE A 19 -5.309 5.881 -6.222 1.00 0.00 C ATOM 289 CD1 PHE A 19 -5.372 5.931 -4.839 1.00 0.00 C ATOM 290 CD2 PHE A 19 -4.737 4.771 -6.824 1.00 0.00 C ATOM 291 CE1 PHE A 19 -4.874 4.895 -4.072 1.00 0.00 C ATOM 292 CE2 PHE A 19 -4.238 3.732 -6.061 1.00 0.00 C ATOM 293 CZ PHE A 19 -4.307 3.795 -4.683 1.00 0.00 C ATOM 0 H PHE A 19 -4.776 9.006 -4.822 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.095 8.214 -6.780 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.922 7.104 -6.867 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.733 6.762 -8.108 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.815 6.789 -4.355 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.681 4.717 -7.901 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.928 4.946 -2.995 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.795 2.872 -6.542 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.918 2.985 -4.084 1.00 0.00 H new ATOM 376 N ASP A 25 -12.845 3.507 -2.424 1.00 0.00 N ATOM 377 CA ASP A 25 -13.876 2.521 -2.127 1.00 0.00 C ATOM 378 C ASP A 25 -14.111 1.618 -3.329 1.00 0.00 C ATOM 379 O ASP A 25 -14.557 0.478 -3.190 1.00 0.00 O ATOM 380 CB ASP A 25 -15.180 3.212 -1.728 1.00 0.00 C ATOM 381 CG ASP A 25 -16.214 2.237 -1.200 1.00 0.00 C ATOM 382 OD1 ASP A 25 -16.806 1.500 -2.017 1.00 0.00 O ATOM 383 OD2 ASP A 25 -16.431 2.209 0.030 1.00 0.00 O ATOM 0 HA ASP A 25 -13.534 1.911 -1.291 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -14.971 3.963 -0.967 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -15.588 3.738 -2.591 1.00 0.00 H new ATOM 388 N GLN A 26 -13.802 2.135 -4.511 1.00 0.00 N ATOM 389 CA GLN A 26 -13.970 1.382 -5.742 1.00 0.00 C ATOM 390 C GLN A 26 -12.811 0.412 -5.934 1.00 0.00 C ATOM 391 O GLN A 26 -12.978 -0.666 -6.502 1.00 0.00 O ATOM 392 CB GLN A 26 -14.063 2.340 -6.929 1.00 0.00 C ATOM 393 CG GLN A 26 -15.121 1.951 -7.945 1.00 0.00 C ATOM 394 CD GLN A 26 -14.711 2.275 -9.369 1.00 0.00 C ATOM 395 OE1 GLN A 26 -14.946 1.492 -10.289 1.00 0.00 O ATOM 396 NE2 GLN A 26 -14.092 3.436 -9.557 1.00 0.00 N ATOM 0 H GLN A 26 -13.432 3.077 -4.641 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.893 0.806 -5.679 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -14.278 3.343 -6.559 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -13.094 2.384 -7.426 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.322 0.883 -7.863 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.051 2.470 -7.712 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.917 4.055 -8.765 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.792 3.708 -10.493 1.00 0.00 H new ATOM 405 N LEU A 27 -11.638 0.801 -5.446 1.00 0.00 N ATOM 406 CA LEU A 27 -10.452 -0.035 -5.554 1.00 0.00 C ATOM 407 C LEU A 27 -10.513 -1.175 -4.547 1.00 0.00 C ATOM 408 O LEU A 27 -10.218 -2.324 -4.877 1.00 0.00 O ATOM 409 CB LEU A 27 -9.188 0.797 -5.330 1.00 0.00 C ATOM 410 CG LEU A 27 -7.872 0.063 -5.595 1.00 0.00 C ATOM 411 CD1 LEU A 27 -7.739 -0.273 -7.072 1.00 0.00 C ATOM 412 CD2 LEU A 27 -6.691 0.900 -5.127 1.00 0.00 C ATOM 0 H LEU A 27 -11.485 1.691 -4.972 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.419 -0.456 -6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.232 1.676 -5.973 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.185 1.155 -4.301 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.876 -0.869 -5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.797 -0.795 -7.243 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.568 -0.912 -7.376 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.756 0.646 -7.657 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.763 0.362 -5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.681 1.848 -5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.781 1.090 -4.057 1.00 0.00 H new ATOM 424 N GLU A 28 -10.905 -0.855 -3.319 1.00 0.00 N ATOM 425 CA GLU A 28 -11.013 -1.862 -2.273 1.00 0.00 C ATOM 426 C GLU A 28 -12.110 -2.865 -2.612 1.00 0.00 C ATOM 427 O GLU A 28 -12.056 -4.025 -2.204 1.00 0.00 O ATOM 428 CB GLU A 28 -11.283 -1.208 -0.920 1.00 0.00 C ATOM 429 CG GLU A 28 -12.515 -0.320 -0.902 1.00 0.00 C ATOM 430 CD GLU A 28 -13.629 -0.881 -0.040 1.00 0.00 C ATOM 431 OE1 GLU A 28 -14.434 -1.685 -0.559 1.00 0.00 O ATOM 432 OE2 GLU A 28 -13.698 -0.518 1.152 1.00 0.00 O ATOM 0 H GLU A 28 -11.152 0.090 -3.025 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.064 -2.395 -2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.398 -1.988 -0.167 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.415 -0.614 -0.634 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.240 0.669 -0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.880 -0.191 -1.921 1.00 0.00 H new ATOM 439 N TRP A 29 -13.099 -2.415 -3.376 1.00 0.00 N ATOM 440 CA TRP A 29 -14.198 -3.275 -3.790 1.00 0.00 C ATOM 441 C TRP A 29 -13.683 -4.344 -4.744 1.00 0.00 C ATOM 442 O TRP A 29 -13.909 -5.538 -4.545 1.00 0.00 O ATOM 443 CB TRP A 29 -15.282 -2.424 -4.461 1.00 0.00 C ATOM 444 CG TRP A 29 -16.251 -3.203 -5.298 1.00 0.00 C ATOM 445 CD1 TRP A 29 -17.135 -4.139 -4.857 1.00 0.00 C ATOM 446 CD2 TRP A 29 -16.432 -3.110 -6.715 1.00 0.00 C ATOM 447 NE1 TRP A 29 -17.867 -4.630 -5.911 1.00 0.00 N ATOM 448 CE2 TRP A 29 -17.453 -4.016 -7.064 1.00 0.00 C ATOM 449 CE3 TRP A 29 -15.834 -2.349 -7.723 1.00 0.00 C ATOM 450 CZ2 TRP A 29 -17.888 -4.177 -8.377 1.00 0.00 C ATOM 451 CZ3 TRP A 29 -16.266 -2.511 -9.026 1.00 0.00 C ATOM 452 CH2 TRP A 29 -17.285 -3.418 -9.342 1.00 0.00 C ATOM 0 H TRP A 29 -13.161 -1.457 -3.721 1.00 0.00 H new ATOM 0 HA TRP A 29 -14.629 -3.770 -2.920 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -15.836 -1.888 -3.690 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -14.801 -1.673 -5.088 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -17.245 -4.450 -3.829 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -18.600 -5.337 -5.846 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -15.048 -1.647 -7.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -18.673 -4.876 -8.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -15.810 -1.929 -9.813 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -17.602 -3.520 -10.369 1.00 0.00 H new ATOM 463 N MET A 30 -12.981 -3.899 -5.773 1.00 0.00 N ATOM 464 CA MET A 30 -12.410 -4.802 -6.764 1.00 0.00 C ATOM 465 C MET A 30 -11.532 -5.852 -6.091 1.00 0.00 C ATOM 466 O MET A 30 -11.697 -7.050 -6.328 1.00 0.00 O ATOM 467 CB MET A 30 -11.599 -4.016 -7.793 1.00 0.00 C ATOM 468 CG MET A 30 -12.413 -2.975 -8.547 1.00 0.00 C ATOM 469 SD MET A 30 -11.991 -2.898 -10.299 1.00 0.00 S ATOM 470 CE MET A 30 -10.224 -2.620 -10.211 1.00 0.00 C ATOM 0 H MET A 30 -12.791 -2.912 -5.946 1.00 0.00 H new ATOM 0 HA MET A 30 -13.227 -5.311 -7.276 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.770 -3.520 -7.288 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.164 -4.713 -8.509 1.00 0.00 H new ATOM 0 HG2 MET A 30 -13.474 -3.203 -8.443 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.252 -1.996 -8.095 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.871 -2.220 -11.161 1.00 0.00 H new ATOM 0 HE2 MET A 30 -10.007 -1.908 -9.415 1.00 0.00 H new ATOM 0 HE3 MET A 30 -9.717 -3.562 -10.003 1.00 0.00 H new ATOM 480 N VAL A 31 -10.609 -5.409 -5.234 1.00 0.00 N ATOM 481 CA VAL A 31 -9.739 -6.342 -4.526 1.00 0.00 C ATOM 482 C VAL A 31 -10.584 -7.301 -3.703 1.00 0.00 C ATOM 483 O VAL A 31 -10.370 -8.513 -3.720 1.00 0.00 O ATOM 484 CB VAL A 31 -8.741 -5.625 -3.596 1.00 0.00 C ATOM 485 CG1 VAL A 31 -7.744 -4.803 -4.399 1.00 0.00 C ATOM 486 CG2 VAL A 31 -9.470 -4.748 -2.597 1.00 0.00 C ATOM 0 H VAL A 31 -10.448 -4.425 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.164 -6.882 -5.278 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.189 -6.387 -3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.051 -4.307 -3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.188 -5.459 -5.070 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.278 -4.054 -4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.745 -4.252 -1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.054 -3.998 -3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.135 -5.363 -1.991 1.00 0.00 H new ATOM 496 N GLN A 32 -11.571 -6.744 -3.007 1.00 0.00 N ATOM 497 CA GLN A 32 -12.485 -7.540 -2.200 1.00 0.00 C ATOM 498 C GLN A 32 -13.159 -8.586 -3.078 1.00 0.00 C ATOM 499 O GLN A 32 -13.447 -9.701 -2.642 1.00 0.00 O ATOM 500 CB GLN A 32 -13.537 -6.635 -1.549 1.00 0.00 C ATOM 501 CG GLN A 32 -13.323 -6.422 -0.060 1.00 0.00 C ATOM 502 CD GLN A 32 -14.530 -6.820 0.769 1.00 0.00 C ATOM 503 OE1 GLN A 32 -15.034 -7.938 0.656 1.00 0.00 O ATOM 504 NE2 GLN A 32 -14.999 -5.903 1.607 1.00 0.00 N ATOM 0 H GLN A 32 -11.757 -5.741 -2.987 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.925 -8.043 -1.411 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.531 -5.667 -2.050 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -14.524 -7.069 -1.707 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -12.458 -7.000 0.265 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -13.092 -5.373 0.123 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.549 -4.990 1.667 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -15.809 -6.112 2.191 1.00 0.00 H new ATOM 513 N LEU A 33 -13.394 -8.205 -4.329 1.00 0.00 N ATOM 514 CA LEU A 33 -14.019 -9.079 -5.310 1.00 0.00 C ATOM 515 C LEU A 33 -13.074 -10.210 -5.718 1.00 0.00 C ATOM 516 O LEU A 33 -13.510 -11.246 -6.221 1.00 0.00 O ATOM 517 CB LEU A 33 -14.431 -8.262 -6.538 1.00 0.00 C ATOM 518 CG LEU A 33 -15.936 -8.040 -6.693 1.00 0.00 C ATOM 519 CD1 LEU A 33 -16.690 -9.354 -6.558 1.00 0.00 C ATOM 520 CD2 LEU A 33 -16.429 -7.038 -5.664 1.00 0.00 C ATOM 0 H LEU A 33 -13.156 -7.281 -4.690 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.905 -9.528 -4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.939 -7.291 -6.491 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.059 -8.765 -7.431 1.00 0.00 H new ATOM 0 HG LEU A 33 -16.124 -7.639 -7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.759 -9.173 -6.671 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.355 -10.047 -7.330 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.497 -9.785 -5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -17.502 -6.889 -5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -16.226 -7.416 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -15.913 -6.088 -5.805 1.00 0.00 H new ATOM 532 N CYS A 34 -11.777 -9.998 -5.509 1.00 0.00 N ATOM 533 CA CYS A 34 -10.765 -10.988 -5.866 1.00 0.00 C ATOM 534 C CYS A 34 -10.424 -11.900 -4.687 1.00 0.00 C ATOM 535 O CYS A 34 -9.629 -12.829 -4.829 1.00 0.00 O ATOM 536 CB CYS A 34 -9.500 -10.290 -6.365 1.00 0.00 C ATOM 537 SG CYS A 34 -9.511 -9.920 -8.135 1.00 0.00 S ATOM 0 H CYS A 34 -11.401 -9.146 -5.093 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.177 -11.609 -6.661 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.368 -9.360 -5.811 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -8.638 -10.919 -6.141 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.266 -10.779 -8.753 1.00 0.00 H new ATOM 543 N GLY A 35 -11.019 -11.635 -3.526 1.00 0.00 N ATOM 544 CA GLY A 35 -10.756 -12.451 -2.354 1.00 0.00 C ATOM 545 C GLY A 35 -10.051 -11.687 -1.251 1.00 0.00 C ATOM 546 O GLY A 35 -10.051 -12.112 -0.095 1.00 0.00 O ATOM 0 H GLY A 35 -11.678 -10.871 -3.377 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.698 -12.844 -1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.147 -13.308 -2.643 1.00 0.00 H new ATOM 550 N ALA A 36 -9.447 -10.558 -1.604 1.00 0.00 N ATOM 551 CA ALA A 36 -8.734 -9.737 -0.635 1.00 0.00 C ATOM 552 C ALA A 36 -9.700 -9.013 0.293 1.00 0.00 C ATOM 553 O ALA A 36 -10.917 -9.126 0.155 1.00 0.00 O ATOM 554 CB ALA A 36 -7.840 -8.738 -1.351 1.00 0.00 C ATOM 0 H ALA A 36 -9.437 -10.191 -2.556 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.115 -10.395 -0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.312 -8.130 -0.616 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.117 -9.273 -1.966 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.449 -8.094 -1.985 1.00 0.00 H new ATOM 560 N SER A 37 -9.142 -8.271 1.241 1.00 0.00 N ATOM 561 CA SER A 37 -9.940 -7.521 2.199 1.00 0.00 C ATOM 562 C SER A 37 -9.435 -6.086 2.310 1.00 0.00 C ATOM 563 O SER A 37 -8.229 -5.842 2.321 1.00 0.00 O ATOM 564 CB SER A 37 -9.901 -8.200 3.571 1.00 0.00 C ATOM 565 OG SER A 37 -11.208 -8.493 4.033 1.00 0.00 O ATOM 0 H SER A 37 -8.134 -8.173 1.366 1.00 0.00 H new ATOM 0 HA SER A 37 -10.971 -7.500 1.846 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.319 -9.120 3.508 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.396 -7.552 4.287 1.00 0.00 H new ATOM 0 HG SER A 37 -11.155 -8.928 4.910 1.00 0.00 H new ATOM 571 N VAL A 38 -10.365 -5.141 2.391 1.00 0.00 N ATOM 572 CA VAL A 38 -10.010 -3.731 2.498 1.00 0.00 C ATOM 573 C VAL A 38 -9.438 -3.414 3.875 1.00 0.00 C ATOM 574 O VAL A 38 -10.083 -3.653 4.896 1.00 0.00 O ATOM 575 CB VAL A 38 -11.229 -2.827 2.227 1.00 0.00 C ATOM 576 CG1 VAL A 38 -12.304 -3.036 3.283 1.00 0.00 C ATOM 577 CG2 VAL A 38 -10.809 -1.367 2.165 1.00 0.00 C ATOM 0 H VAL A 38 -11.368 -5.325 2.385 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.249 -3.532 1.743 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.649 -3.103 1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.154 -2.387 3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.629 -4.076 3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.900 -2.794 4.266 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -11.683 -0.745 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.359 -1.077 3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.083 -1.231 1.363 1.00 0.00 H new ATOM 587 N VAL A 39 -8.221 -2.881 3.898 1.00 0.00 N ATOM 588 CA VAL A 39 -7.561 -2.538 5.152 1.00 0.00 C ATOM 589 C VAL A 39 -7.804 -1.077 5.517 1.00 0.00 C ATOM 590 O VAL A 39 -7.626 -0.183 4.689 1.00 0.00 O ATOM 591 CB VAL A 39 -6.042 -2.791 5.075 1.00 0.00 C ATOM 592 CG1 VAL A 39 -5.453 -2.967 6.463 1.00 0.00 C ATOM 593 CG2 VAL A 39 -5.734 -4.002 4.203 1.00 0.00 C ATOM 0 H VAL A 39 -7.672 -2.677 3.063 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.990 -3.179 5.922 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.580 -1.917 4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.380 -3.144 6.383 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.629 -2.066 7.050 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.926 -3.818 6.954 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.656 -4.159 4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.214 -4.885 4.624 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.111 -3.830 3.195 1.00 0.00 H new ATOM 603 N LYS A 40 -8.211 -0.841 6.759 1.00 0.00 N ATOM 604 CA LYS A 40 -8.480 0.513 7.231 1.00 0.00 C ATOM 605 C LYS A 40 -7.204 1.346 7.255 1.00 0.00 C ATOM 606 O LYS A 40 -7.204 2.512 6.861 1.00 0.00 O ATOM 607 CB LYS A 40 -9.105 0.475 8.627 1.00 0.00 C ATOM 608 CG LYS A 40 -10.165 1.543 8.847 1.00 0.00 C ATOM 609 CD LYS A 40 -11.447 1.218 8.097 1.00 0.00 C ATOM 610 CE LYS A 40 -12.588 2.128 8.523 1.00 0.00 C ATOM 611 NZ LYS A 40 -12.736 3.297 7.612 1.00 0.00 N ATOM 0 H LYS A 40 -8.362 -1.569 7.457 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.182 0.978 6.539 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.550 -0.506 8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.318 0.596 9.372 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.378 1.632 9.912 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.784 2.509 8.516 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.279 1.321 7.025 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.722 0.179 8.278 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.518 1.560 8.539 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.412 2.480 9.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.524 3.893 7.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.857 3.853 7.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.930 2.962 6.647 1.00 0.00 H new ATOM 625 N GLU A 41 -6.120 0.738 7.718 1.00 0.00 N ATOM 626 CA GLU A 41 -4.833 1.421 7.797 1.00 0.00 C ATOM 627 C GLU A 41 -3.684 0.443 7.577 1.00 0.00 C ATOM 628 O GLU A 41 -3.901 -0.749 7.359 1.00 0.00 O ATOM 629 CB GLU A 41 -4.679 2.110 9.153 1.00 0.00 C ATOM 630 CG GLU A 41 -5.337 3.478 9.220 1.00 0.00 C ATOM 631 CD GLU A 41 -4.462 4.575 8.646 1.00 0.00 C ATOM 632 OE1 GLU A 41 -3.722 4.299 7.679 1.00 0.00 O ATOM 633 OE2 GLU A 41 -4.516 5.710 9.164 1.00 0.00 O ATOM 0 H GLU A 41 -6.105 -0.228 8.045 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.801 2.174 7.010 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.108 1.472 9.926 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.618 2.215 9.379 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.281 3.450 8.676 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.574 3.713 10.258 1.00 0.00 H new ATOM 640 N LEU A 42 -2.460 0.957 7.636 1.00 0.00 N ATOM 641 CA LEU A 42 -1.274 0.131 7.443 1.00 0.00 C ATOM 642 C LEU A 42 -1.053 -0.793 8.637 1.00 0.00 C ATOM 643 O LEU A 42 -0.704 -1.962 8.473 1.00 0.00 O ATOM 644 CB LEU A 42 -0.043 1.014 7.232 1.00 0.00 C ATOM 645 CG LEU A 42 -0.158 2.022 6.088 1.00 0.00 C ATOM 646 CD1 LEU A 42 0.961 3.050 6.167 1.00 0.00 C ATOM 647 CD2 LEU A 42 -0.135 1.309 4.745 1.00 0.00 C ATOM 0 H LEU A 42 -2.264 1.942 7.816 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.430 -0.483 6.556 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.158 1.557 8.155 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.818 0.372 7.045 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.110 2.544 6.184 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.863 3.759 5.345 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.899 3.583 7.115 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.924 2.545 6.097 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.218 2.042 3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.801 0.760 4.640 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.972 0.613 4.688 1.00 0.00 H new ATOM 659 N SER A 43 -1.261 -0.263 9.837 1.00 0.00 N ATOM 660 CA SER A 43 -1.084 -1.042 11.057 1.00 0.00 C ATOM 661 C SER A 43 -2.212 -2.057 11.240 1.00 0.00 C ATOM 662 O SER A 43 -2.147 -2.915 12.121 1.00 0.00 O ATOM 663 CB SER A 43 -1.019 -0.114 12.272 1.00 0.00 C ATOM 664 OG SER A 43 -0.936 -0.855 13.477 1.00 0.00 O ATOM 0 H SER A 43 -1.552 0.702 9.991 1.00 0.00 H new ATOM 0 HA SER A 43 -0.146 -1.589 10.968 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.154 0.543 12.185 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.903 0.524 12.294 1.00 0.00 H new ATOM 0 HG SER A 43 -1.249 -1.770 13.320 1.00 0.00 H new ATOM 670 N SER A 44 -3.246 -1.958 10.407 1.00 0.00 N ATOM 671 CA SER A 44 -4.383 -2.869 10.488 1.00 0.00 C ATOM 672 C SER A 44 -4.024 -4.252 9.948 1.00 0.00 C ATOM 673 O SER A 44 -4.705 -5.235 10.240 1.00 0.00 O ATOM 674 CB SER A 44 -5.573 -2.302 9.714 1.00 0.00 C ATOM 675 OG SER A 44 -6.417 -1.544 10.563 1.00 0.00 O ATOM 0 H SER A 44 -3.319 -1.257 9.670 1.00 0.00 H new ATOM 0 HA SER A 44 -4.654 -2.972 11.539 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.215 -1.675 8.898 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.141 -3.117 9.265 1.00 0.00 H new ATOM 0 HG SER A 44 -7.170 -1.190 10.045 1.00 0.00 H new ATOM 681 N PHE A 45 -2.954 -4.326 9.159 1.00 0.00 N ATOM 682 CA PHE A 45 -2.514 -5.593 8.583 1.00 0.00 C ATOM 683 C PHE A 45 -2.333 -6.655 9.665 1.00 0.00 C ATOM 684 O PHE A 45 -1.454 -6.542 10.520 1.00 0.00 O ATOM 685 CB PHE A 45 -1.203 -5.403 7.817 1.00 0.00 C ATOM 686 CG PHE A 45 -1.367 -4.640 6.533 1.00 0.00 C ATOM 687 CD1 PHE A 45 -2.341 -5.000 5.616 1.00 0.00 C ATOM 688 CD2 PHE A 45 -0.545 -3.562 6.244 1.00 0.00 C ATOM 689 CE1 PHE A 45 -2.494 -4.298 4.435 1.00 0.00 C ATOM 690 CE2 PHE A 45 -0.695 -2.856 5.066 1.00 0.00 C ATOM 691 CZ PHE A 45 -1.670 -3.224 4.161 1.00 0.00 C ATOM 0 H PHE A 45 -2.377 -3.524 8.905 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.286 -5.933 7.893 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.491 -4.878 8.454 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.774 -6.381 7.598 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.988 -5.839 5.826 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.221 -3.271 6.947 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.257 -4.589 3.728 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.050 -2.017 4.853 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.788 -2.673 3.240 1.00 0.00 H new ATOM 762 N VAL A 51 -4.018 -14.423 5.502 1.00 0.00 N ATOM 763 CA VAL A 51 -4.213 -13.105 4.911 1.00 0.00 C ATOM 764 C VAL A 51 -2.876 -12.412 4.668 1.00 0.00 C ATOM 765 O VAL A 51 -2.119 -12.158 5.605 1.00 0.00 O ATOM 766 CB VAL A 51 -5.088 -12.209 5.808 1.00 0.00 C ATOM 767 CG1 VAL A 51 -5.410 -10.898 5.106 1.00 0.00 C ATOM 768 CG2 VAL A 51 -6.366 -12.934 6.208 1.00 0.00 C ATOM 0 HA VAL A 51 -4.721 -13.256 3.959 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.527 -11.981 6.715 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.029 -10.280 5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.484 -10.371 4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.948 -11.103 4.181 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.970 -12.284 6.841 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.931 -13.196 5.313 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.113 -13.842 6.756 1.00 0.00 H new ATOM 778 N HIS A 52 -2.592 -12.109 3.406 1.00 0.00 N ATOM 779 CA HIS A 52 -1.347 -11.445 3.040 1.00 0.00 C ATOM 780 C HIS A 52 -1.538 -9.930 2.974 1.00 0.00 C ATOM 781 O HIS A 52 -2.439 -9.441 2.292 1.00 0.00 O ATOM 782 CB HIS A 52 -0.844 -11.967 1.693 1.00 0.00 C ATOM 783 CG HIS A 52 -0.821 -13.462 1.602 1.00 0.00 C ATOM 784 ND1 HIS A 52 0.217 -14.230 2.087 1.00 0.00 N ATOM 785 CD2 HIS A 52 -1.719 -14.332 1.081 1.00 0.00 C ATOM 786 CE1 HIS A 52 -0.042 -15.507 1.865 1.00 0.00 C ATOM 787 NE2 HIS A 52 -1.211 -15.596 1.257 1.00 0.00 N ATOM 0 H HIS A 52 -3.208 -12.313 2.619 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.605 -11.667 3.807 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.479 -11.572 0.900 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.161 -11.585 1.517 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -2.659 -14.079 0.614 1.00 0.00 H new ATOM 0 HE1 HIS A 52 0.594 -16.337 2.135 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -1.663 -16.463 0.965 1.00 0.00 H new ATOM 796 N PRO A 53 -0.695 -9.160 3.689 1.00 0.00 N ATOM 797 CA PRO A 53 -0.786 -7.698 3.708 1.00 0.00 C ATOM 798 C PRO A 53 -0.187 -7.055 2.462 1.00 0.00 C ATOM 799 O PRO A 53 0.936 -7.368 2.067 1.00 0.00 O ATOM 800 CB PRO A 53 0.025 -7.322 4.946 1.00 0.00 C ATOM 801 CG PRO A 53 1.054 -8.394 5.056 1.00 0.00 C ATOM 802 CD PRO A 53 0.408 -9.654 4.540 1.00 0.00 C ATOM 0 HA PRO A 53 -1.819 -7.352 3.728 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.485 -6.340 4.836 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.604 -7.282 5.836 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.940 -8.144 4.472 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.378 -8.518 6.089 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.112 -10.261 3.970 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.037 -10.276 5.355 1.00 0.00 H new ATOM 810 N ILE A 54 -0.944 -6.148 1.852 1.00 0.00 N ATOM 811 CA ILE A 54 -0.495 -5.448 0.653 1.00 0.00 C ATOM 812 C ILE A 54 -0.879 -3.974 0.715 1.00 0.00 C ATOM 813 O ILE A 54 -1.909 -3.616 1.283 1.00 0.00 O ATOM 814 CB ILE A 54 -1.098 -6.063 -0.627 1.00 0.00 C ATOM 815 CG1 ILE A 54 -1.143 -7.590 -0.527 1.00 0.00 C ATOM 816 CG2 ILE A 54 -0.302 -5.633 -1.851 1.00 0.00 C ATOM 817 CD1 ILE A 54 0.221 -8.232 -0.415 1.00 0.00 C ATOM 0 H ILE A 54 -1.875 -5.880 2.170 1.00 0.00 H new ATOM 0 HA ILE A 54 0.590 -5.549 0.616 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.120 -5.698 -0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.739 -7.871 0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.651 -7.988 -1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.741 -6.076 -2.745 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.324 -4.547 -1.936 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.730 -5.968 -1.750 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.109 -9.314 -0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.814 -7.982 -1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.724 -7.863 0.479 1.00 0.00 H new ATOM 829 N VAL A 55 -0.049 -3.121 0.124 1.00 0.00 N ATOM 830 CA VAL A 55 -0.313 -1.686 0.115 1.00 0.00 C ATOM 831 C VAL A 55 -0.365 -1.149 -1.310 1.00 0.00 C ATOM 832 O VAL A 55 0.280 -1.684 -2.210 1.00 0.00 O ATOM 833 CB VAL A 55 0.757 -0.909 0.907 1.00 0.00 C ATOM 834 CG1 VAL A 55 0.399 0.567 0.989 1.00 0.00 C ATOM 835 CG2 VAL A 55 0.927 -1.501 2.299 1.00 0.00 C ATOM 0 H VAL A 55 0.809 -3.397 -0.353 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.282 -1.540 0.593 1.00 0.00 H new ATOM 0 HB VAL A 55 1.706 -0.999 0.379 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.167 1.097 1.552 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.335 0.982 -0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.562 0.681 1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.686 -0.939 2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.020 -1.445 2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.236 -2.543 2.216 1.00 0.00 H new ATOM 845 N VAL A 56 -1.140 -0.088 -1.510 1.00 0.00 N ATOM 846 CA VAL A 56 -1.272 0.519 -2.829 1.00 0.00 C ATOM 847 C VAL A 56 -1.053 2.027 -2.767 1.00 0.00 C ATOM 848 O VAL A 56 -1.429 2.680 -1.792 1.00 0.00 O ATOM 849 CB VAL A 56 -2.655 0.234 -3.440 1.00 0.00 C ATOM 850 CG1 VAL A 56 -2.701 0.642 -4.904 1.00 0.00 C ATOM 851 CG2 VAL A 56 -3.020 -1.233 -3.280 1.00 0.00 C ATOM 0 H VAL A 56 -1.685 0.368 -0.778 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.505 0.072 -3.462 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.390 0.832 -2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.690 0.429 -5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.495 1.709 -4.991 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.951 0.081 -5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.001 -1.414 -3.719 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.277 -1.850 -3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.043 -1.489 -2.221 1.00 0.00 H new ATOM 861 N VAL A 57 -0.438 2.575 -3.811 1.00 0.00 N ATOM 862 CA VAL A 57 -0.164 4.007 -3.875 1.00 0.00 C ATOM 863 C VAL A 57 -0.511 4.579 -5.245 1.00 0.00 C ATOM 864 O VAL A 57 -0.999 3.866 -6.122 1.00 0.00 O ATOM 865 CB VAL A 57 1.316 4.308 -3.569 1.00 0.00 C ATOM 866 CG1 VAL A 57 1.564 4.289 -2.069 1.00 0.00 C ATOM 867 CG2 VAL A 57 2.224 3.317 -4.283 1.00 0.00 C ATOM 0 H VAL A 57 -0.120 2.049 -4.625 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.792 4.480 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 57 1.549 5.306 -3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.614 4.503 -1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.942 5.044 -1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.313 3.306 -1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.265 3.547 -4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.993 2.306 -3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.065 3.388 -5.359 1.00 0.00 H new ATOM 877 N GLN A 58 -0.257 5.873 -5.425 1.00 0.00 N ATOM 878 CA GLN A 58 -0.538 6.546 -6.690 1.00 0.00 C ATOM 879 C GLN A 58 -0.315 8.052 -6.567 1.00 0.00 C ATOM 880 O GLN A 58 -1.266 8.821 -6.429 1.00 0.00 O ATOM 881 CB GLN A 58 -1.974 6.261 -7.142 1.00 0.00 C ATOM 882 CG GLN A 58 -2.057 5.504 -8.458 1.00 0.00 C ATOM 883 CD GLN A 58 -2.779 6.286 -9.538 1.00 0.00 C ATOM 884 OE1 GLN A 58 -3.582 5.732 -10.289 1.00 0.00 O ATOM 885 NE2 GLN A 58 -2.496 7.581 -9.620 1.00 0.00 N ATOM 0 H GLN A 58 0.144 6.478 -4.708 1.00 0.00 H new ATOM 0 HA GLN A 58 0.151 6.156 -7.440 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.482 5.686 -6.368 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.509 7.205 -7.241 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.050 5.266 -8.800 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.571 4.557 -8.296 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.824 7.998 -8.976 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.951 8.159 -10.327 1.00 0.00 H new ATOM 894 N PRO A 59 0.954 8.496 -6.614 1.00 0.00 N ATOM 895 CA PRO A 59 1.299 9.916 -6.507 1.00 0.00 C ATOM 896 C PRO A 59 0.967 10.692 -7.777 1.00 0.00 C ATOM 897 O PRO A 59 1.806 10.837 -8.666 1.00 0.00 O ATOM 898 CB PRO A 59 2.810 9.892 -6.275 1.00 0.00 C ATOM 899 CG PRO A 59 3.270 8.640 -6.935 1.00 0.00 C ATOM 900 CD PRO A 59 2.150 7.646 -6.774 1.00 0.00 C ATOM 0 HA PRO A 59 0.738 10.415 -5.717 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.292 10.769 -6.708 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.048 9.890 -5.211 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.489 8.813 -7.989 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.187 8.271 -6.475 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.065 6.993 -7.643 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.305 7.004 -5.907 1.00 0.00 H new ATOM 908 N ASP A 60 -0.263 11.190 -7.858 1.00 0.00 N ATOM 909 CA ASP A 60 -0.704 11.952 -9.021 1.00 0.00 C ATOM 910 C ASP A 60 -1.721 13.014 -8.622 1.00 0.00 C ATOM 911 O ASP A 60 -1.572 14.189 -8.957 1.00 0.00 O ATOM 912 CB ASP A 60 -1.309 11.018 -10.069 1.00 0.00 C ATOM 913 CG ASP A 60 -1.249 11.603 -11.468 1.00 0.00 C ATOM 914 OD1 ASP A 60 -0.239 11.373 -12.164 1.00 0.00 O ATOM 915 OD2 ASP A 60 -2.213 12.291 -11.865 1.00 0.00 O ATOM 0 H ASP A 60 -0.971 11.080 -7.133 1.00 0.00 H new ATOM 0 HA ASP A 60 0.166 12.451 -9.448 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.778 10.066 -10.053 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.347 10.809 -9.810 1.00 0.00 H new ATOM 1054 N ALA A 70 8.317 7.702 2.554 1.00 0.00 N ATOM 1055 CA ALA A 70 8.185 6.930 3.784 1.00 0.00 C ATOM 1056 C ALA A 70 7.054 5.913 3.678 1.00 0.00 C ATOM 1057 O ALA A 70 6.377 5.617 4.663 1.00 0.00 O ATOM 1058 CB ALA A 70 7.954 7.859 4.966 1.00 0.00 C ATOM 0 HA ALA A 70 9.114 6.382 3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.857 7.270 5.878 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.798 8.542 5.063 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.041 8.432 4.805 1.00 0.00 H new ATOM 1064 N ILE A 71 6.857 5.376 2.479 1.00 0.00 N ATOM 1065 CA ILE A 71 5.811 4.391 2.245 1.00 0.00 C ATOM 1066 C ILE A 71 6.197 3.039 2.835 1.00 0.00 C ATOM 1067 O ILE A 71 5.455 2.461 3.630 1.00 0.00 O ATOM 1068 CB ILE A 71 5.524 4.225 0.742 1.00 0.00 C ATOM 1069 CG1 ILE A 71 5.384 5.593 0.074 1.00 0.00 C ATOM 1070 CG2 ILE A 71 4.267 3.398 0.532 1.00 0.00 C ATOM 1071 CD1 ILE A 71 4.228 6.409 0.612 1.00 0.00 C ATOM 0 H ILE A 71 7.410 5.608 1.654 1.00 0.00 H new ATOM 0 HA ILE A 71 4.910 4.756 2.737 1.00 0.00 H new ATOM 0 HB ILE A 71 6.362 3.701 0.283 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.309 6.153 0.211 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.252 5.453 -0.999 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.077 3.289 -0.536 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.401 2.413 0.979 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.420 3.898 1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.187 7.367 0.094 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.295 5.869 0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.368 6.579 1.679 1.00 0.00 H new ATOM 1083 N GLY A 72 7.367 2.544 2.445 1.00 0.00 N ATOM 1084 CA GLY A 72 7.838 1.268 2.949 1.00 0.00 C ATOM 1085 C GLY A 72 8.411 1.375 4.350 1.00 0.00 C ATOM 1086 O GLY A 72 8.498 0.380 5.069 1.00 0.00 O ATOM 0 H GLY A 72 7.997 3.004 1.788 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.014 0.554 2.950 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.600 0.874 2.277 1.00 0.00 H new ATOM 1090 N GLN A 73 8.799 2.586 4.740 1.00 0.00 N ATOM 1091 CA GLN A 73 9.362 2.819 6.065 1.00 0.00 C ATOM 1092 C GLN A 73 8.257 2.998 7.103 1.00 0.00 C ATOM 1093 O GLN A 73 8.496 2.875 8.305 1.00 0.00 O ATOM 1094 CB GLN A 73 10.269 4.053 6.048 1.00 0.00 C ATOM 1095 CG GLN A 73 11.747 3.717 5.945 1.00 0.00 C ATOM 1096 CD GLN A 73 12.308 3.971 4.560 1.00 0.00 C ATOM 1097 OE1 GLN A 73 13.276 4.715 4.395 1.00 0.00 O ATOM 1098 NE2 GLN A 73 11.701 3.353 3.554 1.00 0.00 N ATOM 0 H GLN A 73 8.734 3.420 4.157 1.00 0.00 H new ATOM 0 HA GLN A 73 9.954 1.946 6.339 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.989 4.688 5.207 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.098 4.632 6.956 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.302 4.310 6.672 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.897 2.670 6.207 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.902 2.745 3.736 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.033 3.486 2.599 1.00 0.00 H new ATOM 1107 N MET A 74 7.046 3.289 6.634 1.00 0.00 N ATOM 1108 CA MET A 74 5.909 3.482 7.523 1.00 0.00 C ATOM 1109 C MET A 74 5.131 2.181 7.698 1.00 0.00 C ATOM 1110 O MET A 74 4.461 1.979 8.711 1.00 0.00 O ATOM 1111 CB MET A 74 4.989 4.575 6.974 1.00 0.00 C ATOM 1112 CG MET A 74 3.761 4.825 7.832 1.00 0.00 C ATOM 1113 SD MET A 74 3.025 6.444 7.536 1.00 0.00 S ATOM 1114 CE MET A 74 2.665 6.336 5.784 1.00 0.00 C ATOM 0 H MET A 74 6.829 3.396 5.643 1.00 0.00 H new ATOM 0 HA MET A 74 6.286 3.791 8.498 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.554 5.503 6.885 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.670 4.298 5.969 1.00 0.00 H new ATOM 0 HG2 MET A 74 3.020 4.051 7.633 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.034 4.741 8.884 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.706 6.812 5.580 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.449 6.841 5.220 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.621 5.289 5.486 1.00 0.00 H new ATOM 1124 N CYS A 75 5.226 1.299 6.707 1.00 0.00 N ATOM 1125 CA CYS A 75 4.534 0.017 6.756 1.00 0.00 C ATOM 1126 C CYS A 75 5.468 -1.120 6.354 1.00 0.00 C ATOM 1127 O CYS A 75 6.454 -0.907 5.650 1.00 0.00 O ATOM 1128 CB CYS A 75 3.312 0.036 5.837 1.00 0.00 C ATOM 1129 SG CYS A 75 2.332 -1.483 5.886 1.00 0.00 S ATOM 0 H CYS A 75 5.776 1.450 5.861 1.00 0.00 H new ATOM 0 HA CYS A 75 4.205 -0.150 7.782 1.00 0.00 H new ATOM 0 HB2 CYS A 75 2.675 0.876 6.114 1.00 0.00 H new ATOM 0 HB3 CYS A 75 3.643 0.210 4.813 1.00 0.00 H new ATOM 0 HG CYS A 75 1.679 -1.542 7.008 1.00 0.00 H new ATOM 1135 N GLU A 76 5.149 -2.330 6.804 1.00 0.00 N ATOM 1136 CA GLU A 76 5.960 -3.500 6.490 1.00 0.00 C ATOM 1137 C GLU A 76 5.297 -4.349 5.409 1.00 0.00 C ATOM 1138 O GLU A 76 5.426 -5.572 5.400 1.00 0.00 O ATOM 1139 CB GLU A 76 6.186 -4.342 7.749 1.00 0.00 C ATOM 1140 CG GLU A 76 7.471 -4.003 8.486 1.00 0.00 C ATOM 1141 CD GLU A 76 7.290 -3.971 9.991 1.00 0.00 C ATOM 1142 OE1 GLU A 76 7.358 -5.048 10.620 1.00 0.00 O ATOM 1143 OE2 GLU A 76 7.078 -2.869 10.540 1.00 0.00 O ATOM 0 H GLU A 76 4.335 -2.525 7.387 1.00 0.00 H new ATOM 0 HA GLU A 76 6.923 -3.153 6.114 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.342 -4.203 8.425 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.203 -5.396 7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.236 -4.737 8.231 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.835 -3.033 8.147 1.00 0.00 H new ATOM 1150 N ALA A 77 4.586 -3.690 4.500 1.00 0.00 N ATOM 1151 CA ALA A 77 3.903 -4.385 3.416 1.00 0.00 C ATOM 1152 C ALA A 77 4.338 -3.846 2.053 1.00 0.00 C ATOM 1153 O ALA A 77 4.935 -2.774 1.962 1.00 0.00 O ATOM 1154 CB ALA A 77 2.395 -4.266 3.578 1.00 0.00 C ATOM 0 H ALA A 77 4.468 -2.677 4.493 1.00 0.00 H new ATOM 0 HA ALA A 77 4.179 -5.438 3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.899 -4.790 2.761 1.00 0.00 H new ATOM 0 HB2 ALA A 77 2.095 -4.708 4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.109 -3.214 3.561 1.00 0.00 H new ATOM 1160 N PRO A 78 4.042 -4.591 0.975 1.00 0.00 N ATOM 1161 CA PRO A 78 4.404 -4.191 -0.387 1.00 0.00 C ATOM 1162 C PRO A 78 3.464 -3.134 -0.957 1.00 0.00 C ATOM 1163 O PRO A 78 2.258 -3.357 -1.069 1.00 0.00 O ATOM 1164 CB PRO A 78 4.276 -5.496 -1.170 1.00 0.00 C ATOM 1165 CG PRO A 78 3.208 -6.251 -0.459 1.00 0.00 C ATOM 1166 CD PRO A 78 3.334 -5.886 0.998 1.00 0.00 C ATOM 0 HA PRO A 78 5.394 -3.737 -0.432 1.00 0.00 H new ATOM 0 HB2 PRO A 78 4.007 -5.311 -2.210 1.00 0.00 H new ATOM 0 HB3 PRO A 78 5.215 -6.049 -1.178 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.223 -5.986 -0.843 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.328 -7.325 -0.603 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.358 -5.800 1.475 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.894 -6.639 1.552 1.00 0.00 H new ATOM 1174 N VAL A 79 4.024 -1.985 -1.321 1.00 0.00 N ATOM 1175 CA VAL A 79 3.239 -0.895 -1.888 1.00 0.00 C ATOM 1176 C VAL A 79 3.266 -0.952 -3.412 1.00 0.00 C ATOM 1177 O VAL A 79 4.335 -0.900 -4.019 1.00 0.00 O ATOM 1178 CB VAL A 79 3.764 0.480 -1.431 1.00 0.00 C ATOM 1179 CG1 VAL A 79 2.766 1.572 -1.777 1.00 0.00 C ATOM 1180 CG2 VAL A 79 4.069 0.479 0.062 1.00 0.00 C ATOM 0 H VAL A 79 5.020 -1.785 -1.233 1.00 0.00 H new ATOM 0 HA VAL A 79 2.217 -1.017 -1.530 1.00 0.00 H new ATOM 0 HB VAL A 79 4.694 0.683 -1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.153 2.536 -1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.610 1.593 -2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.819 1.371 -1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.438 1.461 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.161 0.249 0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.827 -0.274 0.278 1.00 0.00 H new ATOM 1190 N VAL A 80 2.092 -1.064 -4.032 1.00 0.00 N ATOM 1191 CA VAL A 80 2.015 -1.135 -5.489 1.00 0.00 C ATOM 1192 C VAL A 80 0.874 -0.281 -6.033 1.00 0.00 C ATOM 1193 O VAL A 80 -0.237 -0.313 -5.510 1.00 0.00 O ATOM 1194 CB VAL A 80 1.811 -2.584 -5.970 1.00 0.00 C ATOM 1195 CG1 VAL A 80 3.002 -3.448 -5.592 1.00 0.00 C ATOM 1196 CG2 VAL A 80 0.525 -3.162 -5.399 1.00 0.00 C ATOM 0 H VAL A 80 1.192 -1.107 -3.555 1.00 0.00 H new ATOM 0 HA VAL A 80 2.964 -0.754 -5.866 1.00 0.00 H new ATOM 0 HB VAL A 80 1.729 -2.575 -7.057 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.837 -4.467 -5.941 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.904 -3.047 -6.055 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.121 -3.450 -4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.399 -4.186 -5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.575 -3.156 -4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.322 -2.559 -5.727 1.00 0.00 H new ATOM 1206 N THR A 81 1.149 0.470 -7.095 1.00 0.00 N ATOM 1207 CA THR A 81 0.130 1.319 -7.710 1.00 0.00 C ATOM 1208 C THR A 81 -1.141 0.521 -7.986 1.00 0.00 C ATOM 1209 O THR A 81 -1.153 -0.704 -7.857 1.00 0.00 O ATOM 1210 CB THR A 81 0.652 1.933 -9.013 1.00 0.00 C ATOM 1211 OG1 THR A 81 0.585 0.993 -10.073 1.00 0.00 O ATOM 1212 CG2 THR A 81 2.083 2.420 -8.923 1.00 0.00 C ATOM 0 H THR A 81 2.063 0.509 -7.547 1.00 0.00 H new ATOM 0 HA THR A 81 -0.104 2.123 -7.012 1.00 0.00 H new ATOM 0 HB THR A 81 0.007 2.792 -9.201 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.921 1.404 -10.897 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.385 2.842 -9.882 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.159 3.185 -8.150 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.737 1.584 -8.673 1.00 0.00 H new ATOM 1220 N ARG A 82 -2.209 1.216 -8.362 1.00 0.00 N ATOM 1221 CA ARG A 82 -3.480 0.558 -8.649 1.00 0.00 C ATOM 1222 C ARG A 82 -3.360 -0.387 -9.842 1.00 0.00 C ATOM 1223 O ARG A 82 -4.219 -1.246 -10.048 1.00 0.00 O ATOM 1224 CB ARG A 82 -4.576 1.593 -8.910 1.00 0.00 C ATOM 1225 CG ARG A 82 -4.135 2.741 -9.806 1.00 0.00 C ATOM 1226 CD ARG A 82 -5.115 2.974 -10.944 1.00 0.00 C ATOM 1227 NE ARG A 82 -4.641 2.406 -12.203 1.00 0.00 N ATOM 1228 CZ ARG A 82 -5.422 2.187 -13.259 1.00 0.00 C ATOM 1229 NH1 ARG A 82 -6.715 2.483 -13.208 1.00 0.00 N ATOM 1230 NH2 ARG A 82 -4.910 1.670 -14.368 1.00 0.00 N ATOM 0 H ARG A 82 -2.221 2.230 -8.475 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.750 -0.032 -7.773 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.431 1.095 -9.367 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.915 1.998 -7.956 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.043 3.651 -9.213 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.148 2.525 -10.214 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.078 2.533 -10.688 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.277 4.045 -11.068 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.653 2.163 -12.278 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.114 2.880 -12.357 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.309 2.314 -14.019 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -3.917 1.440 -14.412 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -5.509 1.503 -15.176 1.00 0.00 H new ATOM 1244 N GLU A 83 -2.293 -0.234 -10.627 1.00 0.00 N ATOM 1245 CA GLU A 83 -2.077 -1.085 -11.793 1.00 0.00 C ATOM 1246 C GLU A 83 -2.210 -2.557 -11.417 1.00 0.00 C ATOM 1247 O GLU A 83 -2.824 -3.340 -12.141 1.00 0.00 O ATOM 1248 CB GLU A 83 -0.699 -0.820 -12.401 1.00 0.00 C ATOM 1249 CG GLU A 83 -0.697 -0.804 -13.922 1.00 0.00 C ATOM 1250 CD GLU A 83 -0.327 0.552 -14.493 1.00 0.00 C ATOM 1251 OE1 GLU A 83 -0.811 1.573 -13.960 1.00 0.00 O ATOM 1252 OE2 GLU A 83 0.447 0.593 -15.473 1.00 0.00 O ATOM 0 H GLU A 83 -1.569 0.468 -10.476 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.839 -0.846 -12.535 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.328 0.138 -12.035 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.005 -1.585 -12.053 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.006 -1.552 -14.288 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.684 -1.090 -14.286 1.00 0.00 H new ATOM 1259 N TRP A 84 -1.646 -2.922 -10.271 1.00 0.00 N ATOM 1260 CA TRP A 84 -1.719 -4.295 -9.787 1.00 0.00 C ATOM 1261 C TRP A 84 -3.171 -4.699 -9.606 1.00 0.00 C ATOM 1262 O TRP A 84 -3.645 -5.674 -10.190 1.00 0.00 O ATOM 1263 CB TRP A 84 -0.991 -4.419 -8.449 1.00 0.00 C ATOM 1264 CG TRP A 84 -1.026 -5.803 -7.874 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -0.249 -6.865 -8.237 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -1.887 -6.272 -6.831 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -0.574 -7.967 -7.482 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -1.577 -7.628 -6.612 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -2.889 -5.678 -6.060 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -2.236 -8.397 -5.654 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -3.541 -6.441 -5.112 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -3.213 -7.787 -4.914 1.00 0.00 C ATOM 0 H TRP A 84 -1.133 -2.286 -9.660 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.245 -4.951 -10.518 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.048 -4.115 -8.580 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.438 -3.727 -7.736 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.510 -6.843 -9.005 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -0.139 -8.887 -7.557 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -3.149 -4.640 -6.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -1.985 -9.436 -5.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -4.318 -5.991 -4.512 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.741 -8.356 -4.163 1.00 0.00 H new ATOM 1283 N VAL A 85 -3.865 -3.925 -8.789 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.274 -4.164 -8.504 1.00 0.00 C ATOM 1285 C VAL A 85 -6.093 -4.220 -9.789 1.00 0.00 C ATOM 1286 O VAL A 85 -6.955 -5.083 -9.950 1.00 0.00 O ATOM 1287 CB VAL A 85 -5.849 -3.067 -7.585 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -7.320 -3.321 -7.292 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -5.049 -2.982 -6.294 1.00 0.00 C ATOM 0 H VAL A 85 -3.473 -3.117 -8.306 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.339 -5.126 -7.996 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.770 -2.111 -8.103 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.703 -2.534 -6.642 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.882 -3.325 -8.226 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.431 -4.286 -6.797 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.468 -2.203 -5.657 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.094 -3.939 -5.774 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.011 -2.743 -6.524 1.00 0.00 H new ATOM 1299 N LEU A 86 -5.820 -3.295 -10.699 1.00 0.00 N ATOM 1300 CA LEU A 86 -6.535 -3.240 -11.968 1.00 0.00 C ATOM 1301 C LEU A 86 -6.154 -4.420 -12.857 1.00 0.00 C ATOM 1302 O LEU A 86 -7.019 -5.076 -13.439 1.00 0.00 O ATOM 1303 CB LEU A 86 -6.241 -1.920 -12.685 1.00 0.00 C ATOM 1304 CG LEU A 86 -7.436 -0.973 -12.812 1.00 0.00 C ATOM 1305 CD1 LEU A 86 -8.576 -1.650 -13.558 1.00 0.00 C ATOM 1306 CD2 LEU A 86 -7.896 -0.511 -11.438 1.00 0.00 C ATOM 0 H LEU A 86 -5.109 -2.573 -10.583 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.604 -3.299 -11.761 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.443 -1.404 -12.151 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.865 -2.142 -13.684 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.124 -0.098 -13.383 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.417 -0.962 -13.639 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.241 -1.932 -14.556 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.888 -2.542 -13.014 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.747 0.162 -11.546 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.191 -1.376 -10.843 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.081 0.012 -10.938 1.00 0.00 H new ATOM 1318 N ASP A 87 -4.858 -4.686 -12.952 1.00 0.00 N ATOM 1319 CA ASP A 87 -4.362 -5.788 -13.766 1.00 0.00 C ATOM 1320 C ASP A 87 -4.845 -7.124 -13.209 1.00 0.00 C ATOM 1321 O ASP A 87 -5.087 -8.070 -13.959 1.00 0.00 O ATOM 1322 CB ASP A 87 -2.833 -5.760 -13.819 1.00 0.00 C ATOM 1323 CG ASP A 87 -2.266 -6.772 -14.796 1.00 0.00 C ATOM 1324 OD1 ASP A 87 -2.791 -7.904 -14.851 1.00 0.00 O ATOM 1325 OD2 ASP A 87 -1.297 -6.432 -15.507 1.00 0.00 O ATOM 0 H ASP A 87 -4.131 -4.153 -12.475 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.751 -5.673 -14.778 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.501 -4.761 -14.102 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.435 -5.958 -12.824 1.00 0.00 H new ATOM 1330 N SER A 88 -4.983 -7.193 -11.889 1.00 0.00 N ATOM 1331 CA SER A 88 -5.436 -8.412 -11.230 1.00 0.00 C ATOM 1332 C SER A 88 -6.946 -8.591 -11.378 1.00 0.00 C ATOM 1333 O SER A 88 -7.417 -9.675 -11.713 1.00 0.00 O ATOM 1334 CB SER A 88 -5.060 -8.392 -9.748 1.00 0.00 C ATOM 1335 OG SER A 88 -3.655 -8.473 -9.577 1.00 0.00 O ATOM 0 H SER A 88 -4.787 -6.419 -11.255 1.00 0.00 H new ATOM 0 HA SER A 88 -4.940 -9.254 -11.713 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.433 -7.478 -9.287 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.540 -9.226 -9.236 1.00 0.00 H new ATOM 0 HG SER A 88 -3.256 -7.591 -9.729 1.00 0.00 H new ATOM 1341 N VAL A 89 -7.698 -7.524 -11.119 1.00 0.00 N ATOM 1342 CA VAL A 89 -9.153 -7.576 -11.221 1.00 0.00 C ATOM 1343 C VAL A 89 -9.606 -7.667 -12.676 1.00 0.00 C ATOM 1344 O VAL A 89 -10.644 -8.257 -12.977 1.00 0.00 O ATOM 1345 CB VAL A 89 -9.806 -6.346 -10.563 1.00 0.00 C ATOM 1346 CG1 VAL A 89 -11.324 -6.464 -10.581 1.00 0.00 C ATOM 1347 CG2 VAL A 89 -9.296 -6.170 -9.141 1.00 0.00 C ATOM 0 H VAL A 89 -7.325 -6.617 -10.838 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.473 -8.474 -10.692 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.530 -5.463 -11.139 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.763 -5.584 -10.111 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.671 -6.536 -11.612 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.626 -7.357 -10.033 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.768 -5.296 -8.691 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.539 -7.056 -8.555 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.215 -6.031 -9.157 1.00 0.00 H new ATOM 1357 N ALA A 90 -8.825 -7.076 -13.574 1.00 0.00 N ATOM 1358 CA ALA A 90 -9.152 -7.089 -14.996 1.00 0.00 C ATOM 1359 C ALA A 90 -9.044 -8.494 -15.578 1.00 0.00 C ATOM 1360 O ALA A 90 -10.004 -9.018 -16.144 1.00 0.00 O ATOM 1361 CB ALA A 90 -8.242 -6.132 -15.752 1.00 0.00 C ATOM 0 H ALA A 90 -7.963 -6.583 -13.343 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.185 -6.761 -15.107 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.495 -6.150 -16.812 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.374 -5.122 -15.365 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.204 -6.438 -15.622 1.00 0.00 H new ATOM 1367 N LEU A 91 -7.869 -9.098 -15.438 1.00 0.00 N ATOM 1368 CA LEU A 91 -7.631 -10.442 -15.955 1.00 0.00 C ATOM 1369 C LEU A 91 -8.022 -11.510 -14.933 1.00 0.00 C ATOM 1370 O LEU A 91 -8.177 -12.680 -15.277 1.00 0.00 O ATOM 1371 CB LEU A 91 -6.158 -10.602 -16.337 1.00 0.00 C ATOM 1372 CG LEU A 91 -5.771 -11.986 -16.865 1.00 0.00 C ATOM 1373 CD1 LEU A 91 -6.369 -12.217 -18.243 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -4.258 -12.134 -16.905 1.00 0.00 C ATOM 0 H LEU A 91 -7.065 -8.678 -14.971 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.253 -10.577 -16.840 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.913 -9.859 -17.096 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.546 -10.379 -15.463 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.172 -12.740 -16.188 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.083 -13.206 -18.602 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.455 -12.152 -18.184 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.998 -11.459 -18.933 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.999 -13.123 -17.283 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.835 -11.373 -17.561 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.854 -12.012 -15.900 1.00 0.00 H new ATOM 1386 N TYR A 92 -8.174 -11.102 -13.676 1.00 0.00 N ATOM 1387 CA TYR A 92 -8.540 -12.028 -12.609 1.00 0.00 C ATOM 1388 C TYR A 92 -7.407 -13.016 -12.345 1.00 0.00 C ATOM 1389 O TYR A 92 -7.461 -14.169 -12.773 1.00 0.00 O ATOM 1390 CB TYR A 92 -9.828 -12.779 -12.964 1.00 0.00 C ATOM 1391 CG TYR A 92 -10.961 -12.539 -11.989 1.00 0.00 C ATOM 1392 CD1 TYR A 92 -10.724 -12.441 -10.621 1.00 0.00 C ATOM 1393 CD2 TYR A 92 -12.270 -12.412 -12.438 1.00 0.00 C ATOM 1394 CE1 TYR A 92 -11.760 -12.223 -9.733 1.00 0.00 C ATOM 1395 CE2 TYR A 92 -13.310 -12.194 -11.555 1.00 0.00 C ATOM 1396 CZ TYR A 92 -13.051 -12.101 -10.204 1.00 0.00 C ATOM 1397 OH TYR A 92 -14.084 -11.884 -9.322 1.00 0.00 O ATOM 0 H TYR A 92 -8.049 -10.136 -13.372 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.715 -11.450 -11.702 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -10.149 -12.480 -13.962 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.616 -13.847 -13.005 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.715 -12.537 -10.248 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.478 -12.485 -13.495 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.560 -12.148 -8.674 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -14.321 -12.097 -11.921 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.720 -11.707 -8.429 1.00 0.00 H new ATOM 1407 N GLN A 93 -6.382 -12.554 -11.636 1.00 0.00 N ATOM 1408 CA GLN A 93 -5.234 -13.393 -11.310 1.00 0.00 C ATOM 1409 C GLN A 93 -4.199 -12.605 -10.512 1.00 0.00 C ATOM 1410 O GLN A 93 -3.897 -11.456 -10.833 1.00 0.00 O ATOM 1411 CB GLN A 93 -4.598 -13.949 -12.588 1.00 0.00 C ATOM 1412 CG GLN A 93 -4.253 -15.426 -12.502 1.00 0.00 C ATOM 1413 CD GLN A 93 -2.778 -15.666 -12.243 1.00 0.00 C ATOM 1414 OE1 GLN A 93 -2.407 -16.350 -11.289 1.00 0.00 O ATOM 1415 NE2 GLN A 93 -1.928 -15.103 -13.093 1.00 0.00 N ATOM 0 H GLN A 93 -6.323 -11.602 -11.276 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.584 -14.225 -10.699 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.282 -13.792 -13.422 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.692 -13.385 -12.808 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.838 -15.886 -11.705 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.539 -15.917 -13.432 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.279 -14.544 -13.870 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.924 -15.230 -12.969 1.00 0.00 H new ATOM 1424 N CYS A 94 -3.661 -13.230 -9.470 1.00 0.00 N ATOM 1425 CA CYS A 94 -2.662 -12.585 -8.625 1.00 0.00 C ATOM 1426 C CYS A 94 -1.441 -12.171 -9.442 1.00 0.00 C ATOM 1427 O CYS A 94 -0.502 -12.948 -9.612 1.00 0.00 O ATOM 1428 CB CYS A 94 -2.236 -13.523 -7.494 1.00 0.00 C ATOM 1429 SG CYS A 94 -1.643 -12.672 -6.013 1.00 0.00 S ATOM 0 H CYS A 94 -3.900 -14.181 -9.190 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.112 -11.689 -8.196 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -3.082 -14.155 -7.223 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.449 -14.183 -7.860 1.00 0.00 H new ATOM 0 HG CYS A 94 -1.309 -13.549 -5.113 1.00 0.00 H new ATOM 1435 N GLN A 95 -1.465 -10.940 -9.947 1.00 0.00 N ATOM 1436 CA GLN A 95 -0.361 -10.422 -10.746 1.00 0.00 C ATOM 1437 C GLN A 95 0.836 -10.078 -9.864 1.00 0.00 C ATOM 1438 O GLN A 95 0.696 -9.897 -8.655 1.00 0.00 O ATOM 1439 CB GLN A 95 -0.803 -9.180 -11.522 1.00 0.00 C ATOM 1440 CG GLN A 95 -2.150 -9.338 -12.210 1.00 0.00 C ATOM 1441 CD GLN A 95 -2.153 -10.455 -13.234 1.00 0.00 C ATOM 1442 OE1 GLN A 95 -3.044 -11.305 -13.239 1.00 0.00 O ATOM 1443 NE2 GLN A 95 -1.155 -10.460 -14.109 1.00 0.00 N ATOM 0 H GLN A 95 -2.236 -10.285 -9.817 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.063 -11.199 -11.450 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.851 -8.333 -10.838 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.048 -8.942 -12.271 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.916 -9.535 -11.460 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.416 -8.401 -12.699 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.438 -9.736 -14.069 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.105 -11.188 -14.822 1.00 0.00 H new ATOM 1452 N GLU A 96 2.010 -9.987 -10.478 1.00 0.00 N ATOM 1453 CA GLU A 96 3.229 -9.659 -9.746 1.00 0.00 C ATOM 1454 C GLU A 96 3.178 -8.222 -9.235 1.00 0.00 C ATOM 1455 O GLU A 96 2.722 -7.319 -9.936 1.00 0.00 O ATOM 1456 CB GLU A 96 4.461 -9.860 -10.634 1.00 0.00 C ATOM 1457 CG GLU A 96 4.290 -9.334 -12.049 1.00 0.00 C ATOM 1458 CD GLU A 96 3.931 -10.426 -13.038 1.00 0.00 C ATOM 1459 OE1 GLU A 96 2.724 -10.685 -13.225 1.00 0.00 O ATOM 1460 OE2 GLU A 96 4.858 -11.023 -13.625 1.00 0.00 O ATOM 0 H GLU A 96 2.144 -10.135 -11.478 1.00 0.00 H new ATOM 0 HA GLU A 96 3.303 -10.330 -8.890 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.315 -9.364 -10.173 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.696 -10.923 -10.678 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.511 -8.571 -12.057 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.214 -8.850 -12.367 1.00 0.00 H new ATOM 1467 N LEU A 97 3.642 -8.021 -8.006 1.00 0.00 N ATOM 1468 CA LEU A 97 3.642 -6.696 -7.394 1.00 0.00 C ATOM 1469 C LEU A 97 4.920 -5.932 -7.724 1.00 0.00 C ATOM 1470 O LEU A 97 4.908 -4.707 -7.851 1.00 0.00 O ATOM 1471 CB LEU A 97 3.483 -6.820 -5.877 1.00 0.00 C ATOM 1472 CG LEU A 97 2.039 -6.810 -5.376 1.00 0.00 C ATOM 1473 CD1 LEU A 97 1.518 -8.232 -5.224 1.00 0.00 C ATOM 1474 CD2 LEU A 97 1.935 -6.058 -4.057 1.00 0.00 C ATOM 0 H LEU A 97 4.023 -8.759 -7.414 1.00 0.00 H new ATOM 0 HA LEU A 97 2.800 -6.136 -7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.958 -7.745 -5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.022 -6.000 -5.402 1.00 0.00 H new ATOM 0 HG LEU A 97 1.423 -6.295 -6.113 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.489 -8.206 -4.866 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.554 -8.738 -6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.137 -8.772 -4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.900 -6.062 -3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.564 -6.543 -3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.267 -5.029 -4.198 1.00 0.00 H new ATOM 1486 N ASP A 98 6.022 -6.661 -7.854 1.00 0.00 N ATOM 1487 CA ASP A 98 7.314 -6.053 -8.162 1.00 0.00 C ATOM 1488 C ASP A 98 7.253 -5.222 -9.442 1.00 0.00 C ATOM 1489 O ASP A 98 8.078 -4.332 -9.652 1.00 0.00 O ATOM 1490 CB ASP A 98 8.387 -7.136 -8.297 1.00 0.00 C ATOM 1491 CG ASP A 98 9.125 -7.383 -6.996 1.00 0.00 C ATOM 1492 OD1 ASP A 98 8.621 -8.168 -6.166 1.00 0.00 O ATOM 1493 OD2 ASP A 98 10.209 -6.790 -6.807 1.00 0.00 O ATOM 0 H ASP A 98 6.048 -7.675 -7.751 1.00 0.00 H new ATOM 0 HA ASP A 98 7.571 -5.386 -7.339 1.00 0.00 H new ATOM 0 HB2 ASP A 98 7.923 -8.064 -8.630 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.101 -6.843 -9.067 1.00 0.00 H new ATOM 1498 N THR A 99 6.278 -5.516 -10.299 1.00 0.00 N ATOM 1499 CA THR A 99 6.126 -4.794 -11.558 1.00 0.00 C ATOM 1500 C THR A 99 5.478 -3.427 -11.343 1.00 0.00 C ATOM 1501 O THR A 99 5.645 -2.519 -12.159 1.00 0.00 O ATOM 1502 CB THR A 99 5.294 -5.618 -12.542 1.00 0.00 C ATOM 1503 OG1 THR A 99 5.939 -6.845 -12.835 1.00 0.00 O ATOM 1504 CG2 THR A 99 5.040 -4.912 -13.857 1.00 0.00 C ATOM 0 H THR A 99 5.584 -6.247 -10.145 1.00 0.00 H new ATOM 0 HA THR A 99 7.121 -4.634 -11.973 1.00 0.00 H new ATOM 0 HB THR A 99 4.337 -5.778 -12.045 1.00 0.00 H new ATOM 0 HG1 THR A 99 5.584 -7.209 -13.673 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.444 -5.554 -14.506 1.00 0.00 H new ATOM 0 HG22 THR A 99 4.501 -3.983 -13.673 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.991 -4.690 -14.341 1.00 0.00 H new ATOM 1512 N TYR A 100 4.739 -3.282 -10.247 1.00 0.00 N ATOM 1513 CA TYR A 100 4.070 -2.019 -9.944 1.00 0.00 C ATOM 1514 C TYR A 100 4.395 -1.548 -8.529 1.00 0.00 C ATOM 1515 O TYR A 100 3.686 -0.714 -7.968 1.00 0.00 O ATOM 1516 CB TYR A 100 2.555 -2.164 -10.103 1.00 0.00 C ATOM 1517 CG TYR A 100 2.144 -3.024 -11.277 1.00 0.00 C ATOM 1518 CD1 TYR A 100 2.332 -2.588 -12.583 1.00 0.00 C ATOM 1519 CD2 TYR A 100 1.568 -4.273 -11.079 1.00 0.00 C ATOM 1520 CE1 TYR A 100 1.956 -3.370 -13.657 1.00 0.00 C ATOM 1521 CE2 TYR A 100 1.191 -5.063 -12.150 1.00 0.00 C ATOM 1522 CZ TYR A 100 1.387 -4.607 -13.436 1.00 0.00 C ATOM 1523 OH TYR A 100 1.013 -5.389 -14.504 1.00 0.00 O ATOM 0 H TYR A 100 4.588 -4.018 -9.557 1.00 0.00 H new ATOM 0 HA TYR A 100 4.436 -1.273 -10.650 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.142 -2.592 -9.189 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.115 -1.174 -10.218 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.780 -1.621 -12.761 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.412 -4.633 -10.073 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.107 -3.015 -14.666 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.745 -6.032 -11.980 1.00 0.00 H new ATOM 0 HH TYR A 100 0.041 -5.515 -14.492 1.00 0.00 H new ATOM 1533 N LEU A 101 5.466 -2.087 -7.957 1.00 0.00 N ATOM 1534 CA LEU A 101 5.876 -1.719 -6.609 1.00 0.00 C ATOM 1535 C LEU A 101 6.785 -0.493 -6.631 1.00 0.00 C ATOM 1536 O LEU A 101 7.174 -0.015 -7.697 1.00 0.00 O ATOM 1537 CB LEU A 101 6.598 -2.892 -5.942 1.00 0.00 C ATOM 1538 CG LEU A 101 6.099 -3.260 -4.543 1.00 0.00 C ATOM 1539 CD1 LEU A 101 6.074 -4.771 -4.364 1.00 0.00 C ATOM 1540 CD2 LEU A 101 6.973 -2.612 -3.478 1.00 0.00 C ATOM 0 H LEU A 101 6.065 -2.780 -8.406 1.00 0.00 H new ATOM 0 HA LEU A 101 4.982 -1.473 -6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.504 -3.767 -6.585 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.660 -2.655 -5.880 1.00 0.00 H new ATOM 0 HG LEU A 101 5.082 -2.884 -4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.716 -5.013 -3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.408 -5.214 -5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.080 -5.170 -4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.604 -2.884 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.000 -2.959 -3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.941 -1.528 -3.591 1.00 0.00 H new