USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=18 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 28 SER OG : rot 180:sc= -0.0155 USER MOD Set 1.2: A 30 HIS : no HD1:sc= -3.19 K(o=-3.2,f=-4!) USER MOD Set 2.1: A 12 CYS SG : rot -168:sc= -1.48! USER MOD Set 2.2: A 17 CYS SG : rot 142:sc= 0.0635 USER MOD Set 2.3: A 19 THR OG1 : rot 56:sc= 1.23 USER MOD Set 2.4: A 60 CYS SG : rot 69:sc= -0.0525 USER MOD Set 2.5: A 63 HIS : no HD1:sc= -0.666 X(o=-0.91,f=-0.54) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.658 F(o=-1.4!,f=-0.66) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.563 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc=-0.00968 X(o=-0.0097,f=-0.22) USER MOD Single : A 26 ASN : amide:sc= 0.0108 X(o=0.011,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 139:sc= -0.324 (180deg=-1.22!) USER MOD Single : A 50 ASN : amide:sc= -0.616 X(o=-0.62,f=-1) USER MOD Single : A 55 LYS NZ :NH3+ -168:sc= -0.0195 (180deg=-0.175) USER MOD Single : A 56 HIS : no HE2:sc= -1.38 K(o=-1.4,f=-2.7!) USER MOD Single : A 57 THR OG1 : rot 160:sc= 0 USER MOD Single : A 61 SER OG : rot 33:sc= 0.387! USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 136:sc=-0.00947 (180deg=-0.125) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N ASN A 11 -5.520 1.384 32.088 1.00 0.00 N ATOM 112 CA ASN A 11 -5.753 1.248 33.521 1.00 0.00 C ATOM 113 C ASN A 11 -4.801 0.224 34.132 1.00 0.00 C ATOM 114 O ASN A 11 -4.524 -0.817 33.535 1.00 0.00 O ATOM 115 CB ASN A 11 -7.202 0.835 33.787 1.00 0.00 C ATOM 116 CG ASN A 11 -7.782 0.001 32.661 1.00 0.00 C ATOM 117 OD1 ASN A 11 -7.971 0.621 31.502 1.00 0.00 O flip ATOM 118 ND2 ASN A 11 -8.055 -1.187 32.831 1.00 0.00 N flip ATOM 0 HA ASN A 11 -5.567 2.216 33.987 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.250 0.269 34.717 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.812 1.728 33.925 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.893 -1.623 33.739 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.443 -1.736 32.064 1.00 0.00 H new ATOM 125 N CYS A 12 -4.303 0.527 35.326 1.00 0.00 N ATOM 126 CA CYS A 12 -3.382 -0.366 36.020 1.00 0.00 C ATOM 127 C CYS A 12 -3.884 -1.806 35.977 1.00 0.00 C ATOM 128 O CYS A 12 -5.035 -2.083 36.314 1.00 0.00 O ATOM 129 CB CYS A 12 -3.202 0.080 37.472 1.00 0.00 C ATOM 130 SG CYS A 12 -2.192 -1.053 38.478 1.00 0.00 S ATOM 0 H CYS A 12 -4.522 1.384 35.834 1.00 0.00 H new ATOM 0 HA CYS A 12 -2.419 -0.320 35.511 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.741 1.068 37.483 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.184 0.182 37.934 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.310 -0.740 39.734 1.00 0.00 H new ATOM 135 N ALA A 13 -3.013 -2.719 35.560 1.00 0.00 N ATOM 136 CA ALA A 13 -3.367 -4.130 35.475 1.00 0.00 C ATOM 137 C ALA A 13 -3.554 -4.734 36.863 1.00 0.00 C ATOM 138 O ALA A 13 -4.464 -5.531 37.086 1.00 0.00 O ATOM 139 CB ALA A 13 -2.302 -4.896 34.704 1.00 0.00 C ATOM 0 H ALA A 13 -2.057 -2.506 35.276 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.314 -4.210 34.942 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.580 -5.949 34.648 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.219 -4.489 33.696 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.344 -4.800 35.214 1.00 0.00 H new ATOM 145 N ALA A 14 -2.686 -4.348 37.793 1.00 0.00 N ATOM 146 CA ALA A 14 -2.757 -4.851 39.159 1.00 0.00 C ATOM 147 C ALA A 14 -4.205 -5.001 39.614 1.00 0.00 C ATOM 148 O ALA A 14 -4.965 -4.033 39.630 1.00 0.00 O ATOM 149 CB ALA A 14 -2.000 -3.927 40.101 1.00 0.00 C ATOM 0 H ALA A 14 -1.926 -3.689 37.625 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.292 -5.837 39.182 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.061 -4.315 41.118 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.955 -3.873 39.796 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.441 -2.931 40.065 1.00 0.00 H new ATOM 155 N ALA A 15 -4.581 -6.222 39.983 1.00 0.00 N ATOM 156 CA ALA A 15 -5.937 -6.498 40.440 1.00 0.00 C ATOM 157 C ALA A 15 -6.125 -6.074 41.892 1.00 0.00 C ATOM 158 O ALA A 15 -5.759 -6.802 42.814 1.00 0.00 O ATOM 159 CB ALA A 15 -6.258 -7.976 40.274 1.00 0.00 C ATOM 0 H ALA A 15 -3.965 -7.035 39.974 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.626 -5.916 39.828 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.274 -8.169 40.619 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.174 -8.251 39.223 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.557 -8.569 40.861 1.00 0.00 H new ATOM 165 N GLY A 16 -6.697 -4.890 42.089 1.00 0.00 N ATOM 166 CA GLY A 16 -6.923 -4.389 43.432 1.00 0.00 C ATOM 167 C GLY A 16 -6.111 -3.144 43.730 1.00 0.00 C ATOM 168 O GLY A 16 -5.590 -2.983 44.834 1.00 0.00 O ATOM 0 H GLY A 16 -7.008 -4.269 41.342 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.983 -4.168 43.560 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.670 -5.166 44.154 1.00 0.00 H new ATOM 172 N CYS A 17 -6.001 -2.260 42.743 1.00 0.00 N ATOM 173 CA CYS A 17 -5.246 -1.024 42.904 1.00 0.00 C ATOM 174 C CYS A 17 -6.062 0.177 42.436 1.00 0.00 C ATOM 175 O CYS A 17 -6.538 0.971 43.247 1.00 0.00 O ATOM 176 CB CYS A 17 -3.933 -1.099 42.121 1.00 0.00 C ATOM 177 SG CYS A 17 -3.071 0.498 41.960 1.00 0.00 S ATOM 0 H CYS A 17 -6.426 -2.378 41.823 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.023 -0.899 43.964 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.269 -1.810 42.613 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.138 -1.491 41.125 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.788 0.311 42.060 1.00 0.00 H new ATOM 182 N ALA A 18 -6.220 0.303 41.122 1.00 0.00 N ATOM 183 CA ALA A 18 -6.981 1.405 40.546 1.00 0.00 C ATOM 184 C ALA A 18 -6.133 2.670 40.458 1.00 0.00 C ATOM 185 O ALA A 18 -5.671 3.192 41.473 1.00 0.00 O ATOM 186 CB ALA A 18 -8.236 1.665 41.365 1.00 0.00 C ATOM 0 H ALA A 18 -5.831 -0.345 40.437 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.273 1.123 39.534 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.794 2.490 40.923 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.857 0.770 41.373 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.957 1.922 42.387 1.00 0.00 H new ATOM 192 N THR A 19 -5.932 3.158 39.238 1.00 0.00 N ATOM 193 CA THR A 19 -5.139 4.360 39.017 1.00 0.00 C ATOM 194 C THR A 19 -5.245 4.831 37.571 1.00 0.00 C ATOM 195 O THR A 19 -5.066 4.049 36.637 1.00 0.00 O ATOM 196 CB THR A 19 -3.656 4.126 39.361 1.00 0.00 C ATOM 197 OG1 THR A 19 -3.423 4.408 40.745 1.00 0.00 O ATOM 198 CG2 THR A 19 -2.756 5.001 38.501 1.00 0.00 C ATOM 0 H THR A 19 -6.308 2.739 38.388 1.00 0.00 H new ATOM 0 HA THR A 19 -5.541 5.129 39.677 1.00 0.00 H new ATOM 0 HB THR A 19 -3.420 3.081 39.159 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.024 3.864 41.295 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.714 4.818 38.762 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.914 4.762 37.449 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.995 6.050 38.675 1.00 0.00 H new ATOM 206 N THR A 20 -5.537 6.116 37.392 1.00 0.00 N ATOM 207 CA THR A 20 -5.668 6.692 36.060 1.00 0.00 C ATOM 208 C THR A 20 -5.087 8.100 36.010 1.00 0.00 C ATOM 209 O THR A 20 -3.903 8.284 35.723 1.00 0.00 O ATOM 210 CB THR A 20 -7.141 6.740 35.611 1.00 0.00 C ATOM 211 OG1 THR A 20 -7.927 7.435 36.585 1.00 0.00 O ATOM 212 CG2 THR A 20 -7.693 5.337 35.413 1.00 0.00 C ATOM 0 H THR A 20 -5.687 6.777 38.154 1.00 0.00 H new ATOM 0 HA THR A 20 -5.110 6.048 35.381 1.00 0.00 H new ATOM 0 HB THR A 20 -7.191 7.269 34.660 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.862 7.463 36.292 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.734 5.397 35.096 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.111 4.821 34.650 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.630 4.786 36.351 1.00 0.00 H new ATOM 220 N TYR A 21 -5.925 9.091 36.291 1.00 0.00 N ATOM 221 CA TYR A 21 -5.494 10.484 36.276 1.00 0.00 C ATOM 222 C TYR A 21 -5.916 11.198 37.556 1.00 0.00 C ATOM 223 O TYR A 21 -6.823 10.754 38.258 1.00 0.00 O ATOM 224 CB TYR A 21 -6.076 11.207 35.060 1.00 0.00 C ATOM 225 CG TYR A 21 -5.230 12.365 34.582 1.00 0.00 C ATOM 226 CD1 TYR A 21 -5.347 13.622 35.163 1.00 0.00 C ATOM 227 CD2 TYR A 21 -4.315 12.204 33.549 1.00 0.00 C ATOM 228 CE1 TYR A 21 -4.577 14.684 34.729 1.00 0.00 C ATOM 229 CE2 TYR A 21 -3.539 13.259 33.110 1.00 0.00 C ATOM 230 CZ TYR A 21 -3.674 14.497 33.703 1.00 0.00 C ATOM 231 OH TYR A 21 -2.904 15.552 33.267 1.00 0.00 O ATOM 0 H TYR A 21 -6.907 8.956 36.532 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.406 10.501 36.214 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.193 10.493 34.245 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.072 11.574 35.308 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.052 13.771 35.968 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.209 11.237 33.081 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.681 15.655 35.190 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.831 13.115 32.307 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.320 15.252 32.540 1.00 0.00 H new ATOM 241 N ASN A 22 -5.249 12.309 37.853 1.00 0.00 N ATOM 242 CA ASN A 22 -5.554 13.087 39.049 1.00 0.00 C ATOM 243 C ASN A 22 -4.806 14.417 39.038 1.00 0.00 C ATOM 244 O ASN A 22 -4.339 14.871 37.993 1.00 0.00 O ATOM 245 CB ASN A 22 -5.188 12.294 40.305 1.00 0.00 C ATOM 246 CG ASN A 22 -6.306 12.286 41.330 1.00 0.00 C ATOM 247 OD1 ASN A 22 -6.982 13.295 41.534 1.00 0.00 O ATOM 248 ND2 ASN A 22 -6.505 11.146 41.980 1.00 0.00 N ATOM 0 H ASN A 22 -4.494 12.691 37.283 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.624 13.292 39.056 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.947 11.268 40.026 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.291 12.722 40.753 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.243 11.081 42.681 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.920 10.335 41.778 1.00 0.00 H new ATOM 313 N ASN A 26 -0.166 11.772 39.442 1.00 0.00 N ATOM 314 CA ASN A 26 0.861 11.988 38.430 1.00 0.00 C ATOM 315 C ASN A 26 1.731 10.745 38.264 1.00 0.00 C ATOM 316 O ASN A 26 2.889 10.837 37.854 1.00 0.00 O ATOM 317 CB ASN A 26 1.732 13.188 38.806 1.00 0.00 C ATOM 318 CG ASN A 26 1.242 14.478 38.177 1.00 0.00 C ATOM 319 OD1 ASN A 26 2.017 15.224 37.579 1.00 0.00 O ATOM 320 ND2 ASN A 26 -0.052 14.746 38.310 1.00 0.00 N ATOM 0 HA ASN A 26 0.364 12.191 37.481 1.00 0.00 H new ATOM 0 HB2 ASN A 26 1.746 13.298 39.890 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.759 13.001 38.492 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.440 15.599 37.908 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.658 14.098 38.814 1.00 0.00 H new ATOM 327 N ILE A 27 1.166 9.587 38.585 1.00 0.00 N ATOM 328 CA ILE A 27 1.889 8.326 38.469 1.00 0.00 C ATOM 329 C ILE A 27 2.258 8.035 37.019 1.00 0.00 C ATOM 330 O ILE A 27 1.483 8.310 36.103 1.00 0.00 O ATOM 331 CB ILE A 27 1.063 7.151 39.024 1.00 0.00 C ATOM 332 CG1 ILE A 27 1.371 6.937 40.507 1.00 0.00 C ATOM 333 CG2 ILE A 27 1.347 5.884 38.231 1.00 0.00 C ATOM 334 CD1 ILE A 27 0.447 5.946 41.179 1.00 0.00 C ATOM 0 H ILE A 27 0.210 9.495 38.928 1.00 0.00 H new ATOM 0 HA ILE A 27 2.800 8.429 39.059 1.00 0.00 H new ATOM 0 HB ILE A 27 0.005 7.391 38.923 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.399 6.590 40.610 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.304 7.893 41.025 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.756 5.062 38.635 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.082 6.042 37.186 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.407 5.639 38.304 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.724 5.844 42.228 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.581 6.301 41.108 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.531 4.978 40.686 1.00 0.00 H new ATOM 346 N SER A 28 3.446 7.474 36.817 1.00 0.00 N ATOM 347 CA SER A 28 3.919 7.147 35.477 1.00 0.00 C ATOM 348 C SER A 28 3.282 5.854 34.977 1.00 0.00 C ATOM 349 O SER A 28 2.476 5.235 35.673 1.00 0.00 O ATOM 350 CB SER A 28 5.443 7.013 35.470 1.00 0.00 C ATOM 351 OG SER A 28 5.867 5.959 36.317 1.00 0.00 O ATOM 0 H SER A 28 4.098 7.237 37.564 1.00 0.00 H new ATOM 0 HA SER A 28 3.629 7.957 34.808 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.790 6.829 34.453 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.895 7.950 35.796 1.00 0.00 H new ATOM 0 HG SER A 28 6.845 5.893 36.293 1.00 0.00 H new ATOM 357 N PHE A 29 3.649 5.451 33.765 1.00 0.00 N ATOM 358 CA PHE A 29 3.113 4.233 33.170 1.00 0.00 C ATOM 359 C PHE A 29 4.231 3.377 32.583 1.00 0.00 C ATOM 360 O PHE A 29 4.836 3.733 31.571 1.00 0.00 O ATOM 361 CB PHE A 29 2.094 4.577 32.081 1.00 0.00 C ATOM 362 CG PHE A 29 2.683 5.338 30.928 1.00 0.00 C ATOM 363 CD1 PHE A 29 2.856 6.710 31.002 1.00 0.00 C ATOM 364 CD2 PHE A 29 3.064 4.680 29.769 1.00 0.00 C ATOM 365 CE1 PHE A 29 3.398 7.414 29.943 1.00 0.00 C ATOM 366 CE2 PHE A 29 3.607 5.378 28.707 1.00 0.00 C ATOM 367 CZ PHE A 29 3.773 6.747 28.793 1.00 0.00 C ATOM 0 H PHE A 29 4.315 5.950 33.176 1.00 0.00 H new ATOM 0 HA PHE A 29 2.617 3.663 33.955 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.648 3.655 31.708 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.289 5.165 32.521 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.564 7.237 31.898 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.935 3.610 29.695 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.528 8.484 30.015 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.902 4.854 27.810 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.195 7.294 27.963 1.00 0.00 H new ATOM 377 N HIS A 30 4.502 2.245 33.226 1.00 0.00 N ATOM 378 CA HIS A 30 5.548 1.337 32.768 1.00 0.00 C ATOM 379 C HIS A 30 4.957 -0.006 32.351 1.00 0.00 C ATOM 380 O HIS A 30 4.686 -0.864 33.191 1.00 0.00 O ATOM 381 CB HIS A 30 6.589 1.130 33.869 1.00 0.00 C ATOM 382 CG HIS A 30 7.419 2.346 34.146 1.00 0.00 C ATOM 383 ND1 HIS A 30 8.429 2.774 33.312 1.00 0.00 N ATOM 384 CD2 HIS A 30 7.381 3.228 35.172 1.00 0.00 C ATOM 385 CE1 HIS A 30 8.979 3.865 33.813 1.00 0.00 C ATOM 386 NE2 HIS A 30 8.360 4.162 34.942 1.00 0.00 N ATOM 0 H HIS A 30 4.012 1.935 34.065 1.00 0.00 H new ATOM 0 HA HIS A 30 6.031 1.786 31.900 1.00 0.00 H new ATOM 0 HB2 HIS A 30 6.081 0.830 34.786 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.247 0.308 33.586 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.706 3.202 36.015 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.795 4.420 33.375 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.575 4.956 35.545 1.00 0.00 H new ATOM 394 N ARG A 31 4.760 -0.181 31.048 1.00 0.00 N ATOM 395 CA ARG A 31 4.199 -1.418 30.520 1.00 0.00 C ATOM 396 C ARG A 31 5.023 -2.623 30.967 1.00 0.00 C ATOM 397 O ARG A 31 6.061 -2.473 31.612 1.00 0.00 O ATOM 398 CB ARG A 31 4.141 -1.365 28.992 1.00 0.00 C ATOM 399 CG ARG A 31 5.494 -1.546 28.324 1.00 0.00 C ATOM 400 CD ARG A 31 5.806 -0.397 27.378 1.00 0.00 C ATOM 401 NE ARG A 31 5.018 -0.469 26.151 1.00 0.00 N ATOM 402 CZ ARG A 31 5.163 0.373 25.134 1.00 0.00 C ATOM 403 NH1 ARG A 31 6.061 1.346 25.197 1.00 0.00 N ATOM 404 NH2 ARG A 31 4.408 0.243 24.050 1.00 0.00 N ATOM 0 H ARG A 31 4.981 0.518 30.339 1.00 0.00 H new ATOM 0 HA ARG A 31 3.188 -1.525 30.912 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.463 -2.140 28.636 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.719 -0.408 28.686 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.271 -1.613 29.086 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.506 -2.486 27.773 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.609 0.550 27.880 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.867 -0.411 27.129 1.00 0.00 H new ATOM 0 HE ARG A 31 4.318 -1.206 26.070 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.643 1.450 26.028 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.170 1.991 24.414 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.716 -0.504 23.997 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.520 0.890 23.270 1.00 0.00 H new ATOM 418 N PHE A 32 4.553 -3.816 30.619 1.00 0.00 N ATOM 419 CA PHE A 32 5.245 -5.046 30.985 1.00 0.00 C ATOM 420 C PHE A 32 6.572 -5.166 30.242 1.00 0.00 C ATOM 421 O PHE A 32 6.770 -4.583 29.176 1.00 0.00 O ATOM 422 CB PHE A 32 4.366 -6.261 30.680 1.00 0.00 C ATOM 423 CG PHE A 32 3.320 -6.521 31.726 1.00 0.00 C ATOM 424 CD1 PHE A 32 2.404 -5.540 32.068 1.00 0.00 C ATOM 425 CD2 PHE A 32 3.253 -7.748 32.368 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.439 -5.776 33.030 1.00 0.00 C ATOM 427 CE2 PHE A 32 2.290 -7.990 33.330 1.00 0.00 C ATOM 428 CZ PHE A 32 1.384 -7.003 33.662 1.00 0.00 C ATOM 0 H PHE A 32 3.696 -3.957 30.084 1.00 0.00 H new ATOM 0 HA PHE A 32 5.450 -5.013 32.055 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.877 -6.113 29.717 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.999 -7.143 30.584 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.444 -4.579 31.577 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.961 -8.523 32.114 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.730 -5.003 33.287 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.247 -8.951 33.821 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.633 -7.190 34.415 1.00 0.00 H new ATOM 438 N PRO A 33 7.505 -5.939 30.818 1.00 0.00 N ATOM 439 CA PRO A 33 8.830 -6.153 30.229 1.00 0.00 C ATOM 440 C PRO A 33 8.770 -7.000 28.962 1.00 0.00 C ATOM 441 O PRO A 33 8.010 -7.966 28.883 1.00 0.00 O ATOM 442 CB PRO A 33 9.593 -6.893 31.331 1.00 0.00 C ATOM 443 CG PRO A 33 8.536 -7.570 32.134 1.00 0.00 C ATOM 444 CD PRO A 33 7.337 -6.664 32.089 1.00 0.00 C ATOM 0 HA PRO A 33 9.297 -5.217 29.924 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.294 -7.614 30.911 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.174 -6.203 31.943 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.300 -8.550 31.720 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.867 -7.728 33.160 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.405 -7.229 32.109 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.315 -5.983 32.940 1.00 0.00 H new ATOM 452 N LEU A 34 9.577 -6.632 27.972 1.00 0.00 N ATOM 453 CA LEU A 34 9.616 -7.359 26.708 1.00 0.00 C ATOM 454 C LEU A 34 10.310 -8.707 26.876 1.00 0.00 C ATOM 455 O LEU A 34 10.136 -9.612 26.059 1.00 0.00 O ATOM 456 CB LEU A 34 10.338 -6.530 25.643 1.00 0.00 C ATOM 457 CG LEU A 34 9.546 -5.365 25.049 1.00 0.00 C ATOM 458 CD1 LEU A 34 8.453 -4.918 26.007 1.00 0.00 C ATOM 459 CD2 LEU A 34 10.472 -4.205 24.715 1.00 0.00 C ATOM 0 H LEU A 34 10.212 -5.835 28.020 1.00 0.00 H new ATOM 0 HA LEU A 34 8.590 -7.537 26.388 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.255 -6.135 26.079 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.632 -7.195 24.831 1.00 0.00 H new ATOM 0 HG LEU A 34 9.075 -5.705 24.127 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.900 -4.088 25.567 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.772 -5.748 26.195 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.902 -4.597 26.947 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.891 -3.385 24.293 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.972 -3.866 25.622 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.217 -4.532 23.990 1.00 0.00 H new ATOM 471 N ASP A 35 11.095 -8.834 27.940 1.00 0.00 N ATOM 472 CA ASP A 35 11.813 -10.073 28.217 1.00 0.00 C ATOM 473 C ASP A 35 10.884 -11.112 28.838 1.00 0.00 C ATOM 474 O ASP A 35 9.938 -10.785 29.556 1.00 0.00 O ATOM 475 CB ASP A 35 12.994 -9.805 29.151 1.00 0.00 C ATOM 476 CG ASP A 35 14.287 -10.405 28.636 1.00 0.00 C ATOM 477 OD1 ASP A 35 14.778 -9.945 27.583 1.00 0.00 O ATOM 478 OD2 ASP A 35 14.809 -11.335 29.285 1.00 0.00 O ATOM 0 H ASP A 35 11.250 -8.094 28.625 1.00 0.00 H new ATOM 0 HA ASP A 35 12.188 -10.465 27.272 1.00 0.00 H new ATOM 0 HB2 ASP A 35 13.120 -8.729 29.274 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.774 -10.215 30.137 1.00 0.00 H new ATOM 483 N PRO A 36 11.156 -12.394 28.554 1.00 0.00 N ATOM 484 CA PRO A 36 10.356 -13.507 29.074 1.00 0.00 C ATOM 485 C PRO A 36 10.536 -13.699 30.576 1.00 0.00 C ATOM 486 O PRO A 36 9.561 -13.825 31.317 1.00 0.00 O ATOM 487 CB PRO A 36 10.897 -14.719 28.311 1.00 0.00 C ATOM 488 CG PRO A 36 12.289 -14.342 27.938 1.00 0.00 C ATOM 489 CD PRO A 36 12.267 -12.856 27.705 1.00 0.00 C ATOM 0 HA PRO A 36 9.288 -13.341 28.935 1.00 0.00 H new ATOM 0 HB2 PRO A 36 10.882 -15.616 28.931 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.295 -14.932 27.428 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.990 -14.602 28.731 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.610 -14.873 27.042 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.211 -12.391 27.990 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.097 -12.616 26.655 1.00 0.00 H new ATOM 497 N LYS A 37 11.788 -13.720 31.019 1.00 0.00 N ATOM 498 CA LYS A 37 12.097 -13.894 32.433 1.00 0.00 C ATOM 499 C LYS A 37 11.244 -12.968 33.295 1.00 0.00 C ATOM 500 O LYS A 37 10.726 -13.375 34.335 1.00 0.00 O ATOM 501 CB LYS A 37 13.582 -13.623 32.689 1.00 0.00 C ATOM 502 CG LYS A 37 14.483 -14.794 32.338 1.00 0.00 C ATOM 503 CD LYS A 37 15.425 -14.449 31.196 1.00 0.00 C ATOM 504 CE LYS A 37 16.212 -15.667 30.736 1.00 0.00 C ATOM 505 NZ LYS A 37 17.472 -15.283 30.041 1.00 0.00 N ATOM 0 H LYS A 37 12.606 -13.619 30.418 1.00 0.00 H new ATOM 0 HA LYS A 37 11.870 -14.925 32.704 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.889 -12.753 32.109 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.721 -13.371 33.740 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.063 -15.084 33.214 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.873 -15.654 32.061 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.853 -14.047 30.360 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.115 -13.668 31.515 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.448 -16.293 31.596 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.595 -16.266 30.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.979 -16.141 29.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.246 -14.707 29.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.072 -14.733 30.689 1.00 0.00 H new ATOM 519 N ARG A 38 11.102 -11.722 32.854 1.00 0.00 N ATOM 520 CA ARG A 38 10.312 -10.740 33.585 1.00 0.00 C ATOM 521 C ARG A 38 8.841 -10.819 33.186 1.00 0.00 C ATOM 522 O ARG A 38 7.961 -10.928 34.040 1.00 0.00 O ATOM 523 CB ARG A 38 10.846 -9.330 33.326 1.00 0.00 C ATOM 524 CG ARG A 38 12.360 -9.228 33.406 1.00 0.00 C ATOM 525 CD ARG A 38 12.867 -9.551 34.803 1.00 0.00 C ATOM 526 NE ARG A 38 14.047 -10.412 34.771 1.00 0.00 N ATOM 527 CZ ARG A 38 14.931 -10.484 35.760 1.00 0.00 C ATOM 528 NH1 ARG A 38 14.770 -9.750 36.852 1.00 0.00 N ATOM 529 NH2 ARG A 38 15.979 -11.291 35.657 1.00 0.00 N ATOM 0 H ARG A 38 11.524 -11.370 31.995 1.00 0.00 H new ATOM 0 HA ARG A 38 10.395 -10.963 34.649 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.520 -9.003 32.339 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.405 -8.645 34.050 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.810 -9.912 32.687 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.673 -8.222 33.128 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.108 -8.625 35.324 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.076 -10.040 35.372 1.00 0.00 H new ATOM 0 HE ARG A 38 14.200 -10.989 33.944 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.966 -9.128 36.934 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.450 -9.807 37.610 1.00 0.00 H new ATOM 0 HH21 ARG A 38 16.106 -11.857 34.818 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.657 -11.346 36.417 1.00 0.00 H new ATOM 543 N ARG A 39 8.583 -10.763 31.884 1.00 0.00 N ATOM 544 CA ARG A 39 7.219 -10.827 31.372 1.00 0.00 C ATOM 545 C ARG A 39 6.371 -11.786 32.203 1.00 0.00 C ATOM 546 O ARG A 39 5.329 -11.406 32.738 1.00 0.00 O ATOM 547 CB ARG A 39 7.222 -11.270 29.907 1.00 0.00 C ATOM 548 CG ARG A 39 5.830 -11.441 29.321 1.00 0.00 C ATOM 549 CD ARG A 39 5.784 -12.587 28.322 1.00 0.00 C ATOM 550 NE ARG A 39 5.066 -12.223 27.103 1.00 0.00 N ATOM 551 CZ ARG A 39 5.595 -11.488 26.131 1.00 0.00 C ATOM 552 NH1 ARG A 39 6.840 -11.043 26.234 1.00 0.00 N ATOM 553 NH2 ARG A 39 4.878 -11.199 25.052 1.00 0.00 N ATOM 0 H ARG A 39 9.300 -10.673 31.164 1.00 0.00 H new ATOM 0 HA ARG A 39 6.784 -9.830 31.442 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.769 -10.536 29.315 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.761 -12.213 29.822 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.116 -11.627 30.124 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.524 -10.517 28.831 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.801 -12.887 28.068 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.303 -13.450 28.782 1.00 0.00 H new ATOM 0 HE ARG A 39 4.107 -12.551 26.992 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.394 -11.265 27.061 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.243 -10.479 25.486 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.921 -11.541 24.969 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.284 -10.635 24.306 1.00 0.00 H new ATOM 567 N LYS A 40 6.823 -13.031 32.305 1.00 0.00 N ATOM 568 CA LYS A 40 6.108 -14.045 33.071 1.00 0.00 C ATOM 569 C LYS A 40 6.032 -13.661 34.545 1.00 0.00 C ATOM 570 O LYS A 40 5.046 -13.952 35.221 1.00 0.00 O ATOM 571 CB LYS A 40 6.794 -15.405 32.922 1.00 0.00 C ATOM 572 CG LYS A 40 6.974 -15.840 31.478 1.00 0.00 C ATOM 573 CD LYS A 40 5.739 -15.536 30.646 1.00 0.00 C ATOM 574 CE LYS A 40 4.513 -16.257 31.184 1.00 0.00 C ATOM 575 NZ LYS A 40 3.252 -15.713 30.609 1.00 0.00 N ATOM 0 H LYS A 40 7.682 -13.362 31.866 1.00 0.00 H new ATOM 0 HA LYS A 40 5.093 -14.112 32.678 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.770 -15.365 33.405 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.208 -16.158 33.449 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.837 -15.331 31.049 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.184 -16.909 31.443 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.558 -14.461 30.642 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.913 -15.834 29.612 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.587 -17.320 30.955 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.486 -16.166 32.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.440 -16.231 31.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.168 -14.705 30.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.266 -15.823 29.575 1.00 0.00 H new ATOM 589 N GLU A 41 7.079 -13.004 35.036 1.00 0.00 N ATOM 590 CA GLU A 41 7.128 -12.581 36.430 1.00 0.00 C ATOM 591 C GLU A 41 6.031 -11.563 36.729 1.00 0.00 C ATOM 592 O GLU A 41 5.179 -11.789 37.588 1.00 0.00 O ATOM 593 CB GLU A 41 8.498 -11.980 36.755 1.00 0.00 C ATOM 594 CG GLU A 41 9.303 -12.802 37.746 1.00 0.00 C ATOM 595 CD GLU A 41 10.684 -12.228 37.995 1.00 0.00 C ATOM 596 OE1 GLU A 41 11.486 -12.177 37.039 1.00 0.00 O ATOM 597 OE2 GLU A 41 10.963 -11.829 39.145 1.00 0.00 O ATOM 0 H GLU A 41 7.903 -12.754 34.489 1.00 0.00 H new ATOM 0 HA GLU A 41 6.965 -13.459 37.055 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.069 -11.878 35.832 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.359 -10.976 37.157 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.761 -12.858 38.690 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.399 -13.822 37.373 1.00 0.00 H new ATOM 604 N TRP A 42 6.060 -10.444 36.014 1.00 0.00 N ATOM 605 CA TRP A 42 5.068 -9.392 36.203 1.00 0.00 C ATOM 606 C TRP A 42 3.660 -9.974 36.259 1.00 0.00 C ATOM 607 O TRP A 42 2.837 -9.555 37.073 1.00 0.00 O ATOM 608 CB TRP A 42 5.163 -8.364 35.073 1.00 0.00 C ATOM 609 CG TRP A 42 6.350 -7.457 35.194 1.00 0.00 C ATOM 610 CD1 TRP A 42 7.650 -7.830 35.386 1.00 0.00 C ATOM 611 CD2 TRP A 42 6.346 -6.027 35.132 1.00 0.00 C ATOM 612 NE1 TRP A 42 8.454 -6.717 35.448 1.00 0.00 N ATOM 613 CE2 TRP A 42 7.678 -5.599 35.294 1.00 0.00 C ATOM 614 CE3 TRP A 42 5.347 -5.067 34.954 1.00 0.00 C ATOM 615 CZ2 TRP A 42 8.033 -4.253 35.283 1.00 0.00 C ATOM 616 CZ3 TRP A 42 5.701 -3.731 34.944 1.00 0.00 C ATOM 617 CH2 TRP A 42 7.035 -3.334 35.107 1.00 0.00 C ATOM 0 H TRP A 42 6.759 -10.242 35.299 1.00 0.00 H new ATOM 0 HA TRP A 42 5.275 -8.899 37.153 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.211 -8.888 34.118 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.254 -7.762 35.062 1.00 0.00 H new ATOM 0 HD1 TRP A 42 7.995 -8.849 35.476 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.465 -6.723 35.586 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.316 -5.363 34.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.060 -3.945 35.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.937 -2.980 34.808 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.280 -2.282 35.093 1.00 0.00 H new ATOM 628 N VAL A 43 3.389 -10.942 35.390 1.00 0.00 N ATOM 629 CA VAL A 43 2.080 -11.583 35.342 1.00 0.00 C ATOM 630 C VAL A 43 1.901 -12.553 36.504 1.00 0.00 C ATOM 631 O VAL A 43 0.789 -12.749 36.997 1.00 0.00 O ATOM 632 CB VAL A 43 1.875 -12.342 34.018 1.00 0.00 C ATOM 633 CG1 VAL A 43 0.426 -12.782 33.873 1.00 0.00 C ATOM 634 CG2 VAL A 43 2.299 -11.480 32.838 1.00 0.00 C ATOM 0 H VAL A 43 4.059 -11.300 34.709 1.00 0.00 H new ATOM 0 HA VAL A 43 1.336 -10.790 35.416 1.00 0.00 H new ATOM 0 HB VAL A 43 2.501 -13.234 34.031 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.301 -13.317 32.931 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.161 -13.439 34.701 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.223 -11.906 33.882 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.147 -12.032 31.911 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.701 -10.569 32.820 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.353 -11.220 32.937 1.00 0.00 H new ATOM 644 N ARG A 44 3.002 -13.158 36.939 1.00 0.00 N ATOM 645 CA ARG A 44 2.966 -14.108 38.043 1.00 0.00 C ATOM 646 C ARG A 44 2.814 -13.385 39.378 1.00 0.00 C ATOM 647 O ARG A 44 2.292 -13.945 40.344 1.00 0.00 O ATOM 648 CB ARG A 44 4.238 -14.958 38.054 1.00 0.00 C ATOM 649 CG ARG A 44 4.760 -15.255 39.450 1.00 0.00 C ATOM 650 CD ARG A 44 3.780 -16.105 40.243 1.00 0.00 C ATOM 651 NE ARG A 44 4.279 -17.460 40.457 1.00 0.00 N ATOM 652 CZ ARG A 44 3.516 -18.469 40.865 1.00 0.00 C ATOM 653 NH1 ARG A 44 2.226 -18.275 41.101 1.00 0.00 N ATOM 654 NH2 ARG A 44 4.044 -19.674 41.036 1.00 0.00 N ATOM 0 H ARG A 44 3.930 -13.007 36.543 1.00 0.00 H new ATOM 0 HA ARG A 44 2.103 -14.759 37.901 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.040 -15.899 37.541 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.014 -14.443 37.487 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.717 -15.772 39.379 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.942 -14.319 39.978 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.588 -15.633 41.207 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.828 -16.149 39.714 1.00 0.00 H new ATOM 0 HE ARG A 44 5.267 -17.643 40.284 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.817 -17.350 40.970 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.642 -19.051 41.414 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.036 -19.827 40.854 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.458 -20.448 41.349 1.00 0.00 H new ATOM 668 N LEU A 45 3.272 -12.139 39.426 1.00 0.00 N ATOM 669 CA LEU A 45 3.187 -11.339 40.643 1.00 0.00 C ATOM 670 C LEU A 45 1.834 -10.643 40.743 1.00 0.00 C ATOM 671 O LEU A 45 1.379 -10.303 41.836 1.00 0.00 O ATOM 672 CB LEU A 45 4.311 -10.301 40.673 1.00 0.00 C ATOM 673 CG LEU A 45 5.726 -10.849 40.861 1.00 0.00 C ATOM 674 CD1 LEU A 45 6.742 -9.951 40.174 1.00 0.00 C ATOM 675 CD2 LEU A 45 6.051 -10.990 42.341 1.00 0.00 C ATOM 0 H LEU A 45 3.706 -11.661 38.636 1.00 0.00 H new ATOM 0 HA LEU A 45 3.295 -12.008 41.497 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.282 -9.737 39.741 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.106 -9.596 41.479 1.00 0.00 H new ATOM 0 HG LEU A 45 5.776 -11.837 40.403 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.743 -10.357 40.319 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.521 -9.901 39.108 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.691 -8.950 40.602 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.062 -11.381 42.456 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.982 -10.015 42.823 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.342 -11.675 42.806 1.00 0.00 H new ATOM 687 N VAL A 46 1.194 -10.435 39.597 1.00 0.00 N ATOM 688 CA VAL A 46 -0.109 -9.783 39.556 1.00 0.00 C ATOM 689 C VAL A 46 -1.236 -10.809 39.502 1.00 0.00 C ATOM 690 O VAL A 46 -2.350 -10.547 39.955 1.00 0.00 O ATOM 691 CB VAL A 46 -0.228 -8.842 38.343 1.00 0.00 C ATOM 692 CG1 VAL A 46 -0.057 -9.618 37.046 1.00 0.00 C ATOM 693 CG2 VAL A 46 -1.562 -8.111 38.364 1.00 0.00 C ATOM 0 H VAL A 46 1.557 -10.709 38.684 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.198 -9.197 40.471 1.00 0.00 H new ATOM 0 HB VAL A 46 0.568 -8.100 38.402 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.144 -8.936 36.200 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.925 -10.091 37.031 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.829 -10.384 36.976 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.629 -7.450 37.499 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.375 -8.836 38.330 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.640 -7.522 39.278 1.00 0.00 H new ATOM 703 N ARG A 47 -0.938 -11.978 38.944 1.00 0.00 N ATOM 704 CA ARG A 47 -1.926 -13.044 38.830 1.00 0.00 C ATOM 705 C ARG A 47 -3.037 -12.653 37.860 1.00 0.00 C ATOM 706 O ARG A 47 -3.116 -13.176 36.748 1.00 0.00 O ATOM 707 CB ARG A 47 -2.522 -13.366 40.202 1.00 0.00 C ATOM 708 CG ARG A 47 -2.393 -14.829 40.593 1.00 0.00 C ATOM 709 CD ARG A 47 -3.751 -15.511 40.652 1.00 0.00 C ATOM 710 NE ARG A 47 -3.647 -16.899 41.092 1.00 0.00 N ATOM 711 CZ ARG A 47 -4.668 -17.750 41.088 1.00 0.00 C ATOM 712 NH1 ARG A 47 -5.862 -17.355 40.669 1.00 0.00 N ATOM 713 NH2 ARG A 47 -4.495 -18.998 41.505 1.00 0.00 N ATOM 0 H ARG A 47 -0.021 -12.211 38.564 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.424 -13.931 38.443 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.029 -12.752 40.956 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.576 -13.089 40.205 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.757 -15.344 39.874 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.904 -14.906 41.564 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.403 -14.963 41.332 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.217 -15.477 39.667 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.741 -17.234 41.420 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.999 -16.396 40.349 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.644 -18.010 40.667 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.578 -19.305 41.829 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.279 -19.650 41.502 1.00 0.00 H new ATOM 727 N ARG A 48 -3.894 -11.732 38.289 1.00 0.00 N ATOM 728 CA ARG A 48 -5.001 -11.273 37.460 1.00 0.00 C ATOM 729 C ARG A 48 -5.562 -12.416 36.619 1.00 0.00 C ATOM 730 O ARG A 48 -6.015 -12.210 35.494 1.00 0.00 O ATOM 731 CB ARG A 48 -4.545 -10.132 36.549 1.00 0.00 C ATOM 732 CG ARG A 48 -5.301 -8.833 36.774 1.00 0.00 C ATOM 733 CD ARG A 48 -5.492 -8.066 35.475 1.00 0.00 C ATOM 734 NE ARG A 48 -6.902 -7.950 35.111 1.00 0.00 N ATOM 735 CZ ARG A 48 -7.321 -7.573 33.908 1.00 0.00 C ATOM 736 NH1 ARG A 48 -6.444 -7.276 32.959 1.00 0.00 N ATOM 737 NH2 ARG A 48 -8.621 -7.491 33.653 1.00 0.00 N ATOM 0 H ARG A 48 -3.842 -11.289 39.206 1.00 0.00 H new ATOM 0 HA ARG A 48 -5.789 -10.910 38.120 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.481 -9.955 36.707 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.666 -10.438 35.510 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.274 -9.049 37.216 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.757 -8.213 37.487 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.060 -7.070 35.575 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.951 -8.569 34.674 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.603 -8.170 35.819 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.444 -7.337 33.151 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.769 -6.987 32.036 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.299 -7.717 34.381 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.942 -7.201 32.729 1.00 0.00 H new ATOM 751 N LYS A 49 -5.527 -13.623 37.174 1.00 0.00 N ATOM 752 CA LYS A 49 -6.031 -14.801 36.477 1.00 0.00 C ATOM 753 C LYS A 49 -5.187 -15.107 35.244 1.00 0.00 C ATOM 754 O LYS A 49 -4.004 -14.774 35.192 1.00 0.00 O ATOM 755 CB LYS A 49 -7.491 -14.591 36.070 1.00 0.00 C ATOM 756 CG LYS A 49 -8.306 -13.826 37.099 1.00 0.00 C ATOM 757 CD LYS A 49 -8.345 -14.554 38.432 1.00 0.00 C ATOM 758 CE LYS A 49 -9.550 -14.136 39.261 1.00 0.00 C ATOM 759 NZ LYS A 49 -10.825 -14.304 38.510 1.00 0.00 N ATOM 0 H LYS A 49 -5.155 -13.811 38.105 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.968 -15.650 37.158 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.521 -14.053 35.122 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.955 -15.562 35.900 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.878 -12.833 37.238 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.322 -13.687 36.729 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.376 -15.630 38.259 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.430 -14.347 38.988 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.586 -14.729 40.175 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.440 -13.094 39.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.553 -14.691 39.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.138 -13.381 38.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.676 -14.957 37.715 1.00 0.00 H new ATOM 773 N ASN A 50 -5.804 -15.741 34.253 1.00 0.00 N ATOM 774 CA ASN A 50 -5.109 -16.091 33.019 1.00 0.00 C ATOM 775 C ASN A 50 -4.946 -14.868 32.122 1.00 0.00 C ATOM 776 O ASN A 50 -5.302 -14.897 30.943 1.00 0.00 O ATOM 777 CB ASN A 50 -5.872 -17.187 32.273 1.00 0.00 C ATOM 778 CG ASN A 50 -5.170 -17.615 30.998 1.00 0.00 C ATOM 779 OD1 ASN A 50 -3.941 -17.660 30.938 1.00 0.00 O ATOM 780 ND2 ASN A 50 -5.950 -17.930 29.971 1.00 0.00 N ATOM 0 H ASN A 50 -6.784 -16.023 34.280 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.118 -16.462 33.281 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.992 -18.051 32.926 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.873 -16.829 32.031 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.535 -18.224 29.087 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.964 -17.878 30.066 1.00 0.00 H new ATOM 787 N PHE A 51 -4.404 -13.794 32.687 1.00 0.00 N ATOM 788 CA PHE A 51 -4.194 -12.560 31.938 1.00 0.00 C ATOM 789 C PHE A 51 -2.829 -12.564 31.256 1.00 0.00 C ATOM 790 O PHE A 51 -1.931 -13.312 31.644 1.00 0.00 O ATOM 791 CB PHE A 51 -4.309 -11.350 32.866 1.00 0.00 C ATOM 792 CG PHE A 51 -3.224 -10.332 32.662 1.00 0.00 C ATOM 793 CD1 PHE A 51 -3.259 -9.470 31.578 1.00 0.00 C ATOM 794 CD2 PHE A 51 -2.168 -10.238 33.555 1.00 0.00 C ATOM 795 CE1 PHE A 51 -2.261 -8.532 31.388 1.00 0.00 C ATOM 796 CE2 PHE A 51 -1.168 -9.302 33.370 1.00 0.00 C ATOM 797 CZ PHE A 51 -1.214 -8.449 32.284 1.00 0.00 C ATOM 0 H PHE A 51 -4.102 -13.753 33.661 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.965 -12.495 31.170 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.277 -10.874 32.710 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.285 -11.692 33.901 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -4.075 -9.531 30.873 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.126 -10.903 34.405 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.301 -7.865 30.540 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.351 -9.237 34.074 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.432 -7.719 32.136 1.00 0.00 H new ATOM 807 N VAL A 52 -2.680 -11.723 30.238 1.00 0.00 N ATOM 808 CA VAL A 52 -1.425 -11.628 29.501 1.00 0.00 C ATOM 809 C VAL A 52 -1.214 -10.221 28.955 1.00 0.00 C ATOM 810 O VAL A 52 -2.159 -9.522 28.587 1.00 0.00 O ATOM 811 CB VAL A 52 -1.382 -12.632 28.334 1.00 0.00 C ATOM 812 CG1 VAL A 52 -0.916 -11.948 27.058 1.00 0.00 C ATOM 813 CG2 VAL A 52 -0.482 -13.809 28.677 1.00 0.00 C ATOM 0 H VAL A 52 -3.413 -11.097 29.904 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.626 -11.865 30.204 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.390 -13.012 28.167 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.892 -12.673 26.244 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.604 -11.142 26.805 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.083 -11.538 27.209 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.463 -14.508 27.841 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.528 -13.450 28.872 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.865 -14.314 29.564 1.00 0.00 H new ATOM 823 N PRO A 53 0.056 -9.792 28.900 1.00 0.00 N ATOM 824 CA PRO A 53 0.422 -8.464 28.399 1.00 0.00 C ATOM 825 C PRO A 53 0.209 -8.333 26.894 1.00 0.00 C ATOM 826 O PRO A 53 1.135 -8.526 26.108 1.00 0.00 O ATOM 827 CB PRO A 53 1.910 -8.354 28.740 1.00 0.00 C ATOM 828 CG PRO A 53 2.390 -9.763 28.803 1.00 0.00 C ATOM 829 CD PRO A 53 1.232 -10.571 29.322 1.00 0.00 C ATOM 0 HA PRO A 53 -0.190 -7.678 28.842 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.449 -7.786 27.982 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.062 -7.841 29.690 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.701 -10.114 27.819 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.254 -9.852 29.461 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.221 -11.576 28.899 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.273 -10.682 30.406 1.00 0.00 H new ATOM 837 N GLY A 54 -1.017 -8.003 26.501 1.00 0.00 N ATOM 838 CA GLY A 54 -1.329 -7.852 25.092 1.00 0.00 C ATOM 839 C GLY A 54 -1.973 -6.516 24.781 1.00 0.00 C ATOM 840 O GLY A 54 -1.488 -5.766 23.933 1.00 0.00 O ATOM 0 H GLY A 54 -1.800 -7.837 27.133 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.415 -7.956 24.507 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.998 -8.655 24.783 1.00 0.00 H new ATOM 844 N LYS A 55 -3.072 -6.217 25.466 1.00 0.00 N ATOM 845 CA LYS A 55 -3.785 -4.962 25.260 1.00 0.00 C ATOM 846 C LYS A 55 -3.221 -3.862 26.153 1.00 0.00 C ATOM 847 O LYS A 55 -2.175 -4.032 26.779 1.00 0.00 O ATOM 848 CB LYS A 55 -5.278 -5.148 25.542 1.00 0.00 C ATOM 849 CG LYS A 55 -6.130 -5.219 24.286 1.00 0.00 C ATOM 850 CD LYS A 55 -6.793 -3.885 23.986 1.00 0.00 C ATOM 851 CE LYS A 55 -7.664 -3.964 22.742 1.00 0.00 C ATOM 852 NZ LYS A 55 -6.867 -4.284 21.525 1.00 0.00 N ATOM 0 H LYS A 55 -3.488 -6.827 26.169 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.652 -4.664 24.220 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.419 -6.062 26.119 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.628 -4.323 26.162 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.509 -5.516 23.441 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.894 -5.987 24.406 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.400 -3.579 24.838 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.029 -3.120 23.849 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.431 -4.725 22.884 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.180 -3.014 22.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.450 -4.130 20.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.030 -3.667 21.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.563 -5.278 21.560 1.00 0.00 H new ATOM 866 N HIS A 56 -3.923 -2.734 26.209 1.00 0.00 N ATOM 867 CA HIS A 56 -3.493 -1.606 27.029 1.00 0.00 C ATOM 868 C HIS A 56 -3.338 -2.023 28.488 1.00 0.00 C ATOM 869 O HIS A 56 -4.245 -1.833 29.299 1.00 0.00 O ATOM 870 CB HIS A 56 -4.495 -0.457 26.918 1.00 0.00 C ATOM 871 CG HIS A 56 -5.916 -0.912 26.789 1.00 0.00 C ATOM 872 ND1 HIS A 56 -6.387 -2.078 27.355 1.00 0.00 N ATOM 873 CD2 HIS A 56 -6.972 -0.349 26.156 1.00 0.00 C ATOM 874 CE1 HIS A 56 -7.671 -2.213 27.074 1.00 0.00 C ATOM 875 NE2 HIS A 56 -8.050 -1.177 26.348 1.00 0.00 N ATOM 0 H HIS A 56 -4.791 -2.577 25.697 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.524 -1.269 26.661 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -4.404 0.179 27.798 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.238 0.156 26.054 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -5.831 -2.733 27.904 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -6.967 0.579 25.603 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -8.303 -3.032 27.385 1.00 0.00 H new ATOM 883 N THR A 57 -2.183 -2.594 28.816 1.00 0.00 N ATOM 884 CA THR A 57 -1.909 -3.039 30.177 1.00 0.00 C ATOM 885 C THR A 57 -0.602 -2.451 30.696 1.00 0.00 C ATOM 886 O THR A 57 0.444 -2.582 30.061 1.00 0.00 O ATOM 887 CB THR A 57 -1.838 -4.575 30.261 1.00 0.00 C ATOM 888 OG1 THR A 57 -3.154 -5.133 30.182 1.00 0.00 O ATOM 889 CG2 THR A 57 -1.172 -5.016 31.556 1.00 0.00 C ATOM 0 H THR A 57 -1.422 -2.759 28.157 1.00 0.00 H new ATOM 0 HA THR A 57 -2.733 -2.686 30.797 1.00 0.00 H new ATOM 0 HB THR A 57 -1.241 -4.934 29.423 1.00 0.00 H new ATOM 0 HG1 THR A 57 -3.095 -6.074 29.916 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.133 -6.105 31.593 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.159 -4.615 31.599 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.746 -4.644 32.405 1.00 0.00 H new ATOM 897 N PHE A 58 -0.669 -1.804 31.854 1.00 0.00 N ATOM 898 CA PHE A 58 0.511 -1.195 32.459 1.00 0.00 C ATOM 899 C PHE A 58 0.464 -1.313 33.979 1.00 0.00 C ATOM 900 O PHE A 58 -0.541 -1.738 34.550 1.00 0.00 O ATOM 901 CB PHE A 58 0.616 0.277 32.053 1.00 0.00 C ATOM 902 CG PHE A 58 0.144 1.227 33.116 1.00 0.00 C ATOM 903 CD1 PHE A 58 -1.208 1.469 33.297 1.00 0.00 C ATOM 904 CD2 PHE A 58 1.053 1.879 33.934 1.00 0.00 C ATOM 905 CE1 PHE A 58 -1.646 2.342 34.274 1.00 0.00 C ATOM 906 CE2 PHE A 58 0.621 2.753 34.913 1.00 0.00 C ATOM 907 CZ PHE A 58 -0.730 2.986 35.083 1.00 0.00 C ATOM 0 H PHE A 58 -1.527 -1.687 32.393 1.00 0.00 H new ATOM 0 HA PHE A 58 1.391 -1.728 32.098 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.653 0.505 31.808 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.032 0.438 31.147 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.928 0.969 32.667 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.111 1.702 33.805 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.703 2.521 34.405 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.339 3.254 35.545 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.069 3.670 35.847 1.00 0.00 H new ATOM 917 N LEU A 59 1.559 -0.933 34.630 1.00 0.00 N ATOM 918 CA LEU A 59 1.645 -0.996 36.084 1.00 0.00 C ATOM 919 C LEU A 59 2.144 0.326 36.658 1.00 0.00 C ATOM 920 O LEU A 59 3.096 0.917 36.147 1.00 0.00 O ATOM 921 CB LEU A 59 2.575 -2.134 36.511 1.00 0.00 C ATOM 922 CG LEU A 59 1.971 -3.539 36.488 1.00 0.00 C ATOM 923 CD1 LEU A 59 2.843 -4.507 37.273 1.00 0.00 C ATOM 924 CD2 LEU A 59 0.556 -3.520 37.047 1.00 0.00 C ATOM 0 H LEU A 59 2.399 -0.578 34.173 1.00 0.00 H new ATOM 0 HA LEU A 59 0.645 -1.186 36.474 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.449 -2.125 35.860 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.928 -1.928 37.522 1.00 0.00 H new ATOM 0 HG LEU A 59 1.927 -3.878 35.453 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.398 -5.502 37.246 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.838 -4.542 36.829 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.919 -4.172 38.307 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.142 -4.528 37.023 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.576 -3.160 38.076 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.065 -2.858 36.443 1.00 0.00 H new ATOM 936 N CYS A 60 1.497 0.784 37.724 1.00 0.00 N ATOM 937 CA CYS A 60 1.875 2.035 38.370 1.00 0.00 C ATOM 938 C CYS A 60 3.328 1.992 38.832 1.00 0.00 C ATOM 939 O CYS A 60 3.927 0.921 38.931 1.00 0.00 O ATOM 940 CB CYS A 60 0.957 2.316 39.561 1.00 0.00 C ATOM 941 SG CYS A 60 -0.819 2.174 39.182 1.00 0.00 S ATOM 0 H CYS A 60 0.707 0.307 38.159 1.00 0.00 H new ATOM 0 HA CYS A 60 1.768 2.838 37.641 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.202 1.623 40.366 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.159 3.321 39.932 1.00 0.00 H new ATOM 0 HG CYS A 60 -1.116 0.929 38.955 1.00 0.00 H new ATOM 946 N SER A 61 3.889 3.163 39.114 1.00 0.00 N ATOM 947 CA SER A 61 5.274 3.260 39.562 1.00 0.00 C ATOM 948 C SER A 61 5.355 3.223 41.085 1.00 0.00 C ATOM 949 O SER A 61 6.443 3.188 41.660 1.00 0.00 O ATOM 950 CB SER A 61 5.914 4.546 39.036 1.00 0.00 C ATOM 951 OG SER A 61 6.648 5.203 40.054 1.00 0.00 O ATOM 0 H SER A 61 3.406 4.058 39.040 1.00 0.00 H new ATOM 0 HA SER A 61 5.820 2.404 39.165 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.574 4.312 38.201 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.140 5.212 38.654 1.00 0.00 H new ATOM 0 HG SER A 61 7.036 4.537 40.659 1.00 0.00 H new ATOM 957 N LYS A 62 4.195 3.233 41.734 1.00 0.00 N ATOM 958 CA LYS A 62 4.132 3.199 43.190 1.00 0.00 C ATOM 959 C LYS A 62 4.484 1.812 43.718 1.00 0.00 C ATOM 960 O LYS A 62 5.029 1.674 44.814 1.00 0.00 O ATOM 961 CB LYS A 62 2.736 3.601 43.670 1.00 0.00 C ATOM 962 CG LYS A 62 1.822 2.418 43.941 1.00 0.00 C ATOM 963 CD LYS A 62 0.365 2.769 43.691 1.00 0.00 C ATOM 964 CE LYS A 62 -0.260 3.449 44.899 1.00 0.00 C ATOM 965 NZ LYS A 62 -1.589 4.038 44.578 1.00 0.00 N ATOM 0 H LYS A 62 3.285 3.264 41.274 1.00 0.00 H new ATOM 0 HA LYS A 62 4.861 3.911 43.577 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.830 4.193 44.581 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.274 4.242 42.920 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.110 1.582 43.304 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.946 2.090 44.973 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.292 3.426 42.824 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.193 1.863 43.453 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.369 2.726 45.707 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.407 4.232 45.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.982 4.492 45.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.482 4.747 43.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.233 3.287 44.258 1.00 0.00 H new ATOM 979 N HIS A 63 4.170 0.788 42.932 1.00 0.00 N ATOM 980 CA HIS A 63 4.455 -0.589 43.321 1.00 0.00 C ATOM 981 C HIS A 63 5.956 -0.811 43.474 1.00 0.00 C ATOM 982 O HIS A 63 6.420 -1.298 44.505 1.00 0.00 O ATOM 983 CB HIS A 63 3.887 -1.561 42.286 1.00 0.00 C ATOM 984 CG HIS A 63 2.428 -1.362 42.014 1.00 0.00 C ATOM 985 ND1 HIS A 63 1.441 -1.699 42.917 1.00 0.00 N ATOM 986 CD2 HIS A 63 1.789 -0.856 40.934 1.00 0.00 C ATOM 987 CE1 HIS A 63 0.259 -1.410 42.403 1.00 0.00 C ATOM 988 NE2 HIS A 63 0.443 -0.896 41.200 1.00 0.00 N ATOM 0 H HIS A 63 3.718 0.885 42.023 1.00 0.00 H new ATOM 0 HA HIS A 63 3.978 -0.775 44.284 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.440 -1.450 41.353 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.048 -2.582 42.632 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.252 -0.489 40.030 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.695 -1.567 42.884 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.295 -0.580 40.571 1.00 0.00 H new ATOM 996 N PHE A 64 6.711 -0.450 42.441 1.00 0.00 N ATOM 997 CA PHE A 64 8.161 -0.611 42.461 1.00 0.00 C ATOM 998 C PHE A 64 8.804 0.375 43.431 1.00 0.00 C ATOM 999 O PHE A 64 8.115 1.154 44.088 1.00 0.00 O ATOM 1000 CB PHE A 64 8.736 -0.412 41.057 1.00 0.00 C ATOM 1001 CG PHE A 64 8.167 -1.355 40.036 1.00 0.00 C ATOM 1002 CD1 PHE A 64 6.972 -1.066 39.396 1.00 0.00 C ATOM 1003 CD2 PHE A 64 8.827 -2.531 39.716 1.00 0.00 C ATOM 1004 CE1 PHE A 64 6.446 -1.933 38.457 1.00 0.00 C ATOM 1005 CE2 PHE A 64 8.305 -3.402 38.778 1.00 0.00 C ATOM 1006 CZ PHE A 64 7.114 -3.102 38.147 1.00 0.00 C ATOM 0 H PHE A 64 6.343 -0.044 41.580 1.00 0.00 H new ATOM 0 HA PHE A 64 8.385 -1.623 42.798 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.547 0.613 40.738 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.818 -0.540 41.095 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.446 -0.153 39.634 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.760 -2.770 40.205 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.514 -1.697 37.966 1.00 0.00 H new ATOM 0 HE2 PHE A 64 8.828 -4.316 38.539 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.705 -3.780 37.412 1.00 0.00 H new ATOM 1016 N GLU A 65 10.130 0.333 43.515 1.00 0.00 N ATOM 1017 CA GLU A 65 10.867 1.221 44.406 1.00 0.00 C ATOM 1018 C GLU A 65 11.615 2.290 43.614 1.00 0.00 C ATOM 1019 O GLU A 65 11.041 3.310 43.234 1.00 0.00 O ATOM 1020 CB GLU A 65 11.853 0.421 45.260 1.00 0.00 C ATOM 1021 CG GLU A 65 11.203 -0.291 46.434 1.00 0.00 C ATOM 1022 CD GLU A 65 11.741 0.180 47.772 1.00 0.00 C ATOM 1023 OE1 GLU A 65 12.915 0.602 47.823 1.00 0.00 O ATOM 1024 OE2 GLU A 65 10.988 0.126 48.767 1.00 0.00 O ATOM 0 H GLU A 65 10.715 -0.306 42.977 1.00 0.00 H new ATOM 0 HA GLU A 65 10.148 1.714 45.060 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.352 -0.316 44.630 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.624 1.094 45.636 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.126 -0.128 46.402 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.366 -1.365 46.339 1.00 0.00 H new ATOM 1031 N ALA A 66 12.898 2.047 43.368 1.00 0.00 N ATOM 1032 CA ALA A 66 13.724 2.986 42.620 1.00 0.00 C ATOM 1033 C ALA A 66 14.915 2.281 41.981 1.00 0.00 C ATOM 1034 O ALA A 66 15.268 2.555 40.833 1.00 0.00 O ATOM 1035 CB ALA A 66 14.199 4.111 43.528 1.00 0.00 C ATOM 0 H ALA A 66 13.388 1.207 43.676 1.00 0.00 H new ATOM 0 HA ALA A 66 13.115 3.411 41.822 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.815 4.805 42.956 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.337 4.640 43.933 1.00 0.00 H new ATOM 0 HB3 ALA A 66 14.786 3.695 44.346 1.00 0.00 H new ATOM 1041 N SER A 67 15.532 1.373 42.730 1.00 0.00 N ATOM 1042 CA SER A 67 16.687 0.632 42.237 1.00 0.00 C ATOM 1043 C SER A 67 16.323 -0.180 40.998 1.00 0.00 C ATOM 1044 O SER A 67 17.196 -0.722 40.319 1.00 0.00 O ATOM 1045 CB SER A 67 17.228 -0.295 43.328 1.00 0.00 C ATOM 1046 OG SER A 67 17.733 0.448 44.424 1.00 0.00 O ATOM 0 H SER A 67 15.251 1.133 43.681 1.00 0.00 H new ATOM 0 HA SER A 67 17.460 1.351 41.965 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.435 -0.961 43.670 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.017 -0.924 42.917 1.00 0.00 H new ATOM 0 HG SER A 67 18.071 -0.167 45.108 1.00 0.00 H new ATOM 1052 N CYS A 68 15.029 -0.260 40.710 1.00 0.00 N ATOM 1053 CA CYS A 68 14.548 -1.007 39.553 1.00 0.00 C ATOM 1054 C CYS A 68 14.451 -0.105 38.327 1.00 0.00 C ATOM 1055 O CYS A 68 14.062 -0.549 37.246 1.00 0.00 O ATOM 1056 CB CYS A 68 13.183 -1.629 39.853 1.00 0.00 C ATOM 1057 SG CYS A 68 13.259 -3.114 40.882 1.00 0.00 S ATOM 0 H CYS A 68 14.294 0.183 41.261 1.00 0.00 H new ATOM 0 HA CYS A 68 15.263 -1.802 39.341 1.00 0.00 H new ATOM 0 HB2 CYS A 68 12.559 -0.887 40.351 1.00 0.00 H new ATOM 0 HB3 CYS A 68 12.694 -1.877 38.911 1.00 0.00 H new ATOM 0 HG CYS A 68 12.056 -3.565 41.082 1.00 0.00 H new ATOM 1063 N PHE A 69 14.805 1.163 38.501 1.00 0.00 N ATOM 1064 CA PHE A 69 14.755 2.128 37.410 1.00 0.00 C ATOM 1065 C PHE A 69 16.159 2.590 37.028 1.00 0.00 C ATOM 1066 O PHE A 69 17.151 2.124 37.588 1.00 0.00 O ATOM 1067 CB PHE A 69 13.899 3.334 37.804 1.00 0.00 C ATOM 1068 CG PHE A 69 12.482 2.975 38.149 1.00 0.00 C ATOM 1069 CD1 PHE A 69 12.175 2.412 39.377 1.00 0.00 C ATOM 1070 CD2 PHE A 69 11.457 3.202 37.245 1.00 0.00 C ATOM 1071 CE1 PHE A 69 10.872 2.080 39.696 1.00 0.00 C ATOM 1072 CE2 PHE A 69 10.151 2.873 37.559 1.00 0.00 C ATOM 1073 CZ PHE A 69 9.859 2.312 38.787 1.00 0.00 C ATOM 0 H PHE A 69 15.130 1.547 39.388 1.00 0.00 H new ATOM 0 HA PHE A 69 14.304 1.639 36.547 1.00 0.00 H new ATOM 0 HB2 PHE A 69 14.358 3.832 38.658 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.894 4.050 36.982 1.00 0.00 H new ATOM 0 HD1 PHE A 69 12.963 2.231 40.093 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.680 3.641 36.284 1.00 0.00 H new ATOM 0 HE1 PHE A 69 10.646 1.639 40.656 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.361 3.054 36.845 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.840 2.055 39.036 1.00 0.00 H new ATOM 1083 N ASP A 70 16.233 3.509 36.071 1.00 0.00 N ATOM 1084 CA ASP A 70 17.514 4.035 35.614 1.00 0.00 C ATOM 1085 C ASP A 70 17.792 5.401 36.234 1.00 0.00 C ATOM 1086 O ASP A 70 17.642 6.434 35.579 1.00 0.00 O ATOM 1087 CB ASP A 70 17.530 4.141 34.088 1.00 0.00 C ATOM 1088 CG ASP A 70 18.852 3.699 33.492 1.00 0.00 C ATOM 1089 OD1 ASP A 70 19.634 3.038 34.207 1.00 0.00 O ATOM 1090 OD2 ASP A 70 19.106 4.016 32.310 1.00 0.00 O ATOM 0 H ASP A 70 15.421 3.905 35.597 1.00 0.00 H new ATOM 0 HA ASP A 70 18.297 3.346 35.931 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.726 3.531 33.676 1.00 0.00 H new ATOM 0 HB3 ASP A 70 17.329 5.172 33.796 1.00 0.00 H new ATOM 1095 N LEU A 71 18.198 5.399 37.499 1.00 0.00 N ATOM 1096 CA LEU A 71 18.497 6.639 38.208 1.00 0.00 C ATOM 1097 C LEU A 71 19.934 7.079 37.952 1.00 0.00 C ATOM 1098 O LEU A 71 20.205 8.261 37.736 1.00 0.00 O ATOM 1099 CB LEU A 71 18.266 6.458 39.709 1.00 0.00 C ATOM 1100 CG LEU A 71 17.152 5.488 40.105 1.00 0.00 C ATOM 1101 CD1 LEU A 71 16.028 5.520 39.082 1.00 0.00 C ATOM 1102 CD2 LEU A 71 17.702 4.077 40.253 1.00 0.00 C ATOM 0 H LEU A 71 18.328 4.554 38.055 1.00 0.00 H new ATOM 0 HA LEU A 71 17.828 7.414 37.834 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.197 6.115 40.161 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.042 7.433 40.142 1.00 0.00 H new ATOM 0 HG LEU A 71 16.748 5.802 41.067 1.00 0.00 H new ATOM 0 HD11 LEU A 71 15.244 4.824 39.380 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.616 6.527 39.026 1.00 0.00 H new ATOM 0 HD13 LEU A 71 16.417 5.232 38.105 1.00 0.00 H new ATOM 0 HD21 LEU A 71 16.896 3.400 40.535 1.00 0.00 H new ATOM 0 HD22 LEU A 71 18.133 3.753 39.306 1.00 0.00 H new ATOM 0 HD23 LEU A 71 18.472 4.066 41.025 1.00 0.00 H new ATOM 1152 N THR A 75 17.388 9.939 33.543 1.00 0.00 N ATOM 1153 CA THR A 75 15.975 9.956 33.900 1.00 0.00 C ATOM 1154 C THR A 75 15.540 8.618 34.488 1.00 0.00 C ATOM 1155 O THR A 75 15.983 7.560 34.040 1.00 0.00 O ATOM 1156 CB THR A 75 15.091 10.279 32.680 1.00 0.00 C ATOM 1157 OG1 THR A 75 13.756 9.813 32.905 1.00 0.00 O ATOM 1158 CG2 THR A 75 15.652 9.637 31.420 1.00 0.00 C ATOM 0 HA THR A 75 15.848 10.738 34.649 1.00 0.00 H new ATOM 0 HB THR A 75 15.080 11.360 32.544 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.200 10.024 32.126 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.011 9.879 30.572 1.00 0.00 H new ATOM 0 HG22 THR A 75 16.657 10.016 31.235 1.00 0.00 H new ATOM 0 HG23 THR A 75 15.690 8.555 31.549 1.00 0.00 H new ATOM 1166 N ARG A 76 14.671 8.672 35.492 1.00 0.00 N ATOM 1167 CA ARG A 76 14.177 7.464 36.141 1.00 0.00 C ATOM 1168 C ARG A 76 13.365 6.616 35.166 1.00 0.00 C ATOM 1169 O ARG A 76 12.178 6.865 34.951 1.00 0.00 O ATOM 1170 CB ARG A 76 13.321 7.825 37.355 1.00 0.00 C ATOM 1171 CG ARG A 76 13.464 6.852 38.514 1.00 0.00 C ATOM 1172 CD ARG A 76 12.155 6.690 39.271 1.00 0.00 C ATOM 1173 NE ARG A 76 11.283 7.850 39.110 1.00 0.00 N ATOM 1174 CZ ARG A 76 11.559 9.052 39.604 1.00 0.00 C ATOM 1175 NH1 ARG A 76 12.679 9.250 40.286 1.00 0.00 N ATOM 1176 NH2 ARG A 76 10.715 10.059 39.415 1.00 0.00 N ATOM 0 H ARG A 76 14.295 9.540 35.874 1.00 0.00 H new ATOM 0 HA ARG A 76 15.037 6.882 36.472 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.592 8.824 37.695 1.00 0.00 H new ATOM 0 HB3 ARG A 76 12.275 7.864 37.052 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.790 5.882 38.138 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.238 7.207 39.195 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.640 5.797 38.917 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.365 6.538 40.330 1.00 0.00 H new ATOM 0 HE ARG A 76 10.414 7.731 38.589 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.330 8.479 40.432 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.889 10.174 40.664 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.853 9.910 38.890 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.928 10.981 39.795 1.00 0.00 H new ATOM 1190 N ARG A 77 14.012 5.615 34.579 1.00 0.00 N ATOM 1191 CA ARG A 77 13.351 4.732 33.626 1.00 0.00 C ATOM 1192 C ARG A 77 13.312 3.299 34.149 1.00 0.00 C ATOM 1193 O ARG A 77 14.336 2.747 34.555 1.00 0.00 O ATOM 1194 CB ARG A 77 14.068 4.775 32.275 1.00 0.00 C ATOM 1195 CG ARG A 77 14.038 6.142 31.613 1.00 0.00 C ATOM 1196 CD ARG A 77 14.061 6.027 30.096 1.00 0.00 C ATOM 1197 NE ARG A 77 14.080 7.335 29.448 1.00 0.00 N ATOM 1198 CZ ARG A 77 13.026 8.141 29.388 1.00 0.00 C ATOM 1199 NH1 ARG A 77 11.875 7.775 29.934 1.00 0.00 N ATOM 1200 NH2 ARG A 77 13.122 9.317 28.781 1.00 0.00 N ATOM 0 H ARG A 77 14.994 5.395 34.747 1.00 0.00 H new ATOM 0 HA ARG A 77 12.326 5.081 33.496 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.105 4.471 32.414 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.609 4.047 31.606 1.00 0.00 H new ATOM 0 HG2 ARG A 77 13.142 6.679 31.925 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.894 6.728 31.948 1.00 0.00 H new ATOM 0 HD2 ARG A 77 14.938 5.458 29.789 1.00 0.00 H new ATOM 0 HD3 ARG A 77 13.186 5.469 29.761 1.00 0.00 H new ATOM 0 HE ARG A 77 14.951 7.647 29.018 1.00 0.00 H new ATOM 0 HH11 ARG A 77 11.797 6.872 30.402 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.067 8.396 29.886 1.00 0.00 H new ATOM 0 HH21 ARG A 77 14.006 9.603 28.360 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.312 9.935 28.736 1.00 0.00 H new ATOM 1214 N LEU A 78 12.125 2.702 34.136 1.00 0.00 N ATOM 1215 CA LEU A 78 11.953 1.333 34.609 1.00 0.00 C ATOM 1216 C LEU A 78 12.816 0.366 33.805 1.00 0.00 C ATOM 1217 O LEU A 78 12.574 0.138 32.620 1.00 0.00 O ATOM 1218 CB LEU A 78 10.482 0.921 34.514 1.00 0.00 C ATOM 1219 CG LEU A 78 10.098 -0.367 35.241 1.00 0.00 C ATOM 1220 CD1 LEU A 78 11.067 -1.486 34.894 1.00 0.00 C ATOM 1221 CD2 LEU A 78 10.060 -0.140 36.745 1.00 0.00 C ATOM 0 H LEU A 78 11.268 3.144 33.803 1.00 0.00 H new ATOM 0 HA LEU A 78 12.269 1.293 35.651 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.872 1.733 34.909 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.223 0.811 33.461 1.00 0.00 H new ATOM 0 HG LEU A 78 9.101 -0.662 34.913 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.777 -2.395 35.421 1.00 0.00 H new ATOM 0 HD12 LEU A 78 11.044 -1.667 33.819 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.075 -1.200 35.192 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.785 -1.068 37.246 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.043 0.181 37.090 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.325 0.630 36.978 1.00 0.00 H new ATOM 1233 N LYS A 79 13.824 -0.202 34.459 1.00 0.00 N ATOM 1234 CA LYS A 79 14.722 -1.148 33.808 1.00 0.00 C ATOM 1235 C LYS A 79 13.940 -2.293 33.172 1.00 0.00 C ATOM 1236 O LYS A 79 13.041 -2.862 33.791 1.00 0.00 O ATOM 1237 CB LYS A 79 15.730 -1.704 34.817 1.00 0.00 C ATOM 1238 CG LYS A 79 16.998 -0.876 34.929 1.00 0.00 C ATOM 1239 CD LYS A 79 17.918 -1.408 36.014 1.00 0.00 C ATOM 1240 CE LYS A 79 18.107 -2.913 35.896 1.00 0.00 C ATOM 1241 NZ LYS A 79 18.617 -3.304 34.553 1.00 0.00 N ATOM 0 H LYS A 79 14.039 -0.023 35.440 1.00 0.00 H new ATOM 0 HA LYS A 79 15.259 -0.617 33.022 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.256 -1.762 35.797 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.995 -2.722 34.530 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.521 -0.880 33.973 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.739 0.160 35.146 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.886 -0.912 35.947 1.00 0.00 H new ATOM 0 HD3 LYS A 79 17.504 -1.168 36.993 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.804 -3.253 36.662 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.157 -3.414 36.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.373 -4.010 34.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.841 -3.711 33.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.993 -2.465 34.067 1.00 0.00 H new ATOM 1255 N MET A 80 14.288 -2.626 31.934 1.00 0.00 N ATOM 1256 CA MET A 80 13.620 -3.705 31.216 1.00 0.00 C ATOM 1257 C MET A 80 13.743 -5.022 31.976 1.00 0.00 C ATOM 1258 O MET A 80 12.998 -5.968 31.722 1.00 0.00 O ATOM 1259 CB MET A 80 14.210 -3.856 29.813 1.00 0.00 C ATOM 1260 CG MET A 80 14.537 -2.530 29.146 1.00 0.00 C ATOM 1261 SD MET A 80 13.891 -2.419 27.466 1.00 0.00 S ATOM 1262 CE MET A 80 13.668 -0.649 27.305 1.00 0.00 C ATOM 0 H MET A 80 15.029 -2.164 31.407 1.00 0.00 H new ATOM 0 HA MET A 80 12.563 -3.451 31.132 1.00 0.00 H new ATOM 0 HB2 MET A 80 15.117 -4.457 29.872 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.505 -4.404 29.188 1.00 0.00 H new ATOM 0 HG2 MET A 80 14.126 -1.716 29.744 1.00 0.00 H new ATOM 0 HG3 MET A 80 15.618 -2.395 29.125 1.00 0.00 H new ATOM 0 HE1 MET A 80 13.273 -0.421 26.315 1.00 0.00 H new ATOM 0 HE2 MET A 80 12.969 -0.300 28.065 1.00 0.00 H new ATOM 0 HE3 MET A 80 14.627 -0.148 27.437 1.00 0.00 H new ATOM 1272 N ASP A 81 14.688 -5.075 32.909 1.00 0.00 N ATOM 1273 CA ASP A 81 14.908 -6.276 33.706 1.00 0.00 C ATOM 1274 C ASP A 81 14.508 -6.043 35.160 1.00 0.00 C ATOM 1275 O ASP A 81 15.039 -6.680 36.069 1.00 0.00 O ATOM 1276 CB ASP A 81 16.375 -6.703 33.630 1.00 0.00 C ATOM 1277 CG ASP A 81 16.793 -7.088 32.224 1.00 0.00 C ATOM 1278 OD1 ASP A 81 16.090 -7.910 31.601 1.00 0.00 O ATOM 1279 OD2 ASP A 81 17.824 -6.569 31.748 1.00 0.00 O ATOM 0 H ASP A 81 15.313 -4.301 33.132 1.00 0.00 H new ATOM 0 HA ASP A 81 14.285 -7.072 33.299 1.00 0.00 H new ATOM 0 HB2 ASP A 81 17.007 -5.888 33.984 1.00 0.00 H new ATOM 0 HB3 ASP A 81 16.540 -7.547 34.299 1.00 0.00 H new ATOM 1284 N ALA A 82 13.570 -5.126 35.371 1.00 0.00 N ATOM 1285 CA ALA A 82 13.099 -4.810 36.713 1.00 0.00 C ATOM 1286 C ALA A 82 11.701 -5.372 36.951 1.00 0.00 C ATOM 1287 O ALA A 82 10.774 -5.102 36.187 1.00 0.00 O ATOM 1288 CB ALA A 82 13.109 -3.305 36.936 1.00 0.00 C ATOM 0 H ALA A 82 13.121 -4.589 34.629 1.00 0.00 H new ATOM 0 HA ALA A 82 13.777 -5.277 37.428 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.755 -3.084 37.943 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.124 -2.926 36.817 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.455 -2.825 36.208 1.00 0.00 H new ATOM 1294 N VAL A 83 11.557 -6.156 38.015 1.00 0.00 N ATOM 1295 CA VAL A 83 10.272 -6.756 38.353 1.00 0.00 C ATOM 1296 C VAL A 83 9.736 -6.201 39.668 1.00 0.00 C ATOM 1297 O VAL A 83 10.489 -5.795 40.553 1.00 0.00 O ATOM 1298 CB VAL A 83 10.379 -8.289 38.461 1.00 0.00 C ATOM 1299 CG1 VAL A 83 9.780 -8.954 37.232 1.00 0.00 C ATOM 1300 CG2 VAL A 83 11.829 -8.709 38.652 1.00 0.00 C ATOM 0 H VAL A 83 12.314 -6.390 38.657 1.00 0.00 H new ATOM 0 HA VAL A 83 9.583 -6.504 37.547 1.00 0.00 H new ATOM 0 HB VAL A 83 9.812 -8.615 39.333 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.865 -10.037 37.326 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.729 -8.678 37.145 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.316 -8.624 36.342 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.886 -9.795 38.726 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.421 -8.372 37.801 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.220 -8.262 39.566 1.00 0.00 H new ATOM 1310 N PRO A 84 8.401 -6.184 39.803 1.00 0.00 N ATOM 1311 CA PRO A 84 7.733 -5.682 41.007 1.00 0.00 C ATOM 1312 C PRO A 84 7.940 -6.598 42.209 1.00 0.00 C ATOM 1313 O PRO A 84 7.098 -7.445 42.510 1.00 0.00 O ATOM 1314 CB PRO A 84 6.256 -5.650 40.607 1.00 0.00 C ATOM 1315 CG PRO A 84 6.134 -6.673 39.531 1.00 0.00 C ATOM 1316 CD PRO A 84 7.441 -6.653 38.789 1.00 0.00 C ATOM 0 HA PRO A 84 8.125 -4.713 41.317 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.611 -5.887 41.453 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.964 -4.663 40.250 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.939 -7.660 39.951 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.303 -6.441 38.864 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.705 -7.641 38.413 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.405 -5.984 37.929 1.00 0.00 H new ATOM 1324 N THR A 85 9.066 -6.423 42.894 1.00 0.00 N ATOM 1325 CA THR A 85 9.384 -7.234 44.062 1.00 0.00 C ATOM 1326 C THR A 85 8.761 -6.649 45.324 1.00 0.00 C ATOM 1327 O THR A 85 9.368 -6.670 46.395 1.00 0.00 O ATOM 1328 CB THR A 85 10.906 -7.357 44.264 1.00 0.00 C ATOM 1329 OG1 THR A 85 11.457 -6.083 44.617 1.00 0.00 O ATOM 1330 CG2 THR A 85 11.579 -7.875 43.002 1.00 0.00 C ATOM 0 H THR A 85 9.773 -5.726 42.659 1.00 0.00 H new ATOM 0 HA THR A 85 8.968 -8.225 43.881 1.00 0.00 H new ATOM 0 HB THR A 85 11.088 -8.067 45.071 1.00 0.00 H new ATOM 0 HG1 THR A 85 12.425 -6.169 44.746 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.653 -7.954 43.169 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.178 -8.857 42.753 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.389 -7.186 42.179 1.00 0.00 H new ATOM 1338 N ILE A 86 7.546 -6.127 45.191 1.00 0.00 N ATOM 1339 CA ILE A 86 6.841 -5.537 46.322 1.00 0.00 C ATOM 1340 C ILE A 86 5.331 -5.676 46.162 1.00 0.00 C ATOM 1341 O ILE A 86 4.686 -6.437 46.884 1.00 0.00 O ATOM 1342 CB ILE A 86 7.192 -4.047 46.490 1.00 0.00 C ATOM 1343 CG1 ILE A 86 8.682 -3.819 46.226 1.00 0.00 C ATOM 1344 CG2 ILE A 86 6.817 -3.568 47.884 1.00 0.00 C ATOM 1345 CD1 ILE A 86 9.064 -2.358 46.138 1.00 0.00 C ATOM 0 H ILE A 86 7.030 -6.101 44.312 1.00 0.00 H new ATOM 0 HA ILE A 86 7.162 -6.080 47.211 1.00 0.00 H new ATOM 0 HB ILE A 86 6.620 -3.470 45.763 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.260 -4.290 47.021 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.958 -4.315 45.295 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.071 -2.513 47.987 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.746 -3.700 48.038 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.365 -4.147 48.627 1.00 0.00 H new ATOM 0 HD11 ILE A 86 10.134 -2.272 45.950 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.513 -1.886 45.324 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.820 -1.861 47.077 1.00 0.00 H new ATOM 1357 N PHE A 87 4.772 -4.937 45.209 1.00 0.00 N ATOM 1358 CA PHE A 87 3.337 -4.979 44.952 1.00 0.00 C ATOM 1359 C PHE A 87 2.548 -4.714 46.230 1.00 0.00 C ATOM 1360 O PHE A 87 2.124 -5.645 46.916 1.00 0.00 O ATOM 1361 CB PHE A 87 2.941 -6.336 44.367 1.00 0.00 C ATOM 1362 CG PHE A 87 2.629 -6.288 42.898 1.00 0.00 C ATOM 1363 CD1 PHE A 87 1.652 -5.434 42.412 1.00 0.00 C ATOM 1364 CD2 PHE A 87 3.314 -7.095 42.004 1.00 0.00 C ATOM 1365 CE1 PHE A 87 1.362 -5.389 41.061 1.00 0.00 C ATOM 1366 CE2 PHE A 87 3.029 -7.053 40.652 1.00 0.00 C ATOM 1367 CZ PHE A 87 2.053 -6.198 40.180 1.00 0.00 C ATOM 0 H PHE A 87 5.291 -4.302 44.602 1.00 0.00 H new ATOM 0 HA PHE A 87 3.100 -4.197 44.230 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.751 -7.045 44.535 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.070 -6.714 44.903 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.111 -4.797 43.096 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.079 -7.765 42.368 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.596 -4.722 40.695 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.569 -7.688 39.966 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.830 -6.162 39.124 1.00 0.00 H new