USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 617 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 47 THR OG1 : rot -170:sc= 0.484 USER MOD Set 1.2: A 51 LYS NZ :NH3+ -158:sc= 1.74 (180deg=0.934) USER MOD Single : A 7 THR OG1 : rot -112:sc= 0.282 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0225 USER MOD Single : A 16 SER OG : rot 156:sc= 1.1 USER MOD Single : A 19 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.0091) USER MOD Single : A 20 ASN : amide:sc= 1.09 K(o=1.1,f=-0.12) USER MOD Single : A 21 THR OG1 : rot 72:sc= 1.19 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 173:sc= 1.19 (180deg=1.1) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -56:sc= 0.929 USER MOD Single : A 59 TYR OH : rot -136:sc= 0.946 USER MOD Single : A 64 SER OG : rot 71:sc= 1.02 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -119:sc= 0.127 USER MOD Single : A 84 SER OG : rot -8:sc= 0.0571 USER MOD ----------------------------------------------------------------- ATOM 94 N LEU A 6 -4.142 11.890 -14.508 1.00 10.00 N ATOM 95 CA LEU A 6 -3.278 11.625 -13.367 1.00 10.00 C ATOM 96 C LEU A 6 -2.235 12.738 -13.191 1.00 10.00 C ATOM 97 O LEU A 6 -1.413 12.989 -14.071 1.00 10.00 O ATOM 98 CB LEU A 6 -2.557 10.274 -13.544 1.00 10.00 C ATOM 99 CG LEU A 6 -3.460 9.035 -13.729 1.00 10.00 C ATOM 100 CD1 LEU A 6 -3.862 8.799 -15.194 1.00 10.00 C ATOM 101 CD2 LEU A 6 -2.710 7.787 -13.247 1.00 10.00 C ATOM 0 HA LEU A 6 -3.906 11.590 -12.477 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -1.898 10.349 -14.409 1.00 10.00 H new ATOM 0 HB3 LEU A 6 -1.923 10.108 -12.673 1.00 10.00 H new ATOM 0 HG LEU A 6 -4.365 9.219 -13.151 1.00 10.00 H new ATOM 0 HD11 LEU A 6 -4.496 7.915 -15.259 1.00 10.00 H new ATOM 0 HD12 LEU A 6 -4.409 9.666 -15.565 1.00 10.00 H new ATOM 0 HD13 LEU A 6 -2.967 8.649 -15.797 1.00 10.00 H new ATOM 0 HD21 LEU A 6 -3.344 6.909 -13.376 1.00 10.00 H new ATOM 0 HD22 LEU A 6 -1.797 7.664 -13.829 1.00 10.00 H new ATOM 0 HD23 LEU A 6 -2.456 7.900 -12.193 1.00 10.00 H new ATOM 113 N THR A 7 -2.260 13.376 -12.021 1.00 10.00 N ATOM 114 CA THR A 7 -1.239 14.319 -11.552 1.00 10.00 C ATOM 115 C THR A 7 -0.978 14.111 -10.052 1.00 10.00 C ATOM 116 O THR A 7 -1.451 13.138 -9.466 1.00 10.00 O ATOM 117 CB THR A 7 -1.640 15.760 -11.924 1.00 10.00 C ATOM 118 OG1 THR A 7 -0.555 16.631 -11.688 1.00 10.00 O ATOM 119 CG2 THR A 7 -2.850 16.299 -11.154 1.00 10.00 C ATOM 0 H THR A 7 -3.017 13.248 -11.349 1.00 10.00 H new ATOM 0 HA THR A 7 -0.290 14.130 -12.053 1.00 10.00 H new ATOM 0 HB THR A 7 -1.917 15.721 -12.978 1.00 10.00 H new ATOM 0 HG1 THR A 7 -0.773 17.231 -10.944 1.00 10.00 H new ATOM 0 HG21 THR A 7 -3.063 17.318 -11.478 1.00 10.00 H new ATOM 0 HG22 THR A 7 -3.717 15.668 -11.350 1.00 10.00 H new ATOM 0 HG23 THR A 7 -2.633 16.296 -10.086 1.00 10.00 H new ATOM 127 N GLU A 8 -0.215 15.008 -9.422 1.00 10.00 N ATOM 128 CA GLU A 8 0.221 14.934 -8.020 1.00 10.00 C ATOM 129 C GLU A 8 -0.913 14.581 -7.043 1.00 10.00 C ATOM 130 O GLU A 8 -0.706 13.773 -6.142 1.00 10.00 O ATOM 131 CB GLU A 8 0.870 16.270 -7.621 1.00 10.00 C ATOM 132 CG GLU A 8 2.133 16.586 -8.436 1.00 10.00 C ATOM 133 CD GLU A 8 2.651 17.991 -8.115 1.00 10.00 C ATOM 134 OE1 GLU A 8 2.080 18.950 -8.683 1.00 10.00 O ATOM 135 OE2 GLU A 8 3.602 18.090 -7.309 1.00 10.00 O ATOM 0 H GLU A 8 0.132 15.843 -9.893 1.00 10.00 H new ATOM 0 HA GLU A 8 0.943 14.120 -7.950 1.00 10.00 H new ATOM 0 HB2 GLU A 8 0.146 17.074 -7.755 1.00 10.00 H new ATOM 0 HB3 GLU A 8 1.124 16.243 -6.561 1.00 10.00 H new ATOM 0 HG2 GLU A 8 2.906 15.850 -8.217 1.00 10.00 H new ATOM 0 HG3 GLU A 8 1.913 16.509 -9.501 1.00 10.00 H new ATOM 142 N GLY A 9 -2.123 15.120 -7.257 1.00 10.00 N ATOM 143 CA GLY A 9 -3.303 14.798 -6.452 1.00 10.00 C ATOM 144 C GLY A 9 -3.764 13.342 -6.589 1.00 10.00 C ATOM 145 O GLY A 9 -4.018 12.695 -5.578 1.00 10.00 O ATOM 0 H GLY A 9 -2.307 15.795 -7.999 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -3.084 15.003 -5.404 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -4.121 15.458 -6.742 1.00 10.00 H new ATOM 149 N ASP A 10 -3.828 12.802 -7.813 1.00 10.00 N ATOM 150 CA ASP A 10 -4.178 11.398 -8.065 1.00 10.00 C ATOM 151 C ASP A 10 -3.078 10.453 -7.569 1.00 10.00 C ATOM 152 O ASP A 10 -3.365 9.404 -6.997 1.00 10.00 O ATOM 153 CB ASP A 10 -4.382 11.150 -9.569 1.00 10.00 C ATOM 154 CG ASP A 10 -5.244 12.215 -10.233 1.00 10.00 C ATOM 155 OD1 ASP A 10 -4.674 13.282 -10.579 1.00 10.00 O ATOM 156 OD2 ASP A 10 -6.457 11.982 -10.428 1.00 10.00 O ATOM 0 H ASP A 10 -3.637 13.332 -8.663 1.00 10.00 H new ATOM 0 HA ASP A 10 -5.102 11.198 -7.523 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -3.410 11.117 -10.062 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -4.845 10.174 -9.712 1.00 10.00 H new ATOM 161 N LEU A 11 -1.812 10.831 -7.780 1.00 10.00 N ATOM 162 CA LEU A 11 -0.659 10.090 -7.276 1.00 10.00 C ATOM 163 C LEU A 11 -0.598 10.085 -5.742 1.00 10.00 C ATOM 164 O LEU A 11 -0.308 9.026 -5.182 1.00 10.00 O ATOM 165 CB LEU A 11 0.635 10.576 -7.955 1.00 10.00 C ATOM 166 CG LEU A 11 0.891 9.991 -9.368 1.00 10.00 C ATOM 167 CD1 LEU A 11 -0.255 10.060 -10.385 1.00 10.00 C ATOM 168 CD2 LEU A 11 2.111 10.674 -9.992 1.00 10.00 C ATOM 0 H LEU A 11 -1.561 11.666 -8.309 1.00 10.00 H new ATOM 0 HA LEU A 11 -0.775 9.041 -7.549 1.00 10.00 H new ATOM 0 HB2 LEU A 11 0.603 11.663 -8.028 1.00 10.00 H new ATOM 0 HB3 LEU A 11 1.481 10.324 -7.315 1.00 10.00 H new ATOM 0 HG LEU A 11 1.032 8.928 -9.173 1.00 10.00 H new ATOM 0 HD11 LEU A 11 0.067 9.615 -11.326 1.00 10.00 H new ATOM 0 HD12 LEU A 11 -1.116 9.513 -10.000 1.00 10.00 H new ATOM 0 HD13 LEU A 11 -0.531 11.101 -10.552 1.00 10.00 H new ATOM 0 HD21 LEU A 11 2.290 10.262 -10.985 1.00 10.00 H new ATOM 0 HD22 LEU A 11 1.927 11.745 -10.071 1.00 10.00 H new ATOM 0 HD23 LEU A 11 2.985 10.501 -9.364 1.00 10.00 H new ATOM 180 N ASP A 12 -0.931 11.189 -5.050 1.00 10.00 N ATOM 181 CA ASP A 12 -1.118 11.143 -3.593 1.00 10.00 C ATOM 182 C ASP A 12 -2.349 10.300 -3.247 1.00 10.00 C ATOM 183 O ASP A 12 -2.213 9.394 -2.437 1.00 10.00 O ATOM 184 CB ASP A 12 -1.253 12.544 -2.977 1.00 10.00 C ATOM 185 CG ASP A 12 -1.186 12.538 -1.434 1.00 10.00 C ATOM 186 OD1 ASP A 12 -1.849 11.690 -0.783 1.00 10.00 O ATOM 187 OD2 ASP A 12 -0.451 13.394 -0.899 1.00 10.00 O ATOM 0 H ASP A 12 -1.074 12.108 -5.469 1.00 10.00 H new ATOM 0 HA ASP A 12 -0.225 10.684 -3.167 1.00 10.00 H new ATOM 0 HB2 ASP A 12 -0.461 13.183 -3.366 1.00 10.00 H new ATOM 0 HB3 ASP A 12 -2.200 12.983 -3.292 1.00 10.00 H new ATOM 192 N GLU A 13 -3.500 10.477 -3.915 1.00 10.00 N ATOM 193 CA GLU A 13 -4.705 9.693 -3.606 1.00 10.00 C ATOM 194 C GLU A 13 -4.421 8.186 -3.683 1.00 10.00 C ATOM 195 O GLU A 13 -4.771 7.454 -2.758 1.00 10.00 O ATOM 196 CB GLU A 13 -5.857 10.098 -4.544 1.00 10.00 C ATOM 197 CG GLU A 13 -7.179 9.405 -4.195 1.00 10.00 C ATOM 198 CD GLU A 13 -8.282 9.767 -5.194 1.00 10.00 C ATOM 199 OE1 GLU A 13 -8.945 10.807 -4.975 1.00 10.00 O ATOM 200 OE2 GLU A 13 -8.459 8.992 -6.162 1.00 10.00 O ATOM 0 H GLU A 13 -3.621 11.153 -4.669 1.00 10.00 H new ATOM 0 HA GLU A 13 -5.007 9.911 -2.582 1.00 10.00 H new ATOM 0 HB2 GLU A 13 -5.995 11.178 -4.497 1.00 10.00 H new ATOM 0 HB3 GLU A 13 -5.585 9.856 -5.571 1.00 10.00 H new ATOM 0 HG2 GLU A 13 -7.034 8.325 -4.187 1.00 10.00 H new ATOM 0 HG3 GLU A 13 -7.488 9.693 -3.190 1.00 10.00 H new ATOM 207 N ILE A 14 -3.699 7.741 -4.719 1.00 10.00 N ATOM 208 CA ILE A 14 -3.257 6.354 -4.876 1.00 10.00 C ATOM 209 C ILE A 14 -2.197 5.980 -3.826 1.00 10.00 C ATOM 210 O ILE A 14 -2.357 4.957 -3.164 1.00 10.00 O ATOM 211 CB ILE A 14 -2.751 6.149 -6.321 1.00 10.00 C ATOM 212 CG1 ILE A 14 -3.949 6.184 -7.303 1.00 10.00 C ATOM 213 CG2 ILE A 14 -1.974 4.827 -6.468 1.00 10.00 C ATOM 214 CD1 ILE A 14 -3.547 6.348 -8.775 1.00 10.00 C ATOM 0 H ILE A 14 -3.402 8.347 -5.484 1.00 10.00 H new ATOM 0 HA ILE A 14 -4.098 5.682 -4.705 1.00 10.00 H new ATOM 0 HB ILE A 14 -2.063 6.960 -6.559 1.00 10.00 H new ATOM 0 HG12 ILE A 14 -4.521 5.263 -7.194 1.00 10.00 H new ATOM 0 HG13 ILE A 14 -4.610 7.005 -7.024 1.00 10.00 H new ATOM 0 HG21 ILE A 14 -1.634 4.717 -7.498 1.00 10.00 H new ATOM 0 HG22 ILE A 14 -1.113 4.835 -5.800 1.00 10.00 H new ATOM 0 HG23 ILE A 14 -2.625 3.992 -6.210 1.00 10.00 H new ATOM 0 HD11 ILE A 14 -4.442 6.363 -9.397 1.00 10.00 H new ATOM 0 HD12 ILE A 14 -3.001 7.283 -8.901 1.00 10.00 H new ATOM 0 HD13 ILE A 14 -2.912 5.514 -9.074 1.00 10.00 H new ATOM 226 N SER A 15 -1.143 6.785 -3.628 1.00 10.00 N ATOM 227 CA SER A 15 -0.089 6.499 -2.643 1.00 10.00 C ATOM 228 C SER A 15 -0.629 6.403 -1.207 1.00 10.00 C ATOM 229 O SER A 15 -0.360 5.440 -0.486 1.00 10.00 O ATOM 230 CB SER A 15 1.011 7.565 -2.755 1.00 10.00 C ATOM 231 OG SER A 15 2.066 7.276 -1.863 1.00 10.00 O ATOM 0 H SER A 15 -0.997 7.652 -4.145 1.00 10.00 H new ATOM 0 HA SER A 15 0.329 5.518 -2.870 1.00 10.00 H new ATOM 0 HB2 SER A 15 1.389 7.601 -3.777 1.00 10.00 H new ATOM 0 HB3 SER A 15 0.597 8.549 -2.533 1.00 10.00 H new ATOM 0 HG SER A 15 2.761 7.962 -1.945 1.00 10.00 H new ATOM 237 N SER A 16 -1.476 7.360 -0.828 1.00 10.00 N ATOM 238 CA SER A 16 -2.190 7.431 0.443 1.00 10.00 C ATOM 239 C SER A 16 -3.213 6.293 0.577 1.00 10.00 C ATOM 240 O SER A 16 -3.271 5.666 1.635 1.00 10.00 O ATOM 241 CB SER A 16 -2.838 8.821 0.584 1.00 10.00 C ATOM 242 OG SER A 16 -1.827 9.804 0.757 1.00 10.00 O ATOM 0 H SER A 16 -1.693 8.150 -1.435 1.00 10.00 H new ATOM 0 HA SER A 16 -1.483 7.297 1.262 1.00 10.00 H new ATOM 0 HB2 SER A 16 -3.432 9.048 -0.301 1.00 10.00 H new ATOM 0 HB3 SER A 16 -3.519 8.831 1.435 1.00 10.00 H new ATOM 0 HG SER A 16 -2.166 10.677 0.467 1.00 10.00 H new ATOM 248 N PHE A 17 -3.956 5.940 -0.487 1.00 10.00 N ATOM 249 CA PHE A 17 -4.827 4.755 -0.501 1.00 10.00 C ATOM 250 C PHE A 17 -4.045 3.450 -0.296 1.00 10.00 C ATOM 251 O PHE A 17 -4.487 2.584 0.462 1.00 10.00 O ATOM 252 CB PHE A 17 -5.618 4.706 -1.819 1.00 10.00 C ATOM 253 CG PHE A 17 -6.376 3.416 -2.066 1.00 10.00 C ATOM 254 CD1 PHE A 17 -7.548 3.136 -1.339 1.00 10.00 C ATOM 255 CD2 PHE A 17 -5.898 2.486 -3.012 1.00 10.00 C ATOM 256 CE1 PHE A 17 -8.239 1.931 -1.555 1.00 10.00 C ATOM 257 CE2 PHE A 17 -6.591 1.282 -3.230 1.00 10.00 C ATOM 258 CZ PHE A 17 -7.760 1.006 -2.499 1.00 10.00 C ATOM 0 H PHE A 17 -3.968 6.468 -1.359 1.00 10.00 H new ATOM 0 HA PHE A 17 -5.517 4.845 0.338 1.00 10.00 H new ATOM 0 HB2 PHE A 17 -6.327 5.534 -1.830 1.00 10.00 H new ATOM 0 HB3 PHE A 17 -4.927 4.867 -2.646 1.00 10.00 H new ATOM 0 HD1 PHE A 17 -7.917 3.847 -0.615 1.00 10.00 H new ATOM 0 HD2 PHE A 17 -4.998 2.699 -3.570 1.00 10.00 H new ATOM 0 HE1 PHE A 17 -9.138 1.716 -0.996 1.00 10.00 H new ATOM 0 HE2 PHE A 17 -6.226 0.571 -3.957 1.00 10.00 H new ATOM 0 HZ PHE A 17 -8.292 0.080 -2.663 1.00 10.00 H new ATOM 268 N LEU A 18 -2.876 3.303 -0.930 1.00 10.00 N ATOM 269 CA LEU A 18 -1.993 2.149 -0.742 1.00 10.00 C ATOM 270 C LEU A 18 -1.428 2.102 0.682 1.00 10.00 C ATOM 271 O LEU A 18 -1.475 1.048 1.317 1.00 10.00 O ATOM 272 CB LEU A 18 -0.868 2.198 -1.790 1.00 10.00 C ATOM 273 CG LEU A 18 -1.361 1.898 -3.217 1.00 10.00 C ATOM 274 CD1 LEU A 18 -0.318 2.340 -4.246 1.00 10.00 C ATOM 275 CD2 LEU A 18 -1.641 0.410 -3.408 1.00 10.00 C ATOM 0 H LEU A 18 -2.514 3.988 -1.593 1.00 10.00 H new ATOM 0 HA LEU A 18 -2.570 1.234 -0.881 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -0.405 3.184 -1.772 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -0.096 1.478 -1.520 1.00 10.00 H new ATOM 0 HG LEU A 18 -2.287 2.454 -3.364 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -0.682 2.121 -5.250 1.00 10.00 H new ATOM 0 HD12 LEU A 18 -0.143 3.411 -4.149 1.00 10.00 H new ATOM 0 HD13 LEU A 18 0.614 1.803 -4.073 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -1.987 0.233 -4.426 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -0.727 -0.158 -3.231 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -2.409 0.091 -2.703 1.00 10.00 H new ATOM 287 N HIS A 19 -0.970 3.242 1.216 1.00 10.00 N ATOM 288 CA HIS A 19 -0.513 3.352 2.599 1.00 10.00 C ATOM 289 C HIS A 19 -1.619 2.949 3.586 1.00 10.00 C ATOM 290 O HIS A 19 -1.378 2.094 4.441 1.00 10.00 O ATOM 291 CB HIS A 19 0.012 4.774 2.850 1.00 10.00 C ATOM 292 CG HIS A 19 0.519 5.050 4.248 1.00 10.00 C ATOM 293 ND1 HIS A 19 0.715 6.299 4.791 1.00 10.00 N ATOM 294 CD2 HIS A 19 0.882 4.142 5.209 1.00 10.00 C ATOM 295 CE1 HIS A 19 1.179 6.142 6.043 1.00 10.00 C ATOM 296 NE2 HIS A 19 1.290 4.841 6.347 1.00 10.00 N ATOM 0 H HIS A 19 -0.908 4.116 0.694 1.00 10.00 H new ATOM 0 HA HIS A 19 0.307 2.654 2.766 1.00 10.00 H new ATOM 0 HB2 HIS A 19 0.819 4.973 2.145 1.00 10.00 H new ATOM 0 HB3 HIS A 19 -0.787 5.481 2.627 1.00 10.00 H new ATOM 0 HD2 HIS A 19 0.857 3.067 5.104 1.00 10.00 H new ATOM 0 HE1 HIS A 19 1.428 6.953 6.712 1.00 10.00 H new ATOM 0 HE2 HIS A 19 1.608 4.442 7.230 1.00 10.00 H new ATOM 304 N ASN A 20 -2.843 3.477 3.428 1.00 10.00 N ATOM 305 CA ASN A 20 -3.988 3.026 4.221 1.00 10.00 C ATOM 306 C ASN A 20 -4.280 1.539 4.002 1.00 10.00 C ATOM 307 O ASN A 20 -4.493 0.831 4.975 1.00 10.00 O ATOM 308 CB ASN A 20 -5.239 3.880 3.943 1.00 10.00 C ATOM 309 CG ASN A 20 -5.511 4.851 5.080 1.00 10.00 C ATOM 310 OD1 ASN A 20 -5.218 6.034 4.998 1.00 10.00 O ATOM 311 ND2 ASN A 20 -6.063 4.381 6.181 1.00 10.00 N ATOM 0 H ASN A 20 -3.061 4.215 2.759 1.00 10.00 H new ATOM 0 HA ASN A 20 -3.720 3.158 5.269 1.00 10.00 H new ATOM 0 HB2 ASN A 20 -5.104 4.434 3.014 1.00 10.00 H new ATOM 0 HB3 ASN A 20 -6.102 3.229 3.804 1.00 10.00 H new ATOM 0 HD21 ASN A 20 -6.246 5.006 6.966 1.00 10.00 H new ATOM 0 HD22 ASN A 20 -6.307 3.393 6.247 1.00 10.00 H new ATOM 318 N THR A 21 -4.211 1.030 2.768 1.00 10.00 N ATOM 319 CA THR A 21 -4.544 -0.372 2.471 1.00 10.00 C ATOM 320 C THR A 21 -3.620 -1.329 3.231 1.00 10.00 C ATOM 321 O THR A 21 -4.107 -2.277 3.845 1.00 10.00 O ATOM 322 CB THR A 21 -4.485 -0.643 0.956 1.00 10.00 C ATOM 323 OG1 THR A 21 -5.405 0.187 0.284 1.00 10.00 O ATOM 324 CG2 THR A 21 -4.859 -2.083 0.596 1.00 10.00 C ATOM 0 H THR A 21 -3.926 1.570 1.951 1.00 10.00 H new ATOM 0 HA THR A 21 -5.565 -0.551 2.807 1.00 10.00 H new ATOM 0 HB THR A 21 -3.455 -0.449 0.657 1.00 10.00 H new ATOM 0 HG1 THR A 21 -5.082 1.112 0.298 1.00 10.00 H new ATOM 0 HG21 THR A 21 -4.800 -2.215 -0.484 1.00 10.00 H new ATOM 0 HG22 THR A 21 -4.169 -2.771 1.084 1.00 10.00 H new ATOM 0 HG23 THR A 21 -5.875 -2.290 0.932 1.00 10.00 H new ATOM 332 N ILE A 22 -2.310 -1.049 3.270 1.00 10.00 N ATOM 333 CA ILE A 22 -1.361 -1.818 4.088 1.00 10.00 C ATOM 334 C ILE A 22 -1.584 -1.555 5.584 1.00 10.00 C ATOM 335 O ILE A 22 -1.655 -2.507 6.360 1.00 10.00 O ATOM 336 CB ILE A 22 0.093 -1.476 3.703 1.00 10.00 C ATOM 337 CG1 ILE A 22 0.354 -1.746 2.213 1.00 10.00 C ATOM 338 CG2 ILE A 22 1.129 -2.255 4.539 1.00 10.00 C ATOM 339 CD1 ILE A 22 1.794 -1.451 1.809 1.00 10.00 C ATOM 0 H ILE A 22 -1.881 -0.290 2.741 1.00 10.00 H new ATOM 0 HA ILE A 22 -1.536 -2.876 3.893 1.00 10.00 H new ATOM 0 HB ILE A 22 0.212 -0.413 3.913 1.00 10.00 H new ATOM 0 HG12 ILE A 22 0.124 -2.788 1.990 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.321 -1.135 1.613 1.00 10.00 H new ATOM 0 HG21 ILE A 22 2.135 -1.975 4.225 1.00 10.00 H new ATOM 0 HG22 ILE A 22 0.998 -2.016 5.594 1.00 10.00 H new ATOM 0 HG23 ILE A 22 0.987 -3.325 4.389 1.00 10.00 H new ATOM 0 HD11 ILE A 22 1.924 -1.659 0.747 1.00 10.00 H new ATOM 0 HD12 ILE A 22 2.019 -0.402 2.004 1.00 10.00 H new ATOM 0 HD13 ILE A 22 2.470 -2.081 2.387 1.00 10.00 H new ATOM 351 N SER A 23 -1.692 -0.287 6.002 1.00 10.00 N ATOM 352 CA SER A 23 -1.809 0.084 7.417 1.00 10.00 C ATOM 353 C SER A 23 -3.059 -0.520 8.072 1.00 10.00 C ATOM 354 O SER A 23 -2.957 -1.162 9.117 1.00 10.00 O ATOM 355 CB SER A 23 -1.796 1.609 7.548 1.00 10.00 C ATOM 356 OG SER A 23 -1.774 1.983 8.909 1.00 10.00 O ATOM 0 H SER A 23 -1.701 0.511 5.367 1.00 10.00 H new ATOM 0 HA SER A 23 -0.953 -0.329 7.950 1.00 10.00 H new ATOM 0 HB2 SER A 23 -0.924 2.017 7.037 1.00 10.00 H new ATOM 0 HB3 SER A 23 -2.676 2.030 7.062 1.00 10.00 H new ATOM 0 HG SER A 23 -1.764 2.960 8.980 1.00 10.00 H new ATOM 362 N ASP A 24 -4.223 -0.411 7.422 1.00 10.00 N ATOM 363 CA ASP A 24 -5.462 -1.046 7.859 1.00 10.00 C ATOM 364 C ASP A 24 -5.372 -2.577 7.798 1.00 10.00 C ATOM 365 O ASP A 24 -5.844 -3.223 8.731 1.00 10.00 O ATOM 366 CB ASP A 24 -6.651 -0.536 7.029 1.00 10.00 C ATOM 367 CG ASP A 24 -7.046 0.895 7.412 1.00 10.00 C ATOM 368 OD1 ASP A 24 -7.617 1.038 8.515 1.00 10.00 O ATOM 369 OD2 ASP A 24 -6.800 1.827 6.610 1.00 10.00 O ATOM 0 H ASP A 24 -4.328 0.131 6.564 1.00 10.00 H new ATOM 0 HA ASP A 24 -5.621 -0.773 8.902 1.00 10.00 H new ATOM 0 HB2 ASP A 24 -6.395 -0.571 5.970 1.00 10.00 H new ATOM 0 HB3 ASP A 24 -7.504 -1.199 7.173 1.00 10.00 H new ATOM 374 N PHE A 25 -4.729 -3.179 6.780 1.00 10.00 N ATOM 375 CA PHE A 25 -4.498 -4.631 6.772 1.00 10.00 C ATOM 376 C PHE A 25 -3.673 -5.055 7.992 1.00 10.00 C ATOM 377 O PHE A 25 -4.062 -5.994 8.687 1.00 10.00 O ATOM 378 CB PHE A 25 -3.813 -5.063 5.460 1.00 10.00 C ATOM 379 CG PHE A 25 -3.585 -6.561 5.283 1.00 10.00 C ATOM 380 CD1 PHE A 25 -2.618 -7.245 6.051 1.00 10.00 C ATOM 381 CD2 PHE A 25 -4.304 -7.271 4.301 1.00 10.00 C ATOM 382 CE1 PHE A 25 -2.400 -8.621 5.868 1.00 10.00 C ATOM 383 CE2 PHE A 25 -4.091 -8.650 4.121 1.00 10.00 C ATOM 384 CZ PHE A 25 -3.147 -9.327 4.911 1.00 10.00 C ATOM 0 H PHE A 25 -4.365 -2.688 5.963 1.00 10.00 H new ATOM 0 HA PHE A 25 -5.463 -5.135 6.830 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -4.416 -4.707 4.625 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.849 -4.559 5.395 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.040 -6.705 6.787 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -5.023 -6.754 3.683 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -1.659 -9.135 6.462 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -4.654 -9.189 3.374 1.00 10.00 H new ATOM 0 HZ PHE A 25 -2.996 -10.389 4.783 1.00 10.00 H new ATOM 394 N ILE A 26 -2.590 -4.329 8.308 1.00 10.00 N ATOM 395 CA ILE A 26 -1.754 -4.590 9.469 1.00 10.00 C ATOM 396 C ILE A 26 -2.582 -4.426 10.744 1.00 10.00 C ATOM 397 O ILE A 26 -2.661 -5.383 11.506 1.00 10.00 O ATOM 398 CB ILE A 26 -0.496 -3.692 9.405 1.00 10.00 C ATOM 399 CG1 ILE A 26 0.475 -4.249 8.336 1.00 10.00 C ATOM 400 CG2 ILE A 26 0.186 -3.604 10.773 1.00 10.00 C ATOM 401 CD1 ILE A 26 1.711 -3.375 8.092 1.00 10.00 C ATOM 0 H ILE A 26 -2.274 -3.535 7.751 1.00 10.00 H new ATOM 0 HA ILE A 26 -1.394 -5.619 9.476 1.00 10.00 H new ATOM 0 HB ILE A 26 -0.793 -2.681 9.125 1.00 10.00 H new ATOM 0 HG12 ILE A 26 0.802 -5.243 8.641 1.00 10.00 H new ATOM 0 HG13 ILE A 26 -0.065 -4.365 7.396 1.00 10.00 H new ATOM 0 HG21 ILE A 26 1.067 -2.967 10.700 1.00 10.00 H new ATOM 0 HG22 ILE A 26 -0.508 -3.181 11.499 1.00 10.00 H new ATOM 0 HG23 ILE A 26 0.485 -4.601 11.095 1.00 10.00 H new ATOM 0 HD11 ILE A 26 2.338 -3.837 7.330 1.00 10.00 H new ATOM 0 HD12 ILE A 26 1.397 -2.387 7.754 1.00 10.00 H new ATOM 0 HD13 ILE A 26 2.277 -3.279 9.018 1.00 10.00 H new ATOM 413 N LEU A 27 -3.273 -3.297 10.946 1.00 10.00 N ATOM 414 CA LEU A 27 -4.106 -3.059 12.134 1.00 10.00 C ATOM 415 C LEU A 27 -5.228 -4.097 12.311 1.00 10.00 C ATOM 416 O LEU A 27 -5.572 -4.436 13.443 1.00 10.00 O ATOM 417 CB LEU A 27 -4.691 -1.628 12.077 1.00 10.00 C ATOM 418 CG LEU A 27 -3.926 -0.559 12.881 1.00 10.00 C ATOM 419 CD1 LEU A 27 -4.066 -0.797 14.389 1.00 10.00 C ATOM 420 CD2 LEU A 27 -2.439 -0.460 12.527 1.00 10.00 C ATOM 0 H LEU A 27 -3.271 -2.518 10.287 1.00 10.00 H new ATOM 0 HA LEU A 27 -3.460 -3.165 13.006 1.00 10.00 H new ATOM 0 HB2 LEU A 27 -4.730 -1.313 11.034 1.00 10.00 H new ATOM 0 HB3 LEU A 27 -5.719 -1.661 12.438 1.00 10.00 H new ATOM 0 HG LEU A 27 -4.388 0.388 12.602 1.00 10.00 H new ATOM 0 HD11 LEU A 27 -3.516 -0.028 14.931 1.00 10.00 H new ATOM 0 HD12 LEU A 27 -5.119 -0.755 14.668 1.00 10.00 H new ATOM 0 HD13 LEU A 27 -3.663 -1.778 14.642 1.00 10.00 H new ATOM 0 HD21 LEU A 27 -1.971 0.314 13.135 1.00 10.00 H new ATOM 0 HD22 LEU A 27 -1.954 -1.417 12.721 1.00 10.00 H new ATOM 0 HD23 LEU A 27 -2.332 -0.207 11.472 1.00 10.00 H new ATOM 432 N LYS A 28 -5.776 -4.627 11.208 1.00 10.00 N ATOM 433 CA LYS A 28 -6.800 -5.684 11.209 1.00 10.00 C ATOM 434 C LYS A 28 -6.214 -7.105 11.300 1.00 10.00 C ATOM 435 O LYS A 28 -6.985 -8.058 11.395 1.00 10.00 O ATOM 436 CB LYS A 28 -7.696 -5.515 9.968 1.00 10.00 C ATOM 437 CG LYS A 28 -8.550 -4.234 10.059 1.00 10.00 C ATOM 438 CD LYS A 28 -9.128 -3.787 8.710 1.00 10.00 C ATOM 439 CE LYS A 28 -10.059 -4.834 8.093 1.00 10.00 C ATOM 440 NZ LYS A 28 -10.573 -4.372 6.783 1.00 10.00 N ATOM 0 H LYS A 28 -5.514 -4.327 10.269 1.00 10.00 H new ATOM 0 HA LYS A 28 -7.398 -5.569 12.113 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -7.076 -5.477 9.072 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -8.348 -6.382 9.868 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -9.369 -4.402 10.759 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -7.940 -3.429 10.469 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -9.675 -2.854 8.844 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -8.311 -3.581 8.019 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -9.523 -5.775 7.968 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -10.892 -5.029 8.768 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -11.202 -5.096 6.382 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -11.102 -3.486 6.911 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -9.776 -4.209 6.135 1.00 10.00 H new ATOM 454 N ARG A 29 -4.880 -7.255 11.313 1.00 10.00 N ATOM 455 CA ARG A 29 -4.167 -8.542 11.403 1.00 10.00 C ATOM 456 C ARG A 29 -3.299 -8.662 12.669 1.00 10.00 C ATOM 457 O ARG A 29 -3.219 -9.753 13.226 1.00 10.00 O ATOM 458 CB ARG A 29 -3.372 -8.711 10.098 1.00 10.00 C ATOM 459 CG ARG A 29 -2.532 -9.985 9.981 1.00 10.00 C ATOM 460 CD ARG A 29 -3.323 -11.301 10.059 1.00 10.00 C ATOM 461 NE ARG A 29 -2.480 -12.455 9.683 1.00 10.00 N ATOM 462 CZ ARG A 29 -2.122 -12.803 8.453 1.00 10.00 C ATOM 463 NH1 ARG A 29 -2.541 -12.199 7.371 1.00 10.00 N ATOM 464 NH2 ARG A 29 -1.267 -13.763 8.247 1.00 10.00 N ATOM 0 H ARG A 29 -4.246 -6.458 11.259 1.00 10.00 H new ATOM 0 HA ARG A 29 -4.880 -9.360 11.508 1.00 10.00 H new ATOM 0 HB2 ARG A 29 -4.073 -8.684 9.264 1.00 10.00 H new ATOM 0 HB3 ARG A 29 -2.710 -7.852 9.986 1.00 10.00 H new ATOM 0 HG2 ARG A 29 -1.993 -9.960 9.034 1.00 10.00 H new ATOM 0 HG3 ARG A 29 -1.784 -9.982 10.774 1.00 10.00 H new ATOM 0 HD2 ARG A 29 -3.704 -11.440 11.071 1.00 10.00 H new ATOM 0 HD3 ARG A 29 -4.188 -11.248 9.397 1.00 10.00 H new ATOM 0 HE ARG A 29 -2.139 -13.042 10.444 1.00 10.00 H new ATOM 0 HH11 ARG A 29 -3.182 -11.409 7.444 1.00 10.00 H new ATOM 0 HH12 ARG A 29 -2.226 -12.518 6.455 1.00 10.00 H new ATOM 0 HH21 ARG A 29 -0.860 -14.262 9.038 1.00 10.00 H new ATOM 0 HH22 ARG A 29 -1.004 -14.016 7.295 1.00 10.00 H new ATOM 478 N VAL A 30 -2.719 -7.560 13.160 1.00 10.00 N ATOM 479 CA VAL A 30 -2.042 -7.430 14.459 1.00 10.00 C ATOM 480 C VAL A 30 -2.392 -6.066 15.073 1.00 10.00 C ATOM 481 O VAL A 30 -2.228 -5.025 14.440 1.00 10.00 O ATOM 482 CB VAL A 30 -0.507 -7.548 14.315 1.00 10.00 C ATOM 483 CG1 VAL A 30 0.167 -7.510 15.692 1.00 10.00 C ATOM 484 CG2 VAL A 30 -0.072 -8.847 13.632 1.00 10.00 C ATOM 0 H VAL A 30 -2.708 -6.686 12.634 1.00 10.00 H new ATOM 0 HA VAL A 30 -2.383 -8.239 15.105 1.00 10.00 H new ATOM 0 HB VAL A 30 -0.203 -6.702 13.699 1.00 10.00 H new ATOM 0 HG11 VAL A 30 1.247 -7.594 15.571 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -0.070 -6.568 16.187 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -0.196 -8.340 16.298 1.00 10.00 H new ATOM 0 HG21 VAL A 30 1.015 -8.873 13.559 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -0.417 -9.699 14.217 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -0.504 -8.895 12.632 1.00 10.00 H new ATOM 494 N SER A 31 -2.834 -6.062 16.334 1.00 10.00 N ATOM 495 CA SER A 31 -3.155 -4.830 17.062 1.00 10.00 C ATOM 496 C SER A 31 -1.903 -4.009 17.392 1.00 10.00 C ATOM 497 O SER A 31 -0.914 -4.545 17.889 1.00 10.00 O ATOM 498 CB SER A 31 -3.907 -5.162 18.351 1.00 10.00 C ATOM 499 OG SER A 31 -4.263 -3.963 19.013 1.00 10.00 O ATOM 0 H SER A 31 -2.979 -6.912 16.879 1.00 10.00 H new ATOM 0 HA SER A 31 -3.785 -4.225 16.410 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.801 -5.743 18.124 1.00 10.00 H new ATOM 0 HB3 SER A 31 -3.283 -5.777 19.000 1.00 10.00 H new ATOM 0 HG SER A 31 -4.747 -4.176 19.838 1.00 10.00 H new ATOM 505 N ALA A 32 -1.975 -2.687 17.195 1.00 10.00 N ATOM 506 CA ALA A 32 -0.920 -1.722 17.464 1.00 10.00 C ATOM 507 C ALA A 32 -0.304 -1.813 18.869 1.00 10.00 C ATOM 508 O ALA A 32 0.854 -1.444 19.019 1.00 10.00 O ATOM 509 CB ALA A 32 -1.434 -0.312 17.165 1.00 10.00 C ATOM 0 H ALA A 32 -2.817 -2.246 16.824 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.095 -1.971 16.797 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -0.645 0.413 17.366 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -1.729 -0.247 16.118 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -2.295 -0.097 17.798 1.00 10.00 H new ATOM 515 N LYS A 33 -1.007 -2.338 19.887 1.00 10.00 N ATOM 516 CA LYS A 33 -0.390 -2.618 21.198 1.00 10.00 C ATOM 517 C LYS A 33 0.817 -3.570 21.150 1.00 10.00 C ATOM 518 O LYS A 33 1.646 -3.550 22.053 1.00 10.00 O ATOM 519 CB LYS A 33 -1.428 -3.118 22.207 1.00 10.00 C ATOM 520 CG LYS A 33 -1.977 -4.535 21.949 1.00 10.00 C ATOM 521 CD LYS A 33 -2.721 -5.101 23.169 1.00 10.00 C ATOM 522 CE LYS A 33 -1.789 -5.416 24.354 1.00 10.00 C ATOM 523 NZ LYS A 33 -1.013 -6.664 24.155 1.00 10.00 N ATOM 0 H LYS A 33 -1.997 -2.576 19.830 1.00 10.00 H new ATOM 0 HA LYS A 33 0.005 -1.658 21.529 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -0.982 -3.096 23.201 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -2.265 -2.420 22.217 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -2.652 -4.511 21.093 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -1.154 -5.200 21.687 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -3.477 -4.385 23.490 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -3.247 -6.010 22.877 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -1.100 -4.584 24.500 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -2.382 -5.503 25.264 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -0.319 -6.767 24.922 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -1.659 -7.479 24.161 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -0.517 -6.622 23.242 1.00 10.00 H new ATOM 537 N GLU A 34 0.887 -4.402 20.112 1.00 10.00 N ATOM 538 CA GLU A 34 2.009 -5.299 19.810 1.00 10.00 C ATOM 539 C GLU A 34 3.110 -4.619 18.980 1.00 10.00 C ATOM 540 O GLU A 34 4.199 -5.174 18.835 1.00 10.00 O ATOM 541 CB GLU A 34 1.500 -6.485 18.971 1.00 10.00 C ATOM 542 CG GLU A 34 0.328 -7.276 19.567 1.00 10.00 C ATOM 543 CD GLU A 34 0.689 -7.883 20.921 1.00 10.00 C ATOM 544 OE1 GLU A 34 1.575 -8.769 20.935 1.00 10.00 O ATOM 545 OE2 GLU A 34 0.088 -7.447 21.930 1.00 10.00 O ATOM 0 H GLU A 34 0.134 -4.475 19.428 1.00 10.00 H new ATOM 0 HA GLU A 34 2.423 -5.608 20.770 1.00 10.00 H new ATOM 0 HB2 GLU A 34 1.199 -6.110 17.993 1.00 10.00 H new ATOM 0 HB3 GLU A 34 2.330 -7.172 18.808 1.00 10.00 H new ATOM 0 HG2 GLU A 34 -0.534 -6.619 19.681 1.00 10.00 H new ATOM 0 HG3 GLU A 34 0.036 -8.069 18.878 1.00 10.00 H new ATOM 552 N ILE A 35 2.828 -3.445 18.404 1.00 10.00 N ATOM 553 CA ILE A 35 3.659 -2.791 17.392 1.00 10.00 C ATOM 554 C ILE A 35 4.406 -1.606 18.017 1.00 10.00 C ATOM 555 O ILE A 35 3.801 -0.721 18.617 1.00 10.00 O ATOM 556 CB ILE A 35 2.748 -2.376 16.209 1.00 10.00 C ATOM 557 CG1 ILE A 35 2.115 -3.631 15.552 1.00 10.00 C ATOM 558 CG2 ILE A 35 3.483 -1.527 15.167 1.00 10.00 C ATOM 559 CD1 ILE A 35 1.141 -3.362 14.398 1.00 10.00 C ATOM 0 H ILE A 35 1.991 -2.910 18.637 1.00 10.00 H new ATOM 0 HA ILE A 35 4.422 -3.468 17.009 1.00 10.00 H new ATOM 0 HB ILE A 35 1.956 -1.749 16.618 1.00 10.00 H new ATOM 0 HG12 ILE A 35 2.918 -4.269 15.183 1.00 10.00 H new ATOM 0 HG13 ILE A 35 1.589 -4.195 16.322 1.00 10.00 H new ATOM 0 HG21 ILE A 35 2.797 -1.265 14.361 1.00 10.00 H new ATOM 0 HG22 ILE A 35 3.856 -0.617 15.637 1.00 10.00 H new ATOM 0 HG23 ILE A 35 4.320 -2.094 14.760 1.00 10.00 H new ATOM 0 HD11 ILE A 35 0.760 -4.309 14.015 1.00 10.00 H new ATOM 0 HD12 ILE A 35 0.310 -2.755 14.757 1.00 10.00 H new ATOM 0 HD13 ILE A 35 1.660 -2.831 13.600 1.00 10.00 H new ATOM 571 N VAL A 36 5.732 -1.577 17.846 1.00 10.00 N ATOM 572 CA VAL A 36 6.564 -0.413 18.174 1.00 10.00 C ATOM 573 C VAL A 36 6.285 0.694 17.159 1.00 10.00 C ATOM 574 O VAL A 36 5.957 1.808 17.557 1.00 10.00 O ATOM 575 CB VAL A 36 8.060 -0.798 18.186 1.00 10.00 C ATOM 576 CG1 VAL A 36 8.987 0.423 18.234 1.00 10.00 C ATOM 577 CG2 VAL A 36 8.364 -1.692 19.393 1.00 10.00 C ATOM 0 H VAL A 36 6.262 -2.365 17.474 1.00 10.00 H new ATOM 0 HA VAL A 36 6.316 -0.053 19.172 1.00 10.00 H new ATOM 0 HB VAL A 36 8.250 -1.329 17.253 1.00 10.00 H new ATOM 0 HG11 VAL A 36 10.025 0.091 18.241 1.00 10.00 H new ATOM 0 HG12 VAL A 36 8.811 1.048 17.358 1.00 10.00 H new ATOM 0 HG13 VAL A 36 8.784 0.999 19.137 1.00 10.00 H new ATOM 0 HG21 VAL A 36 9.421 -1.958 19.392 1.00 10.00 H new ATOM 0 HG22 VAL A 36 8.125 -1.156 20.312 1.00 10.00 H new ATOM 0 HG23 VAL A 36 7.762 -2.599 19.335 1.00 10.00 H new ATOM 587 N ASP A 37 6.376 0.372 15.861 1.00 10.00 N ATOM 588 CA ASP A 37 5.967 1.264 14.770 1.00 10.00 C ATOM 589 C ASP A 37 5.822 0.520 13.424 1.00 10.00 C ATOM 590 O ASP A 37 6.124 -0.674 13.314 1.00 10.00 O ATOM 591 CB ASP A 37 6.953 2.452 14.637 1.00 10.00 C ATOM 592 CG ASP A 37 6.238 3.766 14.291 1.00 10.00 C ATOM 593 OD1 ASP A 37 5.177 3.688 13.629 1.00 10.00 O ATOM 594 OD2 ASP A 37 6.754 4.830 14.699 1.00 10.00 O ATOM 0 H ASP A 37 6.739 -0.524 15.537 1.00 10.00 H new ATOM 0 HA ASP A 37 4.981 1.652 15.027 1.00 10.00 H new ATOM 0 HB2 ASP A 37 7.500 2.574 15.572 1.00 10.00 H new ATOM 0 HB3 ASP A 37 7.688 2.227 13.864 1.00 10.00 H new ATOM 599 N ILE A 38 5.396 1.252 12.389 1.00 10.00 N ATOM 600 CA ILE A 38 5.407 0.826 10.985 1.00 10.00 C ATOM 601 C ILE A 38 6.021 1.921 10.104 1.00 10.00 C ATOM 602 O ILE A 38 5.681 3.093 10.239 1.00 10.00 O ATOM 603 CB ILE A 38 3.994 0.451 10.456 1.00 10.00 C ATOM 604 CG1 ILE A 38 2.913 1.533 10.706 1.00 10.00 C ATOM 605 CG2 ILE A 38 3.554 -0.912 11.005 1.00 10.00 C ATOM 606 CD1 ILE A 38 1.524 1.191 10.146 1.00 10.00 C ATOM 0 H ILE A 38 5.020 2.192 12.510 1.00 10.00 H new ATOM 0 HA ILE A 38 6.017 -0.076 10.935 1.00 10.00 H new ATOM 0 HB ILE A 38 4.089 0.387 9.372 1.00 10.00 H new ATOM 0 HG12 ILE A 38 2.826 1.700 11.780 1.00 10.00 H new ATOM 0 HG13 ILE A 38 3.248 2.471 10.264 1.00 10.00 H new ATOM 0 HG21 ILE A 38 2.563 -1.155 10.623 1.00 10.00 H new ATOM 0 HG22 ILE A 38 4.263 -1.677 10.689 1.00 10.00 H new ATOM 0 HG23 ILE A 38 3.523 -0.873 12.094 1.00 10.00 H new ATOM 0 HD11 ILE A 38 0.832 2.004 10.367 1.00 10.00 H new ATOM 0 HD12 ILE A 38 1.590 1.055 9.067 1.00 10.00 H new ATOM 0 HD13 ILE A 38 1.162 0.271 10.606 1.00 10.00 H new ATOM 618 N ASP A 39 6.885 1.526 9.164 1.00 10.00 N ATOM 619 CA ASP A 39 7.323 2.409 8.076 1.00 10.00 C ATOM 620 C ASP A 39 6.662 1.865 6.814 1.00 10.00 C ATOM 621 O ASP A 39 6.728 0.667 6.540 1.00 10.00 O ATOM 622 CB ASP A 39 8.846 2.430 7.858 1.00 10.00 C ATOM 623 CG ASP A 39 9.664 3.193 8.894 1.00 10.00 C ATOM 624 OD1 ASP A 39 9.282 4.338 9.217 1.00 10.00 O ATOM 625 OD2 ASP A 39 10.705 2.631 9.315 1.00 10.00 O ATOM 0 H ASP A 39 7.298 0.594 9.134 1.00 10.00 H new ATOM 0 HA ASP A 39 7.043 3.433 8.323 1.00 10.00 H new ATOM 0 HB2 ASP A 39 9.202 1.400 7.831 1.00 10.00 H new ATOM 0 HB3 ASP A 39 9.046 2.862 6.878 1.00 10.00 H new ATOM 630 N ILE A 40 5.992 2.728 6.051 1.00 10.00 N ATOM 631 CA ILE A 40 5.431 2.369 4.749 1.00 10.00 C ATOM 632 C ILE A 40 5.858 3.450 3.765 1.00 10.00 C ATOM 633 O ILE A 40 5.572 4.630 3.965 1.00 10.00 O ATOM 634 CB ILE A 40 3.900 2.154 4.826 1.00 10.00 C ATOM 635 CG1 ILE A 40 3.591 0.850 5.597 1.00 10.00 C ATOM 636 CG2 ILE A 40 3.299 2.056 3.409 1.00 10.00 C ATOM 637 CD1 ILE A 40 2.149 0.695 6.073 1.00 10.00 C ATOM 0 H ILE A 40 5.823 3.698 6.319 1.00 10.00 H new ATOM 0 HA ILE A 40 5.813 1.409 4.403 1.00 10.00 H new ATOM 0 HB ILE A 40 3.458 3.004 5.346 1.00 10.00 H new ATOM 0 HG12 ILE A 40 3.837 0.003 4.957 1.00 10.00 H new ATOM 0 HG13 ILE A 40 4.249 0.796 6.464 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.222 1.905 3.480 1.00 10.00 H new ATOM 0 HG22 ILE A 40 3.501 2.978 2.864 1.00 10.00 H new ATOM 0 HG23 ILE A 40 3.749 1.216 2.880 1.00 10.00 H new ATOM 0 HD11 ILE A 40 2.040 -0.252 6.601 1.00 10.00 H new ATOM 0 HD12 ILE A 40 1.897 1.516 6.744 1.00 10.00 H new ATOM 0 HD13 ILE A 40 1.479 0.710 5.214 1.00 10.00 H new ATOM 649 N THR A 41 6.526 3.029 2.691 1.00 10.00 N ATOM 650 CA THR A 41 6.982 3.909 1.619 1.00 10.00 C ATOM 651 C THR A 41 6.325 3.458 0.322 1.00 10.00 C ATOM 652 O THR A 41 6.553 2.339 -0.137 1.00 10.00 O ATOM 653 CB THR A 41 8.514 3.844 1.514 1.00 10.00 C ATOM 654 OG1 THR A 41 9.093 4.314 2.709 1.00 10.00 O ATOM 655 CG2 THR A 41 9.058 4.715 0.382 1.00 10.00 C ATOM 0 H THR A 41 6.769 2.050 2.541 1.00 10.00 H new ATOM 0 HA THR A 41 6.704 4.943 1.823 1.00 10.00 H new ATOM 0 HB THR A 41 8.767 2.802 1.320 1.00 10.00 H new ATOM 0 HG1 THR A 41 10.069 4.269 2.639 1.00 10.00 H new ATOM 0 HG21 THR A 41 10.145 4.634 0.350 1.00 10.00 H new ATOM 0 HG22 THR A 41 8.641 4.379 -0.568 1.00 10.00 H new ATOM 0 HG23 THR A 41 8.777 5.754 0.555 1.00 10.00 H new ATOM 663 N VAL A 42 5.512 4.343 -0.264 1.00 10.00 N ATOM 664 CA VAL A 42 4.911 4.173 -1.588 1.00 10.00 C ATOM 665 C VAL A 42 5.437 5.257 -2.529 1.00 10.00 C ATOM 666 O VAL A 42 5.215 6.445 -2.290 1.00 10.00 O ATOM 667 CB VAL A 42 3.373 4.159 -1.504 1.00 10.00 C ATOM 668 CG1 VAL A 42 2.764 3.997 -2.904 1.00 10.00 C ATOM 669 CG2 VAL A 42 2.852 3.012 -0.627 1.00 10.00 C ATOM 0 H VAL A 42 5.248 5.221 0.183 1.00 10.00 H new ATOM 0 HA VAL A 42 5.200 3.204 -1.996 1.00 10.00 H new ATOM 0 HB VAL A 42 3.077 5.109 -1.059 1.00 10.00 H new ATOM 0 HG11 VAL A 42 1.677 3.989 -2.829 1.00 10.00 H new ATOM 0 HG12 VAL A 42 3.078 4.828 -3.536 1.00 10.00 H new ATOM 0 HG13 VAL A 42 3.105 3.059 -3.343 1.00 10.00 H new ATOM 0 HG21 VAL A 42 1.763 3.042 -0.597 1.00 10.00 H new ATOM 0 HG22 VAL A 42 3.177 2.059 -1.044 1.00 10.00 H new ATOM 0 HG23 VAL A 42 3.245 3.119 0.384 1.00 10.00 H new ATOM 679 N LEU A 43 6.091 4.842 -3.615 1.00 10.00 N ATOM 680 CA LEU A 43 6.620 5.697 -4.680 1.00 10.00 C ATOM 681 C LEU A 43 5.908 5.354 -5.990 1.00 10.00 C ATOM 682 O LEU A 43 5.655 4.187 -6.272 1.00 10.00 O ATOM 683 CB LEU A 43 8.148 5.512 -4.812 1.00 10.00 C ATOM 684 CG LEU A 43 8.972 6.680 -4.238 1.00 10.00 C ATOM 685 CD1 LEU A 43 8.827 6.821 -2.722 1.00 10.00 C ATOM 686 CD2 LEU A 43 10.455 6.475 -4.560 1.00 10.00 C ATOM 0 H LEU A 43 6.275 3.853 -3.784 1.00 10.00 H new ATOM 0 HA LEU A 43 6.437 6.744 -4.438 1.00 10.00 H new ATOM 0 HB2 LEU A 43 8.438 4.592 -4.304 1.00 10.00 H new ATOM 0 HB3 LEU A 43 8.399 5.387 -5.865 1.00 10.00 H new ATOM 0 HG LEU A 43 8.587 7.588 -4.702 1.00 10.00 H new ATOM 0 HD11 LEU A 43 9.430 7.660 -2.375 1.00 10.00 H new ATOM 0 HD12 LEU A 43 7.781 6.998 -2.471 1.00 10.00 H new ATOM 0 HD13 LEU A 43 9.166 5.906 -2.237 1.00 10.00 H new ATOM 0 HD21 LEU A 43 11.034 7.304 -4.152 1.00 10.00 H new ATOM 0 HD22 LEU A 43 10.798 5.540 -4.117 1.00 10.00 H new ATOM 0 HD23 LEU A 43 10.591 6.435 -5.641 1.00 10.00 H new ATOM 698 N VAL A 44 5.566 6.368 -6.787 1.00 10.00 N ATOM 699 CA VAL A 44 4.923 6.196 -8.094 1.00 10.00 C ATOM 700 C VAL A 44 5.538 7.187 -9.083 1.00 10.00 C ATOM 701 O VAL A 44 5.662 8.373 -8.780 1.00 10.00 O ATOM 702 CB VAL A 44 3.386 6.322 -7.960 1.00 10.00 C ATOM 703 CG1 VAL A 44 2.907 7.635 -7.323 1.00 10.00 C ATOM 704 CG2 VAL A 44 2.689 6.129 -9.313 1.00 10.00 C ATOM 0 H VAL A 44 5.729 7.344 -6.541 1.00 10.00 H new ATOM 0 HA VAL A 44 5.103 5.195 -8.485 1.00 10.00 H new ATOM 0 HB VAL A 44 3.106 5.521 -7.275 1.00 10.00 H new ATOM 0 HG11 VAL A 44 1.818 7.637 -7.269 1.00 10.00 H new ATOM 0 HG12 VAL A 44 3.321 7.724 -6.318 1.00 10.00 H new ATOM 0 HG13 VAL A 44 3.242 8.477 -7.929 1.00 10.00 H new ATOM 0 HG21 VAL A 44 1.611 6.224 -9.184 1.00 10.00 H new ATOM 0 HG22 VAL A 44 3.038 6.887 -10.014 1.00 10.00 H new ATOM 0 HG23 VAL A 44 2.922 5.139 -9.704 1.00 10.00 H new ATOM 714 N GLU A 45 5.932 6.700 -10.264 1.00 10.00 N ATOM 715 CA GLU A 45 6.568 7.511 -11.304 1.00 10.00 C ATOM 716 C GLU A 45 6.298 6.962 -12.712 1.00 10.00 C ATOM 717 O GLU A 45 5.933 5.797 -12.900 1.00 10.00 O ATOM 718 CB GLU A 45 8.076 7.694 -11.041 1.00 10.00 C ATOM 719 CG GLU A 45 8.910 6.409 -11.113 1.00 10.00 C ATOM 720 CD GLU A 45 10.400 6.737 -11.270 1.00 10.00 C ATOM 721 OE1 GLU A 45 10.996 7.224 -10.286 1.00 10.00 O ATOM 722 OE2 GLU A 45 10.926 6.499 -12.385 1.00 10.00 O ATOM 0 H GLU A 45 5.817 5.721 -10.526 1.00 10.00 H new ATOM 0 HA GLU A 45 6.110 8.499 -11.259 1.00 10.00 H new ATOM 0 HB2 GLU A 45 8.471 8.406 -11.765 1.00 10.00 H new ATOM 0 HB3 GLU A 45 8.206 8.138 -10.054 1.00 10.00 H new ATOM 0 HG2 GLU A 45 8.756 5.819 -10.210 1.00 10.00 H new ATOM 0 HG3 GLU A 45 8.576 5.800 -11.953 1.00 10.00 H new ATOM 729 N TYR A 46 6.470 7.829 -13.716 1.00 10.00 N ATOM 730 CA TYR A 46 6.097 7.528 -15.091 1.00 10.00 C ATOM 731 C TYR A 46 7.239 7.987 -16.012 1.00 10.00 C ATOM 732 O TYR A 46 7.541 9.177 -16.085 1.00 10.00 O ATOM 733 CB TYR A 46 4.748 8.216 -15.365 1.00 10.00 C ATOM 734 CG TYR A 46 3.927 7.680 -16.528 1.00 10.00 C ATOM 735 CD1 TYR A 46 4.486 7.449 -17.801 1.00 10.00 C ATOM 736 CD2 TYR A 46 2.568 7.382 -16.305 1.00 10.00 C ATOM 737 CE1 TYR A 46 3.699 6.893 -18.827 1.00 10.00 C ATOM 738 CE2 TYR A 46 1.773 6.837 -17.327 1.00 10.00 C ATOM 739 CZ TYR A 46 2.345 6.573 -18.590 1.00 10.00 C ATOM 740 OH TYR A 46 1.597 6.006 -19.574 1.00 10.00 O ATOM 0 H TYR A 46 6.872 8.758 -13.592 1.00 10.00 H new ATOM 0 HA TYR A 46 5.960 6.463 -15.278 1.00 10.00 H new ATOM 0 HB2 TYR A 46 4.142 8.147 -14.462 1.00 10.00 H new ATOM 0 HB3 TYR A 46 4.937 9.275 -15.542 1.00 10.00 H new ATOM 0 HD1 TYR A 46 5.520 7.699 -17.990 1.00 10.00 H new ATOM 0 HD2 TYR A 46 2.132 7.575 -15.336 1.00 10.00 H new ATOM 0 HE1 TYR A 46 4.133 6.711 -19.799 1.00 10.00 H new ATOM 0 HE2 TYR A 46 0.730 6.621 -17.147 1.00 10.00 H new ATOM 0 HH TYR A 46 0.687 5.849 -19.244 1.00 10.00 H new ATOM 750 N THR A 47 7.912 7.042 -16.678 1.00 10.00 N ATOM 751 CA THR A 47 9.025 7.313 -17.606 1.00 10.00 C ATOM 752 C THR A 47 8.764 6.534 -18.899 1.00 10.00 C ATOM 753 O THR A 47 9.356 5.481 -19.112 1.00 10.00 O ATOM 754 CB THR A 47 10.371 6.896 -16.959 1.00 10.00 C ATOM 755 OG1 THR A 47 10.375 7.053 -15.554 1.00 10.00 O ATOM 756 CG2 THR A 47 11.540 7.699 -17.527 1.00 10.00 C ATOM 0 H THR A 47 7.698 6.049 -16.588 1.00 10.00 H new ATOM 0 HA THR A 47 9.088 8.378 -17.831 1.00 10.00 H new ATOM 0 HB THR A 47 10.488 5.839 -17.198 1.00 10.00 H new ATOM 0 HG1 THR A 47 11.286 6.930 -15.214 1.00 10.00 H new ATOM 0 HG21 THR A 47 12.467 7.380 -17.050 1.00 10.00 H new ATOM 0 HG22 THR A 47 11.608 7.531 -18.602 1.00 10.00 H new ATOM 0 HG23 THR A 47 11.380 8.760 -17.335 1.00 10.00 H new ATOM 764 N ASP A 48 7.900 7.059 -19.781 1.00 10.00 N ATOM 765 CA ASP A 48 7.282 6.348 -20.932 1.00 10.00 C ATOM 766 C ASP A 48 6.442 5.106 -20.518 1.00 10.00 C ATOM 767 O ASP A 48 5.347 4.882 -21.030 1.00 10.00 O ATOM 768 CB ASP A 48 8.329 6.033 -22.015 1.00 10.00 C ATOM 769 CG ASP A 48 7.674 5.730 -23.364 1.00 10.00 C ATOM 770 OD1 ASP A 48 7.019 6.656 -23.892 1.00 10.00 O ATOM 771 OD2 ASP A 48 7.853 4.594 -23.857 1.00 10.00 O ATOM 0 H ASP A 48 7.594 8.030 -19.717 1.00 10.00 H new ATOM 0 HA ASP A 48 6.557 7.033 -21.371 1.00 10.00 H new ATOM 0 HB2 ASP A 48 9.008 6.879 -22.122 1.00 10.00 H new ATOM 0 HB3 ASP A 48 8.930 5.179 -21.702 1.00 10.00 H new ATOM 776 N GLU A 49 6.894 4.393 -19.486 1.00 10.00 N ATOM 777 CA GLU A 49 6.239 3.335 -18.723 1.00 10.00 C ATOM 778 C GLU A 49 5.650 3.932 -17.428 1.00 10.00 C ATOM 779 O GLU A 49 6.124 4.962 -16.951 1.00 10.00 O ATOM 780 CB GLU A 49 7.322 2.290 -18.349 1.00 10.00 C ATOM 781 CG GLU A 49 8.239 2.779 -17.201 1.00 10.00 C ATOM 782 CD GLU A 49 9.571 2.044 -17.028 1.00 10.00 C ATOM 783 OE1 GLU A 49 9.682 0.882 -17.474 1.00 10.00 O ATOM 784 OE2 GLU A 49 10.455 2.665 -16.385 1.00 10.00 O ATOM 0 H GLU A 49 7.833 4.564 -19.126 1.00 10.00 H new ATOM 0 HA GLU A 49 5.439 2.878 -19.306 1.00 10.00 H new ATOM 0 HB2 GLU A 49 6.839 1.359 -18.053 1.00 10.00 H new ATOM 0 HB3 GLU A 49 7.929 2.069 -19.227 1.00 10.00 H new ATOM 0 HG2 GLU A 49 8.451 3.836 -17.361 1.00 10.00 H new ATOM 0 HG3 GLU A 49 7.684 2.703 -16.266 1.00 10.00 H new ATOM 791 N LEU A 50 4.680 3.259 -16.803 1.00 10.00 N ATOM 792 CA LEU A 50 4.207 3.583 -15.452 1.00 10.00 C ATOM 793 C LEU A 50 4.763 2.537 -14.481 1.00 10.00 C ATOM 794 O LEU A 50 4.559 1.343 -14.711 1.00 10.00 O ATOM 795 CB LEU A 50 2.663 3.574 -15.442 1.00 10.00 C ATOM 796 CG LEU A 50 2.010 3.616 -14.041 1.00 10.00 C ATOM 797 CD1 LEU A 50 2.340 4.884 -13.249 1.00 10.00 C ATOM 798 CD2 LEU A 50 0.488 3.510 -14.171 1.00 10.00 C ATOM 0 H LEU A 50 4.196 2.466 -17.224 1.00 10.00 H new ATOM 0 HA LEU A 50 4.549 4.572 -15.147 1.00 10.00 H new ATOM 0 HB2 LEU A 50 2.308 4.430 -16.016 1.00 10.00 H new ATOM 0 HB3 LEU A 50 2.318 2.678 -15.959 1.00 10.00 H new ATOM 0 HG LEU A 50 2.422 2.769 -13.493 1.00 10.00 H new ATOM 0 HD11 LEU A 50 1.848 4.844 -12.277 1.00 10.00 H new ATOM 0 HD12 LEU A 50 3.418 4.954 -13.107 1.00 10.00 H new ATOM 0 HD13 LEU A 50 1.989 5.758 -13.798 1.00 10.00 H new ATOM 0 HD21 LEU A 50 0.035 3.540 -13.180 1.00 10.00 H new ATOM 0 HD22 LEU A 50 0.115 4.343 -14.766 1.00 10.00 H new ATOM 0 HD23 LEU A 50 0.229 2.571 -14.660 1.00 10.00 H new ATOM 810 N LYS A 51 5.393 2.971 -13.378 1.00 10.00 N ATOM 811 CA LYS A 51 5.732 2.067 -12.272 1.00 10.00 C ATOM 812 C LYS A 51 5.415 2.662 -10.900 1.00 10.00 C ATOM 813 O LYS A 51 5.392 3.876 -10.692 1.00 10.00 O ATOM 814 CB LYS A 51 7.160 1.496 -12.363 1.00 10.00 C ATOM 815 CG LYS A 51 8.333 2.464 -12.143 1.00 10.00 C ATOM 816 CD LYS A 51 8.767 3.195 -13.420 1.00 10.00 C ATOM 817 CE LYS A 51 10.188 3.724 -13.216 1.00 10.00 C ATOM 818 NZ LYS A 51 10.699 4.449 -14.399 1.00 10.00 N ATOM 0 H LYS A 51 5.676 3.940 -13.230 1.00 10.00 H new ATOM 0 HA LYS A 51 5.071 1.208 -12.387 1.00 10.00 H new ATOM 0 HB2 LYS A 51 7.247 0.693 -11.632 1.00 10.00 H new ATOM 0 HB3 LYS A 51 7.278 1.045 -13.348 1.00 10.00 H new ATOM 0 HG2 LYS A 51 8.051 3.200 -11.390 1.00 10.00 H new ATOM 0 HG3 LYS A 51 9.182 1.909 -11.744 1.00 10.00 H new ATOM 0 HD2 LYS A 51 8.733 2.518 -14.274 1.00 10.00 H new ATOM 0 HD3 LYS A 51 8.084 4.016 -13.637 1.00 10.00 H new ATOM 0 HE2 LYS A 51 10.204 4.388 -12.352 1.00 10.00 H new ATOM 0 HE3 LYS A 51 10.853 2.891 -12.990 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 11.739 4.460 -14.377 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 10.376 3.972 -15.265 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 10.342 5.426 -14.389 1.00 10.00 H new ATOM 832 N VAL A 52 5.110 1.749 -9.984 1.00 10.00 N ATOM 833 CA VAL A 52 4.765 2.004 -8.592 1.00 10.00 C ATOM 834 C VAL A 52 5.506 0.986 -7.731 1.00 10.00 C ATOM 835 O VAL A 52 5.523 -0.207 -8.036 1.00 10.00 O ATOM 836 CB VAL A 52 3.234 1.993 -8.403 1.00 10.00 C ATOM 837 CG1 VAL A 52 2.567 0.712 -8.923 1.00 10.00 C ATOM 838 CG2 VAL A 52 2.818 2.228 -6.945 1.00 10.00 C ATOM 0 H VAL A 52 5.097 0.754 -10.207 1.00 10.00 H new ATOM 0 HA VAL A 52 5.081 2.999 -8.277 1.00 10.00 H new ATOM 0 HB VAL A 52 2.879 2.827 -9.008 1.00 10.00 H new ATOM 0 HG11 VAL A 52 1.491 0.770 -8.759 1.00 10.00 H new ATOM 0 HG12 VAL A 52 2.767 0.605 -9.989 1.00 10.00 H new ATOM 0 HG13 VAL A 52 2.969 -0.150 -8.390 1.00 10.00 H new ATOM 0 HG21 VAL A 52 1.731 2.210 -6.869 1.00 10.00 H new ATOM 0 HG22 VAL A 52 3.238 1.443 -6.316 1.00 10.00 H new ATOM 0 HG23 VAL A 52 3.189 3.197 -6.613 1.00 10.00 H new ATOM 848 N ASP A 53 6.107 1.471 -6.651 1.00 10.00 N ATOM 849 CA ASP A 53 7.046 0.746 -5.810 1.00 10.00 C ATOM 850 C ASP A 53 6.630 0.931 -4.351 1.00 10.00 C ATOM 851 O ASP A 53 6.338 2.043 -3.906 1.00 10.00 O ATOM 852 CB ASP A 53 8.463 1.271 -6.076 1.00 10.00 C ATOM 853 CG ASP A 53 8.939 0.902 -7.485 1.00 10.00 C ATOM 854 OD1 ASP A 53 9.471 -0.221 -7.621 1.00 10.00 O ATOM 855 OD2 ASP A 53 8.760 1.735 -8.404 1.00 10.00 O ATOM 0 H ASP A 53 5.944 2.424 -6.325 1.00 10.00 H new ATOM 0 HA ASP A 53 7.040 -0.321 -6.035 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.480 2.354 -5.956 1.00 10.00 H new ATOM 0 HB3 ASP A 53 9.151 0.858 -5.338 1.00 10.00 H new ATOM 860 N ILE A 54 6.559 -0.185 -3.623 1.00 10.00 N ATOM 861 CA ILE A 54 5.978 -0.256 -2.285 1.00 10.00 C ATOM 862 C ILE A 54 6.941 -1.011 -1.368 1.00 10.00 C ATOM 863 O ILE A 54 7.365 -2.119 -1.692 1.00 10.00 O ATOM 864 CB ILE A 54 4.591 -0.951 -2.332 1.00 10.00 C ATOM 865 CG1 ILE A 54 3.613 -0.259 -3.314 1.00 10.00 C ATOM 866 CG2 ILE A 54 3.967 -1.011 -0.927 1.00 10.00 C ATOM 867 CD1 ILE A 54 2.189 -0.840 -3.312 1.00 10.00 C ATOM 0 H ILE A 54 6.912 -1.082 -3.956 1.00 10.00 H new ATOM 0 HA ILE A 54 5.827 0.750 -1.894 1.00 10.00 H new ATOM 0 HB ILE A 54 4.761 -1.963 -2.698 1.00 10.00 H new ATOM 0 HG12 ILE A 54 3.559 0.801 -3.067 1.00 10.00 H new ATOM 0 HG13 ILE A 54 4.020 -0.331 -4.323 1.00 10.00 H new ATOM 0 HG21 ILE A 54 2.995 -1.502 -0.981 1.00 10.00 H new ATOM 0 HG22 ILE A 54 4.621 -1.574 -0.262 1.00 10.00 H new ATOM 0 HG23 ILE A 54 3.842 0.001 -0.541 1.00 10.00 H new ATOM 0 HD11 ILE A 54 1.573 -0.296 -4.028 1.00 10.00 H new ATOM 0 HD12 ILE A 54 2.225 -1.893 -3.591 1.00 10.00 H new ATOM 0 HD13 ILE A 54 1.758 -0.743 -2.316 1.00 10.00 H new ATOM 879 N SER A 55 7.227 -0.429 -0.203 1.00 10.00 N ATOM 880 CA SER A 55 7.907 -1.096 0.908 1.00 10.00 C ATOM 881 C SER A 55 7.064 -0.882 2.155 1.00 10.00 C ATOM 882 O SER A 55 6.579 0.228 2.390 1.00 10.00 O ATOM 883 CB SER A 55 9.322 -0.553 1.129 1.00 10.00 C ATOM 884 OG SER A 55 10.074 -1.477 1.896 1.00 10.00 O ATOM 0 H SER A 55 6.987 0.541 -0.001 1.00 10.00 H new ATOM 0 HA SER A 55 8.013 -2.156 0.679 1.00 10.00 H new ATOM 0 HB2 SER A 55 9.810 -0.380 0.170 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.277 0.408 1.641 1.00 10.00 H new ATOM 0 HG SER A 55 9.609 -1.656 2.740 1.00 10.00 H new ATOM 890 N ALA A 56 6.867 -1.947 2.930 1.00 10.00 N ATOM 891 CA ALA A 56 6.275 -1.854 4.250 1.00 10.00 C ATOM 892 C ALA A 56 7.132 -2.630 5.247 1.00 10.00 C ATOM 893 O ALA A 56 7.544 -3.763 4.992 1.00 10.00 O ATOM 894 CB ALA A 56 4.836 -2.369 4.193 1.00 10.00 C ATOM 0 H ALA A 56 7.116 -2.897 2.654 1.00 10.00 H new ATOM 0 HA ALA A 56 6.242 -0.818 4.586 1.00 10.00 H new ATOM 0 HB1 ALA A 56 4.386 -2.301 5.183 1.00 10.00 H new ATOM 0 HB2 ALA A 56 4.261 -1.765 3.491 1.00 10.00 H new ATOM 0 HB3 ALA A 56 4.834 -3.408 3.864 1.00 10.00 H new ATOM 900 N GLU A 57 7.313 -2.032 6.419 1.00 10.00 N ATOM 901 CA GLU A 57 8.136 -2.532 7.502 1.00 10.00 C ATOM 902 C GLU A 57 7.295 -2.516 8.776 1.00 10.00 C ATOM 903 O GLU A 57 6.601 -1.539 9.067 1.00 10.00 O ATOM 904 CB GLU A 57 9.369 -1.641 7.699 1.00 10.00 C ATOM 905 CG GLU A 57 10.377 -1.573 6.540 1.00 10.00 C ATOM 906 CD GLU A 57 9.943 -0.728 5.317 1.00 10.00 C ATOM 907 OE1 GLU A 57 9.913 0.514 5.435 1.00 10.00 O ATOM 908 OE2 GLU A 57 9.700 -1.311 4.228 1.00 10.00 O ATOM 0 H GLU A 57 6.866 -1.143 6.646 1.00 10.00 H new ATOM 0 HA GLU A 57 8.476 -3.541 7.270 1.00 10.00 H new ATOM 0 HB2 GLU A 57 9.024 -0.628 7.907 1.00 10.00 H new ATOM 0 HB3 GLU A 57 9.898 -1.987 8.587 1.00 10.00 H new ATOM 0 HG2 GLU A 57 11.315 -1.169 6.922 1.00 10.00 H new ATOM 0 HG3 GLU A 57 10.582 -2.589 6.202 1.00 10.00 H new ATOM 915 N LEU A 58 7.376 -3.606 9.539 1.00 10.00 N ATOM 916 CA LEU A 58 6.538 -3.858 10.702 1.00 10.00 C ATOM 917 C LEU A 58 7.444 -4.163 11.888 1.00 10.00 C ATOM 918 O LEU A 58 8.008 -5.254 11.984 1.00 10.00 O ATOM 919 CB LEU A 58 5.564 -4.998 10.352 1.00 10.00 C ATOM 920 CG LEU A 58 4.702 -5.500 11.524 1.00 10.00 C ATOM 921 CD1 LEU A 58 3.816 -4.408 12.121 1.00 10.00 C ATOM 922 CD2 LEU A 58 3.808 -6.639 11.033 1.00 10.00 C ATOM 0 H LEU A 58 8.045 -4.355 9.357 1.00 10.00 H new ATOM 0 HA LEU A 58 5.933 -2.995 10.981 1.00 10.00 H new ATOM 0 HB2 LEU A 58 4.903 -4.659 9.554 1.00 10.00 H new ATOM 0 HB3 LEU A 58 6.137 -5.837 9.957 1.00 10.00 H new ATOM 0 HG LEU A 58 5.385 -5.834 12.305 1.00 10.00 H new ATOM 0 HD11 LEU A 58 3.232 -4.822 12.943 1.00 10.00 H new ATOM 0 HD12 LEU A 58 4.440 -3.596 12.493 1.00 10.00 H new ATOM 0 HD13 LEU A 58 3.142 -4.026 11.354 1.00 10.00 H new ATOM 0 HD21 LEU A 58 3.194 -7.001 11.858 1.00 10.00 H new ATOM 0 HD22 LEU A 58 3.164 -6.276 10.232 1.00 10.00 H new ATOM 0 HD23 LEU A 58 4.429 -7.453 10.659 1.00 10.00 H new ATOM 934 N TYR A 59 7.586 -3.186 12.786 1.00 10.00 N ATOM 935 CA TYR A 59 8.483 -3.296 13.924 1.00 10.00 C ATOM 936 C TYR A 59 7.636 -3.663 15.147 1.00 10.00 C ATOM 937 O TYR A 59 6.920 -2.828 15.703 1.00 10.00 O ATOM 938 CB TYR A 59 9.276 -1.990 14.091 1.00 10.00 C ATOM 939 CG TYR A 59 9.917 -1.434 12.823 1.00 10.00 C ATOM 940 CD1 TYR A 59 11.173 -1.890 12.365 1.00 10.00 C ATOM 941 CD2 TYR A 59 9.266 -0.401 12.122 1.00 10.00 C ATOM 942 CE1 TYR A 59 11.804 -1.254 11.274 1.00 10.00 C ATOM 943 CE2 TYR A 59 9.890 0.234 11.041 1.00 10.00 C ATOM 944 CZ TYR A 59 11.180 -0.161 10.635 1.00 10.00 C ATOM 945 OH TYR A 59 11.834 0.532 9.664 1.00 10.00 O ATOM 0 H TYR A 59 7.081 -2.301 12.740 1.00 10.00 H new ATOM 0 HA TYR A 59 9.229 -4.078 13.783 1.00 10.00 H new ATOM 0 HB2 TYR A 59 8.608 -1.232 14.500 1.00 10.00 H new ATOM 0 HB3 TYR A 59 10.061 -2.156 14.829 1.00 10.00 H new ATOM 0 HD1 TYR A 59 11.652 -2.727 12.851 1.00 10.00 H new ATOM 0 HD2 TYR A 59 8.274 -0.095 12.421 1.00 10.00 H new ATOM 0 HE1 TYR A 59 12.765 -1.604 10.928 1.00 10.00 H new ATOM 0 HE2 TYR A 59 9.381 1.029 10.517 1.00 10.00 H new ATOM 0 HH TYR A 59 11.705 1.493 9.804 1.00 10.00 H new ATOM 955 N LEU A 60 7.690 -4.941 15.529 1.00 10.00 N ATOM 956 CA LEU A 60 6.964 -5.508 16.666 1.00 10.00 C ATOM 957 C LEU A 60 7.735 -5.325 17.974 1.00 10.00 C ATOM 958 O LEU A 60 8.964 -5.262 17.983 1.00 10.00 O ATOM 959 CB LEU A 60 6.690 -7.002 16.413 1.00 10.00 C ATOM 960 CG LEU A 60 5.556 -7.232 15.400 1.00 10.00 C ATOM 961 CD1 LEU A 60 5.537 -8.689 14.940 1.00 10.00 C ATOM 962 CD2 LEU A 60 4.188 -6.908 16.008 1.00 10.00 C ATOM 0 H LEU A 60 8.259 -5.631 15.039 1.00 10.00 H new ATOM 0 HA LEU A 60 6.018 -4.975 16.765 1.00 10.00 H new ATOM 0 HB2 LEU A 60 7.600 -7.478 16.048 1.00 10.00 H new ATOM 0 HB3 LEU A 60 6.434 -7.485 17.356 1.00 10.00 H new ATOM 0 HG LEU A 60 5.744 -6.569 14.556 1.00 10.00 H new ATOM 0 HD11 LEU A 60 4.728 -8.834 14.224 1.00 10.00 H new ATOM 0 HD12 LEU A 60 6.488 -8.934 14.468 1.00 10.00 H new ATOM 0 HD13 LEU A 60 5.381 -9.340 15.800 1.00 10.00 H new ATOM 0 HD21 LEU A 60 3.409 -7.081 15.265 1.00 10.00 H new ATOM 0 HD22 LEU A 60 4.013 -7.548 16.873 1.00 10.00 H new ATOM 0 HD23 LEU A 60 4.166 -5.864 16.319 1.00 10.00 H new ATOM 974 N ASP A 61 6.991 -5.251 19.078 1.00 10.00 N ATOM 975 CA ASP A 61 7.568 -5.283 20.422 1.00 10.00 C ATOM 976 C ASP A 61 8.310 -6.605 20.696 1.00 10.00 C ATOM 977 O ASP A 61 7.883 -7.681 20.268 1.00 10.00 O ATOM 978 CB ASP A 61 6.467 -5.027 21.465 1.00 10.00 C ATOM 979 CG ASP A 61 7.027 -4.951 22.890 1.00 10.00 C ATOM 980 OD1 ASP A 61 8.182 -4.484 23.032 1.00 10.00 O ATOM 981 OD2 ASP A 61 6.312 -5.396 23.812 1.00 10.00 O ATOM 0 H ASP A 61 5.974 -5.167 19.066 1.00 10.00 H new ATOM 0 HA ASP A 61 8.312 -4.490 20.496 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.954 -4.095 21.228 1.00 10.00 H new ATOM 0 HB3 ASP A 61 5.724 -5.823 21.410 1.00 10.00 H new ATOM 986 N GLU A 62 9.380 -6.533 21.497 1.00 10.00 N ATOM 987 CA GLU A 62 10.250 -7.658 21.893 1.00 10.00 C ATOM 988 C GLU A 62 9.563 -8.664 22.848 1.00 10.00 C ATOM 989 O GLU A 62 10.218 -9.480 23.495 1.00 10.00 O ATOM 990 CB GLU A 62 11.564 -7.114 22.491 1.00 10.00 C ATOM 991 CG GLU A 62 12.373 -6.284 21.482 1.00 10.00 C ATOM 992 CD GLU A 62 13.766 -5.948 22.029 1.00 10.00 C ATOM 993 OE1 GLU A 62 13.885 -4.910 22.719 1.00 10.00 O ATOM 994 OE2 GLU A 62 14.700 -6.734 21.751 1.00 10.00 O ATOM 0 H GLU A 62 9.681 -5.649 21.908 1.00 10.00 H new ATOM 0 HA GLU A 62 10.472 -8.228 20.991 1.00 10.00 H new ATOM 0 HB2 GLU A 62 11.336 -6.499 23.362 1.00 10.00 H new ATOM 0 HB3 GLU A 62 12.172 -7.948 22.841 1.00 10.00 H new ATOM 0 HG2 GLU A 62 12.470 -6.837 20.548 1.00 10.00 H new ATOM 0 HG3 GLU A 62 11.838 -5.363 21.253 1.00 10.00 H new ATOM 1001 N LEU A 63 8.231 -8.604 22.920 1.00 10.00 N ATOM 1002 CA LEU A 63 7.341 -9.407 23.754 1.00 10.00 C ATOM 1003 C LEU A 63 6.162 -9.994 22.946 1.00 10.00 C ATOM 1004 O LEU A 63 5.287 -10.632 23.531 1.00 10.00 O ATOM 1005 CB LEU A 63 6.868 -8.529 24.930 1.00 10.00 C ATOM 1006 CG LEU A 63 7.099 -9.131 26.326 1.00 10.00 C ATOM 1007 CD1 LEU A 63 6.371 -10.460 26.546 1.00 10.00 C ATOM 1008 CD2 LEU A 63 8.586 -9.302 26.657 1.00 10.00 C ATOM 0 H LEU A 63 7.708 -7.939 22.350 1.00 10.00 H new ATOM 0 HA LEU A 63 7.879 -10.272 24.142 1.00 10.00 H new ATOM 0 HB2 LEU A 63 7.381 -7.569 24.876 1.00 10.00 H new ATOM 0 HB3 LEU A 63 5.803 -8.329 24.809 1.00 10.00 H new ATOM 0 HG LEU A 63 6.670 -8.398 27.009 1.00 10.00 H new ATOM 0 HD11 LEU A 63 6.579 -10.827 27.551 1.00 10.00 H new ATOM 0 HD12 LEU A 63 5.298 -10.311 26.429 1.00 10.00 H new ATOM 0 HD13 LEU A 63 6.718 -11.190 25.815 1.00 10.00 H new ATOM 0 HD21 LEU A 63 8.690 -9.731 27.654 1.00 10.00 H new ATOM 0 HD22 LEU A 63 9.047 -9.966 25.926 1.00 10.00 H new ATOM 0 HD23 LEU A 63 9.080 -8.331 26.627 1.00 10.00 H new ATOM 1020 N SER A 64 6.141 -9.801 21.618 1.00 10.00 N ATOM 1021 CA SER A 64 5.103 -10.318 20.713 1.00 10.00 C ATOM 1022 C SER A 64 5.628 -11.411 19.765 1.00 10.00 C ATOM 1023 O SER A 64 6.819 -11.720 19.746 1.00 10.00 O ATOM 1024 CB SER A 64 4.482 -9.164 19.921 1.00 10.00 C ATOM 1025 OG SER A 64 3.220 -9.573 19.433 1.00 10.00 O ATOM 0 H SER A 64 6.863 -9.268 21.132 1.00 10.00 H new ATOM 0 HA SER A 64 4.338 -10.789 21.331 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.374 -8.285 20.557 1.00 10.00 H new ATOM 0 HB3 SER A 64 5.133 -8.881 19.094 1.00 10.00 H new ATOM 0 HG SER A 64 2.587 -9.640 20.178 1.00 10.00 H new ATOM 1031 N ASP A 65 4.722 -12.016 18.988 1.00 10.00 N ATOM 1032 CA ASP A 65 4.962 -13.149 18.104 1.00 10.00 C ATOM 1033 C ASP A 65 3.848 -13.186 17.043 1.00 10.00 C ATOM 1034 O ASP A 65 2.668 -13.338 17.358 1.00 10.00 O ATOM 1035 CB ASP A 65 5.012 -14.454 18.922 1.00 10.00 C ATOM 1036 CG ASP A 65 5.434 -15.663 18.081 1.00 10.00 C ATOM 1037 OD1 ASP A 65 6.247 -15.460 17.152 1.00 10.00 O ATOM 1038 OD2 ASP A 65 4.962 -16.778 18.397 1.00 10.00 O ATOM 0 H ASP A 65 3.750 -11.707 18.962 1.00 10.00 H new ATOM 0 HA ASP A 65 5.923 -13.044 17.601 1.00 10.00 H new ATOM 0 HB2 ASP A 65 5.709 -14.332 19.751 1.00 10.00 H new ATOM 0 HB3 ASP A 65 4.030 -14.644 19.356 1.00 10.00 H new ATOM 1043 N ALA A 66 4.242 -12.997 15.787 1.00 10.00 N ATOM 1044 CA ALA A 66 3.385 -12.946 14.600 1.00 10.00 C ATOM 1045 C ALA A 66 3.898 -13.852 13.453 1.00 10.00 C ATOM 1046 O ALA A 66 4.879 -14.576 13.612 1.00 10.00 O ATOM 1047 CB ALA A 66 3.268 -11.475 14.180 1.00 10.00 C ATOM 0 H ALA A 66 5.226 -12.867 15.554 1.00 10.00 H new ATOM 0 HA ALA A 66 2.399 -13.344 14.839 1.00 10.00 H new ATOM 0 HB1 ALA A 66 2.635 -11.398 13.296 1.00 10.00 H new ATOM 0 HB2 ALA A 66 2.827 -10.898 14.993 1.00 10.00 H new ATOM 0 HB3 ALA A 66 4.259 -11.082 13.952 1.00 10.00 H new ATOM 1053 N ASP A 67 3.270 -13.797 12.268 1.00 10.00 N ATOM 1054 CA ASP A 67 3.535 -14.772 11.201 1.00 10.00 C ATOM 1055 C ASP A 67 4.758 -14.342 10.355 1.00 10.00 C ATOM 1056 O ASP A 67 4.901 -13.152 10.050 1.00 10.00 O ATOM 1057 CB ASP A 67 2.327 -14.900 10.244 1.00 10.00 C ATOM 1058 CG ASP A 67 0.975 -15.181 10.908 1.00 10.00 C ATOM 1059 OD1 ASP A 67 0.941 -16.019 11.832 1.00 10.00 O ATOM 1060 OD2 ASP A 67 -0.021 -14.565 10.452 1.00 10.00 O ATOM 0 H ASP A 67 2.577 -13.089 12.026 1.00 10.00 H new ATOM 0 HA ASP A 67 3.726 -15.727 11.690 1.00 10.00 H new ATOM 0 HB2 ASP A 67 2.243 -13.977 9.670 1.00 10.00 H new ATOM 0 HB3 ASP A 67 2.534 -15.700 9.533 1.00 10.00 H new ATOM 1065 N PRO A 68 5.615 -15.288 9.901 1.00 10.00 N ATOM 1066 CA PRO A 68 6.852 -15.030 9.142 1.00 10.00 C ATOM 1067 C PRO A 68 6.611 -14.603 7.673 1.00 10.00 C ATOM 1068 O PRO A 68 7.288 -15.049 6.750 1.00 10.00 O ATOM 1069 CB PRO A 68 7.677 -16.317 9.291 1.00 10.00 C ATOM 1070 CG PRO A 68 6.605 -17.399 9.368 1.00 10.00 C ATOM 1071 CD PRO A 68 5.507 -16.716 10.181 1.00 10.00 C ATOM 0 HA PRO A 68 7.388 -14.167 9.536 1.00 10.00 H new ATOM 0 HB2 PRO A 68 8.345 -16.469 8.443 1.00 10.00 H new ATOM 0 HB3 PRO A 68 8.298 -16.298 10.187 1.00 10.00 H new ATOM 0 HG2 PRO A 68 6.254 -17.694 8.379 1.00 10.00 H new ATOM 0 HG3 PRO A 68 6.972 -18.301 9.858 1.00 10.00 H new ATOM 0 HD2 PRO A 68 4.524 -17.094 9.900 1.00 10.00 H new ATOM 0 HD3 PRO A 68 5.632 -16.914 11.246 1.00 10.00 H new ATOM 1079 N GLY A 69 5.618 -13.735 7.476 1.00 10.00 N ATOM 1080 CA GLY A 69 5.222 -13.100 6.217 1.00 10.00 C ATOM 1081 C GLY A 69 3.992 -12.181 6.354 1.00 10.00 C ATOM 1082 O GLY A 69 3.311 -11.910 5.365 1.00 10.00 O ATOM 0 H GLY A 69 5.025 -13.435 8.250 1.00 10.00 H new ATOM 0 HA2 GLY A 69 6.060 -12.518 5.833 1.00 10.00 H new ATOM 0 HA3 GLY A 69 5.007 -13.874 5.480 1.00 10.00 H new ATOM 1086 N ILE A 70 3.657 -11.738 7.578 1.00 10.00 N ATOM 1087 CA ILE A 70 2.387 -11.066 7.886 1.00 10.00 C ATOM 1088 C ILE A 70 2.206 -9.705 7.195 1.00 10.00 C ATOM 1089 O ILE A 70 1.079 -9.307 6.902 1.00 10.00 O ATOM 1090 CB ILE A 70 2.235 -10.980 9.425 1.00 10.00 C ATOM 1091 CG1 ILE A 70 0.757 -11.059 9.826 1.00 10.00 C ATOM 1092 CG2 ILE A 70 2.914 -9.751 10.051 1.00 10.00 C ATOM 1093 CD1 ILE A 70 0.569 -11.422 11.302 1.00 10.00 C ATOM 0 H ILE A 70 4.268 -11.838 8.388 1.00 10.00 H new ATOM 0 HA ILE A 70 1.580 -11.668 7.470 1.00 10.00 H new ATOM 0 HB ILE A 70 2.763 -11.843 9.830 1.00 10.00 H new ATOM 0 HG12 ILE A 70 0.278 -10.100 9.627 1.00 10.00 H new ATOM 0 HG13 ILE A 70 0.255 -11.801 9.206 1.00 10.00 H new ATOM 0 HG21 ILE A 70 2.763 -9.762 11.130 1.00 10.00 H new ATOM 0 HG22 ILE A 70 3.982 -9.775 9.834 1.00 10.00 H new ATOM 0 HG23 ILE A 70 2.479 -8.843 9.633 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -0.495 -11.465 11.533 1.00 10.00 H new ATOM 0 HD12 ILE A 70 1.022 -12.394 11.498 1.00 10.00 H new ATOM 0 HD13 ILE A 70 1.046 -10.666 11.926 1.00 10.00 H new ATOM 1105 N VAL A 71 3.313 -9.000 6.933 1.00 10.00 N ATOM 1106 CA VAL A 71 3.337 -7.736 6.192 1.00 10.00 C ATOM 1107 C VAL A 71 3.418 -7.955 4.685 1.00 10.00 C ATOM 1108 O VAL A 71 2.788 -7.209 3.945 1.00 10.00 O ATOM 1109 CB VAL A 71 4.441 -6.804 6.720 1.00 10.00 C ATOM 1110 CG1 VAL A 71 5.842 -7.434 6.749 1.00 10.00 C ATOM 1111 CG2 VAL A 71 4.512 -5.482 5.948 1.00 10.00 C ATOM 0 H VAL A 71 4.239 -9.301 7.238 1.00 10.00 H new ATOM 0 HA VAL A 71 2.387 -7.232 6.367 1.00 10.00 H new ATOM 0 HB VAL A 71 4.142 -6.613 7.751 1.00 10.00 H new ATOM 0 HG11 VAL A 71 6.559 -6.709 7.134 1.00 10.00 H new ATOM 0 HG12 VAL A 71 5.832 -8.313 7.394 1.00 10.00 H new ATOM 0 HG13 VAL A 71 6.130 -7.728 5.740 1.00 10.00 H new ATOM 0 HG21 VAL A 71 5.307 -4.862 6.361 1.00 10.00 H new ATOM 0 HG22 VAL A 71 4.719 -5.685 4.897 1.00 10.00 H new ATOM 0 HG23 VAL A 71 3.560 -4.958 6.036 1.00 10.00 H new ATOM 1121 N ASP A 72 4.100 -8.999 4.213 1.00 10.00 N ATOM 1122 CA ASP A 72 4.167 -9.380 2.801 1.00 10.00 C ATOM 1123 C ASP A 72 2.760 -9.584 2.216 1.00 10.00 C ATOM 1124 O ASP A 72 2.467 -9.092 1.124 1.00 10.00 O ATOM 1125 CB ASP A 72 5.023 -10.651 2.659 1.00 10.00 C ATOM 1126 CG ASP A 72 6.366 -10.552 3.396 1.00 10.00 C ATOM 1127 OD1 ASP A 72 6.330 -10.470 4.649 1.00 10.00 O ATOM 1128 OD2 ASP A 72 7.405 -10.554 2.701 1.00 10.00 O ATOM 0 H ASP A 72 4.636 -9.620 4.819 1.00 10.00 H new ATOM 0 HA ASP A 72 4.634 -8.575 2.234 1.00 10.00 H new ATOM 0 HB2 ASP A 72 4.465 -11.504 3.045 1.00 10.00 H new ATOM 0 HB3 ASP A 72 5.208 -10.842 1.602 1.00 10.00 H new ATOM 1133 N GLU A 73 1.859 -10.207 2.991 1.00 10.00 N ATOM 1134 CA GLU A 73 0.436 -10.295 2.647 1.00 10.00 C ATOM 1135 C GLU A 73 -0.258 -8.922 2.607 1.00 10.00 C ATOM 1136 O GLU A 73 -1.132 -8.725 1.763 1.00 10.00 O ATOM 1137 CB GLU A 73 -0.313 -11.211 3.628 1.00 10.00 C ATOM 1138 CG GLU A 73 0.139 -12.677 3.587 1.00 10.00 C ATOM 1139 CD GLU A 73 -0.817 -13.559 4.401 1.00 10.00 C ATOM 1140 OE1 GLU A 73 -0.906 -13.352 5.636 1.00 10.00 O ATOM 1141 OE2 GLU A 73 -1.500 -14.408 3.793 1.00 10.00 O ATOM 0 H GLU A 73 2.098 -10.662 3.872 1.00 10.00 H new ATOM 0 HA GLU A 73 0.398 -10.717 1.643 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -0.178 -10.829 4.640 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -1.380 -11.165 3.409 1.00 10.00 H new ATOM 0 HG2 GLU A 73 0.173 -13.024 2.554 1.00 10.00 H new ATOM 0 HG3 GLU A 73 1.150 -12.763 3.985 1.00 10.00 H new ATOM 1148 N ALA A 74 0.133 -7.952 3.451 1.00 10.00 N ATOM 1149 CA ALA A 74 -0.384 -6.584 3.359 1.00 10.00 C ATOM 1150 C ALA A 74 0.064 -5.903 2.058 1.00 10.00 C ATOM 1151 O ALA A 74 -0.737 -5.231 1.405 1.00 10.00 O ATOM 1152 CB ALA A 74 0.076 -5.759 4.570 1.00 10.00 C ATOM 0 H ALA A 74 0.806 -8.094 4.204 1.00 10.00 H new ATOM 0 HA ALA A 74 -1.473 -6.638 3.355 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.315 -4.745 4.489 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -0.295 -6.219 5.486 1.00 10.00 H new ATOM 0 HB3 ALA A 74 1.165 -5.727 4.596 1.00 10.00 H new ATOM 1158 N VAL A 75 1.332 -6.091 1.663 1.00 10.00 N ATOM 1159 CA VAL A 75 1.863 -5.520 0.418 1.00 10.00 C ATOM 1160 C VAL A 75 1.202 -6.169 -0.806 1.00 10.00 C ATOM 1161 O VAL A 75 0.740 -5.457 -1.692 1.00 10.00 O ATOM 1162 CB VAL A 75 3.402 -5.604 0.325 1.00 10.00 C ATOM 1163 CG1 VAL A 75 3.892 -4.549 -0.667 1.00 10.00 C ATOM 1164 CG2 VAL A 75 4.121 -5.299 1.648 1.00 10.00 C ATOM 0 H VAL A 75 2.012 -6.638 2.192 1.00 10.00 H new ATOM 0 HA VAL A 75 1.612 -4.459 0.430 1.00 10.00 H new ATOM 0 HB VAL A 75 3.628 -6.628 0.029 1.00 10.00 H new ATOM 0 HG11 VAL A 75 4.978 -4.597 -0.742 1.00 10.00 H new ATOM 0 HG12 VAL A 75 3.452 -4.738 -1.646 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.596 -3.559 -0.321 1.00 10.00 H new ATOM 0 HG21 VAL A 75 5.198 -5.378 1.503 1.00 10.00 H new ATOM 0 HG22 VAL A 75 3.872 -4.289 1.973 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.804 -6.013 2.408 1.00 10.00 H new ATOM 1174 N ASP A 76 1.062 -7.500 -0.829 1.00 10.00 N ATOM 1175 CA ASP A 76 0.309 -8.241 -1.850 1.00 10.00 C ATOM 1176 C ASP A 76 -1.164 -7.794 -1.910 1.00 10.00 C ATOM 1177 O ASP A 76 -1.696 -7.546 -2.994 1.00 10.00 O ATOM 1178 CB ASP A 76 0.448 -9.745 -1.550 1.00 10.00 C ATOM 1179 CG ASP A 76 -0.106 -10.660 -2.647 1.00 10.00 C ATOM 1180 OD1 ASP A 76 -0.346 -10.196 -3.782 1.00 10.00 O ATOM 1181 OD2 ASP A 76 -0.320 -11.861 -2.378 1.00 10.00 O ATOM 0 H ASP A 76 1.478 -8.106 -0.122 1.00 10.00 H new ATOM 0 HA ASP A 76 0.719 -8.030 -2.838 1.00 10.00 H new ATOM 0 HB2 ASP A 76 1.502 -9.977 -1.397 1.00 10.00 H new ATOM 0 HB3 ASP A 76 -0.066 -9.966 -0.615 1.00 10.00 H new ATOM 1186 N ALA A 77 -1.805 -7.560 -0.759 1.00 10.00 N ATOM 1187 CA ALA A 77 -3.152 -6.991 -0.723 1.00 10.00 C ATOM 1188 C ALA A 77 -3.191 -5.575 -1.322 1.00 10.00 C ATOM 1189 O ALA A 77 -4.112 -5.273 -2.084 1.00 10.00 O ATOM 1190 CB ALA A 77 -3.683 -7.014 0.715 1.00 10.00 C ATOM 0 H ALA A 77 -1.409 -7.757 0.160 1.00 10.00 H new ATOM 0 HA ALA A 77 -3.804 -7.604 -1.345 1.00 10.00 H new ATOM 0 HB1 ALA A 77 -4.687 -6.590 0.739 1.00 10.00 H new ATOM 0 HB2 ALA A 77 -3.715 -8.042 1.075 1.00 10.00 H new ATOM 0 HB3 ALA A 77 -3.025 -6.426 1.355 1.00 10.00 H new ATOM 1196 N ALA A 78 -2.186 -4.728 -1.057 1.00 10.00 N ATOM 1197 CA ALA A 78 -2.055 -3.426 -1.712 1.00 10.00 C ATOM 1198 C ALA A 78 -1.851 -3.559 -3.230 1.00 10.00 C ATOM 1199 O ALA A 78 -2.535 -2.871 -3.988 1.00 10.00 O ATOM 1200 CB ALA A 78 -0.935 -2.618 -1.037 1.00 10.00 C ATOM 0 H ALA A 78 -1.446 -4.928 -0.385 1.00 10.00 H new ATOM 0 HA ALA A 78 -2.990 -2.880 -1.590 1.00 10.00 H new ATOM 0 HB1 ALA A 78 -0.840 -1.649 -1.527 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -1.176 -2.470 0.016 1.00 10.00 H new ATOM 0 HB3 ALA A 78 0.006 -3.161 -1.121 1.00 10.00 H new ATOM 1206 N TYR A 79 -0.985 -4.474 -3.687 1.00 10.00 N ATOM 1207 CA TYR A 79 -0.760 -4.699 -5.117 1.00 10.00 C ATOM 1208 C TYR A 79 -2.018 -5.206 -5.839 1.00 10.00 C ATOM 1209 O TYR A 79 -2.373 -4.668 -6.889 1.00 10.00 O ATOM 1210 CB TYR A 79 0.367 -5.727 -5.312 1.00 10.00 C ATOM 1211 CG TYR A 79 1.781 -5.236 -5.051 1.00 10.00 C ATOM 1212 CD1 TYR A 79 2.315 -4.217 -5.867 1.00 10.00 C ATOM 1213 CD2 TYR A 79 2.592 -5.854 -4.075 1.00 10.00 C ATOM 1214 CE1 TYR A 79 3.654 -3.810 -5.720 1.00 10.00 C ATOM 1215 CE2 TYR A 79 3.942 -5.470 -3.948 1.00 10.00 C ATOM 1216 CZ TYR A 79 4.473 -4.447 -4.763 1.00 10.00 C ATOM 1217 OH TYR A 79 5.776 -4.082 -4.627 1.00 10.00 O ATOM 0 H TYR A 79 -0.426 -5.073 -3.080 1.00 10.00 H new ATOM 0 HA TYR A 79 -0.487 -3.736 -5.549 1.00 10.00 H new ATOM 0 HB2 TYR A 79 0.173 -6.575 -4.656 1.00 10.00 H new ATOM 0 HB3 TYR A 79 0.318 -6.098 -6.336 1.00 10.00 H new ATOM 0 HD1 TYR A 79 1.691 -3.745 -6.611 1.00 10.00 H new ATOM 0 HD2 TYR A 79 2.181 -6.616 -3.430 1.00 10.00 H new ATOM 0 HE1 TYR A 79 4.052 -3.016 -6.335 1.00 10.00 H new ATOM 0 HE2 TYR A 79 4.574 -5.961 -3.223 1.00 10.00 H new ATOM 0 HH TYR A 79 6.195 -4.620 -3.923 1.00 10.00 H new ATOM 1227 N ARG A 80 -2.753 -6.160 -5.248 1.00 10.00 N ATOM 1228 CA ARG A 80 -4.001 -6.676 -5.833 1.00 10.00 C ATOM 1229 C ARG A 80 -5.143 -5.664 -5.739 1.00 10.00 C ATOM 1230 O ARG A 80 -5.931 -5.549 -6.677 1.00 10.00 O ATOM 1231 CB ARG A 80 -4.382 -8.023 -5.205 1.00 10.00 C ATOM 1232 CG ARG A 80 -3.337 -9.104 -5.525 1.00 10.00 C ATOM 1233 CD ARG A 80 -3.776 -10.464 -4.977 1.00 10.00 C ATOM 1234 NE ARG A 80 -2.614 -11.330 -4.720 1.00 10.00 N ATOM 1235 CZ ARG A 80 -2.508 -12.641 -4.857 1.00 10.00 C ATOM 1236 NH1 ARG A 80 -3.390 -13.351 -5.525 1.00 10.00 N ATOM 1237 NH2 ARG A 80 -1.502 -13.265 -4.301 1.00 10.00 N ATOM 0 H ARG A 80 -2.503 -6.593 -4.359 1.00 10.00 H new ATOM 0 HA ARG A 80 -3.821 -6.841 -6.895 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -4.473 -7.910 -4.125 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -5.358 -8.336 -5.576 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -3.195 -9.170 -6.604 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -2.376 -8.826 -5.093 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -4.340 -10.323 -4.055 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -4.444 -10.948 -5.689 1.00 10.00 H new ATOM 0 HE ARG A 80 -1.775 -10.853 -4.391 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -4.191 -12.892 -5.960 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -3.274 -14.361 -5.609 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -0.808 -12.741 -3.768 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -1.411 -14.276 -4.401 1.00 10.00 H new ATOM 1251 N SER A 81 -5.211 -4.881 -4.655 1.00 10.00 N ATOM 1252 CA SER A 81 -6.172 -3.782 -4.565 1.00 10.00 C ATOM 1253 C SER A 81 -5.860 -2.642 -5.537 1.00 10.00 C ATOM 1254 O SER A 81 -6.787 -1.917 -5.892 1.00 10.00 O ATOM 1255 CB SER A 81 -6.277 -3.221 -3.150 1.00 10.00 C ATOM 1256 OG SER A 81 -7.376 -2.332 -3.131 1.00 10.00 O ATOM 0 H SER A 81 -4.615 -4.989 -3.834 1.00 10.00 H new ATOM 0 HA SER A 81 -7.131 -4.219 -4.844 1.00 10.00 H new ATOM 0 HB2 SER A 81 -6.420 -4.025 -2.428 1.00 10.00 H new ATOM 0 HB3 SER A 81 -5.359 -2.703 -2.873 1.00 10.00 H new ATOM 0 HG SER A 81 -7.065 -1.432 -2.897 1.00 10.00 H new ATOM 1262 N LEU A 82 -4.604 -2.463 -5.964 1.00 10.00 N ATOM 1263 CA LEU A 82 -4.270 -1.540 -7.048 1.00 10.00 C ATOM 1264 C LEU A 82 -4.639 -2.124 -8.414 1.00 10.00 C ATOM 1265 O LEU A 82 -5.193 -1.419 -9.254 1.00 10.00 O ATOM 1266 CB LEU A 82 -2.775 -1.204 -7.004 1.00 10.00 C ATOM 1267 CG LEU A 82 -2.406 0.036 -7.839 1.00 10.00 C ATOM 1268 CD1 LEU A 82 -3.094 1.325 -7.366 1.00 10.00 C ATOM 1269 CD2 LEU A 82 -0.897 0.247 -7.758 1.00 10.00 C ATOM 0 H LEU A 82 -3.799 -2.951 -5.570 1.00 10.00 H new ATOM 0 HA LEU A 82 -4.851 -0.629 -6.907 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -2.477 -1.038 -5.969 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -2.206 -2.060 -7.366 1.00 10.00 H new ATOM 0 HG LEU A 82 -2.745 -0.158 -8.856 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -2.786 2.156 -8.001 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -4.176 1.203 -7.426 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -2.809 1.532 -6.334 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -0.620 1.123 -8.345 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -0.606 0.400 -6.719 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -0.385 -0.631 -8.152 1.00 10.00 H new ATOM 1281 N GLU A 83 -4.394 -3.423 -8.612 1.00 10.00 N ATOM 1282 CA GLU A 83 -4.761 -4.133 -9.837 1.00 10.00 C ATOM 1283 C GLU A 83 -6.276 -4.056 -10.090 1.00 10.00 C ATOM 1284 O GLU A 83 -6.680 -3.847 -11.232 1.00 10.00 O ATOM 1285 CB GLU A 83 -4.251 -5.579 -9.723 1.00 10.00 C ATOM 1286 CG GLU A 83 -4.412 -6.405 -11.003 1.00 10.00 C ATOM 1287 CD GLU A 83 -3.729 -7.771 -10.850 1.00 10.00 C ATOM 1288 OE1 GLU A 83 -4.152 -8.533 -9.950 1.00 10.00 O ATOM 1289 OE2 GLU A 83 -2.781 -8.032 -11.624 1.00 10.00 O ATOM 0 H GLU A 83 -3.932 -4.014 -7.921 1.00 10.00 H new ATOM 0 HA GLU A 83 -4.294 -3.664 -10.703 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -3.197 -5.560 -9.447 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -4.784 -6.077 -8.913 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -5.471 -6.544 -11.223 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -3.979 -5.868 -11.847 1.00 10.00 H new ATOM 1296 N SER A 84 -7.108 -4.108 -9.037 1.00 10.00 N ATOM 1297 CA SER A 84 -8.545 -3.828 -9.144 1.00 10.00 C ATOM 1298 C SER A 84 -8.898 -2.329 -9.183 1.00 10.00 C ATOM 1299 O SER A 84 -9.803 -1.958 -9.924 1.00 10.00 O ATOM 1300 CB SER A 84 -9.309 -4.538 -8.024 1.00 10.00 C ATOM 1301 OG SER A 84 -8.951 -4.034 -6.754 1.00 10.00 O ATOM 0 H SER A 84 -6.803 -4.344 -8.093 1.00 10.00 H new ATOM 0 HA SER A 84 -8.856 -4.223 -10.111 1.00 10.00 H new ATOM 0 HB2 SER A 84 -10.381 -4.413 -8.177 1.00 10.00 H new ATOM 0 HB3 SER A 84 -9.104 -5.608 -8.063 1.00 10.00 H new ATOM 0 HG SER A 84 -8.196 -3.417 -6.848 1.00 10.00 H new ATOM 1307 N PHE A 85 -8.192 -1.437 -8.468 1.00 10.00 N ATOM 1308 CA PHE A 85 -8.412 0.021 -8.564 1.00 10.00 C ATOM 1309 C PHE A 85 -8.205 0.549 -9.995 1.00 10.00 C ATOM 1310 O PHE A 85 -8.927 1.445 -10.433 1.00 10.00 O ATOM 1311 CB PHE A 85 -7.489 0.741 -7.566 1.00 10.00 C ATOM 1312 CG PHE A 85 -7.626 2.252 -7.467 1.00 10.00 C ATOM 1313 CD1 PHE A 85 -7.048 3.085 -8.445 1.00 10.00 C ATOM 1314 CD2 PHE A 85 -8.266 2.834 -6.355 1.00 10.00 C ATOM 1315 CE1 PHE A 85 -7.118 4.483 -8.323 1.00 10.00 C ATOM 1316 CE2 PHE A 85 -8.333 4.235 -6.230 1.00 10.00 C ATOM 1317 CZ PHE A 85 -7.759 5.061 -7.213 1.00 10.00 C ATOM 0 H PHE A 85 -7.458 -1.701 -7.811 1.00 10.00 H new ATOM 0 HA PHE A 85 -9.452 0.228 -8.310 1.00 10.00 H new ATOM 0 HB2 PHE A 85 -7.665 0.319 -6.576 1.00 10.00 H new ATOM 0 HB3 PHE A 85 -6.457 0.511 -7.832 1.00 10.00 H new ATOM 0 HD1 PHE A 85 -6.547 2.646 -9.295 1.00 10.00 H new ATOM 0 HD2 PHE A 85 -8.706 2.204 -5.596 1.00 10.00 H new ATOM 0 HE1 PHE A 85 -6.679 5.114 -9.082 1.00 10.00 H new ATOM 0 HE2 PHE A 85 -8.827 4.676 -5.377 1.00 10.00 H new ATOM 0 HZ PHE A 85 -7.810 6.135 -7.116 1.00 10.00 H new ATOM 1327 N LEU A 86 -7.270 -0.043 -10.751 1.00 10.00 N ATOM 1328 CA LEU A 86 -7.013 0.238 -12.166 1.00 10.00 C ATOM 1329 C LEU A 86 -8.172 -0.177 -13.113 1.00 10.00 C ATOM 1330 O LEU A 86 -8.021 -0.076 -14.331 1.00 10.00 O ATOM 1331 CB LEU A 86 -5.643 -0.361 -12.554 1.00 10.00 C ATOM 1332 CG LEU A 86 -4.358 0.317 -11.984 1.00 10.00 C ATOM 1333 CD1 LEU A 86 -3.557 1.006 -13.096 1.00 10.00 C ATOM 1334 CD2 LEU A 86 -4.517 1.372 -10.875 1.00 10.00 C ATOM 0 H LEU A 86 -6.648 -0.759 -10.376 1.00 10.00 H new ATOM 0 HA LEU A 86 -6.969 1.319 -12.300 1.00 10.00 H new ATOM 0 HB2 LEU A 86 -5.635 -1.406 -12.243 1.00 10.00 H new ATOM 0 HB3 LEU A 86 -5.571 -0.352 -13.642 1.00 10.00 H new ATOM 0 HG LEU A 86 -3.862 -0.542 -11.531 1.00 10.00 H new ATOM 0 HD11 LEU A 86 -2.667 1.470 -12.670 1.00 10.00 H new ATOM 0 HD12 LEU A 86 -3.260 0.268 -13.841 1.00 10.00 H new ATOM 0 HD13 LEU A 86 -4.174 1.771 -13.568 1.00 10.00 H new ATOM 0 HD21 LEU A 86 -3.535 1.748 -10.587 1.00 10.00 H new ATOM 0 HD22 LEU A 86 -5.128 2.197 -11.242 1.00 10.00 H new ATOM 0 HD23 LEU A 86 -5.001 0.920 -10.009 1.00 10.00 H new