USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 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 12 CYS SG : rot -166:sc= -4.16! USER MOD Set 1.2: A 17 CYS SG : rot 180:sc= 0.00201 USER MOD Set 1.3: A 19 THR OG1 : rot -12:sc= 1.01 USER MOD Set 1.4: A 22 ASN :FLIP amide:sc= -1.06! F(o=-7.8,f=-6.9!) USER MOD Set 1.5: A 60 CYS SG : rot 77:sc= -0.363 USER MOD Set 1.6: A 63 HIS :FLIP no HD1:sc= -2.32 F(o=-7.7!,f=-6.9) USER MOD Single : A 11 ASN : amide:sc= -0.536 X(o=-0.54,f=-0.13) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00995 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.053) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HE2:sc= -6.57! C(o=-6.6!,f=-9.7!) USER MOD Single : A 37 LYS NZ :NH3+ 158:sc=-0.00291 (180deg=-0.174) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -1.65 K(o=-1.7,f=-2.9) USER MOD Single : A 57 THR OG1 : rot 100:sc= -0.792 USER MOD Single : A 61 SER OG : rot 170:sc= 0.0555 USER MOD Single : A 62 LYS NZ :NH3+ 173:sc= -0.0637 (180deg=-0.172) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot -158:sc= -1.47! USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.533 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 152:sc= -0.0681 (180deg=-1.03) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00584 USER MOD ----------------------------------------------------------------- ATOM 111 N ASN A 11 -5.058 1.823 32.583 1.00 0.00 N ATOM 112 CA ASN A 11 -5.363 1.412 33.949 1.00 0.00 C ATOM 113 C ASN A 11 -4.286 0.476 34.488 1.00 0.00 C ATOM 114 O ASN A 11 -3.544 -0.141 33.722 1.00 0.00 O ATOM 115 CB ASN A 11 -6.728 0.723 34.004 1.00 0.00 C ATOM 116 CG ASN A 11 -7.192 0.249 32.641 1.00 0.00 C ATOM 117 OD1 ASN A 11 -8.292 0.579 32.198 1.00 0.00 O ATOM 118 ND2 ASN A 11 -6.352 -0.530 31.969 1.00 0.00 N ATOM 0 HA ASN A 11 -5.389 2.305 34.574 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -6.675 -0.128 34.683 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.464 1.414 34.415 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.609 -0.880 31.046 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.450 -0.778 32.376 1.00 0.00 H new ATOM 125 N CYS A 12 -4.205 0.374 35.810 1.00 0.00 N ATOM 126 CA CYS A 12 -3.220 -0.487 36.453 1.00 0.00 C ATOM 127 C CYS A 12 -3.557 -1.959 36.232 1.00 0.00 C ATOM 128 O CYS A 12 -4.577 -2.451 36.713 1.00 0.00 O ATOM 129 CB CYS A 12 -3.151 -0.188 37.952 1.00 0.00 C ATOM 130 SG CYS A 12 -1.853 -1.111 38.836 1.00 0.00 S ATOM 0 H CYS A 12 -4.811 0.878 36.458 1.00 0.00 H new ATOM 0 HA CYS A 12 -2.248 -0.283 36.004 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.981 0.880 38.091 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.116 -0.419 38.402 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.055 -1.024 40.117 1.00 0.00 H new ATOM 135 N ALA A 13 -2.692 -2.655 35.502 1.00 0.00 N ATOM 136 CA ALA A 13 -2.896 -4.070 35.219 1.00 0.00 C ATOM 137 C ALA A 13 -3.086 -4.865 36.506 1.00 0.00 C ATOM 138 O ALA A 13 -3.597 -5.985 36.485 1.00 0.00 O ATOM 139 CB ALA A 13 -1.723 -4.623 34.423 1.00 0.00 C ATOM 0 H ALA A 13 -1.843 -2.262 35.096 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.804 -4.169 34.624 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.888 -5.681 34.219 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.634 -4.081 33.481 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.805 -4.504 34.998 1.00 0.00 H new ATOM 145 N ALA A 14 -2.670 -4.280 37.625 1.00 0.00 N ATOM 146 CA ALA A 14 -2.796 -4.934 38.921 1.00 0.00 C ATOM 147 C ALA A 14 -4.127 -5.670 39.038 1.00 0.00 C ATOM 148 O ALA A 14 -5.065 -5.397 38.290 1.00 0.00 O ATOM 149 CB ALA A 14 -2.654 -3.915 40.042 1.00 0.00 C ATOM 0 H ALA A 14 -2.243 -3.354 37.659 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.996 -5.669 39.009 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.750 -4.417 41.005 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.676 -3.438 39.978 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.434 -3.159 39.948 1.00 0.00 H new ATOM 155 N ALA A 15 -4.201 -6.604 39.981 1.00 0.00 N ATOM 156 CA ALA A 15 -5.417 -7.378 40.196 1.00 0.00 C ATOM 157 C ALA A 15 -6.176 -6.878 41.421 1.00 0.00 C ATOM 158 O ALA A 15 -6.817 -7.657 42.126 1.00 0.00 O ATOM 159 CB ALA A 15 -5.083 -8.855 40.345 1.00 0.00 C ATOM 0 H ALA A 15 -3.433 -6.843 40.608 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.060 -7.249 39.325 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.001 -9.421 40.505 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.591 -9.210 39.439 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.418 -8.993 41.197 1.00 0.00 H new ATOM 165 N GLY A 16 -6.098 -5.574 41.669 1.00 0.00 N ATOM 166 CA GLY A 16 -6.781 -4.994 42.810 1.00 0.00 C ATOM 167 C GLY A 16 -6.154 -3.690 43.260 1.00 0.00 C ATOM 168 O GLY A 16 -5.855 -3.511 44.441 1.00 0.00 O ATOM 0 H GLY A 16 -5.574 -4.909 41.100 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.827 -4.822 42.554 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.768 -5.704 43.637 1.00 0.00 H new ATOM 172 N CYS A 17 -5.951 -2.776 42.317 1.00 0.00 N ATOM 173 CA CYS A 17 -5.353 -1.482 42.621 1.00 0.00 C ATOM 174 C CYS A 17 -6.247 -0.343 42.140 1.00 0.00 C ATOM 175 O CYS A 17 -7.016 0.226 42.914 1.00 0.00 O ATOM 176 CB CYS A 17 -3.972 -1.370 41.973 1.00 0.00 C ATOM 177 SG CYS A 17 -3.193 0.266 42.160 1.00 0.00 S ATOM 0 H CYS A 17 -6.192 -2.908 41.335 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.246 -1.404 43.703 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.316 -2.124 42.408 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.061 -1.599 40.911 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.029 0.261 41.581 1.00 0.00 H new ATOM 182 N ALA A 18 -6.140 -0.016 40.856 1.00 0.00 N ATOM 183 CA ALA A 18 -6.940 1.052 40.270 1.00 0.00 C ATOM 184 C ALA A 18 -6.301 2.415 40.517 1.00 0.00 C ATOM 185 O ALA A 18 -6.430 2.986 41.600 1.00 0.00 O ATOM 186 CB ALA A 18 -8.354 1.021 40.831 1.00 0.00 C ATOM 0 H ALA A 18 -5.507 -0.476 40.202 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.984 0.890 39.193 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.940 1.824 40.385 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.817 0.062 40.599 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.319 1.155 41.912 1.00 0.00 H new ATOM 192 N THR A 19 -5.609 2.931 39.506 1.00 0.00 N ATOM 193 CA THR A 19 -4.948 4.225 39.614 1.00 0.00 C ATOM 194 C THR A 19 -5.397 5.166 38.501 1.00 0.00 C ATOM 195 O THR A 19 -4.867 6.268 38.354 1.00 0.00 O ATOM 196 CB THR A 19 -3.415 4.079 39.560 1.00 0.00 C ATOM 197 OG1 THR A 19 -2.811 4.886 40.577 1.00 0.00 O ATOM 198 CG2 THR A 19 -2.880 4.488 38.196 1.00 0.00 C ATOM 0 H THR A 19 -5.492 2.472 38.603 1.00 0.00 H new ATOM 0 HA THR A 19 -5.232 4.646 40.579 1.00 0.00 H new ATOM 0 HB THR A 19 -3.165 3.032 39.731 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.482 5.491 40.956 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.796 4.376 38.182 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.320 3.853 37.427 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.140 5.528 38.000 1.00 0.00 H new ATOM 206 N THR A 20 -6.378 4.726 37.720 1.00 0.00 N ATOM 207 CA THR A 20 -6.898 5.529 36.620 1.00 0.00 C ATOM 208 C THR A 20 -7.174 6.960 37.067 1.00 0.00 C ATOM 209 O THR A 20 -7.933 7.191 38.009 1.00 0.00 O ATOM 210 CB THR A 20 -8.193 4.924 36.046 1.00 0.00 C ATOM 211 OG1 THR A 20 -8.947 4.299 37.091 1.00 0.00 O ATOM 212 CG2 THR A 20 -7.879 3.905 34.961 1.00 0.00 C ATOM 0 H THR A 20 -6.829 3.818 37.829 1.00 0.00 H new ATOM 0 HA THR A 20 -6.133 5.535 35.844 1.00 0.00 H new ATOM 0 HB THR A 20 -8.781 5.730 35.607 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.770 3.918 36.718 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.809 3.491 34.570 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.331 4.390 34.154 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.272 3.102 35.380 1.00 0.00 H new ATOM 220 N TYR A 21 -6.555 7.917 36.386 1.00 0.00 N ATOM 221 CA TYR A 21 -6.733 9.327 36.714 1.00 0.00 C ATOM 222 C TYR A 21 -6.908 9.518 38.218 1.00 0.00 C ATOM 223 O TYR A 21 -8.028 9.622 38.715 1.00 0.00 O ATOM 224 CB TYR A 21 -7.943 9.896 35.972 1.00 0.00 C ATOM 225 CG TYR A 21 -7.764 11.332 35.532 1.00 0.00 C ATOM 226 CD1 TYR A 21 -7.239 12.283 36.398 1.00 0.00 C ATOM 227 CD2 TYR A 21 -8.119 11.736 34.252 1.00 0.00 C ATOM 228 CE1 TYR A 21 -7.074 13.596 36.002 1.00 0.00 C ATOM 229 CE2 TYR A 21 -7.956 13.047 33.846 1.00 0.00 C ATOM 230 CZ TYR A 21 -7.433 13.973 34.724 1.00 0.00 C ATOM 231 OH TYR A 21 -7.270 15.279 34.324 1.00 0.00 O ATOM 0 H TYR A 21 -5.925 7.743 35.603 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.838 9.863 36.399 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.145 9.279 35.096 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.819 9.829 36.617 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.955 11.991 37.398 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.529 11.014 33.562 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.666 14.323 36.689 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.237 13.345 32.847 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.570 15.377 33.396 1.00 0.00 H new ATOM 241 N ASN A 22 -5.791 9.564 38.936 1.00 0.00 N ATOM 242 CA ASN A 22 -5.819 9.742 40.383 1.00 0.00 C ATOM 243 C ASN A 22 -5.668 11.215 40.752 1.00 0.00 C ATOM 244 O ASN A 22 -4.727 11.882 40.322 1.00 0.00 O ATOM 245 CB ASN A 22 -4.707 8.924 41.041 1.00 0.00 C ATOM 246 CG ASN A 22 -5.156 7.521 41.400 1.00 0.00 C ATOM 247 OD1 ASN A 22 -4.268 6.757 42.026 1.00 0.00 O flip ATOM 248 ND2 ASN A 22 -6.289 7.129 41.119 1.00 0.00 N flip ATOM 0 H ASN A 22 -4.855 9.480 38.539 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.784 9.390 40.749 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.853 8.868 40.366 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.368 9.436 41.942 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.939 7.750 40.637 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.578 6.183 41.368 1.00 0.00 H new ATOM 313 N ASN A 26 0.331 11.726 39.696 1.00 0.00 N ATOM 314 CA ASN A 26 0.943 11.747 38.372 1.00 0.00 C ATOM 315 C ASN A 26 1.763 10.483 38.132 1.00 0.00 C ATOM 316 O ASN A 26 2.757 10.505 37.406 1.00 0.00 O ATOM 317 CB ASN A 26 1.832 12.982 38.218 1.00 0.00 C ATOM 318 CG ASN A 26 1.096 14.269 38.539 1.00 0.00 C ATOM 319 OD1 ASN A 26 0.737 15.032 37.642 1.00 0.00 O ATOM 320 ND2 ASN A 26 0.868 14.515 39.824 1.00 0.00 N ATOM 0 HA ASN A 26 0.145 11.787 37.631 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.697 12.888 38.875 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.211 13.028 37.197 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.377 15.365 40.101 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.184 13.854 40.534 1.00 0.00 H new ATOM 327 N ILE A 27 1.339 9.384 38.746 1.00 0.00 N ATOM 328 CA ILE A 27 2.032 8.110 38.598 1.00 0.00 C ATOM 329 C ILE A 27 2.405 7.854 37.141 1.00 0.00 C ATOM 330 O ILE A 27 1.608 8.094 36.234 1.00 0.00 O ATOM 331 CB ILE A 27 1.174 6.939 39.110 1.00 0.00 C ATOM 332 CG1 ILE A 27 1.524 6.620 40.565 1.00 0.00 C ATOM 333 CG2 ILE A 27 1.373 5.713 38.232 1.00 0.00 C ATOM 334 CD1 ILE A 27 0.517 5.718 41.245 1.00 0.00 C ATOM 0 H ILE A 27 0.519 9.350 39.351 1.00 0.00 H new ATOM 0 HA ILE A 27 2.940 8.173 39.198 1.00 0.00 H new ATOM 0 HB ILE A 27 0.124 7.229 39.063 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.505 6.146 40.599 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.601 7.552 41.125 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.760 4.894 38.607 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.080 5.947 37.209 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.422 5.419 38.250 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.829 5.534 42.273 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.461 6.198 41.243 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.457 4.771 40.709 1.00 0.00 H new ATOM 346 N SER A 28 3.621 7.363 36.925 1.00 0.00 N ATOM 347 CA SER A 28 4.101 7.075 35.579 1.00 0.00 C ATOM 348 C SER A 28 3.487 5.783 35.048 1.00 0.00 C ATOM 349 O SER A 28 2.706 5.125 35.735 1.00 0.00 O ATOM 350 CB SER A 28 5.627 6.969 35.570 1.00 0.00 C ATOM 351 OG SER A 28 6.176 7.602 34.427 1.00 0.00 O ATOM 0 H SER A 28 4.292 7.156 37.665 1.00 0.00 H new ATOM 0 HA SER A 28 3.797 7.895 34.929 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.032 7.427 36.473 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.922 5.920 35.585 1.00 0.00 H new ATOM 0 HG SER A 28 7.153 7.522 34.446 1.00 0.00 H new ATOM 357 N PHE A 29 3.848 5.425 33.820 1.00 0.00 N ATOM 358 CA PHE A 29 3.333 4.212 33.195 1.00 0.00 C ATOM 359 C PHE A 29 4.473 3.343 32.672 1.00 0.00 C ATOM 360 O PHE A 29 5.066 3.636 31.633 1.00 0.00 O ATOM 361 CB PHE A 29 2.381 4.568 32.050 1.00 0.00 C ATOM 362 CG PHE A 29 1.432 5.682 32.384 1.00 0.00 C ATOM 363 CD1 PHE A 29 1.846 7.003 32.328 1.00 0.00 C ATOM 364 CD2 PHE A 29 0.125 5.409 32.755 1.00 0.00 C ATOM 365 CE1 PHE A 29 0.974 8.031 32.635 1.00 0.00 C ATOM 366 CE2 PHE A 29 -0.751 6.433 33.062 1.00 0.00 C ATOM 367 CZ PHE A 29 -0.326 7.746 33.003 1.00 0.00 C ATOM 0 H PHE A 29 4.495 5.957 33.238 1.00 0.00 H new ATOM 0 HA PHE A 29 2.787 3.647 33.951 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.967 4.851 31.176 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.807 3.682 31.777 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.862 7.232 32.041 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.213 4.384 32.805 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.309 9.056 32.587 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.768 6.207 33.348 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.009 8.547 33.244 1.00 0.00 H new ATOM 377 N HIS A 30 4.775 2.273 33.400 1.00 0.00 N ATOM 378 CA HIS A 30 5.845 1.361 33.011 1.00 0.00 C ATOM 379 C HIS A 30 5.274 0.083 32.403 1.00 0.00 C ATOM 380 O HIS A 30 4.809 -0.803 33.119 1.00 0.00 O ATOM 381 CB HIS A 30 6.717 1.019 34.219 1.00 0.00 C ATOM 382 CG HIS A 30 7.308 2.220 34.891 1.00 0.00 C ATOM 383 ND1 HIS A 30 8.311 2.979 34.327 1.00 0.00 N ATOM 384 CD2 HIS A 30 7.031 2.792 36.085 1.00 0.00 C ATOM 385 CE1 HIS A 30 8.627 3.966 35.146 1.00 0.00 C ATOM 386 NE2 HIS A 30 7.864 3.876 36.221 1.00 0.00 N ATOM 0 H HIS A 30 4.294 2.016 34.262 1.00 0.00 H new ATOM 0 HA HIS A 30 6.458 1.859 32.259 1.00 0.00 H new ATOM 0 HB2 HIS A 30 6.119 0.465 34.943 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.523 0.358 33.899 1.00 0.00 H new ATOM 0 HD1 HIS A 30 8.742 2.806 33.419 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.292 2.459 36.799 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.381 4.719 34.967 1.00 0.00 H new ATOM 394 N ARG A 31 5.312 -0.003 31.077 1.00 0.00 N ATOM 395 CA ARG A 31 4.797 -1.171 30.372 1.00 0.00 C ATOM 396 C ARG A 31 5.460 -2.448 30.880 1.00 0.00 C ATOM 397 O ARG A 31 6.435 -2.398 31.630 1.00 0.00 O ATOM 398 CB ARG A 31 5.028 -1.028 28.867 1.00 0.00 C ATOM 399 CG ARG A 31 6.489 -0.839 28.490 1.00 0.00 C ATOM 400 CD ARG A 31 6.631 -0.162 27.136 1.00 0.00 C ATOM 401 NE ARG A 31 7.557 0.967 27.182 1.00 0.00 N ATOM 402 CZ ARG A 31 8.867 0.836 27.357 1.00 0.00 C ATOM 403 NH1 ARG A 31 9.403 -0.368 27.501 1.00 0.00 N ATOM 404 NH2 ARG A 31 9.644 1.911 27.389 1.00 0.00 N ATOM 0 H ARG A 31 5.694 0.722 30.470 1.00 0.00 H new ATOM 0 HA ARG A 31 3.726 -1.237 30.563 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.643 -1.915 28.363 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.454 -0.178 28.499 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.988 -0.240 29.252 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.989 -1.808 28.468 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.981 -0.888 26.403 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.654 0.184 26.800 1.00 0.00 H new ATOM 0 HE ARG A 31 7.177 1.907 27.074 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.809 -1.197 27.478 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.409 -0.465 27.635 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.235 2.839 27.279 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.650 1.809 27.523 1.00 0.00 H new ATOM 418 N PHE A 32 4.924 -3.592 30.467 1.00 0.00 N ATOM 419 CA PHE A 32 5.462 -4.882 30.881 1.00 0.00 C ATOM 420 C PHE A 32 6.774 -5.180 30.162 1.00 0.00 C ATOM 421 O PHE A 32 7.060 -4.645 29.091 1.00 0.00 O ATOM 422 CB PHE A 32 4.449 -5.995 30.599 1.00 0.00 C ATOM 423 CG PHE A 32 3.334 -6.058 31.603 1.00 0.00 C ATOM 424 CD1 PHE A 32 2.552 -4.944 31.862 1.00 0.00 C ATOM 425 CD2 PHE A 32 3.067 -7.233 32.289 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.525 -4.999 32.785 1.00 0.00 C ATOM 427 CE2 PHE A 32 2.041 -7.294 33.212 1.00 0.00 C ATOM 428 CZ PHE A 32 1.270 -6.175 33.462 1.00 0.00 C ATOM 0 H PHE A 32 4.117 -3.652 29.846 1.00 0.00 H new ATOM 0 HA PHE A 32 5.657 -4.839 31.953 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.025 -5.847 29.606 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.968 -6.953 30.584 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.747 -4.021 31.336 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.668 -8.110 32.100 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.923 -4.123 32.977 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.842 -8.216 33.738 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.469 -6.220 34.186 1.00 0.00 H new ATOM 438 N PRO A 33 7.593 -6.055 30.765 1.00 0.00 N ATOM 439 CA PRO A 33 8.889 -6.444 30.201 1.00 0.00 C ATOM 440 C PRO A 33 8.742 -7.297 28.946 1.00 0.00 C ATOM 441 O PRO A 33 8.027 -8.300 28.945 1.00 0.00 O ATOM 442 CB PRO A 33 9.536 -7.255 31.327 1.00 0.00 C ATOM 443 CG PRO A 33 8.391 -7.780 32.122 1.00 0.00 C ATOM 444 CD PRO A 33 7.317 -6.731 32.043 1.00 0.00 C ATOM 0 HA PRO A 33 9.475 -5.579 29.889 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.147 -8.066 30.930 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.190 -6.633 31.938 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.039 -8.730 31.719 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.684 -7.961 33.156 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.321 -7.174 32.056 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.369 -6.039 32.883 1.00 0.00 H new ATOM 452 N LEU A 34 9.424 -6.894 27.879 1.00 0.00 N ATOM 453 CA LEU A 34 9.370 -7.622 26.616 1.00 0.00 C ATOM 454 C LEU A 34 10.159 -8.925 26.705 1.00 0.00 C ATOM 455 O LEU A 34 10.269 -9.663 25.726 1.00 0.00 O ATOM 456 CB LEU A 34 9.918 -6.756 25.481 1.00 0.00 C ATOM 457 CG LEU A 34 9.154 -5.463 25.194 1.00 0.00 C ATOM 458 CD1 LEU A 34 7.701 -5.596 25.621 1.00 0.00 C ATOM 459 CD2 LEU A 34 9.814 -4.286 25.898 1.00 0.00 C ATOM 0 H LEU A 34 10.021 -6.067 27.864 1.00 0.00 H new ATOM 0 HA LEU A 34 8.328 -7.864 26.408 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.952 -6.500 25.713 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.935 -7.354 24.570 1.00 0.00 H new ATOM 0 HG LEU A 34 9.180 -5.279 24.120 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.173 -4.666 25.409 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.233 -6.412 25.071 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.654 -5.805 26.690 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.257 -3.374 25.683 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.820 -4.462 26.974 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.839 -4.178 25.543 1.00 0.00 H new ATOM 471 N ASP A 35 10.704 -9.201 27.884 1.00 0.00 N ATOM 472 CA ASP A 35 11.481 -10.416 28.102 1.00 0.00 C ATOM 473 C ASP A 35 10.617 -11.509 28.724 1.00 0.00 C ATOM 474 O ASP A 35 9.770 -11.253 29.580 1.00 0.00 O ATOM 475 CB ASP A 35 12.682 -10.124 29.003 1.00 0.00 C ATOM 476 CG ASP A 35 13.974 -10.691 28.447 1.00 0.00 C ATOM 477 OD1 ASP A 35 14.062 -10.866 27.213 1.00 0.00 O ATOM 478 OD2 ASP A 35 14.896 -10.960 29.245 1.00 0.00 O ATOM 0 H ASP A 35 10.622 -8.600 28.704 1.00 0.00 H new ATOM 0 HA ASP A 35 11.839 -10.767 27.134 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.786 -9.046 29.128 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.501 -10.543 29.993 1.00 0.00 H new ATOM 483 N PRO A 36 10.834 -12.757 28.283 1.00 0.00 N ATOM 484 CA PRO A 36 10.084 -13.914 28.782 1.00 0.00 C ATOM 485 C PRO A 36 10.440 -14.256 30.225 1.00 0.00 C ATOM 486 O PRO A 36 9.712 -14.985 30.898 1.00 0.00 O ATOM 487 CB PRO A 36 10.511 -15.045 27.843 1.00 0.00 C ATOM 488 CG PRO A 36 11.854 -14.636 27.344 1.00 0.00 C ATOM 489 CD PRO A 36 11.827 -13.135 27.264 1.00 0.00 C ATOM 0 HA PRO A 36 9.009 -13.731 28.790 1.00 0.00 H new ATOM 0 HB2 PRO A 36 10.557 -15.999 28.368 1.00 0.00 H new ATOM 0 HB3 PRO A 36 9.804 -15.167 27.022 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.641 -14.977 28.017 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.058 -15.075 26.367 1.00 0.00 H new ATOM 0 HD2 PRO A 36 12.805 -12.704 27.477 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.536 -12.791 26.272 1.00 0.00 H new ATOM 497 N LYS A 37 11.564 -13.726 30.694 1.00 0.00 N ATOM 498 CA LYS A 37 12.016 -13.973 32.058 1.00 0.00 C ATOM 499 C LYS A 37 11.196 -13.165 33.058 1.00 0.00 C ATOM 500 O LYS A 37 10.824 -13.667 34.119 1.00 0.00 O ATOM 501 CB LYS A 37 13.500 -13.622 32.197 1.00 0.00 C ATOM 502 CG LYS A 37 14.423 -14.585 31.469 1.00 0.00 C ATOM 503 CD LYS A 37 14.636 -14.168 30.024 1.00 0.00 C ATOM 504 CE LYS A 37 16.114 -14.012 29.701 1.00 0.00 C ATOM 505 NZ LYS A 37 16.861 -15.286 29.891 1.00 0.00 N ATOM 0 H LYS A 37 12.179 -13.122 30.149 1.00 0.00 H new ATOM 0 HA LYS A 37 11.878 -15.032 32.274 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.664 -12.615 31.814 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.764 -13.608 33.254 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.384 -14.627 31.982 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.000 -15.589 31.500 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.194 -14.912 29.361 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.120 -13.226 29.836 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.227 -13.675 28.671 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.545 -13.240 30.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.737 -15.261 29.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.096 -15.404 30.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.272 -16.084 29.577 1.00 0.00 H new ATOM 519 N ARG A 38 10.917 -11.912 32.713 1.00 0.00 N ATOM 520 CA ARG A 38 10.141 -11.035 33.581 1.00 0.00 C ATOM 521 C ARG A 38 8.659 -11.083 33.218 1.00 0.00 C ATOM 522 O ARG A 38 7.795 -11.104 34.094 1.00 0.00 O ATOM 523 CB ARG A 38 10.655 -9.598 33.482 1.00 0.00 C ATOM 524 CG ARG A 38 12.171 -9.491 33.506 1.00 0.00 C ATOM 525 CD ARG A 38 12.734 -9.866 34.868 1.00 0.00 C ATOM 526 NE ARG A 38 14.185 -9.710 34.922 1.00 0.00 N ATOM 527 CZ ARG A 38 14.893 -9.808 36.042 1.00 0.00 C ATOM 528 NH1 ARG A 38 14.287 -10.061 37.193 1.00 0.00 N ATOM 529 NH2 ARG A 38 16.211 -9.654 36.010 1.00 0.00 N ATOM 0 H ARG A 38 11.217 -11.482 31.838 1.00 0.00 H new ATOM 0 HA ARG A 38 10.258 -11.385 34.607 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.282 -9.150 32.561 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.245 -9.017 34.308 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.595 -10.144 32.743 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.469 -8.473 33.256 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.274 -9.243 35.635 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.472 -10.899 35.097 1.00 0.00 H new ATOM 0 HE ARG A 38 14.682 -9.515 34.053 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.274 -10.181 37.221 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.833 -10.136 38.051 1.00 0.00 H new ATOM 0 HH21 ARG A 38 16.681 -9.460 35.125 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.754 -9.729 36.870 1.00 0.00 H new ATOM 543 N ARG A 39 8.374 -11.100 31.920 1.00 0.00 N ATOM 544 CA ARG A 39 6.998 -11.144 31.440 1.00 0.00 C ATOM 545 C ARG A 39 6.143 -12.048 32.324 1.00 0.00 C ATOM 546 O ARG A 39 4.969 -11.767 32.567 1.00 0.00 O ATOM 547 CB ARG A 39 6.955 -11.638 29.993 1.00 0.00 C ATOM 548 CG ARG A 39 5.561 -11.625 29.386 1.00 0.00 C ATOM 549 CD ARG A 39 5.301 -12.875 28.561 1.00 0.00 C ATOM 550 NE ARG A 39 4.124 -12.732 27.708 1.00 0.00 N ATOM 551 CZ ARG A 39 3.563 -13.744 27.055 1.00 0.00 C ATOM 552 NH1 ARG A 39 4.068 -14.965 27.158 1.00 0.00 N ATOM 553 NH2 ARG A 39 2.493 -13.535 26.298 1.00 0.00 N ATOM 0 H ARG A 39 9.078 -11.084 31.182 1.00 0.00 H new ATOM 0 HA ARG A 39 6.592 -10.133 31.483 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.612 -11.016 29.386 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.350 -12.653 29.953 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.818 -11.551 30.180 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.445 -10.742 28.757 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.173 -13.089 27.943 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.165 -13.727 29.227 1.00 0.00 H new ATOM 0 HE ARG A 39 3.710 -11.805 27.608 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.889 -15.130 27.740 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.635 -15.740 26.656 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.101 -12.597 26.217 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.063 -14.312 25.797 1.00 0.00 H new ATOM 567 N LYS A 40 6.739 -13.135 32.801 1.00 0.00 N ATOM 568 CA LYS A 40 6.034 -14.081 33.658 1.00 0.00 C ATOM 569 C LYS A 40 5.963 -13.567 35.093 1.00 0.00 C ATOM 570 O LYS A 40 4.911 -13.620 35.729 1.00 0.00 O ATOM 571 CB LYS A 40 6.729 -15.444 33.628 1.00 0.00 C ATOM 572 CG LYS A 40 7.788 -15.563 32.546 1.00 0.00 C ATOM 573 CD LYS A 40 8.276 -16.994 32.398 1.00 0.00 C ATOM 574 CE LYS A 40 9.747 -17.122 32.765 1.00 0.00 C ATOM 575 NZ LYS A 40 10.465 -18.061 31.858 1.00 0.00 N ATOM 0 H LYS A 40 7.709 -13.383 32.609 1.00 0.00 H new ATOM 0 HA LYS A 40 5.018 -14.189 33.278 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.190 -15.629 34.598 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.980 -16.221 33.478 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.380 -15.217 31.596 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.630 -14.914 32.787 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.683 -17.650 33.035 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.126 -17.326 31.371 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.219 -16.141 32.720 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.836 -17.471 33.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.464 -18.121 32.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.030 -19.004 31.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.402 -17.715 30.879 1.00 0.00 H new ATOM 589 N GLU A 41 7.089 -13.069 35.595 1.00 0.00 N ATOM 590 CA GLU A 41 7.152 -12.545 36.954 1.00 0.00 C ATOM 591 C GLU A 41 6.116 -11.444 37.162 1.00 0.00 C ATOM 592 O GLU A 41 5.311 -11.503 38.092 1.00 0.00 O ATOM 593 CB GLU A 41 8.553 -12.004 37.251 1.00 0.00 C ATOM 594 CG GLU A 41 9.475 -13.025 37.896 1.00 0.00 C ATOM 595 CD GLU A 41 10.223 -13.861 36.876 1.00 0.00 C ATOM 596 OE1 GLU A 41 9.573 -14.660 36.170 1.00 0.00 O ATOM 597 OE2 GLU A 41 11.460 -13.716 36.783 1.00 0.00 O ATOM 0 H GLU A 41 7.969 -13.018 35.081 1.00 0.00 H new ATOM 0 HA GLU A 41 6.932 -13.362 37.641 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.004 -11.656 36.322 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.467 -11.138 37.908 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.193 -12.509 38.534 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.890 -13.682 38.540 1.00 0.00 H new ATOM 604 N TRP A 42 6.143 -10.442 36.290 1.00 0.00 N ATOM 605 CA TRP A 42 5.206 -9.328 36.378 1.00 0.00 C ATOM 606 C TRP A 42 3.772 -9.830 36.498 1.00 0.00 C ATOM 607 O TRP A 42 3.075 -9.522 37.465 1.00 0.00 O ATOM 608 CB TRP A 42 5.342 -8.423 35.152 1.00 0.00 C ATOM 609 CG TRP A 42 6.534 -7.516 35.212 1.00 0.00 C ATOM 610 CD1 TRP A 42 7.837 -7.886 35.382 1.00 0.00 C ATOM 611 CD2 TRP A 42 6.530 -6.089 35.105 1.00 0.00 C ATOM 612 NE1 TRP A 42 8.645 -6.774 35.387 1.00 0.00 N ATOM 613 CE2 TRP A 42 7.867 -5.659 35.217 1.00 0.00 C ATOM 614 CE3 TRP A 42 5.529 -5.131 34.922 1.00 0.00 C ATOM 615 CZ2 TRP A 42 8.225 -4.315 35.154 1.00 0.00 C ATOM 616 CZ3 TRP A 42 5.885 -3.798 34.860 1.00 0.00 C ATOM 617 CH2 TRP A 42 7.224 -3.399 34.975 1.00 0.00 C ATOM 0 H TRP A 42 6.803 -10.378 35.515 1.00 0.00 H new ATOM 0 HA TRP A 42 5.446 -8.754 37.273 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.411 -9.043 34.258 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.440 -7.819 35.053 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.182 -8.903 35.496 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.659 -6.778 35.499 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.495 -5.428 34.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.256 -4.006 35.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.119 -3.050 34.721 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.470 -2.349 34.921 1.00 0.00 H new ATOM 628 N VAL A 43 3.336 -10.606 35.511 1.00 0.00 N ATOM 629 CA VAL A 43 1.984 -11.152 35.507 1.00 0.00 C ATOM 630 C VAL A 43 1.749 -12.044 36.721 1.00 0.00 C ATOM 631 O VAL A 43 0.607 -12.293 37.108 1.00 0.00 O ATOM 632 CB VAL A 43 1.711 -11.964 34.227 1.00 0.00 C ATOM 633 CG1 VAL A 43 0.248 -12.376 34.158 1.00 0.00 C ATOM 634 CG2 VAL A 43 2.106 -11.165 32.995 1.00 0.00 C ATOM 0 H VAL A 43 3.900 -10.871 34.703 1.00 0.00 H new ATOM 0 HA VAL A 43 1.300 -10.305 35.544 1.00 0.00 H new ATOM 0 HB VAL A 43 2.318 -12.869 34.255 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.074 -12.949 33.247 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.001 -12.989 35.025 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.381 -11.486 34.153 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.906 -11.754 32.100 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.527 -10.242 32.959 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.168 -10.925 33.042 1.00 0.00 H new ATOM 644 N ARG A 44 2.836 -12.520 37.318 1.00 0.00 N ATOM 645 CA ARG A 44 2.747 -13.385 38.489 1.00 0.00 C ATOM 646 C ARG A 44 2.669 -12.559 39.770 1.00 0.00 C ATOM 647 O ARG A 44 2.228 -13.049 40.811 1.00 0.00 O ATOM 648 CB ARG A 44 3.954 -14.324 38.548 1.00 0.00 C ATOM 649 CG ARG A 44 4.460 -14.577 39.959 1.00 0.00 C ATOM 650 CD ARG A 44 3.444 -15.351 40.784 1.00 0.00 C ATOM 651 NE ARG A 44 3.330 -14.828 42.143 1.00 0.00 N ATOM 652 CZ ARG A 44 2.303 -15.083 42.946 1.00 0.00 C ATOM 653 NH1 ARG A 44 1.306 -15.851 42.528 1.00 0.00 N ATOM 654 NH2 ARG A 44 2.272 -14.570 44.169 1.00 0.00 N ATOM 0 H ARG A 44 3.788 -12.322 37.011 1.00 0.00 H new ATOM 0 HA ARG A 44 1.837 -13.978 38.403 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.685 -15.276 38.091 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.762 -13.901 37.952 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.396 -15.134 39.917 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.677 -13.626 40.445 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.471 -15.306 40.295 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.733 -16.401 40.823 1.00 0.00 H new ATOM 0 HE ARG A 44 4.081 -14.234 42.495 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.327 -16.247 41.588 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.518 -16.046 43.146 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.037 -13.979 44.494 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.483 -14.767 44.785 1.00 0.00 H new ATOM 668 N LEU A 45 3.099 -11.305 39.687 1.00 0.00 N ATOM 669 CA LEU A 45 3.077 -10.411 40.839 1.00 0.00 C ATOM 670 C LEU A 45 1.733 -9.700 40.952 1.00 0.00 C ATOM 671 O LEU A 45 1.186 -9.554 42.045 1.00 0.00 O ATOM 672 CB LEU A 45 4.204 -9.381 40.731 1.00 0.00 C ATOM 673 CG LEU A 45 5.608 -9.885 41.069 1.00 0.00 C ATOM 674 CD1 LEU A 45 6.638 -9.251 40.147 1.00 0.00 C ATOM 675 CD2 LEU A 45 5.943 -9.596 42.525 1.00 0.00 C ATOM 0 H LEU A 45 3.467 -10.884 38.834 1.00 0.00 H new ATOM 0 HA LEU A 45 3.225 -11.012 41.736 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.215 -8.989 39.714 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.971 -8.546 41.391 1.00 0.00 H new ATOM 0 HG LEU A 45 5.632 -10.964 40.920 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.631 -9.621 40.402 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.409 -9.509 39.113 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.613 -8.168 40.264 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.946 -9.962 42.747 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.901 -8.521 42.702 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.222 -10.098 43.171 1.00 0.00 H new ATOM 687 N VAL A 46 1.204 -9.260 39.814 1.00 0.00 N ATOM 688 CA VAL A 46 -0.079 -8.568 39.784 1.00 0.00 C ATOM 689 C VAL A 46 -1.143 -9.349 40.546 1.00 0.00 C ATOM 690 O VAL A 46 -2.032 -8.765 41.166 1.00 0.00 O ATOM 691 CB VAL A 46 -0.560 -8.340 38.339 1.00 0.00 C ATOM 692 CG1 VAL A 46 0.030 -9.388 37.408 1.00 0.00 C ATOM 693 CG2 VAL A 46 -2.080 -8.354 38.276 1.00 0.00 C ATOM 0 H VAL A 46 1.645 -9.371 38.901 1.00 0.00 H new ATOM 0 HA VAL A 46 0.071 -7.602 40.265 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.214 -7.360 38.009 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.321 -9.211 36.391 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.118 -9.325 37.432 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.283 -10.380 37.732 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.403 -8.191 37.248 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.450 -9.318 38.624 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.478 -7.562 38.911 1.00 0.00 H new ATOM 703 N ARG A 47 -1.046 -10.674 40.496 1.00 0.00 N ATOM 704 CA ARG A 47 -2.002 -11.537 41.180 1.00 0.00 C ATOM 705 C ARG A 47 -3.327 -11.586 40.426 1.00 0.00 C ATOM 706 O ARG A 47 -4.386 -11.780 41.024 1.00 0.00 O ATOM 707 CB ARG A 47 -2.234 -11.043 42.609 1.00 0.00 C ATOM 708 CG ARG A 47 -2.149 -12.142 43.655 1.00 0.00 C ATOM 709 CD ARG A 47 -1.677 -11.602 44.996 1.00 0.00 C ATOM 710 NE ARG A 47 -2.295 -12.303 46.118 1.00 0.00 N ATOM 711 CZ ARG A 47 -2.172 -11.918 47.383 1.00 0.00 C ATOM 712 NH1 ARG A 47 -1.458 -10.842 47.685 1.00 0.00 N ATOM 713 NH2 ARG A 47 -2.765 -12.608 48.348 1.00 0.00 N ATOM 0 H ARG A 47 -0.315 -11.173 39.989 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.586 -12.544 41.213 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.498 -10.274 42.842 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.216 -10.573 42.667 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.127 -12.609 43.774 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.465 -12.918 43.313 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.593 -11.696 45.063 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.910 -10.539 45.061 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.852 -13.134 45.919 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.002 -10.308 46.945 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.365 -10.548 48.657 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.316 -13.435 48.119 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.670 -12.312 49.319 1.00 0.00 H new ATOM 727 N ARG A 48 -3.261 -11.408 39.111 1.00 0.00 N ATOM 728 CA ARG A 48 -4.455 -11.431 38.276 1.00 0.00 C ATOM 729 C ARG A 48 -4.971 -12.857 38.102 1.00 0.00 C ATOM 730 O ARG A 48 -4.766 -13.712 38.964 1.00 0.00 O ATOM 731 CB ARG A 48 -4.159 -10.814 36.907 1.00 0.00 C ATOM 732 CG ARG A 48 -3.369 -11.729 35.986 1.00 0.00 C ATOM 733 CD ARG A 48 -2.263 -12.456 36.735 1.00 0.00 C ATOM 734 NE ARG A 48 -1.600 -13.454 35.900 1.00 0.00 N ATOM 735 CZ ARG A 48 -0.900 -14.472 36.388 1.00 0.00 C ATOM 736 NH1 ARG A 48 -0.772 -14.625 37.699 1.00 0.00 N ATOM 737 NH2 ARG A 48 -0.325 -15.339 35.564 1.00 0.00 N ATOM 0 H ARG A 48 -2.393 -11.246 38.601 1.00 0.00 H new ATOM 0 HA ARG A 48 -5.226 -10.842 38.773 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.101 -10.552 36.425 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.604 -9.887 37.048 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.041 -12.457 35.531 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.936 -11.144 35.174 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.528 -11.732 37.088 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.681 -12.941 37.617 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.679 -13.364 34.887 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.212 -13.960 38.335 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.234 -15.408 38.071 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.420 -15.224 34.555 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.212 -16.120 35.940 1.00 0.00 H new ATOM 751 N LYS A 49 -5.641 -13.106 36.982 1.00 0.00 N ATOM 752 CA LYS A 49 -6.185 -14.427 36.694 1.00 0.00 C ATOM 753 C LYS A 49 -5.821 -14.869 35.280 1.00 0.00 C ATOM 754 O LYS A 49 -6.622 -14.744 34.355 1.00 0.00 O ATOM 755 CB LYS A 49 -7.706 -14.422 36.862 1.00 0.00 C ATOM 756 CG LYS A 49 -8.163 -14.026 38.255 1.00 0.00 C ATOM 757 CD LYS A 49 -9.627 -14.364 38.479 1.00 0.00 C ATOM 758 CE LYS A 49 -9.811 -15.827 38.852 1.00 0.00 C ATOM 759 NZ LYS A 49 -10.523 -15.983 40.151 1.00 0.00 N ATOM 0 H LYS A 49 -5.820 -12.410 36.259 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.749 -15.134 37.400 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.141 -13.734 36.137 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.092 -15.415 36.631 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.553 -14.539 38.998 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.010 -12.956 38.399 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.030 -13.732 39.270 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.195 -14.144 37.575 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.372 -16.334 38.067 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.837 -16.312 38.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.629 -16.994 40.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.975 -15.521 40.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.463 -15.543 40.087 1.00 0.00 H new ATOM 773 N ASN A 50 -4.608 -15.388 35.121 1.00 0.00 N ATOM 774 CA ASN A 50 -4.138 -15.850 33.820 1.00 0.00 C ATOM 775 C ASN A 50 -4.333 -14.773 32.758 1.00 0.00 C ATOM 776 O ASN A 50 -4.826 -15.046 31.663 1.00 0.00 O ATOM 777 CB ASN A 50 -4.878 -17.125 33.411 1.00 0.00 C ATOM 778 CG ASN A 50 -4.298 -18.365 34.063 1.00 0.00 C ATOM 779 OD1 ASN A 50 -4.034 -18.381 35.266 1.00 0.00 O ATOM 780 ND2 ASN A 50 -4.097 -19.412 33.271 1.00 0.00 N ATOM 0 H ASN A 50 -3.932 -15.499 35.877 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.073 -16.066 33.902 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.930 -17.034 33.682 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.836 -17.234 32.327 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.709 -20.274 33.654 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.330 -19.354 32.280 1.00 0.00 H new ATOM 787 N PHE A 51 -3.941 -13.546 33.088 1.00 0.00 N ATOM 788 CA PHE A 51 -4.073 -12.427 32.163 1.00 0.00 C ATOM 789 C PHE A 51 -2.766 -12.185 31.412 1.00 0.00 C ATOM 790 O PHE A 51 -1.732 -12.765 31.742 1.00 0.00 O ATOM 791 CB PHE A 51 -4.482 -11.160 32.918 1.00 0.00 C ATOM 792 CG PHE A 51 -3.478 -10.048 32.810 1.00 0.00 C ATOM 793 CD1 PHE A 51 -2.156 -10.253 33.171 1.00 0.00 C ATOM 794 CD2 PHE A 51 -3.856 -8.797 32.349 1.00 0.00 C ATOM 795 CE1 PHE A 51 -1.230 -9.231 33.073 1.00 0.00 C ATOM 796 CE2 PHE A 51 -2.935 -7.771 32.250 1.00 0.00 C ATOM 797 CZ PHE A 51 -1.620 -7.989 32.611 1.00 0.00 C ATOM 0 H PHE A 51 -3.530 -13.302 33.989 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.848 -12.676 31.438 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.441 -10.812 32.534 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.629 -11.405 33.970 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.845 -11.222 33.533 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.883 -8.622 32.064 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.203 -9.404 33.357 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.243 -6.800 31.891 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.898 -7.190 32.532 1.00 0.00 H new ATOM 807 N VAL A 52 -2.823 -11.325 30.400 1.00 0.00 N ATOM 808 CA VAL A 52 -1.645 -11.006 29.602 1.00 0.00 C ATOM 809 C VAL A 52 -1.780 -9.635 28.948 1.00 0.00 C ATOM 810 O VAL A 52 -2.868 -9.209 28.561 1.00 0.00 O ATOM 811 CB VAL A 52 -1.406 -12.063 28.508 1.00 0.00 C ATOM 812 CG1 VAL A 52 -1.227 -11.397 27.152 1.00 0.00 C ATOM 813 CG2 VAL A 52 -0.199 -12.922 28.852 1.00 0.00 C ATOM 0 H VAL A 52 -3.672 -10.837 30.114 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.793 -10.999 30.282 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.281 -12.711 28.456 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.059 -12.160 26.391 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.124 -10.829 26.905 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.370 -10.725 27.187 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.045 -13.664 28.068 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.686 -12.291 28.933 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.372 -13.428 29.802 1.00 0.00 H new ATOM 823 N PRO A 53 -0.648 -8.927 28.821 1.00 0.00 N ATOM 824 CA PRO A 53 -0.613 -7.594 28.213 1.00 0.00 C ATOM 825 C PRO A 53 -0.871 -7.634 26.711 1.00 0.00 C ATOM 826 O PRO A 53 -0.370 -8.512 26.009 1.00 0.00 O ATOM 827 CB PRO A 53 0.812 -7.112 28.498 1.00 0.00 C ATOM 828 CG PRO A 53 1.611 -8.360 28.649 1.00 0.00 C ATOM 829 CD PRO A 53 0.685 -9.373 29.261 1.00 0.00 C ATOM 0 HA PRO A 53 -1.388 -6.942 28.616 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.192 -6.495 27.683 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.851 -6.505 29.403 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.983 -8.704 27.684 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.481 -8.192 29.284 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.906 -10.382 28.913 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.766 -9.386 30.348 1.00 0.00 H new ATOM 837 N GLY A 54 -1.656 -6.678 26.224 1.00 0.00 N ATOM 838 CA GLY A 54 -1.967 -6.623 24.808 1.00 0.00 C ATOM 839 C GLY A 54 -1.410 -5.382 24.140 1.00 0.00 C ATOM 840 O GLY A 54 -0.425 -5.452 23.405 1.00 0.00 O ATOM 0 H GLY A 54 -2.082 -5.941 26.785 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.564 -7.508 24.316 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.049 -6.649 24.675 1.00 0.00 H new ATOM 844 N LYS A 55 -2.043 -4.242 24.392 1.00 0.00 N ATOM 845 CA LYS A 55 -1.606 -2.978 23.810 1.00 0.00 C ATOM 846 C LYS A 55 -1.512 -1.892 24.877 1.00 0.00 C ATOM 847 O LYS A 55 -0.530 -1.151 24.937 1.00 0.00 O ATOM 848 CB LYS A 55 -2.572 -2.541 22.706 1.00 0.00 C ATOM 849 CG LYS A 55 -1.881 -2.179 21.403 1.00 0.00 C ATOM 850 CD LYS A 55 -2.058 -0.708 21.067 1.00 0.00 C ATOM 851 CE LYS A 55 -3.223 -0.490 20.114 1.00 0.00 C ATOM 852 NZ LYS A 55 -2.771 0.041 18.798 1.00 0.00 N ATOM 0 H LYS A 55 -2.861 -4.167 24.996 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.616 -3.127 23.380 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.284 -3.344 22.519 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.145 -1.682 23.055 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.819 -2.411 21.477 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.285 -2.789 20.595 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.225 -0.142 21.983 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.142 -0.324 20.618 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.750 -1.432 19.964 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.933 0.205 20.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.594 0.176 18.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.290 0.952 18.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.113 -0.634 18.359 1.00 0.00 H new ATOM 866 N HIS A 56 -2.538 -1.802 25.717 1.00 0.00 N ATOM 867 CA HIS A 56 -2.569 -0.807 26.783 1.00 0.00 C ATOM 868 C HIS A 56 -2.433 -1.470 28.150 1.00 0.00 C ATOM 869 O HIS A 56 -3.290 -1.308 29.019 1.00 0.00 O ATOM 870 CB HIS A 56 -3.868 -0.002 26.720 1.00 0.00 C ATOM 871 CG HIS A 56 -4.329 0.284 25.324 1.00 0.00 C ATOM 872 ND1 HIS A 56 -4.867 -0.680 24.497 1.00 0.00 N ATOM 873 CD2 HIS A 56 -4.332 1.434 24.611 1.00 0.00 C ATOM 874 CE1 HIS A 56 -5.179 -0.135 23.335 1.00 0.00 C ATOM 875 NE2 HIS A 56 -4.865 1.147 23.378 1.00 0.00 N ATOM 0 H HIS A 56 -3.359 -2.406 25.680 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.725 -0.132 26.641 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -4.650 -0.548 27.247 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -3.727 0.941 27.248 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -3.981 2.398 24.948 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.617 -0.650 22.493 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -4.997 1.815 22.619 1.00 0.00 H new ATOM 883 N THR A 57 -1.350 -2.219 28.334 1.00 0.00 N ATOM 884 CA THR A 57 -1.103 -2.909 29.593 1.00 0.00 C ATOM 885 C THR A 57 0.112 -2.329 30.308 1.00 0.00 C ATOM 886 O THR A 57 1.228 -2.366 29.788 1.00 0.00 O ATOM 887 CB THR A 57 -0.883 -4.418 29.374 1.00 0.00 C ATOM 888 OG1 THR A 57 -1.211 -4.770 28.026 1.00 0.00 O ATOM 889 CG2 THR A 57 -1.732 -5.234 30.337 1.00 0.00 C ATOM 0 H THR A 57 -0.630 -2.363 27.626 1.00 0.00 H new ATOM 0 HA THR A 57 -1.989 -2.765 30.211 1.00 0.00 H new ATOM 0 HB THR A 57 0.167 -4.641 29.562 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.389 -4.840 27.497 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.560 -6.296 30.163 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.460 -4.985 31.363 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.786 -5.006 30.176 1.00 0.00 H new ATOM 897 N PHE A 58 -0.111 -1.793 31.504 1.00 0.00 N ATOM 898 CA PHE A 58 0.967 -1.204 32.291 1.00 0.00 C ATOM 899 C PHE A 58 0.702 -1.370 33.784 1.00 0.00 C ATOM 900 O PHE A 58 -0.364 -1.833 34.190 1.00 0.00 O ATOM 901 CB PHE A 58 1.123 0.279 31.950 1.00 0.00 C ATOM 902 CG PHE A 58 0.622 1.198 33.028 1.00 0.00 C ATOM 903 CD1 PHE A 58 -0.708 1.583 33.064 1.00 0.00 C ATOM 904 CD2 PHE A 58 1.481 1.675 34.005 1.00 0.00 C ATOM 905 CE1 PHE A 58 -1.172 2.429 34.054 1.00 0.00 C ATOM 906 CE2 PHE A 58 1.023 2.521 34.998 1.00 0.00 C ATOM 907 CZ PHE A 58 -0.306 2.897 35.023 1.00 0.00 C ATOM 0 H PHE A 58 -1.028 -1.754 31.949 1.00 0.00 H new ATOM 0 HA PHE A 58 1.892 -1.725 32.044 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.175 0.492 31.762 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.586 0.490 31.025 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.390 1.218 32.310 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.521 1.382 33.991 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.211 2.724 34.070 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.703 2.887 35.753 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.667 3.556 35.799 1.00 0.00 H new ATOM 917 N LEU A 59 1.681 -0.988 34.598 1.00 0.00 N ATOM 918 CA LEU A 59 1.556 -1.094 36.048 1.00 0.00 C ATOM 919 C LEU A 59 2.149 0.130 36.736 1.00 0.00 C ATOM 920 O LEU A 59 3.273 0.538 36.442 1.00 0.00 O ATOM 921 CB LEU A 59 2.251 -2.362 36.548 1.00 0.00 C ATOM 922 CG LEU A 59 1.343 -3.560 36.827 1.00 0.00 C ATOM 923 CD1 LEU A 59 2.099 -4.636 37.591 1.00 0.00 C ATOM 924 CD2 LEU A 59 0.107 -3.123 37.599 1.00 0.00 C ATOM 0 H LEU A 59 2.570 -0.602 34.279 1.00 0.00 H new ATOM 0 HA LEU A 59 0.495 -1.148 36.294 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.995 -2.660 35.809 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.790 -2.120 37.464 1.00 0.00 H new ATOM 0 HG LEU A 59 1.022 -3.979 35.873 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.437 -5.481 37.781 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.953 -4.969 37.001 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.450 -4.230 38.540 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.528 -3.988 37.789 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.409 -2.679 38.548 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.446 -2.388 37.014 1.00 0.00 H new ATOM 936 N CYS A 60 1.387 0.713 37.656 1.00 0.00 N ATOM 937 CA CYS A 60 1.837 1.890 38.389 1.00 0.00 C ATOM 938 C CYS A 60 3.313 1.771 38.757 1.00 0.00 C ATOM 939 O CYS A 60 3.876 0.676 38.762 1.00 0.00 O ATOM 940 CB CYS A 60 0.998 2.080 39.655 1.00 0.00 C ATOM 941 SG CYS A 60 -0.794 1.879 39.396 1.00 0.00 S ATOM 0 H CYS A 60 0.454 0.389 37.911 1.00 0.00 H new ATOM 0 HA CYS A 60 1.711 2.759 37.743 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.328 1.364 40.408 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.187 3.075 40.057 1.00 0.00 H new ATOM 0 HG CYS A 60 -1.081 0.614 39.308 1.00 0.00 H new ATOM 946 N SER A 61 3.934 2.905 39.064 1.00 0.00 N ATOM 947 CA SER A 61 5.346 2.929 39.430 1.00 0.00 C ATOM 948 C SER A 61 5.518 2.783 40.939 1.00 0.00 C ATOM 949 O SER A 61 6.437 2.111 41.409 1.00 0.00 O ATOM 950 CB SER A 61 5.996 4.229 38.954 1.00 0.00 C ATOM 951 OG SER A 61 5.069 5.301 38.976 1.00 0.00 O ATOM 0 H SER A 61 3.482 3.819 39.067 1.00 0.00 H new ATOM 0 HA SER A 61 5.837 2.087 38.943 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.848 4.468 39.591 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.381 4.098 37.943 1.00 0.00 H new ATOM 0 HG SER A 61 5.542 6.146 38.825 1.00 0.00 H new ATOM 957 N LYS A 62 4.628 3.418 41.694 1.00 0.00 N ATOM 958 CA LYS A 62 4.679 3.360 43.150 1.00 0.00 C ATOM 959 C LYS A 62 5.177 1.998 43.623 1.00 0.00 C ATOM 960 O LYS A 62 6.118 1.910 44.413 1.00 0.00 O ATOM 961 CB LYS A 62 3.296 3.642 43.740 1.00 0.00 C ATOM 962 CG LYS A 62 3.124 5.069 44.233 1.00 0.00 C ATOM 963 CD LYS A 62 3.281 6.072 43.103 1.00 0.00 C ATOM 964 CE LYS A 62 4.223 7.203 43.488 1.00 0.00 C ATOM 965 NZ LYS A 62 5.638 6.746 43.560 1.00 0.00 N ATOM 0 H LYS A 62 3.862 3.979 41.321 1.00 0.00 H new ATOM 0 HA LYS A 62 5.377 4.122 43.495 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.539 3.434 42.984 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.117 2.956 44.568 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.139 5.182 44.687 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.859 5.277 45.010 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.662 5.566 42.216 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.306 6.483 42.841 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.139 8.010 42.760 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.924 7.612 44.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.261 7.566 43.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.748 6.081 44.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.895 6.272 42.671 1.00 0.00 H new ATOM 979 N HIS A 63 4.542 0.938 43.134 1.00 0.00 N ATOM 980 CA HIS A 63 4.923 -0.420 43.506 1.00 0.00 C ATOM 981 C HIS A 63 6.429 -0.619 43.369 1.00 0.00 C ATOM 982 O HIS A 63 7.118 -0.917 44.345 1.00 0.00 O ATOM 983 CB HIS A 63 4.182 -1.436 42.636 1.00 0.00 C ATOM 984 CG HIS A 63 2.720 -1.145 42.487 1.00 0.00 C ATOM 985 ND1 HIS A 63 2.024 -0.617 41.454 1.00 0.00 N flip ATOM 986 CD2 HIS A 63 1.798 -1.398 43.480 1.00 0.00 C flip ATOM 987 CE1 HIS A 63 0.706 -0.562 41.837 1.00 0.00 C flip ATOM 988 NE2 HIS A 63 0.596 -1.039 43.063 1.00 0.00 N flip ATOM 0 H HIS A 63 3.762 0.993 42.480 1.00 0.00 H new ATOM 0 HA HIS A 63 4.647 -0.575 44.549 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.642 -1.459 41.648 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.304 -2.429 43.068 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.022 -1.823 44.447 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.108 -0.189 41.233 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.269 -1.117 43.598 1.00 0.00 H new ATOM 996 N PHE A 64 6.936 -0.451 42.152 1.00 0.00 N ATOM 997 CA PHE A 64 8.360 -0.614 41.887 1.00 0.00 C ATOM 998 C PHE A 64 9.185 0.337 42.750 1.00 0.00 C ATOM 999 O PHE A 64 8.753 1.448 43.054 1.00 0.00 O ATOM 1000 CB PHE A 64 8.657 -0.365 40.407 1.00 0.00 C ATOM 1001 CG PHE A 64 8.031 -1.378 39.492 1.00 0.00 C ATOM 1002 CD1 PHE A 64 6.694 -1.284 39.144 1.00 0.00 C ATOM 1003 CD2 PHE A 64 8.781 -2.425 38.979 1.00 0.00 C ATOM 1004 CE1 PHE A 64 6.115 -2.215 38.302 1.00 0.00 C ATOM 1005 CE2 PHE A 64 8.208 -3.359 38.137 1.00 0.00 C ATOM 1006 CZ PHE A 64 6.873 -3.253 37.797 1.00 0.00 C ATOM 0 H PHE A 64 6.381 -0.202 41.333 1.00 0.00 H new ATOM 0 HA PHE A 64 8.636 -1.638 42.138 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.300 0.628 40.135 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.736 -0.368 40.256 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.097 -0.474 39.535 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.825 -2.512 39.240 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.071 -2.131 38.039 1.00 0.00 H new ATOM 0 HE2 PHE A 64 8.803 -4.171 37.745 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.423 -3.980 37.138 1.00 0.00 H new ATOM 1016 N GLU A 65 10.375 -0.110 43.140 1.00 0.00 N ATOM 1017 CA GLU A 65 11.260 0.701 43.968 1.00 0.00 C ATOM 1018 C GLU A 65 12.260 1.469 43.108 1.00 0.00 C ATOM 1019 O GLU A 65 12.140 1.507 41.884 1.00 0.00 O ATOM 1020 CB GLU A 65 12.007 -0.182 44.971 1.00 0.00 C ATOM 1021 CG GLU A 65 11.411 -0.153 46.369 1.00 0.00 C ATOM 1022 CD GLU A 65 12.456 0.075 47.444 1.00 0.00 C ATOM 1023 OE1 GLU A 65 12.806 1.248 47.690 1.00 0.00 O ATOM 1024 OE2 GLU A 65 12.924 -0.919 48.038 1.00 0.00 O ATOM 0 H GLU A 65 10.748 -1.028 42.896 1.00 0.00 H new ATOM 0 HA GLU A 65 10.648 1.420 44.512 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.009 -1.209 44.607 1.00 0.00 H new ATOM 0 HB3 GLU A 65 13.047 0.140 45.022 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.661 0.636 46.424 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.898 -1.095 46.561 1.00 0.00 H new ATOM 1031 N ALA A 66 13.245 2.079 43.758 1.00 0.00 N ATOM 1032 CA ALA A 66 14.266 2.844 43.053 1.00 0.00 C ATOM 1033 C ALA A 66 15.285 1.922 42.392 1.00 0.00 C ATOM 1034 O ALA A 66 15.987 2.322 41.463 1.00 0.00 O ATOM 1035 CB ALA A 66 14.961 3.803 44.009 1.00 0.00 C ATOM 0 H ALA A 66 13.358 2.058 44.772 1.00 0.00 H new ATOM 0 HA ALA A 66 13.776 3.421 42.269 1.00 0.00 H new ATOM 0 HB1 ALA A 66 15.721 4.368 43.469 1.00 0.00 H new ATOM 0 HB2 ALA A 66 14.228 4.491 44.430 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.432 3.238 44.813 1.00 0.00 H new ATOM 1041 N SER A 67 15.361 0.687 42.877 1.00 0.00 N ATOM 1042 CA SER A 67 16.297 -0.291 42.335 1.00 0.00 C ATOM 1043 C SER A 67 15.750 -0.917 41.056 1.00 0.00 C ATOM 1044 O SER A 67 16.398 -1.765 40.441 1.00 0.00 O ATOM 1045 CB SER A 67 16.582 -1.382 43.369 1.00 0.00 C ATOM 1046 OG SER A 67 17.946 -1.376 43.755 1.00 0.00 O ATOM 0 H SER A 67 14.786 0.340 43.644 1.00 0.00 H new ATOM 0 HA SER A 67 17.226 0.226 42.096 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.952 -1.230 44.246 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.322 -2.356 42.955 1.00 0.00 H new ATOM 0 HG SER A 67 18.102 -2.081 44.418 1.00 0.00 H new ATOM 1052 N CYS A 68 14.555 -0.492 40.661 1.00 0.00 N ATOM 1053 CA CYS A 68 13.919 -1.010 39.455 1.00 0.00 C ATOM 1054 C CYS A 68 13.901 0.045 38.354 1.00 0.00 C ATOM 1055 O CYS A 68 13.572 -0.249 37.204 1.00 0.00 O ATOM 1056 CB CYS A 68 12.493 -1.470 39.763 1.00 0.00 C ATOM 1057 SG CYS A 68 12.372 -3.193 40.296 1.00 0.00 S ATOM 0 H CYS A 68 14.007 0.210 41.158 1.00 0.00 H new ATOM 0 HA CYS A 68 14.500 -1.863 39.105 1.00 0.00 H new ATOM 0 HB2 CYS A 68 12.076 -0.830 40.541 1.00 0.00 H new ATOM 0 HB3 CYS A 68 11.878 -1.332 38.874 1.00 0.00 H new ATOM 0 HG CYS A 68 11.164 -3.627 40.090 1.00 0.00 H new ATOM 1063 N PHE A 69 14.254 1.274 38.714 1.00 0.00 N ATOM 1064 CA PHE A 69 14.275 2.374 37.757 1.00 0.00 C ATOM 1065 C PHE A 69 15.708 2.752 37.394 1.00 0.00 C ATOM 1066 O PHE A 69 16.663 2.229 37.968 1.00 0.00 O ATOM 1067 CB PHE A 69 13.544 3.591 38.329 1.00 0.00 C ATOM 1068 CG PHE A 69 12.126 3.303 38.732 1.00 0.00 C ATOM 1069 CD1 PHE A 69 11.184 2.935 37.785 1.00 0.00 C ATOM 1070 CD2 PHE A 69 11.734 3.402 40.058 1.00 0.00 C ATOM 1071 CE1 PHE A 69 9.878 2.670 38.152 1.00 0.00 C ATOM 1072 CE2 PHE A 69 10.430 3.137 40.431 1.00 0.00 C ATOM 1073 CZ PHE A 69 9.501 2.772 39.477 1.00 0.00 C ATOM 0 H PHE A 69 14.529 1.534 39.661 1.00 0.00 H new ATOM 0 HA PHE A 69 13.764 2.044 36.852 1.00 0.00 H new ATOM 0 HB2 PHE A 69 14.092 3.960 39.196 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.547 4.389 37.587 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.474 2.854 36.748 1.00 0.00 H new ATOM 0 HD2 PHE A 69 12.456 3.689 40.808 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.153 2.384 37.404 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.138 3.215 41.468 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.481 2.567 39.766 1.00 0.00 H new ATOM 1083 N ASP A 70 15.849 3.663 36.437 1.00 0.00 N ATOM 1084 CA ASP A 70 17.165 4.112 35.997 1.00 0.00 C ATOM 1085 C ASP A 70 17.347 5.603 36.264 1.00 0.00 C ATOM 1086 O ASP A 70 17.168 6.431 35.370 1.00 0.00 O ATOM 1087 CB ASP A 70 17.355 3.821 34.508 1.00 0.00 C ATOM 1088 CG ASP A 70 18.675 3.136 34.215 1.00 0.00 C ATOM 1089 OD1 ASP A 70 18.850 1.976 34.646 1.00 0.00 O ATOM 1090 OD2 ASP A 70 19.533 3.758 33.555 1.00 0.00 O ATOM 0 H ASP A 70 15.068 4.105 35.951 1.00 0.00 H new ATOM 0 HA ASP A 70 17.917 3.565 36.565 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.537 3.192 34.157 1.00 0.00 H new ATOM 0 HB3 ASP A 70 17.302 4.755 33.949 1.00 0.00 H new ATOM 1095 N LEU A 71 17.704 5.938 37.499 1.00 0.00 N ATOM 1096 CA LEU A 71 17.910 7.330 37.885 1.00 0.00 C ATOM 1097 C LEU A 71 19.350 7.759 37.626 1.00 0.00 C ATOM 1098 O LEU A 71 19.601 8.739 36.923 1.00 0.00 O ATOM 1099 CB LEU A 71 17.565 7.527 39.362 1.00 0.00 C ATOM 1100 CG LEU A 71 17.277 6.254 40.160 1.00 0.00 C ATOM 1101 CD1 LEU A 71 17.099 6.577 41.635 1.00 0.00 C ATOM 1102 CD2 LEU A 71 16.044 5.550 39.613 1.00 0.00 C ATOM 0 H LEU A 71 17.857 5.265 38.250 1.00 0.00 H new ATOM 0 HA LEU A 71 17.251 7.951 37.279 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.391 8.053 39.840 1.00 0.00 H new ATOM 0 HB3 LEU A 71 16.693 8.178 39.427 1.00 0.00 H new ATOM 0 HG LEU A 71 18.130 5.583 40.057 1.00 0.00 H new ATOM 0 HD11 LEU A 71 16.895 5.659 42.186 1.00 0.00 H new ATOM 0 HD12 LEU A 71 18.010 7.036 42.019 1.00 0.00 H new ATOM 0 HD13 LEU A 71 16.265 7.267 41.758 1.00 0.00 H new ATOM 0 HD21 LEU A 71 15.854 4.647 40.192 1.00 0.00 H new ATOM 0 HD22 LEU A 71 15.183 6.215 39.685 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.210 5.283 38.569 1.00 0.00 H new ATOM 1152 N THR A 75 16.325 10.273 33.852 1.00 0.00 N ATOM 1153 CA THR A 75 15.073 10.300 34.596 1.00 0.00 C ATOM 1154 C THR A 75 14.692 8.905 35.081 1.00 0.00 C ATOM 1155 O THR A 75 15.243 7.906 34.620 1.00 0.00 O ATOM 1156 CB THR A 75 13.923 10.865 33.741 1.00 0.00 C ATOM 1157 OG1 THR A 75 12.670 10.648 34.400 1.00 0.00 O ATOM 1158 CG2 THR A 75 13.899 10.214 32.367 1.00 0.00 C ATOM 0 HA THR A 75 15.230 10.951 35.456 1.00 0.00 H new ATOM 0 HB THR A 75 14.086 11.935 33.615 1.00 0.00 H new ATOM 0 HG1 THR A 75 11.944 11.012 33.851 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.078 10.629 31.782 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.843 10.407 31.857 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.759 9.139 32.476 1.00 0.00 H new ATOM 1166 N ARG A 76 13.746 8.846 36.012 1.00 0.00 N ATOM 1167 CA ARG A 76 13.292 7.573 36.559 1.00 0.00 C ATOM 1168 C ARG A 76 12.647 6.714 35.475 1.00 0.00 C ATOM 1169 O ARG A 76 11.519 6.970 35.056 1.00 0.00 O ATOM 1170 CB ARG A 76 12.296 7.808 37.697 1.00 0.00 C ATOM 1171 CG ARG A 76 12.757 7.253 39.034 1.00 0.00 C ATOM 1172 CD ARG A 76 13.490 8.305 39.852 1.00 0.00 C ATOM 1173 NE ARG A 76 13.099 8.274 41.259 1.00 0.00 N ATOM 1174 CZ ARG A 76 11.855 8.470 41.681 1.00 0.00 C ATOM 1175 NH1 ARG A 76 10.886 8.709 40.809 1.00 0.00 N ATOM 1176 NH2 ARG A 76 11.579 8.426 42.978 1.00 0.00 N ATOM 0 H ARG A 76 13.279 9.664 36.403 1.00 0.00 H new ATOM 0 HA ARG A 76 14.161 7.044 36.949 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.120 8.879 37.799 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.342 7.352 37.433 1.00 0.00 H new ATOM 0 HG2 ARG A 76 11.896 6.890 39.595 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.413 6.398 38.868 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.565 8.143 39.771 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.284 9.293 39.440 1.00 0.00 H new ATOM 0 HE ARG A 76 13.821 8.092 41.956 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.095 8.743 39.811 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.931 8.859 41.136 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.322 8.242 43.652 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.623 8.577 43.301 1.00 0.00 H new ATOM 1190 N ARG A 77 13.373 5.695 35.026 1.00 0.00 N ATOM 1191 CA ARG A 77 12.873 4.799 33.990 1.00 0.00 C ATOM 1192 C ARG A 77 12.955 3.344 34.442 1.00 0.00 C ATOM 1193 O ARG A 77 14.019 2.865 34.838 1.00 0.00 O ATOM 1194 CB ARG A 77 13.667 4.988 32.696 1.00 0.00 C ATOM 1195 CG ARG A 77 13.572 6.392 32.123 1.00 0.00 C ATOM 1196 CD ARG A 77 14.120 6.454 30.706 1.00 0.00 C ATOM 1197 NE ARG A 77 13.058 6.403 29.705 1.00 0.00 N ATOM 1198 CZ ARG A 77 13.280 6.275 28.402 1.00 0.00 C ATOM 1199 NH1 ARG A 77 14.521 6.183 27.944 1.00 0.00 N ATOM 1200 NH2 ARG A 77 12.261 6.237 27.554 1.00 0.00 N ATOM 0 H ARG A 77 14.309 5.470 35.363 1.00 0.00 H new ATOM 0 HA ARG A 77 11.827 5.045 33.806 1.00 0.00 H new ATOM 0 HB2 ARG A 77 14.714 4.752 32.885 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.308 4.276 31.952 1.00 0.00 H new ATOM 0 HG2 ARG A 77 12.532 6.718 32.127 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.125 7.084 32.759 1.00 0.00 H new ATOM 0 HD2 ARG A 77 14.694 7.372 30.579 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.808 5.624 30.547 1.00 0.00 H new ATOM 0 HE ARG A 77 12.092 6.469 30.025 1.00 0.00 H new ATOM 0 HH11 ARG A 77 15.307 6.210 28.593 1.00 0.00 H new ATOM 0 HH12 ARG A 77 14.689 6.085 26.943 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.305 6.306 27.902 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.434 6.139 26.554 1.00 0.00 H new ATOM 1214 N LEU A 78 11.826 2.647 34.382 1.00 0.00 N ATOM 1215 CA LEU A 78 11.770 1.246 34.786 1.00 0.00 C ATOM 1216 C LEU A 78 12.580 0.372 33.834 1.00 0.00 C ATOM 1217 O LEU A 78 12.232 0.222 32.663 1.00 0.00 O ATOM 1218 CB LEU A 78 10.319 0.765 34.829 1.00 0.00 C ATOM 1219 CG LEU A 78 10.079 -0.588 35.500 1.00 0.00 C ATOM 1220 CD1 LEU A 78 11.078 -1.618 34.996 1.00 0.00 C ATOM 1221 CD2 LEU A 78 10.165 -0.455 37.014 1.00 0.00 C ATOM 0 H LEU A 78 10.937 3.028 34.058 1.00 0.00 H new ATOM 0 HA LEU A 78 12.203 1.163 35.783 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.724 1.516 35.348 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.944 0.712 33.807 1.00 0.00 H new ATOM 0 HG LEU A 78 9.076 -0.928 35.241 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.892 -2.575 35.484 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.969 -1.734 33.918 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.090 -1.285 35.224 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.992 -1.427 37.475 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.155 -0.093 37.292 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.410 0.251 37.361 1.00 0.00 H new ATOM 1233 N LYS A 79 13.661 -0.206 34.346 1.00 0.00 N ATOM 1234 CA LYS A 79 14.520 -1.069 33.543 1.00 0.00 C ATOM 1235 C LYS A 79 13.739 -2.263 33.003 1.00 0.00 C ATOM 1236 O LYS A 79 13.021 -2.933 33.744 1.00 0.00 O ATOM 1237 CB LYS A 79 15.708 -1.557 34.375 1.00 0.00 C ATOM 1238 CG LYS A 79 16.769 -0.495 34.602 1.00 0.00 C ATOM 1239 CD LYS A 79 17.036 -0.280 36.083 1.00 0.00 C ATOM 1240 CE LYS A 79 17.821 -1.437 36.681 1.00 0.00 C ATOM 1241 NZ LYS A 79 19.268 -1.111 36.822 1.00 0.00 N ATOM 0 H LYS A 79 13.963 -0.093 35.314 1.00 0.00 H new ATOM 0 HA LYS A 79 14.890 -0.487 32.699 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.345 -1.908 35.341 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.163 -2.412 33.876 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.693 -0.790 34.104 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.448 0.443 34.149 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.590 0.648 36.223 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.090 -0.169 36.612 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.409 -1.689 37.658 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.707 -2.318 36.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.769 -1.925 37.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.668 -0.895 35.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.379 -0.286 37.445 1.00 0.00 H new ATOM 1255 N MET A 80 13.887 -2.524 31.708 1.00 0.00 N ATOM 1256 CA MET A 80 13.197 -3.640 31.071 1.00 0.00 C ATOM 1257 C MET A 80 13.469 -4.944 31.814 1.00 0.00 C ATOM 1258 O MET A 80 12.706 -5.904 31.703 1.00 0.00 O ATOM 1259 CB MET A 80 13.634 -3.770 29.611 1.00 0.00 C ATOM 1260 CG MET A 80 15.081 -3.369 29.371 1.00 0.00 C ATOM 1261 SD MET A 80 15.908 -4.433 28.173 1.00 0.00 S ATOM 1262 CE MET A 80 14.659 -4.536 26.893 1.00 0.00 C ATOM 0 H MET A 80 14.478 -1.979 31.080 1.00 0.00 H new ATOM 0 HA MET A 80 12.126 -3.440 31.106 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.493 -4.802 29.289 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.986 -3.151 28.990 1.00 0.00 H new ATOM 0 HG2 MET A 80 15.114 -2.338 29.019 1.00 0.00 H new ATOM 0 HG3 MET A 80 15.624 -3.401 30.315 1.00 0.00 H new ATOM 0 HE1 MET A 80 15.139 -4.704 25.929 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.983 -5.363 27.110 1.00 0.00 H new ATOM 0 HE3 MET A 80 14.094 -3.604 26.860 1.00 0.00 H new ATOM 1272 N ASP A 81 14.561 -4.971 32.570 1.00 0.00 N ATOM 1273 CA ASP A 81 14.933 -6.158 33.332 1.00 0.00 C ATOM 1274 C ASP A 81 14.640 -5.964 34.817 1.00 0.00 C ATOM 1275 O ASP A 81 15.375 -6.454 35.674 1.00 0.00 O ATOM 1276 CB ASP A 81 16.416 -6.476 33.130 1.00 0.00 C ATOM 1277 CG ASP A 81 16.633 -7.800 32.425 1.00 0.00 C ATOM 1278 OD1 ASP A 81 16.536 -8.851 33.094 1.00 0.00 O ATOM 1279 OD2 ASP A 81 16.899 -7.786 31.205 1.00 0.00 O ATOM 0 H ASP A 81 15.204 -4.186 32.672 1.00 0.00 H new ATOM 0 HA ASP A 81 14.337 -6.995 32.968 1.00 0.00 H new ATOM 0 HB2 ASP A 81 16.880 -5.678 32.550 1.00 0.00 H new ATOM 0 HB3 ASP A 81 16.915 -6.497 34.099 1.00 0.00 H new ATOM 1284 N ALA A 82 13.562 -5.246 35.113 1.00 0.00 N ATOM 1285 CA ALA A 82 13.171 -4.988 36.494 1.00 0.00 C ATOM 1286 C ALA A 82 11.747 -5.465 36.759 1.00 0.00 C ATOM 1287 O ALA A 82 10.867 -5.327 35.909 1.00 0.00 O ATOM 1288 CB ALA A 82 13.302 -3.506 36.812 1.00 0.00 C ATOM 0 H ALA A 82 12.944 -4.832 34.415 1.00 0.00 H new ATOM 0 HA ALA A 82 13.841 -5.548 37.146 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.007 -3.328 37.846 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.337 -3.194 36.671 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.656 -2.933 36.147 1.00 0.00 H new ATOM 1294 N VAL A 83 11.527 -6.026 37.944 1.00 0.00 N ATOM 1295 CA VAL A 83 10.209 -6.522 38.321 1.00 0.00 C ATOM 1296 C VAL A 83 9.691 -5.814 39.568 1.00 0.00 C ATOM 1297 O VAL A 83 10.458 -5.370 40.423 1.00 0.00 O ATOM 1298 CB VAL A 83 10.234 -8.040 38.579 1.00 0.00 C ATOM 1299 CG1 VAL A 83 9.605 -8.791 37.415 1.00 0.00 C ATOM 1300 CG2 VAL A 83 11.658 -8.516 38.824 1.00 0.00 C ATOM 0 H VAL A 83 12.244 -6.148 38.659 1.00 0.00 H new ATOM 0 HA VAL A 83 9.541 -6.314 37.485 1.00 0.00 H new ATOM 0 HB VAL A 83 9.647 -8.248 39.474 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.632 -9.862 37.616 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.570 -8.471 37.292 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.161 -8.579 36.502 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.656 -9.591 39.004 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.271 -8.296 37.950 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.069 -8.003 39.694 1.00 0.00 H new ATOM 1310 N PRO A 84 8.359 -5.705 39.677 1.00 0.00 N ATOM 1311 CA PRO A 84 7.708 -5.053 40.817 1.00 0.00 C ATOM 1312 C PRO A 84 7.845 -5.861 42.103 1.00 0.00 C ATOM 1313 O PRO A 84 7.026 -6.734 42.391 1.00 0.00 O ATOM 1314 CB PRO A 84 6.241 -4.973 40.389 1.00 0.00 C ATOM 1315 CG PRO A 84 6.069 -6.084 39.412 1.00 0.00 C ATOM 1316 CD PRO A 84 7.385 -6.212 38.695 1.00 0.00 C ATOM 0 HA PRO A 84 8.154 -4.084 41.042 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.573 -5.090 41.242 1.00 0.00 H new ATOM 0 HB3 PRO A 84 6.013 -4.008 39.935 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.809 -7.013 39.919 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.262 -5.867 38.712 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.593 -7.246 38.419 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.400 -5.627 37.775 1.00 0.00 H new ATOM 1324 N THR A 85 8.886 -5.564 42.875 1.00 0.00 N ATOM 1325 CA THR A 85 9.131 -6.263 44.130 1.00 0.00 C ATOM 1326 C THR A 85 8.155 -5.810 45.211 1.00 0.00 C ATOM 1327 O THR A 85 8.261 -6.221 46.367 1.00 0.00 O ATOM 1328 CB THR A 85 10.571 -6.037 44.627 1.00 0.00 C ATOM 1329 OG1 THR A 85 10.886 -4.640 44.598 1.00 0.00 O ATOM 1330 CG2 THR A 85 11.566 -6.805 43.771 1.00 0.00 C ATOM 0 H THR A 85 9.573 -4.844 42.653 1.00 0.00 H new ATOM 0 HA THR A 85 8.985 -7.325 43.934 1.00 0.00 H new ATOM 0 HB THR A 85 10.640 -6.403 45.651 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.803 -4.505 44.917 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.576 -6.630 44.141 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.342 -7.871 43.820 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.495 -6.466 42.738 1.00 0.00 H new ATOM 1338 N ILE A 86 7.206 -4.963 44.827 1.00 0.00 N ATOM 1339 CA ILE A 86 6.211 -4.457 45.764 1.00 0.00 C ATOM 1340 C ILE A 86 4.810 -4.519 45.164 1.00 0.00 C ATOM 1341 O ILE A 86 4.637 -4.406 43.950 1.00 0.00 O ATOM 1342 CB ILE A 86 6.515 -3.006 46.179 1.00 0.00 C ATOM 1343 CG1 ILE A 86 8.006 -2.706 46.010 1.00 0.00 C ATOM 1344 CG2 ILE A 86 6.081 -2.764 47.617 1.00 0.00 C ATOM 1345 CD1 ILE A 86 8.418 -1.358 46.560 1.00 0.00 C ATOM 0 H ILE A 86 7.105 -4.613 43.874 1.00 0.00 H new ATOM 0 HA ILE A 86 6.255 -5.095 46.646 1.00 0.00 H new ATOM 0 HB ILE A 86 5.952 -2.333 45.532 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.584 -3.485 46.508 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.259 -2.750 44.951 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.303 -1.734 47.895 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.010 -2.942 47.709 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.619 -3.442 48.279 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.487 -1.213 46.406 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.867 -0.571 46.045 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.197 -1.317 47.627 1.00 0.00 H new ATOM 1357 N PHE A 87 3.812 -4.698 46.023 1.00 0.00 N ATOM 1358 CA PHE A 87 2.425 -4.774 45.579 1.00 0.00 C ATOM 1359 C PHE A 87 1.467 -4.586 46.752 1.00 0.00 C ATOM 1360 O PHE A 87 0.744 -3.592 46.822 1.00 0.00 O ATOM 1361 CB PHE A 87 2.158 -6.119 44.899 1.00 0.00 C ATOM 1362 CG PHE A 87 1.928 -6.007 43.419 1.00 0.00 C ATOM 1363 CD1 PHE A 87 0.777 -5.414 42.926 1.00 0.00 C ATOM 1364 CD2 PHE A 87 2.863 -6.496 42.520 1.00 0.00 C ATOM 1365 CE1 PHE A 87 0.563 -5.309 41.565 1.00 0.00 C ATOM 1366 CE2 PHE A 87 2.654 -6.394 41.158 1.00 0.00 C ATOM 1367 CZ PHE A 87 1.502 -5.801 40.680 1.00 0.00 C ATOM 0 H PHE A 87 3.938 -4.793 47.031 1.00 0.00 H new ATOM 0 HA PHE A 87 2.255 -3.971 44.861 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.005 -6.782 45.078 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.286 -6.583 45.360 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.038 -5.029 43.614 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.765 -6.962 42.888 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.338 -4.843 41.194 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.391 -6.778 40.468 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.336 -5.722 39.616 1.00 0.00 H new