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 16 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 20 ASN : amide:sc= 1.24 K(o=1.2,f=-0.028) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.4 USER MOD Single : A 15 SER OG : rot 86:sc= 1.2 USER MOD Single : A 19 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.03) USER MOD Single : A 21 THR OG1 : rot 59:sc= 1.2 USER MOD Single : A 23 SER OG : rot 104:sc= 1.26 USER MOD Single : A 28 LYS NZ :NH3+ -144:sc= 2.15 (180deg=-0.239) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 26:sc= 1.3 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -163:sc= 1.23 (180deg=1.1) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -5:sc= 1.02 USER MOD Single : A 64 SER OG : rot -163:sc= 0.911 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 60:sc= 1.12 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 94 N LEU A 6 -2.809 12.651 -14.168 1.00 10.00 N ATOM 95 CA LEU A 6 -2.030 11.971 -13.133 1.00 10.00 C ATOM 96 C LEU A 6 -0.802 12.809 -12.756 1.00 10.00 C ATOM 97 O LEU A 6 0.152 12.901 -13.526 1.00 10.00 O ATOM 98 CB LEU A 6 -1.645 10.555 -13.599 1.00 10.00 C ATOM 99 CG LEU A 6 -2.827 9.580 -13.787 1.00 10.00 C ATOM 100 CD1 LEU A 6 -2.291 8.192 -14.150 1.00 10.00 C ATOM 101 CD2 LEU A 6 -3.709 9.440 -12.539 1.00 10.00 C ATOM 0 HA LEU A 6 -2.639 11.864 -12.235 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -1.107 10.635 -14.544 1.00 10.00 H new ATOM 0 HB3 LEU A 6 -0.954 10.127 -12.873 1.00 10.00 H new ATOM 0 HG LEU A 6 -3.444 9.997 -14.583 1.00 10.00 H new ATOM 0 HD11 LEU A 6 -3.125 7.503 -14.283 1.00 10.00 H new ATOM 0 HD12 LEU A 6 -1.720 8.253 -15.076 1.00 10.00 H new ATOM 0 HD13 LEU A 6 -1.646 7.830 -13.349 1.00 10.00 H new ATOM 0 HD21 LEU A 6 -4.519 8.740 -12.743 1.00 10.00 H new ATOM 0 HD22 LEU A 6 -3.108 9.068 -11.709 1.00 10.00 H new ATOM 0 HD23 LEU A 6 -4.127 10.412 -12.278 1.00 10.00 H new ATOM 113 N THR A 7 -0.836 13.440 -11.576 1.00 10.00 N ATOM 114 CA THR A 7 0.243 14.300 -11.080 1.00 10.00 C ATOM 115 C THR A 7 0.323 14.245 -9.548 1.00 10.00 C ATOM 116 O THR A 7 -0.298 13.379 -8.930 1.00 10.00 O ATOM 117 CB THR A 7 0.056 15.726 -11.636 1.00 10.00 C ATOM 118 OG1 THR A 7 1.208 16.505 -11.409 1.00 10.00 O ATOM 119 CG2 THR A 7 -1.146 16.478 -11.061 1.00 10.00 C ATOM 0 H THR A 7 -1.623 13.366 -10.932 1.00 10.00 H new ATOM 0 HA THR A 7 1.207 13.938 -11.438 1.00 10.00 H new ATOM 0 HB THR A 7 -0.126 15.584 -12.701 1.00 10.00 H new ATOM 0 HG1 THR A 7 1.070 17.405 -11.770 1.00 10.00 H new ATOM 0 HG21 THR A 7 -1.201 17.471 -11.507 1.00 10.00 H new ATOM 0 HG22 THR A 7 -2.060 15.928 -11.285 1.00 10.00 H new ATOM 0 HG23 THR A 7 -1.034 16.571 -9.981 1.00 10.00 H new ATOM 127 N GLU A 8 1.075 15.175 -8.950 1.00 10.00 N ATOM 128 CA GLU A 8 1.421 15.369 -7.529 1.00 10.00 C ATOM 129 C GLU A 8 0.224 15.572 -6.564 1.00 10.00 C ATOM 130 O GLU A 8 0.373 16.147 -5.488 1.00 10.00 O ATOM 131 CB GLU A 8 2.405 16.557 -7.442 1.00 10.00 C ATOM 132 CG GLU A 8 3.696 16.348 -8.250 1.00 10.00 C ATOM 133 CD GLU A 8 4.568 17.607 -8.222 1.00 10.00 C ATOM 134 OE1 GLU A 8 4.358 18.466 -9.108 1.00 10.00 O ATOM 135 OE2 GLU A 8 5.429 17.697 -7.319 1.00 10.00 O ATOM 0 H GLU A 8 1.512 15.902 -9.517 1.00 10.00 H new ATOM 0 HA GLU A 8 1.869 14.437 -7.184 1.00 10.00 H new ATOM 0 HB2 GLU A 8 1.906 17.458 -7.798 1.00 10.00 H new ATOM 0 HB3 GLU A 8 2.664 16.728 -6.397 1.00 10.00 H new ATOM 0 HG2 GLU A 8 4.253 15.505 -7.841 1.00 10.00 H new ATOM 0 HG3 GLU A 8 3.448 16.096 -9.281 1.00 10.00 H new ATOM 142 N GLY A 9 -0.965 15.097 -6.939 1.00 10.00 N ATOM 143 CA GLY A 9 -2.160 15.028 -6.100 1.00 10.00 C ATOM 144 C GLY A 9 -2.953 13.753 -6.375 1.00 10.00 C ATOM 145 O GLY A 9 -3.270 12.998 -5.466 1.00 10.00 O ATOM 0 H GLY A 9 -1.127 14.734 -7.878 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -1.872 15.061 -5.049 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -2.789 15.898 -6.286 1.00 10.00 H new ATOM 149 N ASP A 10 -3.211 13.463 -7.648 1.00 10.00 N ATOM 150 CA ASP A 10 -3.937 12.284 -8.118 1.00 10.00 C ATOM 151 C ASP A 10 -3.119 10.995 -7.894 1.00 10.00 C ATOM 152 O ASP A 10 -3.648 9.991 -7.417 1.00 10.00 O ATOM 153 CB ASP A 10 -4.277 12.488 -9.612 1.00 10.00 C ATOM 154 CG ASP A 10 -4.715 13.925 -9.951 1.00 10.00 C ATOM 155 OD1 ASP A 10 -3.842 14.825 -9.846 1.00 10.00 O ATOM 156 OD2 ASP A 10 -5.896 14.153 -10.294 1.00 10.00 O ATOM 0 H ASP A 10 -2.908 14.067 -8.412 1.00 10.00 H new ATOM 0 HA ASP A 10 -4.858 12.166 -7.547 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -3.405 12.231 -10.213 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -5.073 11.798 -9.893 1.00 10.00 H new ATOM 161 N LEU A 11 -1.808 11.037 -8.180 1.00 10.00 N ATOM 162 CA LEU A 11 -0.857 9.975 -7.834 1.00 10.00 C ATOM 163 C LEU A 11 -0.606 9.892 -6.317 1.00 10.00 C ATOM 164 O LEU A 11 -0.357 8.804 -5.789 1.00 10.00 O ATOM 165 CB LEU A 11 0.458 10.179 -8.610 1.00 10.00 C ATOM 166 CG LEU A 11 0.349 10.026 -10.142 1.00 10.00 C ATOM 167 CD1 LEU A 11 1.694 10.341 -10.804 1.00 10.00 C ATOM 168 CD2 LEU A 11 -0.053 8.605 -10.564 1.00 10.00 C ATOM 0 H LEU A 11 -1.375 11.823 -8.665 1.00 10.00 H new ATOM 0 HA LEU A 11 -1.295 9.021 -8.126 1.00 10.00 H new ATOM 0 HB2 LEU A 11 0.842 11.175 -8.387 1.00 10.00 H new ATOM 0 HB3 LEU A 11 1.193 9.464 -8.241 1.00 10.00 H new ATOM 0 HG LEU A 11 -0.424 10.724 -10.463 1.00 10.00 H new ATOM 0 HD11 LEU A 11 1.603 10.229 -11.884 1.00 10.00 H new ATOM 0 HD12 LEU A 11 1.985 11.365 -10.568 1.00 10.00 H new ATOM 0 HD13 LEU A 11 2.453 9.653 -10.431 1.00 10.00 H new ATOM 0 HD21 LEU A 11 -0.115 8.552 -11.651 1.00 10.00 H new ATOM 0 HD22 LEU A 11 0.694 7.895 -10.208 1.00 10.00 H new ATOM 0 HD23 LEU A 11 -1.023 8.358 -10.133 1.00 10.00 H new ATOM 180 N ASP A 12 -0.666 11.028 -5.610 1.00 10.00 N ATOM 181 CA ASP A 12 -0.572 11.064 -4.148 1.00 10.00 C ATOM 182 C ASP A 12 -1.799 10.417 -3.485 1.00 10.00 C ATOM 183 O ASP A 12 -1.635 9.619 -2.571 1.00 10.00 O ATOM 184 CB ASP A 12 -0.358 12.505 -3.664 1.00 10.00 C ATOM 185 CG ASP A 12 -0.009 12.543 -2.174 1.00 10.00 C ATOM 186 OD1 ASP A 12 1.031 11.945 -1.821 1.00 10.00 O ATOM 187 OD2 ASP A 12 -0.782 13.167 -1.414 1.00 10.00 O ATOM 0 H ASP A 12 -0.781 11.947 -6.037 1.00 10.00 H new ATOM 0 HA ASP A 12 0.293 10.473 -3.847 1.00 10.00 H new ATOM 0 HB2 ASP A 12 0.443 12.970 -4.240 1.00 10.00 H new ATOM 0 HB3 ASP A 12 -1.260 13.089 -3.844 1.00 10.00 H new ATOM 192 N GLU A 13 -3.017 10.651 -3.990 1.00 10.00 N ATOM 193 CA GLU A 13 -4.232 9.958 -3.538 1.00 10.00 C ATOM 194 C GLU A 13 -4.167 8.443 -3.781 1.00 10.00 C ATOM 195 O GLU A 13 -4.558 7.668 -2.908 1.00 10.00 O ATOM 196 CB GLU A 13 -5.471 10.557 -4.224 1.00 10.00 C ATOM 197 CG GLU A 13 -5.951 11.859 -3.565 1.00 10.00 C ATOM 198 CD GLU A 13 -6.763 11.589 -2.290 1.00 10.00 C ATOM 199 OE1 GLU A 13 -6.154 11.147 -1.288 1.00 10.00 O ATOM 200 OE2 GLU A 13 -7.994 11.812 -2.339 1.00 10.00 O ATOM 0 H GLU A 13 -3.189 11.332 -4.730 1.00 10.00 H new ATOM 0 HA GLU A 13 -4.307 10.106 -2.461 1.00 10.00 H new ATOM 0 HB2 GLU A 13 -5.242 10.750 -5.272 1.00 10.00 H new ATOM 0 HB3 GLU A 13 -6.280 9.826 -4.204 1.00 10.00 H new ATOM 0 HG2 GLU A 13 -5.090 12.482 -3.322 1.00 10.00 H new ATOM 0 HG3 GLU A 13 -6.561 12.420 -4.272 1.00 10.00 H new ATOM 207 N ILE A 14 -3.613 7.994 -4.917 1.00 10.00 N ATOM 208 CA ILE A 14 -3.359 6.561 -5.149 1.00 10.00 C ATOM 209 C ILE A 14 -2.311 6.033 -4.154 1.00 10.00 C ATOM 210 O ILE A 14 -2.502 4.975 -3.556 1.00 10.00 O ATOM 211 CB ILE A 14 -2.950 6.320 -6.621 1.00 10.00 C ATOM 212 CG1 ILE A 14 -4.184 6.548 -7.527 1.00 10.00 C ATOM 213 CG2 ILE A 14 -2.380 4.902 -6.826 1.00 10.00 C ATOM 214 CD1 ILE A 14 -3.900 6.523 -9.035 1.00 10.00 C ATOM 0 H ILE A 14 -3.332 8.599 -5.689 1.00 10.00 H new ATOM 0 HA ILE A 14 -4.277 5.999 -4.974 1.00 10.00 H new ATOM 0 HB ILE A 14 -2.161 7.023 -6.887 1.00 10.00 H new ATOM 0 HG12 ILE A 14 -4.927 5.784 -7.301 1.00 10.00 H new ATOM 0 HG13 ILE A 14 -4.629 7.510 -7.273 1.00 10.00 H new ATOM 0 HG21 ILE A 14 -2.103 4.769 -7.872 1.00 10.00 H new ATOM 0 HG22 ILE A 14 -1.499 4.770 -6.198 1.00 10.00 H new ATOM 0 HG23 ILE A 14 -3.134 4.164 -6.553 1.00 10.00 H new ATOM 0 HD11 ILE A 14 -4.827 6.692 -9.583 1.00 10.00 H new ATOM 0 HD12 ILE A 14 -3.184 7.306 -9.283 1.00 10.00 H new ATOM 0 HD13 ILE A 14 -3.487 5.553 -9.311 1.00 10.00 H new ATOM 226 N SER A 15 -1.231 6.784 -3.927 1.00 10.00 N ATOM 227 CA SER A 15 -0.190 6.441 -2.948 1.00 10.00 C ATOM 228 C SER A 15 -0.760 6.363 -1.519 1.00 10.00 C ATOM 229 O SER A 15 -0.470 5.427 -0.772 1.00 10.00 O ATOM 230 CB SER A 15 0.961 7.453 -3.042 1.00 10.00 C ATOM 231 OG SER A 15 1.425 7.556 -4.375 1.00 10.00 O ATOM 0 H SER A 15 -1.050 7.657 -4.422 1.00 10.00 H new ATOM 0 HA SER A 15 0.197 5.450 -3.184 1.00 10.00 H new ATOM 0 HB2 SER A 15 0.624 8.429 -2.692 1.00 10.00 H new ATOM 0 HB3 SER A 15 1.778 7.145 -2.389 1.00 10.00 H new ATOM 0 HG SER A 15 0.878 8.207 -4.862 1.00 10.00 H new ATOM 237 N SER A 16 -1.646 7.298 -1.170 1.00 10.00 N ATOM 238 CA SER A 16 -2.413 7.326 0.076 1.00 10.00 C ATOM 239 C SER A 16 -3.353 6.123 0.186 1.00 10.00 C ATOM 240 O SER A 16 -3.377 5.472 1.231 1.00 10.00 O ATOM 241 CB SER A 16 -3.203 8.639 0.141 1.00 10.00 C ATOM 242 OG SER A 16 -3.970 8.712 1.325 1.00 10.00 O ATOM 0 H SER A 16 -1.857 8.091 -1.775 1.00 10.00 H new ATOM 0 HA SER A 16 -1.722 7.268 0.917 1.00 10.00 H new ATOM 0 HB2 SER A 16 -2.515 9.484 0.097 1.00 10.00 H new ATOM 0 HB3 SER A 16 -3.859 8.716 -0.726 1.00 10.00 H new ATOM 0 HG SER A 16 -4.463 9.559 1.344 1.00 10.00 H new ATOM 248 N PHE A 17 -4.065 5.760 -0.890 1.00 10.00 N ATOM 249 CA PHE A 17 -4.884 4.546 -0.945 1.00 10.00 C ATOM 250 C PHE A 17 -4.052 3.280 -0.686 1.00 10.00 C ATOM 251 O PHE A 17 -4.480 2.422 0.089 1.00 10.00 O ATOM 252 CB PHE A 17 -5.625 4.490 -2.291 1.00 10.00 C ATOM 253 CG PHE A 17 -6.231 3.141 -2.634 1.00 10.00 C ATOM 254 CD1 PHE A 17 -7.423 2.722 -2.014 1.00 10.00 C ATOM 255 CD2 PHE A 17 -5.591 2.296 -3.564 1.00 10.00 C ATOM 256 CE1 PHE A 17 -7.975 1.466 -2.325 1.00 10.00 C ATOM 257 CE2 PHE A 17 -6.144 1.040 -3.875 1.00 10.00 C ATOM 258 CZ PHE A 17 -7.337 0.627 -3.257 1.00 10.00 C ATOM 0 H PHE A 17 -4.087 6.306 -1.751 1.00 10.00 H new ATOM 0 HA PHE A 17 -5.623 4.584 -0.145 1.00 10.00 H new ATOM 0 HB2 PHE A 17 -6.419 5.237 -2.283 1.00 10.00 H new ATOM 0 HB3 PHE A 17 -4.931 4.772 -3.083 1.00 10.00 H new ATOM 0 HD1 PHE A 17 -7.914 3.365 -1.299 1.00 10.00 H new ATOM 0 HD2 PHE A 17 -4.674 2.614 -4.039 1.00 10.00 H new ATOM 0 HE1 PHE A 17 -8.889 1.145 -1.848 1.00 10.00 H new ATOM 0 HE2 PHE A 17 -5.652 0.394 -4.588 1.00 10.00 H new ATOM 0 HZ PHE A 17 -7.764 -0.335 -3.498 1.00 10.00 H new ATOM 268 N LEU A 18 -2.846 3.177 -1.264 1.00 10.00 N ATOM 269 CA LEU A 18 -1.920 2.072 -0.989 1.00 10.00 C ATOM 270 C LEU A 18 -1.476 2.051 0.482 1.00 10.00 C ATOM 271 O LEU A 18 -1.621 1.024 1.146 1.00 10.00 O ATOM 272 CB LEU A 18 -0.699 2.163 -1.924 1.00 10.00 C ATOM 273 CG LEU A 18 -1.021 1.954 -3.412 1.00 10.00 C ATOM 274 CD1 LEU A 18 0.196 2.311 -4.271 1.00 10.00 C ATOM 275 CD2 LEU A 18 -1.423 0.513 -3.709 1.00 10.00 C ATOM 0 H LEU A 18 -2.487 3.857 -1.934 1.00 10.00 H new ATOM 0 HA LEU A 18 -2.448 1.137 -1.180 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -0.234 3.141 -1.799 1.00 10.00 H new ATOM 0 HB3 LEU A 18 0.035 1.419 -1.616 1.00 10.00 H new ATOM 0 HG LEU A 18 -1.860 2.606 -3.653 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -0.044 2.159 -5.323 1.00 10.00 H new ATOM 0 HD12 LEU A 18 0.463 3.355 -4.107 1.00 10.00 H new ATOM 0 HD13 LEU A 18 1.036 1.674 -3.995 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -1.642 0.408 -4.772 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -0.606 -0.156 -3.439 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -2.309 0.255 -3.129 1.00 10.00 H new ATOM 287 N HIS A 19 -1.000 3.183 1.015 1.00 10.00 N ATOM 288 CA HIS A 19 -0.551 3.293 2.408 1.00 10.00 C ATOM 289 C HIS A 19 -1.672 2.953 3.409 1.00 10.00 C ATOM 290 O HIS A 19 -1.452 2.185 4.354 1.00 10.00 O ATOM 291 CB HIS A 19 0.014 4.707 2.620 1.00 10.00 C ATOM 292 CG HIS A 19 0.626 4.994 3.974 1.00 10.00 C ATOM 293 ND1 HIS A 19 0.994 6.242 4.424 1.00 10.00 N ATOM 294 CD2 HIS A 19 0.962 4.105 4.964 1.00 10.00 C ATOM 295 CE1 HIS A 19 1.532 6.105 5.648 1.00 10.00 C ATOM 296 NE2 HIS A 19 1.532 4.819 6.021 1.00 10.00 N ATOM 0 H HIS A 19 -0.915 4.053 0.489 1.00 10.00 H new ATOM 0 HA HIS A 19 0.232 2.559 2.598 1.00 10.00 H new ATOM 0 HB2 HIS A 19 0.771 4.889 1.858 1.00 10.00 H new ATOM 0 HB3 HIS A 19 -0.789 5.424 2.450 1.00 10.00 H new ATOM 0 HD2 HIS A 19 0.812 3.036 4.932 1.00 10.00 H new ATOM 0 HE1 HIS A 19 1.912 6.919 6.248 1.00 10.00 H new ATOM 0 HE2 HIS A 19 1.879 4.437 6.901 1.00 10.00 H new ATOM 304 N ASN A 20 -2.889 3.460 3.179 1.00 10.00 N ATOM 305 CA ASN A 20 -4.062 3.094 3.970 1.00 10.00 C ATOM 306 C ASN A 20 -4.415 1.606 3.799 1.00 10.00 C ATOM 307 O ASN A 20 -4.704 0.952 4.794 1.00 10.00 O ATOM 308 CB ASN A 20 -5.250 4.004 3.617 1.00 10.00 C ATOM 309 CG ASN A 20 -5.121 5.384 4.249 1.00 10.00 C ATOM 310 OD1 ASN A 20 -5.522 5.608 5.379 1.00 10.00 O ATOM 311 ND2 ASN A 20 -4.557 6.346 3.550 1.00 10.00 N ATOM 0 H ASN A 20 -3.085 4.135 2.439 1.00 10.00 H new ATOM 0 HA ASN A 20 -3.824 3.243 5.023 1.00 10.00 H new ATOM 0 HB2 ASN A 20 -5.319 4.107 2.534 1.00 10.00 H new ATOM 0 HB3 ASN A 20 -6.176 3.537 3.952 1.00 10.00 H new ATOM 0 HD21 ASN A 20 -4.456 7.277 3.953 1.00 10.00 H new ATOM 0 HD22 ASN A 20 -4.221 6.160 2.605 1.00 10.00 H new ATOM 318 N THR A 21 -4.322 1.043 2.588 1.00 10.00 N ATOM 319 CA THR A 21 -4.620 -0.381 2.340 1.00 10.00 C ATOM 320 C THR A 21 -3.689 -1.306 3.136 1.00 10.00 C ATOM 321 O THR A 21 -4.177 -2.210 3.815 1.00 10.00 O ATOM 322 CB THR A 21 -4.541 -0.716 0.837 1.00 10.00 C ATOM 323 OG1 THR A 21 -5.465 0.069 0.121 1.00 10.00 O ATOM 324 CG2 THR A 21 -4.901 -2.173 0.545 1.00 10.00 C ATOM 0 H THR A 21 -4.040 1.556 1.753 1.00 10.00 H new ATOM 0 HA THR A 21 -5.641 -0.553 2.682 1.00 10.00 H new ATOM 0 HB THR A 21 -3.511 -0.521 0.536 1.00 10.00 H new ATOM 0 HG1 THR A 21 -5.266 1.018 0.261 1.00 10.00 H new ATOM 0 HG21 THR A 21 -4.830 -2.358 -0.527 1.00 10.00 H new ATOM 0 HG22 THR A 21 -4.211 -2.831 1.073 1.00 10.00 H new ATOM 0 HG23 THR A 21 -5.919 -2.370 0.880 1.00 10.00 H new ATOM 332 N ILE A 22 -2.369 -1.056 3.121 1.00 10.00 N ATOM 333 CA ILE A 22 -1.412 -1.811 3.950 1.00 10.00 C ATOM 334 C ILE A 22 -1.738 -1.625 5.439 1.00 10.00 C ATOM 335 O ILE A 22 -1.770 -2.599 6.192 1.00 10.00 O ATOM 336 CB ILE A 22 0.045 -1.382 3.652 1.00 10.00 C ATOM 337 CG1 ILE A 22 0.383 -1.604 2.169 1.00 10.00 C ATOM 338 CG2 ILE A 22 1.078 -2.142 4.511 1.00 10.00 C ATOM 339 CD1 ILE A 22 1.838 -1.313 1.815 1.00 10.00 C ATOM 0 H ILE A 22 -1.939 -0.335 2.542 1.00 10.00 H new ATOM 0 HA ILE A 22 -1.505 -2.868 3.701 1.00 10.00 H new ATOM 0 HB ILE A 22 0.106 -0.323 3.902 1.00 10.00 H new ATOM 0 HG12 ILE A 22 0.155 -2.637 1.905 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.262 -0.970 1.561 1.00 10.00 H new ATOM 0 HG21 ILE A 22 2.082 -1.800 4.259 1.00 10.00 H new ATOM 0 HG22 ILE A 22 0.884 -1.952 5.567 1.00 10.00 H new ATOM 0 HG23 ILE A 22 0.999 -3.211 4.314 1.00 10.00 H new ATOM 0 HD11 ILE A 22 1.997 -1.493 0.752 1.00 10.00 H new ATOM 0 HD12 ILE A 22 2.067 -0.273 2.045 1.00 10.00 H new ATOM 0 HD13 ILE A 22 2.491 -1.965 2.395 1.00 10.00 H new ATOM 351 N SER A 23 -2.014 -0.381 5.850 1.00 10.00 N ATOM 352 CA SER A 23 -2.316 -0.034 7.242 1.00 10.00 C ATOM 353 C SER A 23 -3.561 -0.771 7.754 1.00 10.00 C ATOM 354 O SER A 23 -3.485 -1.458 8.772 1.00 10.00 O ATOM 355 CB SER A 23 -2.497 1.482 7.393 1.00 10.00 C ATOM 356 OG SER A 23 -1.360 2.174 6.918 1.00 10.00 O ATOM 0 H SER A 23 -2.034 0.420 5.219 1.00 10.00 H new ATOM 0 HA SER A 23 -1.468 -0.352 7.849 1.00 10.00 H new ATOM 0 HB2 SER A 23 -3.380 1.804 6.842 1.00 10.00 H new ATOM 0 HB3 SER A 23 -2.667 1.730 8.441 1.00 10.00 H new ATOM 0 HG SER A 23 -1.555 2.559 6.038 1.00 10.00 H new ATOM 362 N ASP A 24 -4.679 -0.714 7.017 1.00 10.00 N ATOM 363 CA ASP A 24 -5.857 -1.536 7.280 1.00 10.00 C ATOM 364 C ASP A 24 -5.633 -3.039 7.244 1.00 10.00 C ATOM 365 O ASP A 24 -6.204 -3.719 8.103 1.00 10.00 O ATOM 366 CB ASP A 24 -7.036 -1.164 6.365 1.00 10.00 C ATOM 367 CG ASP A 24 -7.769 0.063 6.889 1.00 10.00 C ATOM 368 OD1 ASP A 24 -8.479 -0.181 7.898 1.00 10.00 O ATOM 369 OD2 ASP A 24 -7.650 1.158 6.309 1.00 10.00 O ATOM 0 H ASP A 24 -4.787 -0.090 6.217 1.00 10.00 H new ATOM 0 HA ASP A 24 -6.100 -1.297 8.315 1.00 10.00 H new ATOM 0 HB2 ASP A 24 -6.671 -0.970 5.356 1.00 10.00 H new ATOM 0 HB3 ASP A 24 -7.728 -2.004 6.298 1.00 10.00 H new ATOM 374 N PHE A 25 -4.810 -3.556 6.325 1.00 10.00 N ATOM 375 CA PHE A 25 -4.522 -4.987 6.289 1.00 10.00 C ATOM 376 C PHE A 25 -3.782 -5.413 7.564 1.00 10.00 C ATOM 377 O PHE A 25 -4.225 -6.346 8.236 1.00 10.00 O ATOM 378 CB PHE A 25 -3.719 -5.312 5.020 1.00 10.00 C ATOM 379 CG PHE A 25 -3.571 -6.795 4.747 1.00 10.00 C ATOM 380 CD1 PHE A 25 -2.539 -7.531 5.359 1.00 10.00 C ATOM 381 CD2 PHE A 25 -4.460 -7.442 3.868 1.00 10.00 C ATOM 382 CE1 PHE A 25 -2.399 -8.903 5.092 1.00 10.00 C ATOM 383 CE2 PHE A 25 -4.341 -8.822 3.628 1.00 10.00 C ATOM 384 CZ PHE A 25 -3.312 -9.552 4.243 1.00 10.00 C ATOM 0 H PHE A 25 -4.338 -3.009 5.605 1.00 10.00 H new ATOM 0 HA PHE A 25 -5.453 -5.553 6.255 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -4.205 -4.842 4.165 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.727 -4.868 5.106 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -1.854 -7.040 6.035 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -5.237 -6.876 3.376 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -1.589 -9.460 5.540 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -5.040 -9.319 2.972 1.00 10.00 H new ATOM 0 HZ PHE A 25 -3.222 -10.613 4.064 1.00 10.00 H new ATOM 394 N ILE A 26 -2.759 -4.653 7.986 1.00 10.00 N ATOM 395 CA ILE A 26 -2.005 -4.887 9.214 1.00 10.00 C ATOM 396 C ILE A 26 -2.928 -4.783 10.436 1.00 10.00 C ATOM 397 O ILE A 26 -2.981 -5.727 11.224 1.00 10.00 O ATOM 398 CB ILE A 26 -0.804 -3.912 9.238 1.00 10.00 C ATOM 399 CG1 ILE A 26 0.254 -4.384 8.211 1.00 10.00 C ATOM 400 CG2 ILE A 26 -0.194 -3.800 10.638 1.00 10.00 C ATOM 401 CD1 ILE A 26 1.443 -3.432 8.033 1.00 10.00 C ATOM 0 H ILE A 26 -2.430 -3.840 7.465 1.00 10.00 H new ATOM 0 HA ILE A 26 -1.602 -5.899 9.249 1.00 10.00 H new ATOM 0 HB ILE A 26 -1.157 -2.917 8.966 1.00 10.00 H new ATOM 0 HG12 ILE A 26 0.630 -5.360 8.519 1.00 10.00 H new ATOM 0 HG13 ILE A 26 -0.232 -4.521 7.245 1.00 10.00 H new ATOM 0 HG21 ILE A 26 0.647 -3.106 10.614 1.00 10.00 H new ATOM 0 HG22 ILE A 26 -0.948 -3.433 11.335 1.00 10.00 H new ATOM 0 HG23 ILE A 26 0.154 -4.781 10.963 1.00 10.00 H new ATOM 0 HD11 ILE A 26 2.132 -3.844 7.295 1.00 10.00 H new ATOM 0 HD12 ILE A 26 1.084 -2.461 7.692 1.00 10.00 H new ATOM 0 HD13 ILE A 26 1.960 -3.313 8.985 1.00 10.00 H new ATOM 413 N LEU A 27 -3.731 -3.713 10.544 1.00 10.00 N ATOM 414 CA LEU A 27 -4.714 -3.522 11.623 1.00 10.00 C ATOM 415 C LEU A 27 -5.832 -4.581 11.657 1.00 10.00 C ATOM 416 O LEU A 27 -6.569 -4.645 12.641 1.00 10.00 O ATOM 417 CB LEU A 27 -5.307 -2.095 11.547 1.00 10.00 C ATOM 418 CG LEU A 27 -4.613 -1.031 12.422 1.00 10.00 C ATOM 419 CD1 LEU A 27 -4.905 -1.263 13.909 1.00 10.00 C ATOM 420 CD2 LEU A 27 -3.097 -0.947 12.225 1.00 10.00 C ATOM 0 H LEU A 27 -3.716 -2.944 9.874 1.00 10.00 H new ATOM 0 HA LEU A 27 -4.171 -3.651 12.559 1.00 10.00 H new ATOM 0 HB2 LEU A 27 -5.273 -1.763 10.509 1.00 10.00 H new ATOM 0 HB3 LEU A 27 -6.358 -2.143 11.832 1.00 10.00 H new ATOM 0 HG LEU A 27 -5.035 -0.082 12.091 1.00 10.00 H new ATOM 0 HD11 LEU A 27 -4.403 -0.498 14.502 1.00 10.00 H new ATOM 0 HD12 LEU A 27 -5.980 -1.209 14.082 1.00 10.00 H new ATOM 0 HD13 LEU A 27 -4.540 -2.247 14.202 1.00 10.00 H new ATOM 0 HD21 LEU A 27 -2.688 -0.175 12.877 1.00 10.00 H new ATOM 0 HD22 LEU A 27 -2.644 -1.908 12.471 1.00 10.00 H new ATOM 0 HD23 LEU A 27 -2.878 -0.698 11.187 1.00 10.00 H new ATOM 432 N LYS A 28 -5.953 -5.424 10.621 1.00 10.00 N ATOM 433 CA LYS A 28 -6.857 -6.585 10.575 1.00 10.00 C ATOM 434 C LYS A 28 -6.097 -7.915 10.418 1.00 10.00 C ATOM 435 O LYS A 28 -6.712 -8.948 10.132 1.00 10.00 O ATOM 436 CB LYS A 28 -7.959 -6.326 9.525 1.00 10.00 C ATOM 437 CG LYS A 28 -9.022 -5.382 10.121 1.00 10.00 C ATOM 438 CD LYS A 28 -10.002 -4.767 9.107 1.00 10.00 C ATOM 439 CE LYS A 28 -9.411 -3.689 8.182 1.00 10.00 C ATOM 440 NZ LYS A 28 -8.655 -2.654 8.925 1.00 10.00 N ATOM 0 H LYS A 28 -5.408 -5.314 9.766 1.00 10.00 H new ATOM 0 HA LYS A 28 -7.360 -6.703 11.535 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -7.525 -5.883 8.628 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -8.420 -7.267 9.225 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -9.595 -5.933 10.867 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -8.512 -4.573 10.645 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -10.408 -5.568 8.489 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -10.838 -4.332 9.655 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -8.753 -4.162 7.453 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -10.217 -3.214 7.622 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -8.798 -1.728 8.473 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -8.993 -2.615 9.908 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -7.642 -2.891 8.917 1.00 10.00 H new ATOM 454 N ARG A 29 -4.772 -7.907 10.647 1.00 10.00 N ATOM 455 CA ARG A 29 -3.884 -9.080 10.765 1.00 10.00 C ATOM 456 C ARG A 29 -3.238 -9.215 12.156 1.00 10.00 C ATOM 457 O ARG A 29 -3.136 -10.336 12.643 1.00 10.00 O ATOM 458 CB ARG A 29 -2.780 -9.011 9.685 1.00 10.00 C ATOM 459 CG ARG A 29 -2.826 -10.106 8.605 1.00 10.00 C ATOM 460 CD ARG A 29 -3.957 -9.950 7.586 1.00 10.00 C ATOM 461 NE ARG A 29 -5.270 -10.239 8.163 1.00 10.00 N ATOM 462 CZ ARG A 29 -6.016 -11.318 8.026 1.00 10.00 C ATOM 463 NH1 ARG A 29 -5.677 -12.329 7.258 1.00 10.00 N ATOM 464 NH2 ARG A 29 -7.133 -11.358 8.710 1.00 10.00 N ATOM 0 H ARG A 29 -4.261 -7.031 10.762 1.00 10.00 H new ATOM 0 HA ARG A 29 -4.508 -9.962 10.618 1.00 10.00 H new ATOM 0 HB2 ARG A 29 -2.840 -8.040 9.193 1.00 10.00 H new ATOM 0 HB3 ARG A 29 -1.810 -9.058 10.181 1.00 10.00 H new ATOM 0 HG2 ARG A 29 -1.874 -10.114 8.073 1.00 10.00 H new ATOM 0 HG3 ARG A 29 -2.926 -11.075 9.093 1.00 10.00 H new ATOM 0 HD2 ARG A 29 -3.951 -8.933 7.193 1.00 10.00 H new ATOM 0 HD3 ARG A 29 -3.778 -10.618 6.743 1.00 10.00 H new ATOM 0 HE ARG A 29 -5.663 -9.505 8.752 1.00 10.00 H new ATOM 0 HH11 ARG A 29 -4.802 -12.301 6.734 1.00 10.00 H new ATOM 0 HH12 ARG A 29 -6.289 -13.142 7.185 1.00 10.00 H new ATOM 0 HH21 ARG A 29 -7.390 -10.577 9.313 1.00 10.00 H new ATOM 0 HH22 ARG A 29 -7.746 -12.170 8.639 1.00 10.00 H new ATOM 478 N VAL A 30 -2.831 -8.114 12.800 1.00 10.00 N ATOM 479 CA VAL A 30 -2.121 -8.109 14.095 1.00 10.00 C ATOM 480 C VAL A 30 -2.510 -6.878 14.928 1.00 10.00 C ATOM 481 O VAL A 30 -2.891 -5.843 14.378 1.00 10.00 O ATOM 482 CB VAL A 30 -0.594 -8.213 13.863 1.00 10.00 C ATOM 483 CG1 VAL A 30 -0.027 -7.116 12.948 1.00 10.00 C ATOM 484 CG2 VAL A 30 0.218 -8.235 15.165 1.00 10.00 C ATOM 0 H VAL A 30 -2.988 -7.177 12.430 1.00 10.00 H new ATOM 0 HA VAL A 30 -2.423 -8.982 14.674 1.00 10.00 H new ATOM 0 HB VAL A 30 -0.483 -9.173 13.358 1.00 10.00 H new ATOM 0 HG11 VAL A 30 1.048 -7.257 12.834 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -0.506 -7.174 11.971 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -0.220 -6.138 13.389 1.00 10.00 H new ATOM 0 HG21 VAL A 30 1.280 -8.309 14.930 1.00 10.00 H new ATOM 0 HG22 VAL A 30 0.033 -7.318 15.725 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -0.081 -9.094 15.766 1.00 10.00 H new ATOM 494 N SER A 31 -2.453 -6.983 16.263 1.00 10.00 N ATOM 495 CA SER A 31 -2.913 -5.906 17.141 1.00 10.00 C ATOM 496 C SER A 31 -1.864 -4.803 17.283 1.00 10.00 C ATOM 497 O SER A 31 -0.768 -5.042 17.779 1.00 10.00 O ATOM 498 CB SER A 31 -3.255 -6.448 18.531 1.00 10.00 C ATOM 499 OG SER A 31 -3.939 -5.437 19.255 1.00 10.00 O ATOM 0 H SER A 31 -2.094 -7.801 16.754 1.00 10.00 H new ATOM 0 HA SER A 31 -3.806 -5.483 16.680 1.00 10.00 H new ATOM 0 HB2 SER A 31 -3.876 -7.340 18.447 1.00 10.00 H new ATOM 0 HB3 SER A 31 -2.346 -6.741 19.057 1.00 10.00 H new ATOM 0 HG SER A 31 -4.166 -5.771 20.148 1.00 10.00 H new ATOM 505 N ALA A 32 -2.246 -3.561 16.969 1.00 10.00 N ATOM 506 CA ALA A 32 -1.473 -2.349 17.230 1.00 10.00 C ATOM 507 C ALA A 32 -0.983 -2.228 18.687 1.00 10.00 C ATOM 508 O ALA A 32 0.046 -1.605 18.919 1.00 10.00 O ATOM 509 CB ALA A 32 -2.305 -1.134 16.813 1.00 10.00 C ATOM 0 H ALA A 32 -3.136 -3.368 16.509 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.562 -2.401 16.634 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.738 -0.222 17.003 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -2.539 -1.201 15.751 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -3.231 -1.112 17.388 1.00 10.00 H new ATOM 515 N LYS A 33 -1.659 -2.868 19.658 1.00 10.00 N ATOM 516 CA LYS A 33 -1.186 -2.992 21.049 1.00 10.00 C ATOM 517 C LYS A 33 0.185 -3.678 21.185 1.00 10.00 C ATOM 518 O LYS A 33 0.839 -3.516 22.209 1.00 10.00 O ATOM 519 CB LYS A 33 -2.221 -3.757 21.888 1.00 10.00 C ATOM 520 CG LYS A 33 -3.581 -3.047 21.952 1.00 10.00 C ATOM 521 CD LYS A 33 -4.548 -3.834 22.843 1.00 10.00 C ATOM 522 CE LYS A 33 -5.904 -3.125 22.895 1.00 10.00 C ATOM 523 NZ LYS A 33 -6.857 -3.851 23.766 1.00 10.00 N ATOM 0 H LYS A 33 -2.560 -3.319 19.497 1.00 10.00 H new ATOM 0 HA LYS A 33 -1.063 -1.973 21.415 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -2.357 -4.754 21.468 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -1.837 -3.887 22.900 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -3.454 -2.038 22.343 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -3.996 -2.950 20.949 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -4.671 -4.845 22.456 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -4.137 -3.926 23.848 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -5.771 -2.108 23.265 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -6.315 -3.047 21.888 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -7.767 -3.347 23.781 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -7.000 -4.813 23.398 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -6.474 -3.904 24.731 1.00 10.00 H new ATOM 537 N GLU A 34 0.609 -4.429 20.166 1.00 10.00 N ATOM 538 CA GLU A 34 1.897 -5.128 20.090 1.00 10.00 C ATOM 539 C GLU A 34 2.901 -4.398 19.185 1.00 10.00 C ATOM 540 O GLU A 34 4.066 -4.792 19.115 1.00 10.00 O ATOM 541 CB GLU A 34 1.673 -6.525 19.492 1.00 10.00 C ATOM 542 CG GLU A 34 0.560 -7.340 20.163 1.00 10.00 C ATOM 543 CD GLU A 34 0.375 -8.647 19.399 1.00 10.00 C ATOM 544 OE1 GLU A 34 1.277 -9.504 19.556 1.00 10.00 O ATOM 545 OE2 GLU A 34 -0.631 -8.754 18.655 1.00 10.00 O ATOM 0 H GLU A 34 0.039 -4.574 19.333 1.00 10.00 H new ATOM 0 HA GLU A 34 2.301 -5.174 21.101 1.00 10.00 H new ATOM 0 HB2 GLU A 34 1.438 -6.418 18.433 1.00 10.00 H new ATOM 0 HB3 GLU A 34 2.605 -7.087 19.557 1.00 10.00 H new ATOM 0 HG2 GLU A 34 0.817 -7.544 21.202 1.00 10.00 H new ATOM 0 HG3 GLU A 34 -0.371 -6.773 20.170 1.00 10.00 H new ATOM 552 N ILE A 35 2.443 -3.366 18.465 1.00 10.00 N ATOM 553 CA ILE A 35 3.209 -2.661 17.442 1.00 10.00 C ATOM 554 C ILE A 35 3.812 -1.399 18.061 1.00 10.00 C ATOM 555 O ILE A 35 3.097 -0.514 18.526 1.00 10.00 O ATOM 556 CB ILE A 35 2.291 -2.354 16.236 1.00 10.00 C ATOM 557 CG1 ILE A 35 1.673 -3.626 15.604 1.00 10.00 C ATOM 558 CG2 ILE A 35 2.998 -1.545 15.144 1.00 10.00 C ATOM 559 CD1 ILE A 35 2.660 -4.753 15.288 1.00 10.00 C ATOM 0 H ILE A 35 1.502 -2.992 18.585 1.00 10.00 H new ATOM 0 HA ILE A 35 4.031 -3.274 17.072 1.00 10.00 H new ATOM 0 HB ILE A 35 1.486 -1.751 16.655 1.00 10.00 H new ATOM 0 HG12 ILE A 35 0.911 -4.013 16.281 1.00 10.00 H new ATOM 0 HG13 ILE A 35 1.166 -3.342 14.682 1.00 10.00 H new ATOM 0 HG21 ILE A 35 2.306 -1.359 14.323 1.00 10.00 H new ATOM 0 HG22 ILE A 35 3.335 -0.594 15.556 1.00 10.00 H new ATOM 0 HG23 ILE A 35 3.857 -2.105 14.775 1.00 10.00 H new ATOM 0 HD11 ILE A 35 2.123 -5.594 14.850 1.00 10.00 H new ATOM 0 HD12 ILE A 35 3.409 -4.393 14.583 1.00 10.00 H new ATOM 0 HD13 ILE A 35 3.151 -5.075 16.206 1.00 10.00 H new ATOM 571 N VAL A 36 5.143 -1.320 18.039 1.00 10.00 N ATOM 572 CA VAL A 36 5.905 -0.119 18.385 1.00 10.00 C ATOM 573 C VAL A 36 5.680 0.946 17.315 1.00 10.00 C ATOM 574 O VAL A 36 5.324 2.069 17.663 1.00 10.00 O ATOM 575 CB VAL A 36 7.400 -0.471 18.532 1.00 10.00 C ATOM 576 CG1 VAL A 36 8.313 0.760 18.535 1.00 10.00 C ATOM 577 CG2 VAL A 36 7.622 -1.252 19.832 1.00 10.00 C ATOM 0 H VAL A 36 5.735 -2.107 17.774 1.00 10.00 H new ATOM 0 HA VAL A 36 5.563 0.279 19.341 1.00 10.00 H new ATOM 0 HB VAL A 36 7.663 -1.072 17.662 1.00 10.00 H new ATOM 0 HG11 VAL A 36 9.351 0.443 18.641 1.00 10.00 H new ATOM 0 HG12 VAL A 36 8.194 1.304 17.598 1.00 10.00 H new ATOM 0 HG13 VAL A 36 8.045 1.410 19.368 1.00 10.00 H new ATOM 0 HG21 VAL A 36 8.679 -1.499 19.932 1.00 10.00 H new ATOM 0 HG22 VAL A 36 7.310 -0.643 20.680 1.00 10.00 H new ATOM 0 HG23 VAL A 36 7.036 -2.171 19.809 1.00 10.00 H new ATOM 587 N ASP A 37 5.842 0.592 16.031 1.00 10.00 N ATOM 588 CA ASP A 37 5.481 1.477 14.915 1.00 10.00 C ATOM 589 C ASP A 37 5.380 0.744 13.559 1.00 10.00 C ATOM 590 O ASP A 37 5.678 -0.450 13.451 1.00 10.00 O ATOM 591 CB ASP A 37 6.473 2.665 14.819 1.00 10.00 C ATOM 592 CG ASP A 37 5.758 3.986 14.499 1.00 10.00 C ATOM 593 OD1 ASP A 37 4.734 3.924 13.778 1.00 10.00 O ATOM 594 OD2 ASP A 37 6.228 5.035 14.993 1.00 10.00 O ATOM 0 H ASP A 37 6.224 -0.308 15.739 1.00 10.00 H new ATOM 0 HA ASP A 37 4.483 1.855 15.134 1.00 10.00 H new ATOM 0 HB2 ASP A 37 7.013 2.764 15.761 1.00 10.00 H new ATOM 0 HB3 ASP A 37 7.214 2.457 14.047 1.00 10.00 H new ATOM 599 N ILE A 38 4.994 1.491 12.518 1.00 10.00 N ATOM 600 CA ILE A 38 5.035 1.079 11.111 1.00 10.00 C ATOM 601 C ILE A 38 5.696 2.163 10.258 1.00 10.00 C ATOM 602 O ILE A 38 5.441 3.352 10.429 1.00 10.00 O ATOM 603 CB ILE A 38 3.635 0.733 10.540 1.00 10.00 C ATOM 604 CG1 ILE A 38 2.581 1.852 10.725 1.00 10.00 C ATOM 605 CG2 ILE A 38 3.158 -0.603 11.119 1.00 10.00 C ATOM 606 CD1 ILE A 38 1.214 1.541 10.100 1.00 10.00 C ATOM 0 H ILE A 38 4.630 2.436 12.638 1.00 10.00 H new ATOM 0 HA ILE A 38 5.629 0.166 11.071 1.00 10.00 H new ATOM 0 HB ILE A 38 3.747 0.641 9.460 1.00 10.00 H new ATOM 0 HG12 ILE A 38 2.447 2.036 11.791 1.00 10.00 H new ATOM 0 HG13 ILE A 38 2.966 2.774 10.288 1.00 10.00 H new ATOM 0 HG21 ILE A 38 2.174 -0.844 10.716 1.00 10.00 H new ATOM 0 HG22 ILE A 38 3.863 -1.389 10.849 1.00 10.00 H new ATOM 0 HG23 ILE A 38 3.097 -0.528 12.205 1.00 10.00 H new ATOM 0 HD11 ILE A 38 0.535 2.376 10.275 1.00 10.00 H new ATOM 0 HD12 ILE A 38 1.331 1.387 9.027 1.00 10.00 H new ATOM 0 HD13 ILE A 38 0.804 0.639 10.553 1.00 10.00 H new ATOM 618 N ASP A 39 6.473 1.726 9.268 1.00 10.00 N ATOM 619 CA ASP A 39 7.087 2.588 8.261 1.00 10.00 C ATOM 620 C ASP A 39 6.778 2.034 6.875 1.00 10.00 C ATOM 621 O ASP A 39 7.145 0.911 6.536 1.00 10.00 O ATOM 622 CB ASP A 39 8.595 2.744 8.508 1.00 10.00 C ATOM 623 CG ASP A 39 8.881 3.779 9.598 1.00 10.00 C ATOM 624 OD1 ASP A 39 8.898 4.976 9.229 1.00 10.00 O ATOM 625 OD2 ASP A 39 9.101 3.378 10.760 1.00 10.00 O ATOM 0 H ASP A 39 6.698 0.739 9.142 1.00 10.00 H new ATOM 0 HA ASP A 39 6.665 3.591 8.331 1.00 10.00 H new ATOM 0 HB2 ASP A 39 9.019 1.782 8.798 1.00 10.00 H new ATOM 0 HB3 ASP A 39 9.087 3.043 7.583 1.00 10.00 H new ATOM 630 N ILE A 40 6.063 2.826 6.073 1.00 10.00 N ATOM 631 CA ILE A 40 5.575 2.435 4.752 1.00 10.00 C ATOM 632 C ILE A 40 5.995 3.513 3.762 1.00 10.00 C ATOM 633 O ILE A 40 5.719 4.697 3.945 1.00 10.00 O ATOM 634 CB ILE A 40 4.047 2.192 4.783 1.00 10.00 C ATOM 635 CG1 ILE A 40 3.741 0.886 5.548 1.00 10.00 C ATOM 636 CG2 ILE A 40 3.468 2.084 3.357 1.00 10.00 C ATOM 637 CD1 ILE A 40 2.304 0.750 6.049 1.00 10.00 C ATOM 0 H ILE A 40 5.802 3.778 6.331 1.00 10.00 H new ATOM 0 HA ILE A 40 6.012 1.488 4.435 1.00 10.00 H new ATOM 0 HB ILE A 40 3.584 3.041 5.285 1.00 10.00 H new ATOM 0 HG12 ILE A 40 3.964 0.041 4.897 1.00 10.00 H new ATOM 0 HG13 ILE A 40 4.415 0.817 6.402 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.393 1.913 3.413 1.00 10.00 H new ATOM 0 HG22 ILE A 40 3.661 3.010 2.815 1.00 10.00 H new ATOM 0 HG23 ILE A 40 3.941 1.252 2.834 1.00 10.00 H new ATOM 0 HD11 ILE A 40 2.190 -0.199 6.573 1.00 10.00 H new ATOM 0 HD12 ILE A 40 2.077 1.570 6.730 1.00 10.00 H new ATOM 0 HD13 ILE A 40 1.619 0.782 5.202 1.00 10.00 H new ATOM 649 N THR A 41 6.667 3.075 2.699 1.00 10.00 N ATOM 650 CA THR A 41 7.153 3.912 1.610 1.00 10.00 C ATOM 651 C THR A 41 6.494 3.428 0.325 1.00 10.00 C ATOM 652 O THR A 41 6.677 2.287 -0.102 1.00 10.00 O ATOM 653 CB THR A 41 8.684 3.828 1.531 1.00 10.00 C ATOM 654 OG1 THR A 41 9.232 4.397 2.696 1.00 10.00 O ATOM 655 CG2 THR A 41 9.261 4.595 0.343 1.00 10.00 C ATOM 0 H THR A 41 6.895 2.089 2.570 1.00 10.00 H new ATOM 0 HA THR A 41 6.898 4.959 1.773 1.00 10.00 H new ATOM 0 HB THR A 41 8.936 2.773 1.420 1.00 10.00 H new ATOM 0 HG1 THR A 41 10.210 4.347 2.656 1.00 10.00 H new ATOM 0 HG21 THR A 41 10.347 4.499 0.340 1.00 10.00 H new ATOM 0 HG22 THR A 41 8.858 4.187 -0.584 1.00 10.00 H new ATOM 0 HG23 THR A 41 8.990 5.648 0.424 1.00 10.00 H new ATOM 663 N VAL A 42 5.714 4.325 -0.274 1.00 10.00 N ATOM 664 CA VAL A 42 5.002 4.150 -1.529 1.00 10.00 C ATOM 665 C VAL A 42 5.571 5.141 -2.541 1.00 10.00 C ATOM 666 O VAL A 42 5.532 6.349 -2.313 1.00 10.00 O ATOM 667 CB VAL A 42 3.484 4.334 -1.312 1.00 10.00 C ATOM 668 CG1 VAL A 42 2.875 3.047 -0.738 1.00 10.00 C ATOM 669 CG2 VAL A 42 3.101 5.500 -0.381 1.00 10.00 C ATOM 0 H VAL A 42 5.555 5.247 0.132 1.00 10.00 H new ATOM 0 HA VAL A 42 5.139 3.140 -1.916 1.00 10.00 H new ATOM 0 HB VAL A 42 3.086 4.570 -2.299 1.00 10.00 H new ATOM 0 HG11 VAL A 42 1.804 3.186 -0.588 1.00 10.00 H new ATOM 0 HG12 VAL A 42 3.040 2.224 -1.434 1.00 10.00 H new ATOM 0 HG13 VAL A 42 3.348 2.815 0.216 1.00 10.00 H new ATOM 0 HG21 VAL A 42 2.016 5.551 -0.289 1.00 10.00 H new ATOM 0 HG22 VAL A 42 3.541 5.340 0.603 1.00 10.00 H new ATOM 0 HG23 VAL A 42 3.474 6.436 -0.797 1.00 10.00 H new ATOM 679 N LEU A 43 6.107 4.632 -3.650 1.00 10.00 N ATOM 680 CA LEU A 43 6.638 5.428 -4.754 1.00 10.00 C ATOM 681 C LEU A 43 5.820 5.128 -6.008 1.00 10.00 C ATOM 682 O LEU A 43 5.478 3.979 -6.284 1.00 10.00 O ATOM 683 CB LEU A 43 8.133 5.111 -4.982 1.00 10.00 C ATOM 684 CG LEU A 43 9.096 6.190 -4.452 1.00 10.00 C ATOM 685 CD1 LEU A 43 9.074 6.309 -2.927 1.00 10.00 C ATOM 686 CD2 LEU A 43 10.528 5.859 -4.881 1.00 10.00 C ATOM 0 H LEU A 43 6.186 3.627 -3.809 1.00 10.00 H new ATOM 0 HA LEU A 43 6.561 6.489 -4.515 1.00 10.00 H new ATOM 0 HB2 LEU A 43 8.369 4.162 -4.501 1.00 10.00 H new ATOM 0 HB3 LEU A 43 8.306 4.979 -6.050 1.00 10.00 H new ATOM 0 HG LEU A 43 8.762 7.138 -4.873 1.00 10.00 H new ATOM 0 HD11 LEU A 43 9.772 7.085 -2.612 1.00 10.00 H new ATOM 0 HD12 LEU A 43 8.069 6.570 -2.597 1.00 10.00 H new ATOM 0 HD13 LEU A 43 9.366 5.357 -2.484 1.00 10.00 H new ATOM 0 HD21 LEU A 43 11.207 6.624 -4.504 1.00 10.00 H new ATOM 0 HD22 LEU A 43 10.814 4.889 -4.475 1.00 10.00 H new ATOM 0 HD23 LEU A 43 10.584 5.828 -5.969 1.00 10.00 H new ATOM 698 N VAL A 44 5.519 6.174 -6.775 1.00 10.00 N ATOM 699 CA VAL A 44 4.893 6.062 -8.090 1.00 10.00 C ATOM 700 C VAL A 44 5.540 7.075 -9.036 1.00 10.00 C ATOM 701 O VAL A 44 5.757 8.227 -8.666 1.00 10.00 O ATOM 702 CB VAL A 44 3.358 6.175 -7.970 1.00 10.00 C ATOM 703 CG1 VAL A 44 2.881 7.494 -7.352 1.00 10.00 C ATOM 704 CG2 VAL A 44 2.669 5.958 -9.322 1.00 10.00 C ATOM 0 H VAL A 44 5.706 7.137 -6.496 1.00 10.00 H new ATOM 0 HA VAL A 44 5.066 5.078 -8.526 1.00 10.00 H new ATOM 0 HB VAL A 44 3.070 5.379 -7.284 1.00 10.00 H new ATOM 0 HG11 VAL A 44 1.792 7.499 -7.301 1.00 10.00 H new ATOM 0 HG12 VAL A 44 3.292 7.595 -6.347 1.00 10.00 H new ATOM 0 HG13 VAL A 44 3.219 8.328 -7.968 1.00 10.00 H new ATOM 0 HG21 VAL A 44 1.590 6.045 -9.198 1.00 10.00 H new ATOM 0 HG22 VAL A 44 3.015 6.710 -10.031 1.00 10.00 H new ATOM 0 HG23 VAL A 44 2.912 4.965 -9.699 1.00 10.00 H new ATOM 714 N GLU A 45 5.869 6.636 -10.251 1.00 10.00 N ATOM 715 CA GLU A 45 6.590 7.421 -11.254 1.00 10.00 C ATOM 716 C GLU A 45 6.090 7.046 -12.656 1.00 10.00 C ATOM 717 O GLU A 45 5.588 5.941 -12.879 1.00 10.00 O ATOM 718 CB GLU A 45 8.107 7.165 -11.103 1.00 10.00 C ATOM 719 CG GLU A 45 8.990 8.047 -12.000 1.00 10.00 C ATOM 720 CD GLU A 45 10.477 7.718 -11.834 1.00 10.00 C ATOM 721 OE1 GLU A 45 11.065 8.187 -10.835 1.00 10.00 O ATOM 722 OE2 GLU A 45 11.006 7.012 -12.723 1.00 10.00 O ATOM 0 H GLU A 45 5.635 5.697 -10.574 1.00 10.00 H new ATOM 0 HA GLU A 45 6.407 8.485 -11.107 1.00 10.00 H new ATOM 0 HB2 GLU A 45 8.389 7.328 -10.063 1.00 10.00 H new ATOM 0 HB3 GLU A 45 8.311 6.118 -11.329 1.00 10.00 H new ATOM 0 HG2 GLU A 45 8.701 7.910 -13.042 1.00 10.00 H new ATOM 0 HG3 GLU A 45 8.821 9.096 -11.758 1.00 10.00 H new ATOM 729 N TYR A 46 6.258 7.957 -13.618 1.00 10.00 N ATOM 730 CA TYR A 46 5.938 7.702 -15.015 1.00 10.00 C ATOM 731 C TYR A 46 7.124 8.115 -15.894 1.00 10.00 C ATOM 732 O TYR A 46 7.404 9.302 -16.052 1.00 10.00 O ATOM 733 CB TYR A 46 4.632 8.415 -15.394 1.00 10.00 C ATOM 734 CG TYR A 46 4.042 7.784 -16.632 1.00 10.00 C ATOM 735 CD1 TYR A 46 4.634 8.008 -17.888 1.00 10.00 C ATOM 736 CD2 TYR A 46 3.013 6.837 -16.490 1.00 10.00 C ATOM 737 CE1 TYR A 46 4.271 7.204 -18.980 1.00 10.00 C ATOM 738 CE2 TYR A 46 2.625 6.050 -17.587 1.00 10.00 C ATOM 739 CZ TYR A 46 3.304 6.187 -18.820 1.00 10.00 C ATOM 740 OH TYR A 46 3.091 5.297 -19.826 1.00 10.00 O ATOM 0 H TYR A 46 6.621 8.894 -13.444 1.00 10.00 H new ATOM 0 HA TYR A 46 5.771 6.637 -15.178 1.00 10.00 H new ATOM 0 HB2 TYR A 46 3.921 8.353 -14.570 1.00 10.00 H new ATOM 0 HB3 TYR A 46 4.823 9.473 -15.571 1.00 10.00 H new ATOM 0 HD1 TYR A 46 5.364 8.794 -18.012 1.00 10.00 H new ATOM 0 HD2 TYR A 46 2.520 6.714 -15.537 1.00 10.00 H new ATOM 0 HE1 TYR A 46 4.732 7.363 -19.944 1.00 10.00 H new ATOM 0 HE2 TYR A 46 1.813 5.345 -17.489 1.00 10.00 H new ATOM 0 HH TYR A 46 3.902 5.218 -20.370 1.00 10.00 H new ATOM 750 N THR A 47 7.828 7.126 -16.452 1.00 10.00 N ATOM 751 CA THR A 47 9.007 7.320 -17.306 1.00 10.00 C ATOM 752 C THR A 47 8.836 6.474 -18.571 1.00 10.00 C ATOM 753 O THR A 47 9.313 5.345 -18.664 1.00 10.00 O ATOM 754 CB THR A 47 10.299 7.091 -16.494 1.00 10.00 C ATOM 755 OG1 THR A 47 11.420 7.343 -17.305 1.00 10.00 O ATOM 756 CG2 THR A 47 10.469 5.713 -15.842 1.00 10.00 C ATOM 0 H THR A 47 7.589 6.143 -16.320 1.00 10.00 H new ATOM 0 HA THR A 47 9.102 8.349 -17.654 1.00 10.00 H new ATOM 0 HB THR A 47 10.212 7.791 -15.663 1.00 10.00 H new ATOM 0 HG1 THR A 47 12.239 7.198 -16.786 1.00 10.00 H new ATOM 0 HG21 THR A 47 11.415 5.680 -15.302 1.00 10.00 H new ATOM 0 HG22 THR A 47 9.648 5.536 -15.147 1.00 10.00 H new ATOM 0 HG23 THR A 47 10.465 4.943 -16.613 1.00 10.00 H new ATOM 764 N ASP A 48 8.054 7.013 -19.522 1.00 10.00 N ATOM 765 CA ASP A 48 7.487 6.354 -20.723 1.00 10.00 C ATOM 766 C ASP A 48 6.511 5.196 -20.398 1.00 10.00 C ATOM 767 O ASP A 48 5.432 5.091 -20.987 1.00 10.00 O ATOM 768 CB ASP A 48 8.602 5.943 -21.700 1.00 10.00 C ATOM 769 CG ASP A 48 8.051 5.664 -23.100 1.00 10.00 C ATOM 770 OD1 ASP A 48 7.493 6.620 -23.686 1.00 10.00 O ATOM 771 OD2 ASP A 48 8.208 4.516 -23.569 1.00 10.00 O ATOM 0 H ASP A 48 7.778 7.994 -19.473 1.00 10.00 H new ATOM 0 HA ASP A 48 6.866 7.096 -21.224 1.00 10.00 H new ATOM 0 HB2 ASP A 48 9.349 6.735 -21.754 1.00 10.00 H new ATOM 0 HB3 ASP A 48 9.107 5.053 -21.323 1.00 10.00 H new ATOM 776 N GLU A 49 6.821 4.433 -19.349 1.00 10.00 N ATOM 777 CA GLU A 49 6.022 3.399 -18.704 1.00 10.00 C ATOM 778 C GLU A 49 5.784 3.768 -17.222 1.00 10.00 C ATOM 779 O GLU A 49 6.516 4.565 -16.624 1.00 10.00 O ATOM 780 CB GLU A 49 6.760 2.056 -18.870 1.00 10.00 C ATOM 781 CG GLU A 49 5.917 0.831 -18.489 1.00 10.00 C ATOM 782 CD GLU A 49 6.679 -0.470 -18.757 1.00 10.00 C ATOM 783 OE1 GLU A 49 7.594 -0.763 -17.950 1.00 10.00 O ATOM 784 OE2 GLU A 49 6.334 -1.165 -19.735 1.00 10.00 O ATOM 0 H GLU A 49 7.725 4.536 -18.888 1.00 10.00 H new ATOM 0 HA GLU A 49 5.038 3.312 -19.164 1.00 10.00 H new ATOM 0 HB2 GLU A 49 7.082 1.955 -19.907 1.00 10.00 H new ATOM 0 HB3 GLU A 49 7.661 2.070 -18.257 1.00 10.00 H new ATOM 0 HG2 GLU A 49 5.646 0.886 -17.435 1.00 10.00 H new ATOM 0 HG3 GLU A 49 4.987 0.835 -19.058 1.00 10.00 H new ATOM 791 N LEU A 50 4.755 3.164 -16.620 1.00 10.00 N ATOM 792 CA LEU A 50 4.319 3.398 -15.245 1.00 10.00 C ATOM 793 C LEU A 50 5.131 2.524 -14.278 1.00 10.00 C ATOM 794 O LEU A 50 5.244 1.311 -14.470 1.00 10.00 O ATOM 795 CB LEU A 50 2.821 3.041 -15.153 1.00 10.00 C ATOM 796 CG LEU A 50 2.194 3.149 -13.747 1.00 10.00 C ATOM 797 CD1 LEU A 50 2.186 4.582 -13.210 1.00 10.00 C ATOM 798 CD2 LEU A 50 0.749 2.646 -13.794 1.00 10.00 C ATOM 0 H LEU A 50 4.181 2.470 -17.100 1.00 10.00 H new ATOM 0 HA LEU A 50 4.475 4.442 -14.972 1.00 10.00 H new ATOM 0 HB2 LEU A 50 2.268 3.694 -15.829 1.00 10.00 H new ATOM 0 HB3 LEU A 50 2.686 2.021 -15.514 1.00 10.00 H new ATOM 0 HG LEU A 50 2.807 2.542 -13.080 1.00 10.00 H new ATOM 0 HD11 LEU A 50 1.734 4.596 -12.218 1.00 10.00 H new ATOM 0 HD12 LEU A 50 3.209 4.953 -13.147 1.00 10.00 H new ATOM 0 HD13 LEU A 50 1.610 5.219 -13.881 1.00 10.00 H new ATOM 0 HD21 LEU A 50 0.305 2.722 -12.801 1.00 10.00 H new ATOM 0 HD22 LEU A 50 0.175 3.252 -14.495 1.00 10.00 H new ATOM 0 HD23 LEU A 50 0.736 1.606 -14.119 1.00 10.00 H new ATOM 810 N LYS A 51 5.688 3.145 -13.232 1.00 10.00 N ATOM 811 CA LYS A 51 6.357 2.461 -12.122 1.00 10.00 C ATOM 812 C LYS A 51 5.588 2.734 -10.830 1.00 10.00 C ATOM 813 O LYS A 51 5.249 3.881 -10.545 1.00 10.00 O ATOM 814 CB LYS A 51 7.815 2.945 -11.998 1.00 10.00 C ATOM 815 CG LYS A 51 8.670 2.771 -13.265 1.00 10.00 C ATOM 816 CD LYS A 51 8.856 1.300 -13.678 1.00 10.00 C ATOM 817 CE LYS A 51 8.432 1.083 -15.134 1.00 10.00 C ATOM 818 NZ LYS A 51 8.404 -0.355 -15.473 1.00 10.00 N ATOM 0 H LYS A 51 5.686 4.160 -13.133 1.00 10.00 H new ATOM 0 HA LYS A 51 6.372 1.388 -12.311 1.00 10.00 H new ATOM 0 HB2 LYS A 51 7.809 4.000 -11.724 1.00 10.00 H new ATOM 0 HB3 LYS A 51 8.292 2.406 -11.180 1.00 10.00 H new ATOM 0 HG2 LYS A 51 8.204 3.315 -14.086 1.00 10.00 H new ATOM 0 HG3 LYS A 51 9.649 3.221 -13.099 1.00 10.00 H new ATOM 0 HD2 LYS A 51 9.900 1.012 -13.552 1.00 10.00 H new ATOM 0 HD3 LYS A 51 8.267 0.657 -13.024 1.00 10.00 H new ATOM 0 HE2 LYS A 51 7.446 1.517 -15.297 1.00 10.00 H new ATOM 0 HE3 LYS A 51 9.123 1.603 -15.798 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 8.400 -0.468 -16.507 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 9.245 -0.822 -15.077 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 7.547 -0.789 -15.074 1.00 10.00 H new ATOM 832 N VAL A 52 5.291 1.675 -10.074 1.00 10.00 N ATOM 833 CA VAL A 52 4.714 1.749 -8.728 1.00 10.00 C ATOM 834 C VAL A 52 5.442 0.753 -7.828 1.00 10.00 C ATOM 835 O VAL A 52 5.510 -0.441 -8.125 1.00 10.00 O ATOM 836 CB VAL A 52 3.182 1.579 -8.745 1.00 10.00 C ATOM 837 CG1 VAL A 52 2.704 0.245 -9.339 1.00 10.00 C ATOM 838 CG2 VAL A 52 2.594 1.764 -7.338 1.00 10.00 C ATOM 0 H VAL A 52 5.449 0.717 -10.388 1.00 10.00 H new ATOM 0 HA VAL A 52 4.865 2.745 -8.312 1.00 10.00 H new ATOM 0 HB VAL A 52 2.814 2.362 -9.408 1.00 10.00 H new ATOM 0 HG11 VAL A 52 1.615 0.205 -9.314 1.00 10.00 H new ATOM 0 HG12 VAL A 52 3.047 0.162 -10.370 1.00 10.00 H new ATOM 0 HG13 VAL A 52 3.111 -0.580 -8.755 1.00 10.00 H new ATOM 0 HG21 VAL A 52 1.512 1.639 -7.377 1.00 10.00 H new ATOM 0 HG22 VAL A 52 3.021 1.021 -6.665 1.00 10.00 H new ATOM 0 HG23 VAL A 52 2.831 2.763 -6.973 1.00 10.00 H new ATOM 848 N ASP A 53 5.980 1.255 -6.720 1.00 10.00 N ATOM 849 CA ASP A 53 6.918 0.543 -5.864 1.00 10.00 C ATOM 850 C ASP A 53 6.521 0.731 -4.398 1.00 10.00 C ATOM 851 O ASP A 53 6.200 1.837 -3.958 1.00 10.00 O ATOM 852 CB ASP A 53 8.334 1.063 -6.153 1.00 10.00 C ATOM 853 CG ASP A 53 8.779 0.716 -7.579 1.00 10.00 C ATOM 854 OD1 ASP A 53 9.327 -0.396 -7.743 1.00 10.00 O ATOM 855 OD2 ASP A 53 8.556 1.550 -8.488 1.00 10.00 O ATOM 0 H ASP A 53 5.768 2.195 -6.385 1.00 10.00 H new ATOM 0 HA ASP A 53 6.897 -0.527 -6.069 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.361 2.144 -6.015 1.00 10.00 H new ATOM 0 HB3 ASP A 53 9.034 0.632 -5.437 1.00 10.00 H new ATOM 860 N ILE A 54 6.512 -0.375 -3.649 1.00 10.00 N ATOM 861 CA ILE A 54 5.952 -0.444 -2.301 1.00 10.00 C ATOM 862 C ILE A 54 6.960 -1.133 -1.383 1.00 10.00 C ATOM 863 O ILE A 54 7.462 -2.215 -1.684 1.00 10.00 O ATOM 864 CB ILE A 54 4.600 -1.202 -2.332 1.00 10.00 C ATOM 865 CG1 ILE A 54 3.595 -0.534 -3.304 1.00 10.00 C ATOM 866 CG2 ILE A 54 4.006 -1.301 -0.918 1.00 10.00 C ATOM 867 CD1 ILE A 54 2.191 -1.153 -3.314 1.00 10.00 C ATOM 0 H ILE A 54 6.901 -1.262 -3.970 1.00 10.00 H new ATOM 0 HA ILE A 54 5.760 0.558 -1.918 1.00 10.00 H new ATOM 0 HB ILE A 54 4.792 -2.210 -2.700 1.00 10.00 H new ATOM 0 HG12 ILE A 54 3.508 0.521 -3.044 1.00 10.00 H new ATOM 0 HG13 ILE A 54 4.003 -0.581 -4.314 1.00 10.00 H new ATOM 0 HG21 ILE A 54 3.057 -1.836 -0.959 1.00 10.00 H new ATOM 0 HG22 ILE A 54 4.698 -1.838 -0.269 1.00 10.00 H new ATOM 0 HG23 ILE A 54 3.841 -0.299 -0.522 1.00 10.00 H new ATOM 0 HD11 ILE A 54 1.562 -0.617 -4.025 1.00 10.00 H new ATOM 0 HD12 ILE A 54 2.257 -2.201 -3.607 1.00 10.00 H new ATOM 0 HD13 ILE A 54 1.755 -1.082 -2.318 1.00 10.00 H new ATOM 879 N SER A 55 7.296 -0.495 -0.264 1.00 10.00 N ATOM 880 CA SER A 55 8.046 -1.114 0.830 1.00 10.00 C ATOM 881 C SER A 55 7.358 -0.822 2.159 1.00 10.00 C ATOM 882 O SER A 55 6.988 0.322 2.417 1.00 10.00 O ATOM 883 CB SER A 55 9.496 -0.638 0.796 1.00 10.00 C ATOM 884 OG SER A 55 10.093 -1.158 -0.375 1.00 10.00 O ATOM 0 H SER A 55 7.052 0.480 -0.088 1.00 10.00 H new ATOM 0 HA SER A 55 8.062 -2.197 0.711 1.00 10.00 H new ATOM 0 HB2 SER A 55 9.541 0.451 0.797 1.00 10.00 H new ATOM 0 HB3 SER A 55 10.031 -0.980 1.682 1.00 10.00 H new ATOM 0 HG SER A 55 11.027 -0.866 -0.423 1.00 10.00 H new ATOM 890 N ALA A 56 7.181 -1.844 2.998 1.00 10.00 N ATOM 891 CA ALA A 56 6.600 -1.706 4.329 1.00 10.00 C ATOM 892 C ALA A 56 7.470 -2.417 5.371 1.00 10.00 C ATOM 893 O ALA A 56 7.970 -3.514 5.124 1.00 10.00 O ATOM 894 CB ALA A 56 5.165 -2.248 4.306 1.00 10.00 C ATOM 0 H ALA A 56 7.442 -2.803 2.766 1.00 10.00 H new ATOM 0 HA ALA A 56 6.565 -0.655 4.614 1.00 10.00 H new ATOM 0 HB1 ALA A 56 4.723 -2.149 5.297 1.00 10.00 H new ATOM 0 HB2 ALA A 56 4.574 -1.682 3.586 1.00 10.00 H new ATOM 0 HB3 ALA A 56 5.178 -3.299 4.018 1.00 10.00 H new ATOM 900 N GLU A 57 7.584 -1.812 6.550 1.00 10.00 N ATOM 901 CA GLU A 57 8.229 -2.366 7.733 1.00 10.00 C ATOM 902 C GLU A 57 7.306 -2.193 8.944 1.00 10.00 C ATOM 903 O GLU A 57 6.624 -1.177 9.105 1.00 10.00 O ATOM 904 CB GLU A 57 9.594 -1.700 7.974 1.00 10.00 C ATOM 905 CG GLU A 57 10.694 -2.337 7.112 1.00 10.00 C ATOM 906 CD GLU A 57 12.068 -1.689 7.328 1.00 10.00 C ATOM 907 OE1 GLU A 57 12.446 -1.495 8.511 1.00 10.00 O ATOM 908 OE2 GLU A 57 12.741 -1.403 6.314 1.00 10.00 O ATOM 0 H GLU A 57 7.210 -0.877 6.712 1.00 10.00 H new ATOM 0 HA GLU A 57 8.410 -3.430 7.578 1.00 10.00 H new ATOM 0 HB2 GLU A 57 9.525 -0.636 7.749 1.00 10.00 H new ATOM 0 HB3 GLU A 57 9.861 -1.786 9.027 1.00 10.00 H new ATOM 0 HG2 GLU A 57 10.759 -3.401 7.341 1.00 10.00 H new ATOM 0 HG3 GLU A 57 10.419 -2.254 6.060 1.00 10.00 H new ATOM 915 N LEU A 58 7.276 -3.239 9.772 1.00 10.00 N ATOM 916 CA LEU A 58 6.360 -3.430 10.888 1.00 10.00 C ATOM 917 C LEU A 58 7.189 -3.747 12.130 1.00 10.00 C ATOM 918 O LEU A 58 7.856 -4.782 12.172 1.00 10.00 O ATOM 919 CB LEU A 58 5.407 -4.574 10.496 1.00 10.00 C ATOM 920 CG LEU A 58 4.408 -5.027 11.573 1.00 10.00 C ATOM 921 CD1 LEU A 58 3.402 -3.932 11.919 1.00 10.00 C ATOM 922 CD2 LEU A 58 3.644 -6.251 11.065 1.00 10.00 C ATOM 0 H LEU A 58 7.929 -4.017 9.672 1.00 10.00 H new ATOM 0 HA LEU A 58 5.763 -2.546 11.112 1.00 10.00 H new ATOM 0 HB2 LEU A 58 4.844 -4.264 9.616 1.00 10.00 H new ATOM 0 HB3 LEU A 58 6.008 -5.435 10.203 1.00 10.00 H new ATOM 0 HG LEU A 58 4.976 -5.263 12.473 1.00 10.00 H new ATOM 0 HD11 LEU A 58 2.716 -4.296 12.684 1.00 10.00 H new ATOM 0 HD12 LEU A 58 3.932 -3.056 12.294 1.00 10.00 H new ATOM 0 HD13 LEU A 58 2.839 -3.660 11.026 1.00 10.00 H new ATOM 0 HD21 LEU A 58 2.934 -6.577 11.824 1.00 10.00 H new ATOM 0 HD22 LEU A 58 3.107 -5.992 10.153 1.00 10.00 H new ATOM 0 HD23 LEU A 58 4.347 -7.057 10.855 1.00 10.00 H new ATOM 934 N TYR A 59 7.160 -2.865 13.131 1.00 10.00 N ATOM 935 CA TYR A 59 8.028 -2.975 14.297 1.00 10.00 C ATOM 936 C TYR A 59 7.207 -3.412 15.509 1.00 10.00 C ATOM 937 O TYR A 59 6.382 -2.656 16.021 1.00 10.00 O ATOM 938 CB TYR A 59 8.789 -1.656 14.508 1.00 10.00 C ATOM 939 CG TYR A 59 9.624 -1.178 13.322 1.00 10.00 C ATOM 940 CD1 TYR A 59 10.336 -2.088 12.505 1.00 10.00 C ATOM 941 CD2 TYR A 59 9.701 0.201 13.042 1.00 10.00 C ATOM 942 CE1 TYR A 59 11.104 -1.623 11.420 1.00 10.00 C ATOM 943 CE2 TYR A 59 10.485 0.668 11.971 1.00 10.00 C ATOM 944 CZ TYR A 59 11.179 -0.240 11.147 1.00 10.00 C ATOM 945 OH TYR A 59 11.900 0.221 10.090 1.00 10.00 O ATOM 0 H TYR A 59 6.536 -2.059 13.153 1.00 10.00 H new ATOM 0 HA TYR A 59 8.785 -3.744 14.142 1.00 10.00 H new ATOM 0 HB2 TYR A 59 8.068 -0.878 14.759 1.00 10.00 H new ATOM 0 HB3 TYR A 59 9.447 -1.771 15.370 1.00 10.00 H new ATOM 0 HD1 TYR A 59 10.290 -3.146 12.715 1.00 10.00 H new ATOM 0 HD2 TYR A 59 9.155 0.904 13.653 1.00 10.00 H new ATOM 0 HE1 TYR A 59 11.636 -2.325 10.796 1.00 10.00 H new ATOM 0 HE2 TYR A 59 10.555 1.729 11.779 1.00 10.00 H new ATOM 0 HH TYR A 59 12.372 -0.526 9.665 1.00 10.00 H new ATOM 955 N LEU A 60 7.449 -4.654 15.939 1.00 10.00 N ATOM 956 CA LEU A 60 6.857 -5.303 17.110 1.00 10.00 C ATOM 957 C LEU A 60 7.594 -4.900 18.390 1.00 10.00 C ATOM 958 O LEU A 60 8.781 -4.577 18.364 1.00 10.00 O ATOM 959 CB LEU A 60 6.947 -6.844 16.967 1.00 10.00 C ATOM 960 CG LEU A 60 5.898 -7.554 16.087 1.00 10.00 C ATOM 961 CD1 LEU A 60 4.573 -7.659 16.849 1.00 10.00 C ATOM 962 CD2 LEU A 60 5.672 -6.900 14.722 1.00 10.00 C ATOM 0 H LEU A 60 8.101 -5.268 15.450 1.00 10.00 H new ATOM 0 HA LEU A 60 5.816 -4.986 17.172 1.00 10.00 H new ATOM 0 HB2 LEU A 60 7.933 -7.085 16.570 1.00 10.00 H new ATOM 0 HB3 LEU A 60 6.891 -7.276 17.966 1.00 10.00 H new ATOM 0 HG LEU A 60 6.300 -8.545 15.874 1.00 10.00 H new ATOM 0 HD11 LEU A 60 3.833 -8.161 16.225 1.00 10.00 H new ATOM 0 HD12 LEU A 60 4.724 -8.231 17.764 1.00 10.00 H new ATOM 0 HD13 LEU A 60 4.218 -6.660 17.100 1.00 10.00 H new ATOM 0 HD21 LEU A 60 4.920 -7.463 14.169 1.00 10.00 H new ATOM 0 HD22 LEU A 60 5.328 -5.875 14.862 1.00 10.00 H new ATOM 0 HD23 LEU A 60 6.607 -6.896 14.161 1.00 10.00 H new ATOM 974 N ASP A 61 6.870 -4.919 19.510 1.00 10.00 N ATOM 975 CA ASP A 61 7.478 -4.832 20.837 1.00 10.00 C ATOM 976 C ASP A 61 8.420 -6.025 21.070 1.00 10.00 C ATOM 977 O ASP A 61 8.153 -7.130 20.591 1.00 10.00 O ATOM 978 CB ASP A 61 6.401 -4.738 21.927 1.00 10.00 C ATOM 979 CG ASP A 61 7.007 -4.529 23.322 1.00 10.00 C ATOM 980 OD1 ASP A 61 8.103 -3.923 23.394 1.00 10.00 O ATOM 981 OD2 ASP A 61 6.378 -4.994 24.297 1.00 10.00 O ATOM 0 H ASP A 61 5.853 -4.995 19.523 1.00 10.00 H new ATOM 0 HA ASP A 61 8.073 -3.920 20.891 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.726 -3.913 21.698 1.00 10.00 H new ATOM 0 HB3 ASP A 61 5.803 -5.649 21.925 1.00 10.00 H new ATOM 986 N GLU A 62 9.500 -5.814 21.834 1.00 10.00 N ATOM 987 CA GLU A 62 10.518 -6.807 22.248 1.00 10.00 C ATOM 988 C GLU A 62 9.946 -7.920 23.171 1.00 10.00 C ATOM 989 O GLU A 62 10.629 -8.463 24.040 1.00 10.00 O ATOM 990 CB GLU A 62 11.682 -6.051 22.931 1.00 10.00 C ATOM 991 CG GLU A 62 12.507 -5.159 21.987 1.00 10.00 C ATOM 992 CD GLU A 62 13.579 -5.954 21.227 1.00 10.00 C ATOM 993 OE1 GLU A 62 13.193 -6.841 20.434 1.00 10.00 O ATOM 994 OE2 GLU A 62 14.777 -5.670 21.456 1.00 10.00 O ATOM 0 H GLU A 62 9.705 -4.887 22.207 1.00 10.00 H new ATOM 0 HA GLU A 62 10.874 -7.328 21.359 1.00 10.00 H new ATOM 0 HB2 GLU A 62 11.276 -5.433 23.732 1.00 10.00 H new ATOM 0 HB3 GLU A 62 12.347 -6.779 23.396 1.00 10.00 H new ATOM 0 HG2 GLU A 62 11.841 -4.675 21.272 1.00 10.00 H new ATOM 0 HG3 GLU A 62 12.985 -4.367 22.564 1.00 10.00 H new ATOM 1001 N LEU A 63 8.657 -8.228 23.000 1.00 10.00 N ATOM 1002 CA LEU A 63 7.819 -9.107 23.802 1.00 10.00 C ATOM 1003 C LEU A 63 6.691 -9.775 22.973 1.00 10.00 C ATOM 1004 O LEU A 63 5.887 -10.507 23.549 1.00 10.00 O ATOM 1005 CB LEU A 63 7.246 -8.259 24.959 1.00 10.00 C ATOM 1006 CG LEU A 63 6.966 -9.036 26.258 1.00 10.00 C ATOM 1007 CD1 LEU A 63 8.261 -9.483 26.950 1.00 10.00 C ATOM 1008 CD2 LEU A 63 6.198 -8.138 27.233 1.00 10.00 C ATOM 0 H LEU A 63 8.131 -7.828 22.223 1.00 10.00 H new ATOM 0 HA LEU A 63 8.417 -9.933 24.187 1.00 10.00 H new ATOM 0 HB2 LEU A 63 7.945 -7.452 25.179 1.00 10.00 H new ATOM 0 HB3 LEU A 63 6.319 -7.794 24.624 1.00 10.00 H new ATOM 0 HG LEU A 63 6.387 -9.919 25.989 1.00 10.00 H new ATOM 0 HD11 LEU A 63 8.017 -10.027 27.862 1.00 10.00 H new ATOM 0 HD12 LEU A 63 8.826 -10.131 26.281 1.00 10.00 H new ATOM 0 HD13 LEU A 63 8.861 -8.608 27.199 1.00 10.00 H new ATOM 0 HD21 LEU A 63 5.999 -8.687 28.153 1.00 10.00 H new ATOM 0 HD22 LEU A 63 6.794 -7.254 27.459 1.00 10.00 H new ATOM 0 HD23 LEU A 63 5.254 -7.834 26.781 1.00 10.00 H new ATOM 1020 N SER A 64 6.615 -9.551 21.647 1.00 10.00 N ATOM 1021 CA SER A 64 5.695 -10.263 20.743 1.00 10.00 C ATOM 1022 C SER A 64 6.344 -10.575 19.383 1.00 10.00 C ATOM 1023 O SER A 64 7.363 -9.998 19.012 1.00 10.00 O ATOM 1024 CB SER A 64 4.373 -9.494 20.558 1.00 10.00 C ATOM 1025 OG SER A 64 3.459 -10.362 19.898 1.00 10.00 O ATOM 0 H SER A 64 7.197 -8.863 21.170 1.00 10.00 H new ATOM 0 HA SER A 64 5.465 -11.216 21.220 1.00 10.00 H new ATOM 0 HB2 SER A 64 3.974 -9.180 21.523 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.535 -8.590 19.971 1.00 10.00 H new ATOM 0 HG SER A 64 2.720 -9.837 19.525 1.00 10.00 H new ATOM 1031 N ASP A 65 5.718 -11.485 18.630 1.00 10.00 N ATOM 1032 CA ASP A 65 6.217 -12.109 17.409 1.00 10.00 C ATOM 1033 C ASP A 65 5.037 -12.355 16.454 1.00 10.00 C ATOM 1034 O ASP A 65 4.333 -13.361 16.549 1.00 10.00 O ATOM 1035 CB ASP A 65 6.922 -13.439 17.737 1.00 10.00 C ATOM 1036 CG ASP A 65 8.270 -13.261 18.438 1.00 10.00 C ATOM 1037 OD1 ASP A 65 9.249 -12.975 17.713 1.00 10.00 O ATOM 1038 OD2 ASP A 65 8.315 -13.470 19.671 1.00 10.00 O ATOM 0 H ASP A 65 4.789 -11.825 18.877 1.00 10.00 H new ATOM 0 HA ASP A 65 6.941 -11.447 16.933 1.00 10.00 H new ATOM 0 HB2 ASP A 65 6.269 -14.040 18.370 1.00 10.00 H new ATOM 0 HB3 ASP A 65 7.073 -13.998 16.813 1.00 10.00 H new ATOM 1043 N ALA A 66 4.812 -11.410 15.538 1.00 10.00 N ATOM 1044 CA ALA A 66 3.883 -11.576 14.416 1.00 10.00 C ATOM 1045 C ALA A 66 4.367 -12.643 13.408 1.00 10.00 C ATOM 1046 O ALA A 66 5.498 -13.128 13.479 1.00 10.00 O ATOM 1047 CB ALA A 66 3.684 -10.214 13.740 1.00 10.00 C ATOM 0 H ALA A 66 5.273 -10.500 15.554 1.00 10.00 H new ATOM 0 HA ALA A 66 2.929 -11.939 14.799 1.00 10.00 H new ATOM 0 HB1 ALA A 66 2.995 -10.321 12.902 1.00 10.00 H new ATOM 0 HB2 ALA A 66 3.273 -9.507 14.460 1.00 10.00 H new ATOM 0 HB3 ALA A 66 4.643 -9.845 13.376 1.00 10.00 H new ATOM 1053 N ASP A 67 3.547 -12.956 12.398 1.00 10.00 N ATOM 1054 CA ASP A 67 3.794 -14.114 11.537 1.00 10.00 C ATOM 1055 C ASP A 67 4.760 -13.779 10.378 1.00 10.00 C ATOM 1056 O ASP A 67 4.690 -12.681 9.810 1.00 10.00 O ATOM 1057 CB ASP A 67 2.454 -14.583 10.945 1.00 10.00 C ATOM 1058 CG ASP A 67 1.417 -14.890 12.027 1.00 10.00 C ATOM 1059 OD1 ASP A 67 0.864 -13.907 12.571 1.00 10.00 O ATOM 1060 OD2 ASP A 67 1.206 -16.093 12.294 1.00 10.00 O ATOM 0 H ASP A 67 2.710 -12.424 12.159 1.00 10.00 H new ATOM 0 HA ASP A 67 4.254 -14.894 12.144 1.00 10.00 H new ATOM 0 HB2 ASP A 67 2.064 -13.813 10.279 1.00 10.00 H new ATOM 0 HB3 ASP A 67 2.619 -15.474 10.340 1.00 10.00 H new ATOM 1065 N PRO A 68 5.657 -14.722 9.997 1.00 10.00 N ATOM 1066 CA PRO A 68 6.777 -14.519 9.064 1.00 10.00 C ATOM 1067 C PRO A 68 6.330 -14.406 7.590 1.00 10.00 C ATOM 1068 O PRO A 68 6.717 -15.191 6.727 1.00 10.00 O ATOM 1069 CB PRO A 68 7.739 -15.684 9.338 1.00 10.00 C ATOM 1070 CG PRO A 68 6.798 -16.812 9.746 1.00 10.00 C ATOM 1071 CD PRO A 68 5.740 -16.068 10.557 1.00 10.00 C ATOM 0 HA PRO A 68 7.270 -13.561 9.229 1.00 10.00 H new ATOM 0 HB2 PRO A 68 8.322 -15.943 8.454 1.00 10.00 H new ATOM 0 HB3 PRO A 68 8.449 -15.444 10.129 1.00 10.00 H new ATOM 0 HG2 PRO A 68 6.368 -17.317 8.881 1.00 10.00 H new ATOM 0 HG3 PRO A 68 7.306 -17.572 10.339 1.00 10.00 H new ATOM 0 HD2 PRO A 68 4.777 -16.574 10.494 1.00 10.00 H new ATOM 0 HD3 PRO A 68 6.014 -16.033 11.612 1.00 10.00 H new ATOM 1079 N GLY A 69 5.477 -13.418 7.327 1.00 10.00 N ATOM 1080 CA GLY A 69 4.871 -13.110 6.030 1.00 10.00 C ATOM 1081 C GLY A 69 3.785 -12.025 6.086 1.00 10.00 C ATOM 1082 O GLY A 69 3.394 -11.512 5.042 1.00 10.00 O ATOM 0 H GLY A 69 5.171 -12.772 8.055 1.00 10.00 H new ATOM 0 HA2 GLY A 69 5.654 -12.790 5.342 1.00 10.00 H new ATOM 0 HA3 GLY A 69 4.438 -14.021 5.618 1.00 10.00 H new ATOM 1086 N ILE A 70 3.320 -11.636 7.284 1.00 10.00 N ATOM 1087 CA ILE A 70 2.192 -10.721 7.511 1.00 10.00 C ATOM 1088 C ILE A 70 2.321 -9.350 6.812 1.00 10.00 C ATOM 1089 O ILE A 70 1.321 -8.731 6.452 1.00 10.00 O ATOM 1090 CB ILE A 70 2.010 -10.612 9.046 1.00 10.00 C ATOM 1091 CG1 ILE A 70 0.529 -10.498 9.422 1.00 10.00 C ATOM 1092 CG2 ILE A 70 2.853 -9.495 9.692 1.00 10.00 C ATOM 1093 CD1 ILE A 70 0.308 -10.758 10.917 1.00 10.00 C ATOM 0 H ILE A 70 3.737 -11.964 8.155 1.00 10.00 H new ATOM 0 HA ILE A 70 1.297 -11.131 7.043 1.00 10.00 H new ATOM 0 HB ILE A 70 2.396 -11.543 9.462 1.00 10.00 H new ATOM 0 HG12 ILE A 70 0.163 -9.504 9.166 1.00 10.00 H new ATOM 0 HG13 ILE A 70 -0.052 -11.211 8.838 1.00 10.00 H new ATOM 0 HG21 ILE A 70 2.674 -9.479 10.767 1.00 10.00 H new ATOM 0 HG22 ILE A 70 3.910 -9.682 9.503 1.00 10.00 H new ATOM 0 HG23 ILE A 70 2.572 -8.533 9.263 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -0.753 -10.669 11.149 1.00 10.00 H new ATOM 0 HD12 ILE A 70 0.651 -11.762 11.166 1.00 10.00 H new ATOM 0 HD13 ILE A 70 0.869 -10.028 11.500 1.00 10.00 H new ATOM 1105 N VAL A 71 3.561 -8.894 6.604 1.00 10.00 N ATOM 1106 CA VAL A 71 3.922 -7.660 5.893 1.00 10.00 C ATOM 1107 C VAL A 71 3.881 -7.860 4.378 1.00 10.00 C ATOM 1108 O VAL A 71 3.277 -7.061 3.669 1.00 10.00 O ATOM 1109 CB VAL A 71 5.350 -7.257 6.294 1.00 10.00 C ATOM 1110 CG1 VAL A 71 5.896 -6.086 5.474 1.00 10.00 C ATOM 1111 CG2 VAL A 71 5.433 -6.896 7.780 1.00 10.00 C ATOM 0 H VAL A 71 4.380 -9.399 6.943 1.00 10.00 H new ATOM 0 HA VAL A 71 3.204 -6.885 6.162 1.00 10.00 H new ATOM 0 HB VAL A 71 5.965 -8.133 6.088 1.00 10.00 H new ATOM 0 HG11 VAL A 71 6.907 -5.850 5.805 1.00 10.00 H new ATOM 0 HG12 VAL A 71 5.914 -6.358 4.419 1.00 10.00 H new ATOM 0 HG13 VAL A 71 5.256 -5.215 5.613 1.00 10.00 H new ATOM 0 HG21 VAL A 71 6.456 -6.616 8.030 1.00 10.00 H new ATOM 0 HG22 VAL A 71 4.766 -6.059 7.989 1.00 10.00 H new ATOM 0 HG23 VAL A 71 5.135 -7.756 8.380 1.00 10.00 H new ATOM 1121 N ASP A 72 4.519 -8.925 3.888 1.00 10.00 N ATOM 1122 CA ASP A 72 4.498 -9.331 2.480 1.00 10.00 C ATOM 1123 C ASP A 72 3.060 -9.559 1.987 1.00 10.00 C ATOM 1124 O ASP A 72 2.703 -9.092 0.905 1.00 10.00 O ATOM 1125 CB ASP A 72 5.371 -10.584 2.314 1.00 10.00 C ATOM 1126 CG ASP A 72 5.641 -10.907 0.844 1.00 10.00 C ATOM 1127 OD1 ASP A 72 6.257 -10.044 0.181 1.00 10.00 O ATOM 1128 OD2 ASP A 72 5.260 -12.019 0.419 1.00 10.00 O ATOM 0 H ASP A 72 5.079 -9.545 4.474 1.00 10.00 H new ATOM 0 HA ASP A 72 4.908 -8.533 1.862 1.00 10.00 H new ATOM 0 HB2 ASP A 72 6.319 -10.436 2.832 1.00 10.00 H new ATOM 0 HB3 ASP A 72 4.878 -11.434 2.787 1.00 10.00 H new ATOM 1133 N GLU A 73 2.198 -10.130 2.844 1.00 10.00 N ATOM 1134 CA GLU A 73 0.762 -10.211 2.577 1.00 10.00 C ATOM 1135 C GLU A 73 0.123 -8.817 2.505 1.00 10.00 C ATOM 1136 O GLU A 73 -0.721 -8.597 1.641 1.00 10.00 O ATOM 1137 CB GLU A 73 0.016 -10.963 3.690 1.00 10.00 C ATOM 1138 CG GLU A 73 0.175 -12.483 3.783 1.00 10.00 C ATOM 1139 CD GLU A 73 -0.894 -13.102 4.711 1.00 10.00 C ATOM 1140 OE1 GLU A 73 -1.464 -12.373 5.561 1.00 10.00 O ATOM 1141 OE2 GLU A 73 -1.156 -14.314 4.547 1.00 10.00 O ATOM 0 H GLU A 73 2.479 -10.544 3.733 1.00 10.00 H new ATOM 0 HA GLU A 73 0.674 -10.735 1.626 1.00 10.00 H new ATOM 0 HB2 GLU A 73 0.330 -10.539 4.644 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -1.047 -10.748 3.580 1.00 10.00 H new ATOM 0 HG2 GLU A 73 0.094 -12.921 2.788 1.00 10.00 H new ATOM 0 HG3 GLU A 73 1.170 -12.725 4.158 1.00 10.00 H new ATOM 1148 N ALA A 74 0.512 -7.863 3.367 1.00 10.00 N ATOM 1149 CA ALA A 74 -0.057 -6.512 3.326 1.00 10.00 C ATOM 1150 C ALA A 74 0.341 -5.768 2.044 1.00 10.00 C ATOM 1151 O ALA A 74 -0.479 -5.093 1.420 1.00 10.00 O ATOM 1152 CB ALA A 74 0.389 -5.731 4.567 1.00 10.00 C ATOM 0 H ALA A 74 1.213 -8.004 4.094 1.00 10.00 H new ATOM 0 HA ALA A 74 -1.144 -6.597 3.323 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.034 -4.727 4.536 1.00 10.00 H new ATOM 0 HB2 ALA A 74 0.042 -6.244 5.464 1.00 10.00 H new ATOM 0 HB3 ALA A 74 1.477 -5.666 4.584 1.00 10.00 H new ATOM 1158 N VAL A 75 1.605 -5.925 1.647 1.00 10.00 N ATOM 1159 CA VAL A 75 2.187 -5.347 0.436 1.00 10.00 C ATOM 1160 C VAL A 75 1.535 -5.947 -0.818 1.00 10.00 C ATOM 1161 O VAL A 75 1.011 -5.193 -1.637 1.00 10.00 O ATOM 1162 CB VAL A 75 3.717 -5.520 0.510 1.00 10.00 C ATOM 1163 CG1 VAL A 75 4.421 -5.226 -0.813 1.00 10.00 C ATOM 1164 CG2 VAL A 75 4.289 -4.574 1.580 1.00 10.00 C ATOM 0 H VAL A 75 2.276 -6.479 2.180 1.00 10.00 H new ATOM 0 HA VAL A 75 1.985 -4.278 0.365 1.00 10.00 H new ATOM 0 HB VAL A 75 3.899 -6.566 0.759 1.00 10.00 H new ATOM 0 HG11 VAL A 75 5.495 -5.366 -0.693 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.050 -5.905 -1.581 1.00 10.00 H new ATOM 0 HG13 VAL A 75 4.221 -4.197 -1.111 1.00 10.00 H new ATOM 0 HG21 VAL A 75 5.371 -4.696 1.633 1.00 10.00 H new ATOM 0 HG22 VAL A 75 4.052 -3.543 1.318 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.849 -4.812 2.549 1.00 10.00 H new ATOM 1174 N ASP A 76 1.450 -7.279 -0.937 1.00 10.00 N ATOM 1175 CA ASP A 76 0.685 -7.956 -1.992 1.00 10.00 C ATOM 1176 C ASP A 76 -0.799 -7.566 -1.967 1.00 10.00 C ATOM 1177 O ASP A 76 -1.375 -7.327 -3.024 1.00 10.00 O ATOM 1178 CB ASP A 76 0.827 -9.481 -1.871 1.00 10.00 C ATOM 1179 CG ASP A 76 0.056 -10.201 -2.988 1.00 10.00 C ATOM 1180 OD1 ASP A 76 0.456 -10.036 -4.162 1.00 10.00 O ATOM 1181 OD2 ASP A 76 -0.945 -10.880 -2.667 1.00 10.00 O ATOM 0 H ASP A 76 1.915 -7.923 -0.297 1.00 10.00 H new ATOM 0 HA ASP A 76 1.100 -7.631 -2.946 1.00 10.00 H new ATOM 0 HB2 ASP A 76 1.881 -9.756 -1.918 1.00 10.00 H new ATOM 0 HB3 ASP A 76 0.455 -9.808 -0.900 1.00 10.00 H new ATOM 1186 N ALA A 77 -1.420 -7.413 -0.792 1.00 10.00 N ATOM 1187 CA ALA A 77 -2.813 -6.976 -0.701 1.00 10.00 C ATOM 1188 C ALA A 77 -2.993 -5.560 -1.262 1.00 10.00 C ATOM 1189 O ALA A 77 -3.984 -5.310 -1.951 1.00 10.00 O ATOM 1190 CB ALA A 77 -3.310 -7.075 0.741 1.00 10.00 C ATOM 0 H ALA A 77 -0.976 -7.586 0.110 1.00 10.00 H new ATOM 0 HA ALA A 77 -3.420 -7.642 -1.314 1.00 10.00 H new ATOM 0 HB1 ALA A 77 -4.348 -6.746 0.791 1.00 10.00 H new ATOM 0 HB2 ALA A 77 -3.240 -8.109 1.080 1.00 10.00 H new ATOM 0 HB3 ALA A 77 -2.697 -6.441 1.381 1.00 10.00 H new ATOM 1196 N ALA A 78 -2.035 -4.652 -1.033 1.00 10.00 N ATOM 1197 CA ALA A 78 -2.005 -3.352 -1.698 1.00 10.00 C ATOM 1198 C ALA A 78 -1.788 -3.482 -3.215 1.00 10.00 C ATOM 1199 O ALA A 78 -2.513 -2.844 -3.977 1.00 10.00 O ATOM 1200 CB ALA A 78 -0.955 -2.460 -1.031 1.00 10.00 C ATOM 0 H ALA A 78 -1.263 -4.802 -0.383 1.00 10.00 H new ATOM 0 HA ALA A 78 -2.980 -2.878 -1.583 1.00 10.00 H new ATOM 0 HB1 ALA A 78 -0.933 -1.490 -1.528 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -1.208 -2.324 0.020 1.00 10.00 H new ATOM 0 HB3 ALA A 78 0.025 -2.930 -1.110 1.00 10.00 H new ATOM 1206 N TYR A 79 -0.868 -4.343 -3.673 1.00 10.00 N ATOM 1207 CA TYR A 79 -0.651 -4.579 -5.107 1.00 10.00 C ATOM 1208 C TYR A 79 -1.880 -5.172 -5.816 1.00 10.00 C ATOM 1209 O TYR A 79 -2.259 -4.688 -6.883 1.00 10.00 O ATOM 1210 CB TYR A 79 0.543 -5.525 -5.301 1.00 10.00 C ATOM 1211 CG TYR A 79 1.904 -4.869 -5.207 1.00 10.00 C ATOM 1212 CD1 TYR A 79 2.266 -3.947 -6.210 1.00 10.00 C ATOM 1213 CD2 TYR A 79 2.821 -5.216 -4.188 1.00 10.00 C ATOM 1214 CE1 TYR A 79 3.539 -3.354 -6.212 1.00 10.00 C ATOM 1215 CE2 TYR A 79 4.108 -4.628 -4.203 1.00 10.00 C ATOM 1216 CZ TYR A 79 4.466 -3.698 -5.207 1.00 10.00 C ATOM 1217 OH TYR A 79 5.705 -3.132 -5.227 1.00 10.00 O ATOM 0 H TYR A 79 -0.258 -4.891 -3.066 1.00 10.00 H new ATOM 0 HA TYR A 79 -0.455 -3.606 -5.557 1.00 10.00 H new ATOM 0 HB2 TYR A 79 0.486 -6.316 -4.553 1.00 10.00 H new ATOM 0 HB3 TYR A 79 0.454 -6.002 -6.277 1.00 10.00 H new ATOM 0 HD1 TYR A 79 1.557 -3.694 -6.985 1.00 10.00 H new ATOM 0 HD2 TYR A 79 2.544 -5.916 -3.413 1.00 10.00 H new ATOM 0 HE1 TYR A 79 3.806 -2.640 -6.977 1.00 10.00 H new ATOM 0 HE2 TYR A 79 4.825 -4.892 -3.440 1.00 10.00 H new ATOM 0 HH TYR A 79 6.230 -3.467 -4.470 1.00 10.00 H new ATOM 1227 N ARG A 80 -2.555 -6.156 -5.209 1.00 10.00 N ATOM 1228 CA ARG A 80 -3.773 -6.768 -5.759 1.00 10.00 C ATOM 1229 C ARG A 80 -4.960 -5.802 -5.664 1.00 10.00 C ATOM 1230 O ARG A 80 -5.768 -5.732 -6.586 1.00 10.00 O ATOM 1231 CB ARG A 80 -4.069 -8.109 -5.063 1.00 10.00 C ATOM 1232 CG ARG A 80 -2.899 -9.117 -5.133 1.00 10.00 C ATOM 1233 CD ARG A 80 -3.224 -10.447 -5.819 1.00 10.00 C ATOM 1234 NE ARG A 80 -3.277 -10.344 -7.295 1.00 10.00 N ATOM 1235 CZ ARG A 80 -3.247 -11.354 -8.152 1.00 10.00 C ATOM 1236 NH1 ARG A 80 -3.202 -12.605 -7.749 1.00 10.00 N ATOM 1237 NH2 ARG A 80 -3.263 -11.135 -9.444 1.00 10.00 N ATOM 0 H ARG A 80 -2.269 -6.554 -4.314 1.00 10.00 H new ATOM 0 HA ARG A 80 -3.609 -6.977 -6.816 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -4.312 -7.920 -4.017 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -4.951 -8.558 -5.519 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -2.068 -8.648 -5.660 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -2.557 -9.324 -4.119 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -2.473 -11.186 -5.539 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -4.183 -10.813 -5.452 1.00 10.00 H new ATOM 0 HE ARG A 80 -3.343 -9.406 -7.690 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -3.189 -12.819 -6.752 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -3.180 -13.361 -8.434 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -3.299 -10.179 -9.799 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -3.240 -11.920 -10.095 1.00 10.00 H new ATOM 1251 N SER A 81 -5.025 -4.984 -4.606 1.00 10.00 N ATOM 1252 CA SER A 81 -6.004 -3.893 -4.513 1.00 10.00 C ATOM 1253 C SER A 81 -5.784 -2.846 -5.606 1.00 10.00 C ATOM 1254 O SER A 81 -6.758 -2.376 -6.183 1.00 10.00 O ATOM 1255 CB SER A 81 -5.972 -3.212 -3.142 1.00 10.00 C ATOM 1256 OG SER A 81 -6.212 -4.156 -2.123 1.00 10.00 O ATOM 0 H SER A 81 -4.407 -5.058 -3.798 1.00 10.00 H new ATOM 0 HA SER A 81 -6.984 -4.349 -4.652 1.00 10.00 H new ATOM 0 HB2 SER A 81 -5.003 -2.737 -2.987 1.00 10.00 H new ATOM 0 HB3 SER A 81 -6.724 -2.424 -3.102 1.00 10.00 H new ATOM 0 HG SER A 81 -5.525 -4.854 -2.156 1.00 10.00 H new ATOM 1262 N LEU A 82 -4.529 -2.513 -5.936 1.00 10.00 N ATOM 1263 CA LEU A 82 -4.194 -1.633 -7.058 1.00 10.00 C ATOM 1264 C LEU A 82 -4.557 -2.258 -8.409 1.00 10.00 C ATOM 1265 O LEU A 82 -5.123 -1.590 -9.271 1.00 10.00 O ATOM 1266 CB LEU A 82 -2.695 -1.306 -7.003 1.00 10.00 C ATOM 1267 CG LEU A 82 -2.250 -0.192 -7.968 1.00 10.00 C ATOM 1268 CD1 LEU A 82 -2.935 1.153 -7.698 1.00 10.00 C ATOM 1269 CD2 LEU A 82 -0.739 -0.003 -7.851 1.00 10.00 C ATOM 0 H LEU A 82 -3.713 -2.851 -5.426 1.00 10.00 H new ATOM 0 HA LEU A 82 -4.781 -0.719 -6.966 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -2.437 -1.013 -5.985 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -2.130 -2.211 -7.227 1.00 10.00 H new ATOM 0 HG LEU A 82 -2.539 -0.508 -8.970 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -2.577 1.894 -8.413 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -4.014 1.039 -7.803 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -2.702 1.483 -6.686 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -0.417 0.785 -8.532 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -0.485 0.275 -6.828 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -0.235 -0.934 -8.109 1.00 10.00 H new ATOM 1281 N GLU A 83 -4.276 -3.549 -8.586 1.00 10.00 N ATOM 1282 CA GLU A 83 -4.654 -4.297 -9.784 1.00 10.00 C ATOM 1283 C GLU A 83 -6.182 -4.289 -9.987 1.00 10.00 C ATOM 1284 O GLU A 83 -6.647 -3.984 -11.086 1.00 10.00 O ATOM 1285 CB GLU A 83 -4.096 -5.710 -9.574 1.00 10.00 C ATOM 1286 CG GLU A 83 -4.199 -6.698 -10.736 1.00 10.00 C ATOM 1287 CD GLU A 83 -3.677 -8.088 -10.311 1.00 10.00 C ATOM 1288 OE1 GLU A 83 -3.413 -8.329 -9.109 1.00 10.00 O ATOM 1289 OE2 GLU A 83 -3.556 -8.996 -11.161 1.00 10.00 O ATOM 0 H GLU A 83 -3.776 -4.109 -7.896 1.00 10.00 H new ATOM 0 HA GLU A 83 -4.248 -3.852 -10.692 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -3.044 -5.618 -9.305 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -4.607 -6.148 -8.716 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -5.236 -6.777 -11.064 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -3.623 -6.331 -11.586 1.00 10.00 H new ATOM 1296 N SER A 84 -6.963 -4.448 -8.907 1.00 10.00 N ATOM 1297 CA SER A 84 -8.422 -4.268 -8.927 1.00 10.00 C ATOM 1298 C SER A 84 -8.856 -2.801 -9.062 1.00 10.00 C ATOM 1299 O SER A 84 -9.913 -2.531 -9.626 1.00 10.00 O ATOM 1300 CB SER A 84 -9.052 -4.856 -7.661 1.00 10.00 C ATOM 1301 OG SER A 84 -8.878 -6.257 -7.619 1.00 10.00 O ATOM 0 H SER A 84 -6.597 -4.706 -7.991 1.00 10.00 H new ATOM 0 HA SER A 84 -8.773 -4.797 -9.813 1.00 10.00 H new ATOM 0 HB2 SER A 84 -8.599 -4.402 -6.779 1.00 10.00 H new ATOM 0 HB3 SER A 84 -10.115 -4.616 -7.633 1.00 10.00 H new ATOM 0 HG SER A 84 -9.286 -6.613 -6.802 1.00 10.00 H new ATOM 1307 N PHE A 85 -8.065 -1.839 -8.574 1.00 10.00 N ATOM 1308 CA PHE A 85 -8.352 -0.412 -8.730 1.00 10.00 C ATOM 1309 C PHE A 85 -8.240 0.008 -10.203 1.00 10.00 C ATOM 1310 O PHE A 85 -9.149 0.668 -10.699 1.00 10.00 O ATOM 1311 CB PHE A 85 -7.389 0.372 -7.820 1.00 10.00 C ATOM 1312 CG PHE A 85 -7.503 1.883 -7.784 1.00 10.00 C ATOM 1313 CD1 PHE A 85 -6.945 2.655 -8.821 1.00 10.00 C ATOM 1314 CD2 PHE A 85 -8.048 2.524 -6.654 1.00 10.00 C ATOM 1315 CE1 PHE A 85 -6.937 4.059 -8.733 1.00 10.00 C ATOM 1316 CE2 PHE A 85 -8.036 3.927 -6.563 1.00 10.00 C ATOM 1317 CZ PHE A 85 -7.482 4.694 -7.603 1.00 10.00 C ATOM 0 H PHE A 85 -7.206 -2.031 -8.059 1.00 10.00 H new ATOM 0 HA PHE A 85 -9.377 -0.192 -8.430 1.00 10.00 H new ATOM 0 HB2 PHE A 85 -7.520 0.005 -6.802 1.00 10.00 H new ATOM 0 HB3 PHE A 85 -6.371 0.123 -8.120 1.00 10.00 H new ATOM 0 HD1 PHE A 85 -6.522 2.168 -9.687 1.00 10.00 H new ATOM 0 HD2 PHE A 85 -8.476 1.936 -5.856 1.00 10.00 H new ATOM 0 HE1 PHE A 85 -6.513 4.648 -9.532 1.00 10.00 H new ATOM 0 HE2 PHE A 85 -8.452 4.415 -5.694 1.00 10.00 H new ATOM 0 HZ PHE A 85 -7.475 5.772 -7.534 1.00 10.00 H new ATOM 1327 N LEU A 86 -7.224 -0.453 -10.953 1.00 10.00 N ATOM 1328 CA LEU A 86 -7.159 -0.175 -12.396 1.00 10.00 C ATOM 1329 C LEU A 86 -8.234 -0.936 -13.185 1.00 10.00 C ATOM 1330 O LEU A 86 -8.774 -0.371 -14.141 1.00 10.00 O ATOM 1331 CB LEU A 86 -5.760 -0.422 -12.989 1.00 10.00 C ATOM 1332 CG LEU A 86 -4.667 0.628 -12.677 1.00 10.00 C ATOM 1333 CD1 LEU A 86 -5.150 2.082 -12.764 1.00 10.00 C ATOM 1334 CD2 LEU A 86 -4.012 0.436 -11.313 1.00 10.00 C ATOM 0 H LEU A 86 -6.450 -1.010 -10.591 1.00 10.00 H new ATOM 0 HA LEU A 86 -7.366 0.890 -12.499 1.00 10.00 H new ATOM 0 HB2 LEU A 86 -5.409 -1.391 -12.635 1.00 10.00 H new ATOM 0 HB3 LEU A 86 -5.860 -0.495 -14.072 1.00 10.00 H new ATOM 0 HG LEU A 86 -3.934 0.451 -13.464 1.00 10.00 H new ATOM 0 HD11 LEU A 86 -4.324 2.754 -12.531 1.00 10.00 H new ATOM 0 HD12 LEU A 86 -5.511 2.286 -13.772 1.00 10.00 H new ATOM 0 HD13 LEU A 86 -5.959 2.240 -12.050 1.00 10.00 H new ATOM 0 HD21 LEU A 86 -3.256 1.206 -11.161 1.00 10.00 H new ATOM 0 HD22 LEU A 86 -4.769 0.511 -10.532 1.00 10.00 H new ATOM 0 HD23 LEU A 86 -3.542 -0.547 -11.270 1.00 10.00 H new