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 60:sc= -0.456 USER MOD Set 1.2: A 17 CYS SG : rot -142:sc= -0.888! USER MOD Set 1.3: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 1.4: A 60 CYS SG : rot 76:sc= -2.96! USER MOD Set 1.5: A 63 HIS :FLIP no HD1:sc= -1.27 F(o=-6.4!,f=-5.6) USER MOD Single : A 11 ASN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.016) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HE2:sc= -4.3 K(o=-4.3,f=-5.8!) USER MOD Single : A 37 LYS NZ :NH3+ -158:sc= -0.0975 (180deg=-0.502) USER MOD Single : A 40 LYS NZ :NH3+ -102:sc= -0.464 (180deg=-1.63!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.22) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -5.33! C(o=-5.3!,f=-7.8!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 170:sc= 0.0595 USER MOD Single : A 62 LYS NZ :NH3+ -151:sc= -0.14 (180deg=-0.733) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= 0.0297 USER MOD Single : A 75 THR OG1 : rot -132:sc= 0.611 USER MOD Single : A 79 LYS NZ :NH3+ -147:sc= -0.368 (180deg=-1.56!) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 105:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 111 N ASN A 11 -6.660 0.510 32.753 1.00 0.00 N ATOM 112 CA ASN A 11 -6.555 0.471 34.207 1.00 0.00 C ATOM 113 C ASN A 11 -5.211 -0.106 34.641 1.00 0.00 C ATOM 114 O ASN A 11 -4.346 -0.386 33.810 1.00 0.00 O ATOM 115 CB ASN A 11 -7.695 -0.362 34.799 1.00 0.00 C ATOM 116 CG ASN A 11 -9.061 0.157 34.393 1.00 0.00 C ATOM 117 OD1 ASN A 11 -9.724 0.857 35.158 1.00 0.00 O ATOM 118 ND2 ASN A 11 -9.488 -0.187 33.183 1.00 0.00 N ATOM 0 HA ASN A 11 -6.628 1.493 34.579 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.591 -1.397 34.474 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.617 -0.359 35.886 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.400 0.131 32.854 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.904 -0.769 32.583 1.00 0.00 H new ATOM 125 N CYS A 12 -5.042 -0.281 35.947 1.00 0.00 N ATOM 126 CA CYS A 12 -3.804 -0.823 36.493 1.00 0.00 C ATOM 127 C CYS A 12 -3.843 -2.349 36.516 1.00 0.00 C ATOM 128 O CYS A 12 -4.670 -2.949 37.201 1.00 0.00 O ATOM 129 CB CYS A 12 -3.566 -0.287 37.906 1.00 0.00 C ATOM 130 SG CYS A 12 -2.111 -1.000 38.737 1.00 0.00 S ATOM 0 H CYS A 12 -5.748 -0.055 36.648 1.00 0.00 H new ATOM 0 HA CYS A 12 -2.983 -0.507 35.849 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.449 0.796 37.857 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.450 -0.485 38.512 1.00 0.00 H new ATOM 0 HG CYS A 12 -1.043 -0.739 38.043 1.00 0.00 H new ATOM 135 N ALA A 13 -2.941 -2.969 35.762 1.00 0.00 N ATOM 136 CA ALA A 13 -2.870 -4.424 35.698 1.00 0.00 C ATOM 137 C ALA A 13 -3.070 -5.045 37.076 1.00 0.00 C ATOM 138 O ALA A 13 -3.759 -6.054 37.219 1.00 0.00 O ATOM 139 CB ALA A 13 -1.538 -4.862 35.108 1.00 0.00 C ATOM 0 H ALA A 13 -2.250 -2.487 35.187 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.674 -4.774 35.051 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.499 -5.950 35.066 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.435 -4.456 34.102 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.724 -4.493 35.733 1.00 0.00 H new ATOM 145 N ALA A 14 -2.462 -4.435 38.089 1.00 0.00 N ATOM 146 CA ALA A 14 -2.574 -4.928 39.456 1.00 0.00 C ATOM 147 C ALA A 14 -3.999 -5.377 39.762 1.00 0.00 C ATOM 148 O ALA A 14 -4.956 -4.641 39.525 1.00 0.00 O ATOM 149 CB ALA A 14 -2.133 -3.856 40.441 1.00 0.00 C ATOM 0 H ALA A 14 -1.887 -3.599 37.988 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.918 -5.793 39.560 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.222 -4.238 41.458 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.096 -3.586 40.244 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.765 -2.975 40.328 1.00 0.00 H new ATOM 155 N ALA A 15 -4.132 -6.590 40.289 1.00 0.00 N ATOM 156 CA ALA A 15 -5.440 -7.136 40.629 1.00 0.00 C ATOM 157 C ALA A 15 -6.300 -6.098 41.342 1.00 0.00 C ATOM 158 O ALA A 15 -7.526 -6.123 41.249 1.00 0.00 O ATOM 159 CB ALA A 15 -5.285 -8.379 41.492 1.00 0.00 C ATOM 0 H ALA A 15 -3.350 -7.213 40.490 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.943 -7.411 39.702 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.270 -8.776 41.738 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.716 -9.132 40.947 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.758 -8.121 42.410 1.00 0.00 H new ATOM 165 N GLY A 16 -5.648 -5.185 42.056 1.00 0.00 N ATOM 166 CA GLY A 16 -6.369 -4.152 42.775 1.00 0.00 C ATOM 167 C GLY A 16 -5.972 -2.756 42.338 1.00 0.00 C ATOM 168 O GLY A 16 -5.930 -2.460 41.143 1.00 0.00 O ATOM 0 H GLY A 16 -4.633 -5.143 42.149 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.440 -4.287 42.621 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.184 -4.261 43.844 1.00 0.00 H new ATOM 172 N CYS A 17 -5.682 -1.894 43.307 1.00 0.00 N ATOM 173 CA CYS A 17 -5.288 -0.521 43.017 1.00 0.00 C ATOM 174 C CYS A 17 -6.348 0.182 42.173 1.00 0.00 C ATOM 175 O CYS A 17 -7.193 -0.465 41.555 1.00 0.00 O ATOM 176 CB CYS A 17 -3.943 -0.496 42.289 1.00 0.00 C ATOM 177 SG CYS A 17 -3.555 1.097 41.495 1.00 0.00 S ATOM 0 H CYS A 17 -5.713 -2.123 44.301 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.191 0.010 43.964 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.153 -0.737 43.000 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.938 -1.278 41.530 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.965 0.882 40.357 1.00 0.00 H new ATOM 182 N ALA A 18 -6.295 1.510 42.152 1.00 0.00 N ATOM 183 CA ALA A 18 -7.248 2.300 41.383 1.00 0.00 C ATOM 184 C ALA A 18 -6.559 3.474 40.695 1.00 0.00 C ATOM 185 O ALA A 18 -6.719 4.626 41.100 1.00 0.00 O ATOM 186 CB ALA A 18 -8.369 2.798 42.284 1.00 0.00 C ATOM 0 H ALA A 18 -5.602 2.061 42.659 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.674 1.659 40.611 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.074 3.387 41.697 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.887 1.946 42.725 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.950 3.418 43.077 1.00 0.00 H new ATOM 192 N THR A 19 -5.791 3.175 39.652 1.00 0.00 N ATOM 193 CA THR A 19 -5.076 4.204 38.909 1.00 0.00 C ATOM 194 C THR A 19 -5.495 4.215 37.443 1.00 0.00 C ATOM 195 O THR A 19 -5.572 3.168 36.800 1.00 0.00 O ATOM 196 CB THR A 19 -3.552 4.002 38.994 1.00 0.00 C ATOM 197 OG1 THR A 19 -3.002 4.845 40.013 1.00 0.00 O ATOM 198 CG2 THR A 19 -2.889 4.312 37.660 1.00 0.00 C ATOM 0 H THR A 19 -5.648 2.227 39.303 1.00 0.00 H new ATOM 0 HA THR A 19 -5.334 5.160 39.365 1.00 0.00 H new ATOM 0 HB THR A 19 -3.360 2.958 39.243 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.033 4.709 40.062 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.813 4.162 37.745 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.288 3.649 36.893 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.091 5.347 37.385 1.00 0.00 H new ATOM 206 N THR A 20 -5.765 5.406 36.918 1.00 0.00 N ATOM 207 CA THR A 20 -6.176 5.554 35.528 1.00 0.00 C ATOM 208 C THR A 20 -5.456 6.721 34.862 1.00 0.00 C ATOM 209 O THR A 20 -4.372 6.555 34.301 1.00 0.00 O ATOM 210 CB THR A 20 -7.696 5.770 35.412 1.00 0.00 C ATOM 211 OG1 THR A 20 -8.201 6.356 36.617 1.00 0.00 O ATOM 212 CG2 THR A 20 -8.412 4.455 35.143 1.00 0.00 C ATOM 0 H THR A 20 -5.706 6.283 37.436 1.00 0.00 H new ATOM 0 HA THR A 20 -5.908 4.628 35.019 1.00 0.00 H new ATOM 0 HB THR A 20 -7.881 6.443 34.575 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.168 6.492 36.534 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.484 4.634 35.065 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.047 4.026 34.210 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.218 3.761 35.961 1.00 0.00 H new ATOM 220 N TYR A 21 -6.063 7.900 34.928 1.00 0.00 N ATOM 221 CA TYR A 21 -5.480 9.095 34.329 1.00 0.00 C ATOM 222 C TYR A 21 -5.346 10.211 35.360 1.00 0.00 C ATOM 223 O TYR A 21 -4.244 10.670 35.655 1.00 0.00 O ATOM 224 CB TYR A 21 -6.335 9.571 33.154 1.00 0.00 C ATOM 225 CG TYR A 21 -5.636 10.574 32.264 1.00 0.00 C ATOM 226 CD1 TYR A 21 -4.567 10.195 31.462 1.00 0.00 C ATOM 227 CD2 TYR A 21 -6.044 11.902 32.226 1.00 0.00 C ATOM 228 CE1 TYR A 21 -3.925 11.108 30.648 1.00 0.00 C ATOM 229 CE2 TYR A 21 -5.409 12.821 31.414 1.00 0.00 C ATOM 230 CZ TYR A 21 -4.350 12.420 30.627 1.00 0.00 C ATOM 231 OH TYR A 21 -3.714 13.333 29.818 1.00 0.00 O ATOM 0 H TYR A 21 -6.959 8.054 35.390 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.485 8.840 33.965 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.627 8.708 32.555 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.252 10.017 33.540 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.232 9.168 31.475 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.872 12.221 32.842 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.095 10.796 30.031 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.740 13.849 31.395 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.137 14.211 29.920 1.00 0.00 H new ATOM 241 N ASN A 22 -6.479 10.642 35.907 1.00 0.00 N ATOM 242 CA ASN A 22 -6.490 11.704 36.906 1.00 0.00 C ATOM 243 C ASN A 22 -6.014 13.022 36.303 1.00 0.00 C ATOM 244 O ASN A 22 -5.555 13.067 35.162 1.00 0.00 O ATOM 245 CB ASN A 22 -5.603 11.324 38.094 1.00 0.00 C ATOM 246 CG ASN A 22 -6.407 10.820 39.277 1.00 0.00 C ATOM 247 OD1 ASN A 22 -6.694 11.569 40.211 1.00 0.00 O ATOM 248 ND2 ASN A 22 -6.774 9.544 39.242 1.00 0.00 N ATOM 0 H ASN A 22 -7.401 10.272 35.675 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.515 11.833 37.253 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.896 10.555 37.785 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.017 12.191 38.399 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.316 9.148 40.010 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.514 8.960 38.447 1.00 0.00 H new ATOM 313 N ASN A 26 0.839 12.076 38.900 1.00 0.00 N ATOM 314 CA ASN A 26 1.982 12.184 38.000 1.00 0.00 C ATOM 315 C ASN A 26 2.650 10.827 37.804 1.00 0.00 C ATOM 316 O ASN A 26 3.657 10.716 37.104 1.00 0.00 O ATOM 317 CB ASN A 26 2.995 13.191 38.547 1.00 0.00 C ATOM 318 CG ASN A 26 2.917 14.532 37.843 1.00 0.00 C ATOM 319 OD1 ASN A 26 3.938 15.172 37.589 1.00 0.00 O ATOM 320 ND2 ASN A 26 1.702 14.962 37.524 1.00 0.00 N ATOM 0 HA ASN A 26 1.620 12.533 37.033 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.822 13.333 39.614 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.001 12.785 38.439 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.586 15.857 37.048 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.884 14.397 37.755 1.00 0.00 H new ATOM 327 N ILE A 27 2.084 9.799 38.426 1.00 0.00 N ATOM 328 CA ILE A 27 2.624 8.450 38.318 1.00 0.00 C ATOM 329 C ILE A 27 2.977 8.112 36.874 1.00 0.00 C ATOM 330 O ILE A 27 2.239 8.451 35.948 1.00 0.00 O ATOM 331 CB ILE A 27 1.629 7.401 38.850 1.00 0.00 C ATOM 332 CG1 ILE A 27 1.656 7.371 40.380 1.00 0.00 C ATOM 333 CG2 ILE A 27 1.954 6.027 38.282 1.00 0.00 C ATOM 334 CD1 ILE A 27 0.679 6.385 40.982 1.00 0.00 C ATOM 0 H ILE A 27 1.251 9.875 39.010 1.00 0.00 H new ATOM 0 HA ILE A 27 3.528 8.423 38.926 1.00 0.00 H new ATOM 0 HB ILE A 27 0.625 7.677 38.528 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.663 7.121 40.713 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.433 8.368 40.759 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.242 5.297 38.667 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.889 6.058 37.194 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.963 5.741 38.577 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.753 6.417 42.069 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.335 6.646 40.679 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.914 5.380 40.632 1.00 0.00 H new ATOM 346 N SER A 28 4.110 7.442 36.688 1.00 0.00 N ATOM 347 CA SER A 28 4.562 7.060 35.355 1.00 0.00 C ATOM 348 C SER A 28 3.880 5.774 34.898 1.00 0.00 C ATOM 349 O SER A 28 3.240 5.082 35.690 1.00 0.00 O ATOM 350 CB SER A 28 6.081 6.877 35.342 1.00 0.00 C ATOM 351 OG SER A 28 6.744 8.128 35.285 1.00 0.00 O ATOM 0 H SER A 28 4.732 7.153 37.443 1.00 0.00 H new ATOM 0 HA SER A 28 4.293 7.859 34.664 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.393 6.337 36.236 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.370 6.269 34.485 1.00 0.00 H new ATOM 0 HG SER A 28 7.713 7.985 35.279 1.00 0.00 H new ATOM 357 N PHE A 29 4.022 5.461 33.614 1.00 0.00 N ATOM 358 CA PHE A 29 3.420 4.259 33.050 1.00 0.00 C ATOM 359 C PHE A 29 4.491 3.317 32.508 1.00 0.00 C ATOM 360 O PHE A 29 5.097 3.579 31.469 1.00 0.00 O ATOM 361 CB PHE A 29 2.440 4.630 31.935 1.00 0.00 C ATOM 362 CG PHE A 29 1.424 5.657 32.346 1.00 0.00 C ATOM 363 CD1 PHE A 29 1.795 6.977 32.543 1.00 0.00 C ATOM 364 CD2 PHE A 29 0.098 5.302 32.537 1.00 0.00 C ATOM 365 CE1 PHE A 29 0.862 7.924 32.923 1.00 0.00 C ATOM 366 CE2 PHE A 29 -0.839 6.244 32.916 1.00 0.00 C ATOM 367 CZ PHE A 29 -0.457 7.557 33.108 1.00 0.00 C ATOM 0 H PHE A 29 4.548 6.023 32.945 1.00 0.00 H new ATOM 0 HA PHE A 29 2.879 3.746 33.845 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.001 5.008 31.080 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.922 3.730 31.604 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.824 7.270 32.398 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.207 4.277 32.388 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.164 8.950 33.075 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.869 5.954 33.062 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.188 8.296 33.402 1.00 0.00 H new ATOM 377 N HIS A 30 4.719 2.218 33.221 1.00 0.00 N ATOM 378 CA HIS A 30 5.717 1.236 32.813 1.00 0.00 C ATOM 379 C HIS A 30 5.051 -0.060 32.360 1.00 0.00 C ATOM 380 O HIS A 30 4.582 -0.848 33.182 1.00 0.00 O ATOM 381 CB HIS A 30 6.684 0.951 33.963 1.00 0.00 C ATOM 382 CG HIS A 30 7.280 2.186 34.564 1.00 0.00 C ATOM 383 ND1 HIS A 30 8.371 2.834 34.025 1.00 0.00 N ATOM 384 CD2 HIS A 30 6.929 2.894 35.663 1.00 0.00 C ATOM 385 CE1 HIS A 30 8.667 3.886 34.768 1.00 0.00 C ATOM 386 NE2 HIS A 30 7.807 3.945 35.769 1.00 0.00 N ATOM 0 H HIS A 30 4.226 1.986 34.083 1.00 0.00 H new ATOM 0 HA HIS A 30 6.275 1.650 31.973 1.00 0.00 H new ATOM 0 HB2 HIS A 30 6.158 0.396 34.740 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.487 0.309 33.601 1.00 0.00 H new ATOM 0 HD1 HIS A 30 8.872 2.546 33.184 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.111 2.673 36.332 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.475 4.580 34.587 1.00 0.00 H new ATOM 394 N ARG A 31 5.011 -0.273 31.049 1.00 0.00 N ATOM 395 CA ARG A 31 4.400 -1.472 30.487 1.00 0.00 C ATOM 396 C ARG A 31 5.170 -2.721 30.906 1.00 0.00 C ATOM 397 O ARG A 31 6.196 -2.634 31.581 1.00 0.00 O ATOM 398 CB ARG A 31 4.350 -1.378 28.961 1.00 0.00 C ATOM 399 CG ARG A 31 5.594 -1.920 28.277 1.00 0.00 C ATOM 400 CD ARG A 31 6.013 -1.042 27.108 1.00 0.00 C ATOM 401 NE ARG A 31 7.080 -0.115 27.474 1.00 0.00 N ATOM 402 CZ ARG A 31 7.783 0.584 26.590 1.00 0.00 C ATOM 403 NH1 ARG A 31 7.534 0.460 25.293 1.00 0.00 N ATOM 404 NH2 ARG A 31 8.738 1.408 27.001 1.00 0.00 N ATOM 0 H ARG A 31 5.395 0.369 30.356 1.00 0.00 H new ATOM 0 HA ARG A 31 3.383 -1.546 30.872 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.479 -1.925 28.600 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.213 -0.336 28.674 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.409 -1.982 28.998 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.404 -2.933 27.923 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.347 -1.672 26.283 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.151 -0.479 26.750 1.00 0.00 H new ATOM 0 HE ARG A 31 7.298 0.002 28.464 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.801 -0.173 24.973 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.075 0.998 24.616 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.933 1.506 27.997 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.277 1.944 26.321 1.00 0.00 H new ATOM 418 N PHE A 32 4.667 -3.883 30.501 1.00 0.00 N ATOM 419 CA PHE A 32 5.306 -5.150 30.835 1.00 0.00 C ATOM 420 C PHE A 32 6.622 -5.311 30.081 1.00 0.00 C ATOM 421 O PHE A 32 6.832 -4.728 29.017 1.00 0.00 O ATOM 422 CB PHE A 32 4.372 -6.318 30.509 1.00 0.00 C ATOM 423 CG PHE A 32 3.283 -6.516 31.525 1.00 0.00 C ATOM 424 CD1 PHE A 32 2.504 -5.449 31.942 1.00 0.00 C ATOM 425 CD2 PHE A 32 3.040 -7.770 32.063 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.501 -5.629 32.876 1.00 0.00 C ATOM 427 CE2 PHE A 32 2.038 -7.955 32.997 1.00 0.00 C ATOM 428 CZ PHE A 32 1.268 -6.883 33.405 1.00 0.00 C ATOM 0 H PHE A 32 3.819 -3.973 29.941 1.00 0.00 H new ATOM 0 HA PHE A 32 5.518 -5.151 31.904 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.920 -6.149 29.532 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.960 -7.233 30.435 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.682 -4.466 31.533 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.640 -8.611 31.749 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.900 -4.789 33.192 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.857 -8.937 33.408 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.486 -7.025 34.136 1.00 0.00 H new ATOM 438 N PRO A 33 7.531 -6.121 30.644 1.00 0.00 N ATOM 439 CA PRO A 33 8.843 -6.378 30.043 1.00 0.00 C ATOM 440 C PRO A 33 8.744 -7.213 28.771 1.00 0.00 C ATOM 441 O PRO A 33 7.907 -8.110 28.669 1.00 0.00 O ATOM 442 CB PRO A 33 9.588 -7.151 31.133 1.00 0.00 C ATOM 443 CG PRO A 33 8.515 -7.796 31.941 1.00 0.00 C ATOM 444 CD PRO A 33 7.348 -6.848 31.912 1.00 0.00 C ATOM 0 HA PRO A 33 9.340 -5.456 29.740 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.260 -7.894 30.703 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.198 -6.485 31.744 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.241 -8.765 31.523 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.849 -7.972 32.963 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.397 -7.380 31.937 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.357 -6.173 32.768 1.00 0.00 H new ATOM 452 N LEU A 34 9.603 -6.912 27.803 1.00 0.00 N ATOM 453 CA LEU A 34 9.613 -7.636 26.536 1.00 0.00 C ATOM 454 C LEU A 34 10.326 -8.977 26.681 1.00 0.00 C ATOM 455 O LEU A 34 10.200 -9.853 25.826 1.00 0.00 O ATOM 456 CB LEU A 34 10.293 -6.798 25.452 1.00 0.00 C ATOM 457 CG LEU A 34 9.894 -5.323 25.396 1.00 0.00 C ATOM 458 CD1 LEU A 34 8.479 -5.132 25.919 1.00 0.00 C ATOM 459 CD2 LEU A 34 10.877 -4.474 26.188 1.00 0.00 C ATOM 0 H LEU A 34 10.301 -6.172 27.871 1.00 0.00 H new ATOM 0 HA LEU A 34 8.580 -7.824 26.245 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.372 -6.857 25.598 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.078 -7.249 24.483 1.00 0.00 H new ATOM 0 HG LEU A 34 9.921 -4.999 24.356 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.213 -4.076 25.871 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.784 -5.709 25.309 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.424 -5.474 26.953 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.577 -3.427 26.137 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.883 -4.799 27.228 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.876 -4.586 25.767 1.00 0.00 H new ATOM 471 N ASP A 35 11.072 -9.129 27.769 1.00 0.00 N ATOM 472 CA ASP A 35 11.803 -10.365 28.028 1.00 0.00 C ATOM 473 C ASP A 35 10.883 -11.425 28.624 1.00 0.00 C ATOM 474 O ASP A 35 9.963 -11.127 29.386 1.00 0.00 O ATOM 475 CB ASP A 35 12.976 -10.100 28.972 1.00 0.00 C ATOM 476 CG ASP A 35 14.290 -10.623 28.424 1.00 0.00 C ATOM 477 OD1 ASP A 35 14.488 -10.557 27.193 1.00 0.00 O ATOM 478 OD2 ASP A 35 15.120 -11.098 29.227 1.00 0.00 O ATOM 0 H ASP A 35 11.187 -8.413 28.486 1.00 0.00 H new ATOM 0 HA ASP A 35 12.188 -10.737 27.078 1.00 0.00 H new ATOM 0 HB2 ASP A 35 13.061 -9.028 29.149 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.776 -10.568 29.936 1.00 0.00 H new ATOM 483 N PRO A 36 11.135 -12.694 28.270 1.00 0.00 N ATOM 484 CA PRO A 36 10.340 -13.825 28.759 1.00 0.00 C ATOM 485 C PRO A 36 10.563 -14.092 30.243 1.00 0.00 C ATOM 486 O PRO A 36 9.667 -14.570 30.940 1.00 0.00 O ATOM 487 CB PRO A 36 10.846 -15.003 27.922 1.00 0.00 C ATOM 488 CG PRO A 36 12.230 -14.618 27.526 1.00 0.00 C ATOM 489 CD PRO A 36 12.215 -13.123 27.366 1.00 0.00 C ATOM 0 HA PRO A 36 9.270 -13.643 28.661 1.00 0.00 H new ATOM 0 HB2 PRO A 36 10.842 -15.929 28.498 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.215 -15.168 27.048 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.952 -14.922 28.284 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.520 -15.107 26.596 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.171 -12.680 27.644 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.016 -12.831 26.335 1.00 0.00 H new ATOM 497 N LYS A 37 11.762 -13.779 30.722 1.00 0.00 N ATOM 498 CA LYS A 37 12.103 -13.983 32.125 1.00 0.00 C ATOM 499 C LYS A 37 11.245 -13.102 33.027 1.00 0.00 C ATOM 500 O LYS A 37 10.739 -13.555 34.054 1.00 0.00 O ATOM 501 CB LYS A 37 13.585 -13.682 32.360 1.00 0.00 C ATOM 502 CG LYS A 37 14.512 -14.793 31.897 1.00 0.00 C ATOM 503 CD LYS A 37 15.472 -14.307 30.825 1.00 0.00 C ATOM 504 CE LYS A 37 16.680 -15.222 30.702 1.00 0.00 C ATOM 505 NZ LYS A 37 17.528 -15.189 31.926 1.00 0.00 N ATOM 0 H LYS A 37 12.514 -13.383 30.159 1.00 0.00 H new ATOM 0 HA LYS A 37 11.907 -15.026 32.373 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.847 -12.761 31.839 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.747 -13.504 33.423 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.077 -15.174 32.747 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.921 -15.623 31.509 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.954 -14.256 29.867 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.803 -13.296 31.063 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.345 -16.243 30.520 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.276 -14.923 29.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.491 -15.502 31.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.561 -14.219 32.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.125 -15.823 32.645 1.00 0.00 H new ATOM 519 N ARG A 38 11.085 -11.842 32.637 1.00 0.00 N ATOM 520 CA ARG A 38 10.288 -10.898 33.410 1.00 0.00 C ATOM 521 C ARG A 38 8.815 -10.981 33.020 1.00 0.00 C ATOM 522 O ARG A 38 7.937 -11.038 33.881 1.00 0.00 O ATOM 523 CB ARG A 38 10.801 -9.472 33.201 1.00 0.00 C ATOM 524 CG ARG A 38 12.313 -9.348 33.305 1.00 0.00 C ATOM 525 CD ARG A 38 12.805 -9.694 34.702 1.00 0.00 C ATOM 526 NE ARG A 38 14.246 -9.928 34.731 1.00 0.00 N ATOM 527 CZ ARG A 38 14.878 -10.492 35.755 1.00 0.00 C ATOM 528 NH1 ARG A 38 14.199 -10.879 36.826 1.00 0.00 N ATOM 529 NH2 ARG A 38 16.192 -10.671 35.707 1.00 0.00 N ATOM 0 H ARG A 38 11.497 -11.451 31.790 1.00 0.00 H new ATOM 0 HA ARG A 38 10.383 -11.161 34.464 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.483 -9.120 32.220 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.339 -8.817 33.940 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.784 -10.009 32.578 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.614 -8.331 33.053 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.555 -8.883 35.386 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.286 -10.583 35.060 1.00 0.00 H new ATOM 0 HE ARG A 38 14.797 -9.643 33.922 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.189 -10.744 36.866 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.687 -11.312 37.610 1.00 0.00 H new ATOM 0 HH21 ARG A 38 16.717 -10.376 34.884 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.677 -11.104 36.493 1.00 0.00 H new ATOM 543 N ARG A 39 8.553 -10.988 31.717 1.00 0.00 N ATOM 544 CA ARG A 39 7.187 -11.063 31.213 1.00 0.00 C ATOM 545 C ARG A 39 6.350 -12.025 32.050 1.00 0.00 C ATOM 546 O ARG A 39 5.284 -11.666 32.549 1.00 0.00 O ATOM 547 CB ARG A 39 7.185 -11.509 29.749 1.00 0.00 C ATOM 548 CG ARG A 39 5.791 -11.698 29.172 1.00 0.00 C ATOM 549 CD ARG A 39 5.703 -12.960 28.329 1.00 0.00 C ATOM 550 NE ARG A 39 5.062 -12.715 27.041 1.00 0.00 N ATOM 551 CZ ARG A 39 5.589 -11.950 26.091 1.00 0.00 C ATOM 552 NH1 ARG A 39 6.761 -11.361 26.284 1.00 0.00 N ATOM 553 NH2 ARG A 39 4.945 -11.775 24.944 1.00 0.00 N ATOM 0 H ARG A 39 9.269 -10.943 30.991 1.00 0.00 H new ATOM 0 HA ARG A 39 6.745 -10.069 31.284 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.719 -10.770 29.152 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.735 -12.446 29.663 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.064 -11.750 29.983 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.528 -10.833 28.563 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.705 -13.357 28.165 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.144 -13.721 28.873 1.00 0.00 H new ATOM 0 HE ARG A 39 4.160 -13.155 26.860 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.260 -11.495 27.163 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.163 -10.774 25.553 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.044 -12.228 24.791 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.351 -11.187 24.216 1.00 0.00 H new ATOM 567 N LYS A 40 6.841 -13.251 32.201 1.00 0.00 N ATOM 568 CA LYS A 40 6.140 -14.266 32.978 1.00 0.00 C ATOM 569 C LYS A 40 6.082 -13.878 34.452 1.00 0.00 C ATOM 570 O LYS A 40 5.171 -14.282 35.174 1.00 0.00 O ATOM 571 CB LYS A 40 6.831 -15.623 32.824 1.00 0.00 C ATOM 572 CG LYS A 40 6.890 -16.115 31.388 1.00 0.00 C ATOM 573 CD LYS A 40 5.611 -15.790 30.634 1.00 0.00 C ATOM 574 CE LYS A 40 4.402 -16.452 31.277 1.00 0.00 C ATOM 575 NZ LYS A 40 3.268 -15.500 31.436 1.00 0.00 N ATOM 0 H LYS A 40 7.722 -13.565 31.795 1.00 0.00 H new ATOM 0 HA LYS A 40 5.121 -14.339 32.599 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.845 -15.552 33.217 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.305 -16.360 33.431 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.739 -15.657 30.880 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.056 -17.192 31.378 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.466 -14.710 30.610 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.702 -16.123 29.600 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.084 -17.297 30.667 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.682 -16.850 32.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.219 -15.181 32.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.414 -14.679 30.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.378 -15.974 31.180 1.00 0.00 H new ATOM 589 N GLU A 41 7.060 -13.092 34.892 1.00 0.00 N ATOM 590 CA GLU A 41 7.118 -12.650 36.280 1.00 0.00 C ATOM 591 C GLU A 41 6.037 -11.612 36.566 1.00 0.00 C ATOM 592 O GLU A 41 5.136 -11.844 37.373 1.00 0.00 O ATOM 593 CB GLU A 41 8.497 -12.067 36.596 1.00 0.00 C ATOM 594 CG GLU A 41 9.273 -12.865 37.630 1.00 0.00 C ATOM 595 CD GLU A 41 8.499 -13.057 38.920 1.00 0.00 C ATOM 596 OE1 GLU A 41 8.600 -12.185 39.808 1.00 0.00 O ATOM 597 OE2 GLU A 41 7.793 -14.079 39.041 1.00 0.00 O ATOM 0 H GLU A 41 7.822 -12.749 34.308 1.00 0.00 H new ATOM 0 HA GLU A 41 6.943 -13.516 36.918 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.080 -12.016 35.676 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.376 -11.045 36.954 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.527 -13.840 37.215 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.212 -12.356 37.846 1.00 0.00 H new ATOM 604 N TRP A 42 6.134 -10.467 35.901 1.00 0.00 N ATOM 605 CA TRP A 42 5.165 -9.392 36.083 1.00 0.00 C ATOM 606 C TRP A 42 3.751 -9.949 36.207 1.00 0.00 C ATOM 607 O TRP A 42 2.986 -9.537 37.079 1.00 0.00 O ATOM 608 CB TRP A 42 5.239 -8.407 34.915 1.00 0.00 C ATOM 609 CG TRP A 42 6.403 -7.468 35.002 1.00 0.00 C ATOM 610 CD1 TRP A 42 7.717 -7.803 35.165 1.00 0.00 C ATOM 611 CD2 TRP A 42 6.358 -6.038 34.933 1.00 0.00 C ATOM 612 NE1 TRP A 42 8.491 -6.669 35.201 1.00 0.00 N ATOM 613 CE2 TRP A 42 7.681 -5.573 35.060 1.00 0.00 C ATOM 614 CE3 TRP A 42 5.329 -5.106 34.774 1.00 0.00 C ATOM 615 CZ2 TRP A 42 7.999 -4.218 35.034 1.00 0.00 C ATOM 616 CZ3 TRP A 42 5.646 -3.762 34.748 1.00 0.00 C ATOM 617 CH2 TRP A 42 6.972 -3.328 34.877 1.00 0.00 C ATOM 0 H TRP A 42 6.874 -10.259 35.231 1.00 0.00 H new ATOM 0 HA TRP A 42 5.411 -8.868 37.006 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.302 -8.966 33.981 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.316 -7.828 34.879 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.092 -8.812 35.253 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.504 -6.646 35.314 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.304 -5.431 34.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.020 -3.881 35.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.858 -3.033 34.626 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.188 -2.270 34.852 1.00 0.00 H new ATOM 628 N VAL A 43 3.410 -10.887 35.329 1.00 0.00 N ATOM 629 CA VAL A 43 2.088 -11.501 35.342 1.00 0.00 C ATOM 630 C VAL A 43 1.912 -12.402 36.559 1.00 0.00 C ATOM 631 O VAL A 43 0.816 -12.512 37.110 1.00 0.00 O ATOM 632 CB VAL A 43 1.841 -12.327 34.066 1.00 0.00 C ATOM 633 CG1 VAL A 43 0.442 -12.925 34.079 1.00 0.00 C ATOM 634 CG2 VAL A 43 2.050 -11.469 32.827 1.00 0.00 C ATOM 0 H VAL A 43 4.031 -11.238 34.600 1.00 0.00 H new ATOM 0 HA VAL A 43 1.362 -10.689 35.387 1.00 0.00 H new ATOM 0 HB VAL A 43 2.560 -13.145 34.040 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.286 -13.505 33.170 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.332 -13.575 34.947 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.296 -12.124 34.130 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.871 -12.069 31.935 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.356 -10.629 32.845 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.073 -11.094 32.813 1.00 0.00 H new ATOM 644 N ARG A 44 2.999 -13.045 36.975 1.00 0.00 N ATOM 645 CA ARG A 44 2.964 -13.937 38.127 1.00 0.00 C ATOM 646 C ARG A 44 2.996 -13.144 39.430 1.00 0.00 C ATOM 647 O ARG A 44 2.614 -13.650 40.486 1.00 0.00 O ATOM 648 CB ARG A 44 4.144 -14.910 38.081 1.00 0.00 C ATOM 649 CG ARG A 44 4.738 -15.212 39.447 1.00 0.00 C ATOM 650 CD ARG A 44 3.760 -15.979 40.322 1.00 0.00 C ATOM 651 NE ARG A 44 4.219 -17.338 40.595 1.00 0.00 N ATOM 652 CZ ARG A 44 3.421 -18.313 41.017 1.00 0.00 C ATOM 653 NH1 ARG A 44 2.131 -18.079 41.213 1.00 0.00 N ATOM 654 NH2 ARG A 44 3.913 -19.524 41.244 1.00 0.00 N ATOM 0 H ARG A 44 3.914 -12.964 36.531 1.00 0.00 H new ATOM 0 HA ARG A 44 2.033 -14.503 38.089 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.817 -15.843 37.622 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.922 -14.495 37.440 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.653 -15.792 39.327 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.014 -14.279 39.939 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.622 -15.447 41.263 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.787 -16.017 39.831 1.00 0.00 H new ATOM 0 HE ARG A 44 5.207 -17.551 40.454 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.749 -17.149 41.040 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.520 -18.829 41.537 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.905 -19.708 41.095 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.299 -20.271 41.568 1.00 0.00 H new ATOM 668 N LEU A 45 3.453 -11.900 39.348 1.00 0.00 N ATOM 669 CA LEU A 45 3.535 -11.036 40.521 1.00 0.00 C ATOM 670 C LEU A 45 2.205 -10.333 40.773 1.00 0.00 C ATOM 671 O LEU A 45 1.695 -10.331 41.894 1.00 0.00 O ATOM 672 CB LEU A 45 4.646 -10.001 40.339 1.00 0.00 C ATOM 673 CG LEU A 45 6.075 -10.545 40.326 1.00 0.00 C ATOM 674 CD1 LEU A 45 6.982 -9.644 39.501 1.00 0.00 C ATOM 675 CD2 LEU A 45 6.607 -10.684 41.745 1.00 0.00 C ATOM 0 H LEU A 45 3.773 -11.466 38.482 1.00 0.00 H new ATOM 0 HA LEU A 45 3.765 -11.659 41.386 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.472 -9.471 39.402 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.566 -9.266 41.140 1.00 0.00 H new ATOM 0 HG LEU A 45 6.062 -11.533 39.866 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.995 -10.047 39.503 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.613 -9.596 38.477 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.989 -8.643 39.931 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.625 -11.072 41.715 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.605 -9.709 42.232 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.973 -11.371 42.306 1.00 0.00 H new ATOM 687 N VAL A 46 1.648 -9.739 39.723 1.00 0.00 N ATOM 688 CA VAL A 46 0.375 -9.035 39.830 1.00 0.00 C ATOM 689 C VAL A 46 -0.699 -9.930 40.437 1.00 0.00 C ATOM 690 O VAL A 46 -1.695 -9.446 40.974 1.00 0.00 O ATOM 691 CB VAL A 46 -0.106 -8.534 38.455 1.00 0.00 C ATOM 692 CG1 VAL A 46 0.175 -9.572 37.380 1.00 0.00 C ATOM 693 CG2 VAL A 46 -1.587 -8.190 38.502 1.00 0.00 C ATOM 0 H VAL A 46 2.058 -9.731 38.789 1.00 0.00 H new ATOM 0 HA VAL A 46 0.541 -8.178 40.483 1.00 0.00 H new ATOM 0 HB VAL A 46 0.446 -7.628 38.204 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.172 -9.200 36.416 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.247 -9.764 37.331 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.348 -10.497 37.622 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.910 -7.838 37.522 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.158 -9.077 38.775 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.756 -7.408 39.242 1.00 0.00 H new ATOM 703 N ARG A 47 -0.490 -11.240 40.348 1.00 0.00 N ATOM 704 CA ARG A 47 -1.440 -12.204 40.888 1.00 0.00 C ATOM 705 C ARG A 47 -2.763 -12.146 40.129 1.00 0.00 C ATOM 706 O ARG A 47 -3.712 -11.495 40.565 1.00 0.00 O ATOM 707 CB ARG A 47 -1.681 -11.937 42.375 1.00 0.00 C ATOM 708 CG ARG A 47 -0.873 -12.838 43.294 1.00 0.00 C ATOM 709 CD ARG A 47 -1.427 -14.254 43.314 1.00 0.00 C ATOM 710 NE ARG A 47 -2.725 -14.325 43.980 1.00 0.00 N ATOM 711 CZ ARG A 47 -3.231 -15.444 44.485 1.00 0.00 C ATOM 712 NH1 ARG A 47 -2.553 -16.580 44.401 1.00 0.00 N ATOM 713 NH2 ARG A 47 -4.419 -15.428 45.077 1.00 0.00 N ATOM 0 H ARG A 47 0.329 -11.657 39.907 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.015 -13.201 40.769 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.437 -10.897 42.593 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.741 -12.068 42.592 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.166 -12.857 42.965 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.880 -12.429 44.304 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.524 -14.620 42.292 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.722 -14.912 43.823 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.273 -13.468 44.062 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.640 -16.596 43.947 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.945 -17.438 44.790 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.944 -14.556 45.144 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.807 -16.288 45.465 1.00 0.00 H new ATOM 727 N ARG A 48 -2.817 -12.832 38.991 1.00 0.00 N ATOM 728 CA ARG A 48 -4.022 -12.857 38.171 1.00 0.00 C ATOM 729 C ARG A 48 -4.159 -14.193 37.447 1.00 0.00 C ATOM 730 O ARG A 48 -5.258 -14.732 37.318 1.00 0.00 O ATOM 731 CB ARG A 48 -3.997 -11.714 37.155 1.00 0.00 C ATOM 732 CG ARG A 48 -4.563 -10.409 37.691 1.00 0.00 C ATOM 733 CD ARG A 48 -4.366 -9.269 36.704 1.00 0.00 C ATOM 734 NE ARG A 48 -5.402 -9.252 35.675 1.00 0.00 N ATOM 735 CZ ARG A 48 -6.675 -8.960 35.918 1.00 0.00 C ATOM 736 NH1 ARG A 48 -7.067 -8.662 37.150 1.00 0.00 N ATOM 737 NH2 ARG A 48 -7.559 -8.964 34.929 1.00 0.00 N ATOM 0 H ARG A 48 -2.040 -13.377 38.617 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.882 -12.730 38.829 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.969 -11.549 36.832 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.564 -12.011 36.273 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.626 -10.531 37.900 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.078 -10.162 38.636 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.372 -8.320 37.240 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.388 -9.363 36.232 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.133 -9.477 34.717 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.390 -8.657 37.913 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.045 -8.438 37.334 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.262 -9.192 33.980 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.536 -8.740 35.117 1.00 0.00 H new ATOM 751 N LYS A 49 -3.035 -14.722 36.975 1.00 0.00 N ATOM 752 CA LYS A 49 -3.028 -15.995 36.264 1.00 0.00 C ATOM 753 C LYS A 49 -3.752 -15.876 34.928 1.00 0.00 C ATOM 754 O LYS A 49 -3.126 -15.883 33.869 1.00 0.00 O ATOM 755 CB LYS A 49 -3.684 -17.083 37.118 1.00 0.00 C ATOM 756 CG LYS A 49 -2.880 -18.370 37.187 1.00 0.00 C ATOM 757 CD LYS A 49 -3.726 -19.530 37.684 1.00 0.00 C ATOM 758 CE LYS A 49 -2.869 -20.741 38.020 1.00 0.00 C ATOM 759 NZ LYS A 49 -2.422 -21.461 36.796 1.00 0.00 N ATOM 0 H LYS A 49 -2.117 -14.288 37.072 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.991 -16.269 36.071 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.830 -16.701 38.128 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.672 -17.303 36.715 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.483 -18.605 36.200 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.026 -18.231 37.850 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.285 -19.222 38.568 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.458 -19.801 36.923 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.998 -20.422 38.592 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.436 -21.422 38.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.841 -22.280 37.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.253 -21.788 36.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.860 -20.819 36.202 1.00 0.00 H new ATOM 773 N ASN A 50 -5.076 -15.766 34.985 1.00 0.00 N ATOM 774 CA ASN A 50 -5.885 -15.645 33.778 1.00 0.00 C ATOM 775 C ASN A 50 -5.790 -14.237 33.198 1.00 0.00 C ATOM 776 O ASN A 50 -6.799 -13.548 33.042 1.00 0.00 O ATOM 777 CB ASN A 50 -7.346 -15.985 34.082 1.00 0.00 C ATOM 778 CG ASN A 50 -7.482 -16.999 35.202 1.00 0.00 C ATOM 779 OD1 ASN A 50 -7.212 -18.185 35.016 1.00 0.00 O ATOM 780 ND2 ASN A 50 -7.904 -16.534 36.372 1.00 0.00 N ATOM 0 H ASN A 50 -5.610 -15.758 35.854 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.500 -16.350 33.041 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.879 -15.074 34.353 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.820 -16.376 33.182 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.016 -17.169 37.163 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.116 -15.542 36.480 1.00 0.00 H new ATOM 787 N PHE A 51 -4.570 -13.815 32.880 1.00 0.00 N ATOM 788 CA PHE A 51 -4.342 -12.489 32.318 1.00 0.00 C ATOM 789 C PHE A 51 -3.070 -12.467 31.475 1.00 0.00 C ATOM 790 O PHE A 51 -2.224 -13.354 31.585 1.00 0.00 O ATOM 791 CB PHE A 51 -4.245 -11.448 33.435 1.00 0.00 C ATOM 792 CG PHE A 51 -3.269 -10.344 33.143 1.00 0.00 C ATOM 793 CD1 PHE A 51 -3.620 -9.295 32.309 1.00 0.00 C ATOM 794 CD2 PHE A 51 -2.002 -10.356 33.702 1.00 0.00 C ATOM 795 CE1 PHE A 51 -2.724 -8.278 32.038 1.00 0.00 C ATOM 796 CE2 PHE A 51 -1.101 -9.342 33.435 1.00 0.00 C ATOM 797 CZ PHE A 51 -1.463 -8.301 32.603 1.00 0.00 C ATOM 0 H PHE A 51 -3.724 -14.372 33.002 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.187 -12.244 31.675 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.231 -11.015 33.604 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.953 -11.945 34.360 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -4.605 -9.272 31.866 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.714 -11.167 34.354 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.009 -7.466 31.385 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.116 -9.364 33.876 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.762 -7.506 32.394 1.00 0.00 H new ATOM 807 N VAL A 52 -2.943 -11.447 30.633 1.00 0.00 N ATOM 808 CA VAL A 52 -1.775 -11.308 29.771 1.00 0.00 C ATOM 809 C VAL A 52 -1.629 -9.875 29.271 1.00 0.00 C ATOM 810 O VAL A 52 -2.611 -9.174 29.024 1.00 0.00 O ATOM 811 CB VAL A 52 -1.854 -12.257 28.561 1.00 0.00 C ATOM 812 CG1 VAL A 52 -1.534 -11.511 27.275 1.00 0.00 C ATOM 813 CG2 VAL A 52 -0.915 -13.439 28.750 1.00 0.00 C ATOM 0 H VAL A 52 -3.635 -10.704 30.529 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.905 -11.571 30.372 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.872 -12.639 28.486 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.595 -12.198 26.431 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.250 -10.701 27.136 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.527 -11.098 27.335 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.983 -14.100 27.886 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.109 -13.078 28.851 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.197 -13.987 29.649 1.00 0.00 H new ATOM 823 N PRO A 53 -0.374 -9.428 29.117 1.00 0.00 N ATOM 824 CA PRO A 53 -0.069 -8.074 28.643 1.00 0.00 C ATOM 825 C PRO A 53 -0.423 -7.881 27.172 1.00 0.00 C ATOM 826 O PRO A 53 0.151 -8.527 26.296 1.00 0.00 O ATOM 827 CB PRO A 53 1.443 -7.959 28.849 1.00 0.00 C ATOM 828 CG PRO A 53 1.940 -9.363 28.805 1.00 0.00 C ATOM 829 CD PRO A 53 0.844 -10.208 29.392 1.00 0.00 C ATOM 0 HA PRO A 53 -0.644 -7.316 29.175 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.903 -7.352 28.070 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.678 -7.486 29.802 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.162 -9.667 27.782 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.863 -9.469 29.376 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.804 -11.193 28.927 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.987 -10.366 30.461 1.00 0.00 H new ATOM 837 N GLY A 54 -1.372 -6.988 26.909 1.00 0.00 N ATOM 838 CA GLY A 54 -1.785 -6.726 25.542 1.00 0.00 C ATOM 839 C GLY A 54 -1.055 -5.546 24.932 1.00 0.00 C ATOM 840 O GLY A 54 -0.149 -5.721 24.116 1.00 0.00 O ATOM 0 H GLY A 54 -1.862 -6.442 27.617 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.606 -7.613 24.935 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.858 -6.536 25.520 1.00 0.00 H new ATOM 844 N LYS A 55 -1.450 -4.340 25.325 1.00 0.00 N ATOM 845 CA LYS A 55 -0.828 -3.126 24.811 1.00 0.00 C ATOM 846 C LYS A 55 -1.193 -1.921 25.673 1.00 0.00 C ATOM 847 O LYS A 55 -0.348 -1.074 25.963 1.00 0.00 O ATOM 848 CB LYS A 55 -1.259 -2.880 23.364 1.00 0.00 C ATOM 849 CG LYS A 55 -2.765 -2.903 23.165 1.00 0.00 C ATOM 850 CD LYS A 55 -3.144 -3.555 21.846 1.00 0.00 C ATOM 851 CE LYS A 55 -3.125 -2.552 20.703 1.00 0.00 C ATOM 852 NZ LYS A 55 -3.940 -3.014 19.546 1.00 0.00 N ATOM 0 H LYS A 55 -2.199 -4.177 25.998 1.00 0.00 H new ATOM 0 HA LYS A 55 0.253 -3.260 24.843 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.873 -1.914 23.038 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.805 -3.637 22.725 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.233 -3.444 23.987 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.152 -1.884 23.193 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.452 -4.369 21.629 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.138 -3.995 21.929 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.505 -1.593 21.055 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.097 -2.388 20.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.901 -2.303 18.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.562 -3.917 19.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.927 -3.146 19.847 1.00 0.00 H new ATOM 866 N HIS A 56 -2.457 -1.851 26.080 1.00 0.00 N ATOM 867 CA HIS A 56 -2.933 -0.751 26.910 1.00 0.00 C ATOM 868 C HIS A 56 -2.768 -1.078 28.392 1.00 0.00 C ATOM 869 O HIS A 56 -3.083 -0.261 29.258 1.00 0.00 O ATOM 870 CB HIS A 56 -4.400 -0.449 26.603 1.00 0.00 C ATOM 871 CG HIS A 56 -4.854 -0.976 25.276 1.00 0.00 C ATOM 872 ND1 HIS A 56 -5.134 -2.307 25.051 1.00 0.00 N ATOM 873 CD2 HIS A 56 -5.078 -0.342 24.102 1.00 0.00 C ATOM 874 CE1 HIS A 56 -5.509 -2.469 23.795 1.00 0.00 C ATOM 875 NE2 HIS A 56 -5.484 -1.292 23.197 1.00 0.00 N ATOM 0 H HIS A 56 -3.169 -2.543 25.848 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.333 0.130 26.681 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.023 -0.878 27.388 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.554 0.630 26.628 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -4.960 0.715 23.912 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.789 -3.405 23.335 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -5.727 -1.117 22.222 1.00 0.00 H new ATOM 883 N THR A 57 -2.272 -2.278 28.676 1.00 0.00 N ATOM 884 CA THR A 57 -2.068 -2.713 30.052 1.00 0.00 C ATOM 885 C THR A 57 -0.728 -2.224 30.590 1.00 0.00 C ATOM 886 O THR A 57 0.311 -2.405 29.955 1.00 0.00 O ATOM 887 CB THR A 57 -2.126 -4.248 30.170 1.00 0.00 C ATOM 888 OG1 THR A 57 -3.376 -4.731 29.665 1.00 0.00 O ATOM 889 CG2 THR A 57 -1.954 -4.687 31.617 1.00 0.00 C ATOM 0 H THR A 57 -2.004 -2.966 27.972 1.00 0.00 H new ATOM 0 HA THR A 57 -2.874 -2.279 30.644 1.00 0.00 H new ATOM 0 HB THR A 57 -1.310 -4.667 29.581 1.00 0.00 H new ATOM 0 HG1 THR A 57 -3.404 -5.708 29.742 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.999 -5.775 31.675 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.989 -4.343 31.989 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.751 -4.258 32.224 1.00 0.00 H new ATOM 897 N PHE A 58 -0.758 -1.604 31.765 1.00 0.00 N ATOM 898 CA PHE A 58 0.455 -1.089 32.389 1.00 0.00 C ATOM 899 C PHE A 58 0.383 -1.219 33.908 1.00 0.00 C ATOM 900 O PHE A 58 -0.657 -1.574 34.464 1.00 0.00 O ATOM 901 CB PHE A 58 0.670 0.376 32.002 1.00 0.00 C ATOM 902 CG PHE A 58 0.324 1.343 33.097 1.00 0.00 C ATOM 903 CD1 PHE A 58 -0.983 1.762 33.282 1.00 0.00 C ATOM 904 CD2 PHE A 58 1.307 1.834 33.942 1.00 0.00 C ATOM 905 CE1 PHE A 58 -1.305 2.652 34.290 1.00 0.00 C ATOM 906 CE2 PHE A 58 0.991 2.723 34.952 1.00 0.00 C ATOM 907 CZ PHE A 58 -0.317 3.133 35.125 1.00 0.00 C ATOM 0 H PHE A 58 -1.609 -1.446 32.304 1.00 0.00 H new ATOM 0 HA PHE A 58 1.297 -1.681 32.030 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.713 0.519 31.718 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.066 0.604 31.123 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.760 1.389 32.631 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.331 1.518 33.810 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.328 2.970 34.424 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.766 3.097 35.605 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.566 3.829 35.913 1.00 0.00 H new ATOM 917 N LEU A 59 1.496 -0.931 34.573 1.00 0.00 N ATOM 918 CA LEU A 59 1.562 -1.017 36.028 1.00 0.00 C ATOM 919 C LEU A 59 2.157 0.256 36.622 1.00 0.00 C ATOM 920 O LEU A 59 3.179 0.755 36.151 1.00 0.00 O ATOM 921 CB LEU A 59 2.395 -2.228 36.451 1.00 0.00 C ATOM 922 CG LEU A 59 1.617 -3.515 36.725 1.00 0.00 C ATOM 923 CD1 LEU A 59 2.506 -4.541 37.410 1.00 0.00 C ATOM 924 CD2 LEU A 59 0.386 -3.224 37.571 1.00 0.00 C ATOM 0 H LEU A 59 2.365 -0.636 34.128 1.00 0.00 H new ATOM 0 HA LEU A 59 0.546 -1.133 36.406 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.129 -2.430 35.670 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.951 -1.965 37.351 1.00 0.00 H new ATOM 0 HG LEU A 59 1.289 -3.928 35.771 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.935 -5.450 37.597 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.356 -4.772 36.768 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.865 -4.137 38.357 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.156 -4.152 37.756 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.693 -2.787 38.521 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.262 -2.525 37.042 1.00 0.00 H new ATOM 936 N CYS A 60 1.510 0.777 37.660 1.00 0.00 N ATOM 937 CA CYS A 60 1.975 1.990 38.321 1.00 0.00 C ATOM 938 C CYS A 60 3.379 1.797 38.888 1.00 0.00 C ATOM 939 O CYS A 60 3.795 0.675 39.173 1.00 0.00 O ATOM 940 CB CYS A 60 1.011 2.388 39.440 1.00 0.00 C ATOM 941 SG CYS A 60 -0.747 2.326 38.964 1.00 0.00 S ATOM 0 H CYS A 60 0.662 0.377 38.061 1.00 0.00 H new ATOM 0 HA CYS A 60 2.009 2.788 37.579 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.169 1.728 40.293 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.252 3.399 39.770 1.00 0.00 H new ATOM 0 HG CYS A 60 -1.144 1.089 38.930 1.00 0.00 H new ATOM 946 N SER A 61 4.102 2.900 39.049 1.00 0.00 N ATOM 947 CA SER A 61 5.460 2.853 39.579 1.00 0.00 C ATOM 948 C SER A 61 5.455 2.983 41.099 1.00 0.00 C ATOM 949 O SER A 61 6.443 2.671 41.765 1.00 0.00 O ATOM 950 CB SER A 61 6.310 3.967 38.964 1.00 0.00 C ATOM 951 OG SER A 61 5.519 5.103 38.660 1.00 0.00 O ATOM 0 H SER A 61 3.771 3.837 38.820 1.00 0.00 H new ATOM 0 HA SER A 61 5.893 1.888 39.315 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.104 4.247 39.656 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.792 3.602 38.057 1.00 0.00 H new ATOM 0 HG SER A 61 6.102 5.853 38.421 1.00 0.00 H new ATOM 957 N LYS A 62 4.335 3.447 41.643 1.00 0.00 N ATOM 958 CA LYS A 62 4.197 3.618 43.085 1.00 0.00 C ATOM 959 C LYS A 62 4.457 2.305 43.816 1.00 0.00 C ATOM 960 O LYS A 62 5.089 2.285 44.872 1.00 0.00 O ATOM 961 CB LYS A 62 2.799 4.137 43.426 1.00 0.00 C ATOM 962 CG LYS A 62 1.767 3.035 43.599 1.00 0.00 C ATOM 963 CD LYS A 62 0.351 3.578 43.508 1.00 0.00 C ATOM 964 CE LYS A 62 -0.206 3.918 44.882 1.00 0.00 C ATOM 965 NZ LYS A 62 -0.314 2.712 45.750 1.00 0.00 N ATOM 0 H LYS A 62 3.509 3.712 41.107 1.00 0.00 H new ATOM 0 HA LYS A 62 4.938 4.348 43.412 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.852 4.722 44.344 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.469 4.812 42.637 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.915 2.273 42.834 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.910 2.549 44.564 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.342 4.469 42.880 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.292 2.841 43.026 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.437 4.655 45.363 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.189 4.376 44.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.094 2.840 46.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.500 1.876 45.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.577 2.578 46.270 1.00 0.00 H new ATOM 979 N HIS A 63 3.966 1.209 43.247 1.00 0.00 N ATOM 980 CA HIS A 63 4.147 -0.110 43.844 1.00 0.00 C ATOM 981 C HIS A 63 5.618 -0.515 43.831 1.00 0.00 C ATOM 982 O HIS A 63 6.161 -0.952 44.845 1.00 0.00 O ATOM 983 CB HIS A 63 3.312 -1.150 43.096 1.00 0.00 C ATOM 984 CG HIS A 63 1.912 -0.702 42.810 1.00 0.00 C ATOM 985 ND1 HIS A 63 1.344 -0.247 41.669 1.00 0.00 N flip ATOM 986 CD2 HIS A 63 0.916 -0.689 43.764 1.00 0.00 C flip ATOM 987 CE1 HIS A 63 0.029 0.028 41.950 1.00 0.00 C flip ATOM 988 NE2 HIS A 63 -0.204 -0.248 43.221 1.00 0.00 N flip ATOM 0 H HIS A 63 3.440 1.208 42.373 1.00 0.00 H new ATOM 0 HA HIS A 63 3.811 -0.063 44.880 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.806 -1.392 42.155 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.278 -2.067 43.684 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.034 -0.992 44.794 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.697 0.408 41.247 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -1.097 -0.139 43.701 1.00 0.00 H new ATOM 996 N PHE A 64 6.257 -0.368 42.675 1.00 0.00 N ATOM 997 CA PHE A 64 7.664 -0.720 42.529 1.00 0.00 C ATOM 998 C PHE A 64 8.499 -0.096 43.643 1.00 0.00 C ATOM 999 O PHE A 64 8.012 0.740 44.404 1.00 0.00 O ATOM 1000 CB PHE A 64 8.188 -0.262 41.166 1.00 0.00 C ATOM 1001 CG PHE A 64 7.931 -1.248 40.063 1.00 0.00 C ATOM 1002 CD1 PHE A 64 6.658 -1.407 39.540 1.00 0.00 C ATOM 1003 CD2 PHE A 64 8.964 -2.017 39.550 1.00 0.00 C ATOM 1004 CE1 PHE A 64 6.419 -2.314 38.524 1.00 0.00 C ATOM 1005 CE2 PHE A 64 8.730 -2.925 38.534 1.00 0.00 C ATOM 1006 CZ PHE A 64 7.456 -3.075 38.022 1.00 0.00 C ATOM 0 H PHE A 64 5.822 -0.007 41.826 1.00 0.00 H new ATOM 0 HA PHE A 64 7.750 -1.804 42.598 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.723 0.689 40.908 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.261 -0.083 41.240 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.843 -0.816 39.930 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.962 -1.906 39.948 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.422 -2.427 38.124 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.543 -3.517 38.141 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.271 -3.786 37.230 1.00 0.00 H new ATOM 1016 N GLU A 65 9.760 -0.509 43.732 1.00 0.00 N ATOM 1017 CA GLU A 65 10.662 0.009 44.754 1.00 0.00 C ATOM 1018 C GLU A 65 11.426 1.226 44.240 1.00 0.00 C ATOM 1019 O GLU A 65 12.037 1.961 45.014 1.00 0.00 O ATOM 1020 CB GLU A 65 11.647 -1.077 45.194 1.00 0.00 C ATOM 1021 CG GLU A 65 11.001 -2.198 45.991 1.00 0.00 C ATOM 1022 CD GLU A 65 12.013 -3.192 46.526 1.00 0.00 C ATOM 1023 OE1 GLU A 65 12.638 -2.899 47.567 1.00 0.00 O ATOM 1024 OE2 GLU A 65 12.181 -4.261 45.904 1.00 0.00 O ATOM 0 H GLU A 65 10.179 -1.200 43.110 1.00 0.00 H new ATOM 0 HA GLU A 65 10.062 0.314 45.611 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.127 -1.500 44.311 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.433 -0.621 45.796 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.442 -1.771 46.823 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.283 -2.721 45.359 1.00 0.00 H new ATOM 1031 N ALA A 66 11.386 1.431 42.927 1.00 0.00 N ATOM 1032 CA ALA A 66 12.072 2.558 42.309 1.00 0.00 C ATOM 1033 C ALA A 66 13.573 2.302 42.213 1.00 0.00 C ATOM 1034 O ALA A 66 14.304 3.067 41.584 1.00 0.00 O ATOM 1035 CB ALA A 66 11.802 3.834 43.092 1.00 0.00 C ATOM 0 H ALA A 66 10.886 0.831 42.271 1.00 0.00 H new ATOM 0 HA ALA A 66 11.684 2.676 41.297 1.00 0.00 H new ATOM 0 HB1 ALA A 66 12.321 4.668 42.619 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.730 4.033 43.105 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.161 3.716 44.114 1.00 0.00 H new ATOM 1041 N SER A 67 14.025 1.221 42.841 1.00 0.00 N ATOM 1042 CA SER A 67 15.439 0.866 42.830 1.00 0.00 C ATOM 1043 C SER A 67 15.809 0.146 41.536 1.00 0.00 C ATOM 1044 O SER A 67 16.959 -0.248 41.339 1.00 0.00 O ATOM 1045 CB SER A 67 15.775 -0.017 44.033 1.00 0.00 C ATOM 1046 OG SER A 67 16.460 0.719 45.031 1.00 0.00 O ATOM 0 H SER A 67 13.432 0.576 43.364 1.00 0.00 H new ATOM 0 HA SER A 67 16.019 1.787 42.891 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.858 -0.434 44.449 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.390 -0.858 43.711 1.00 0.00 H new ATOM 0 HG SER A 67 16.662 0.132 45.790 1.00 0.00 H new ATOM 1052 N CYS A 68 14.826 -0.022 40.659 1.00 0.00 N ATOM 1053 CA CYS A 68 15.046 -0.696 39.384 1.00 0.00 C ATOM 1054 C CYS A 68 15.146 0.314 38.246 1.00 0.00 C ATOM 1055 O CYS A 68 15.424 -0.048 37.103 1.00 0.00 O ATOM 1056 CB CYS A 68 13.914 -1.686 39.105 1.00 0.00 C ATOM 1057 SG CYS A 68 12.742 -1.872 40.470 1.00 0.00 S ATOM 0 H CYS A 68 13.869 0.299 40.807 1.00 0.00 H new ATOM 0 HA CYS A 68 15.988 -1.241 39.447 1.00 0.00 H new ATOM 0 HB2 CYS A 68 13.372 -1.361 38.217 1.00 0.00 H new ATOM 0 HB3 CYS A 68 14.346 -2.660 38.876 1.00 0.00 H new ATOM 0 HG CYS A 68 11.821 -2.727 40.138 1.00 0.00 H new ATOM 1063 N PHE A 69 14.917 1.584 38.566 1.00 0.00 N ATOM 1064 CA PHE A 69 14.979 2.647 37.570 1.00 0.00 C ATOM 1065 C PHE A 69 16.424 3.050 37.294 1.00 0.00 C ATOM 1066 O PHE A 69 17.330 2.713 38.056 1.00 0.00 O ATOM 1067 CB PHE A 69 14.179 3.863 38.040 1.00 0.00 C ATOM 1068 CG PHE A 69 12.695 3.634 38.061 1.00 0.00 C ATOM 1069 CD1 PHE A 69 12.155 2.570 38.765 1.00 0.00 C ATOM 1070 CD2 PHE A 69 11.840 4.482 37.375 1.00 0.00 C ATOM 1071 CE1 PHE A 69 10.789 2.357 38.785 1.00 0.00 C ATOM 1072 CE2 PHE A 69 10.474 4.273 37.392 1.00 0.00 C ATOM 1073 CZ PHE A 69 9.948 3.210 38.098 1.00 0.00 C ATOM 0 H PHE A 69 14.687 1.902 39.508 1.00 0.00 H new ATOM 0 HA PHE A 69 14.543 2.270 36.645 1.00 0.00 H new ATOM 0 HB2 PHE A 69 14.510 4.140 39.041 1.00 0.00 H new ATOM 0 HB3 PHE A 69 14.399 4.707 37.386 1.00 0.00 H new ATOM 0 HD1 PHE A 69 12.808 1.900 39.304 1.00 0.00 H new ATOM 0 HD2 PHE A 69 12.246 5.316 36.821 1.00 0.00 H new ATOM 0 HE1 PHE A 69 10.380 1.524 39.338 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.818 4.941 36.853 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.881 3.046 38.113 1.00 0.00 H new ATOM 1083 N ASP A 70 16.632 3.772 36.198 1.00 0.00 N ATOM 1084 CA ASP A 70 17.967 4.222 35.820 1.00 0.00 C ATOM 1085 C ASP A 70 18.219 5.645 36.309 1.00 0.00 C ATOM 1086 O ASP A 70 18.095 6.605 35.548 1.00 0.00 O ATOM 1087 CB ASP A 70 18.141 4.152 34.302 1.00 0.00 C ATOM 1088 CG ASP A 70 19.548 3.757 33.899 1.00 0.00 C ATOM 1089 OD1 ASP A 70 20.218 3.060 34.689 1.00 0.00 O ATOM 1090 OD2 ASP A 70 19.979 4.145 32.793 1.00 0.00 O ATOM 0 H ASP A 70 15.893 4.058 35.556 1.00 0.00 H new ATOM 0 HA ASP A 70 18.694 3.561 36.292 1.00 0.00 H new ATOM 0 HB2 ASP A 70 17.433 3.433 33.891 1.00 0.00 H new ATOM 0 HB3 ASP A 70 17.900 5.122 33.866 1.00 0.00 H new ATOM 1095 N LEU A 71 18.572 5.773 37.583 1.00 0.00 N ATOM 1096 CA LEU A 71 18.841 7.079 38.175 1.00 0.00 C ATOM 1097 C LEU A 71 20.094 7.703 37.570 1.00 0.00 C ATOM 1098 O LEU A 71 20.303 8.914 37.657 1.00 0.00 O ATOM 1099 CB LEU A 71 19.001 6.951 39.690 1.00 0.00 C ATOM 1100 CG LEU A 71 17.897 6.185 40.420 1.00 0.00 C ATOM 1101 CD1 LEU A 71 16.537 6.505 39.818 1.00 0.00 C ATOM 1102 CD2 LEU A 71 18.165 4.688 40.370 1.00 0.00 C ATOM 0 H LEU A 71 18.679 4.989 38.226 1.00 0.00 H new ATOM 0 HA LEU A 71 17.993 7.730 37.960 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.952 6.460 39.894 1.00 0.00 H new ATOM 0 HB3 LEU A 71 19.062 7.953 40.115 1.00 0.00 H new ATOM 0 HG LEU A 71 17.892 6.499 41.464 1.00 0.00 H new ATOM 0 HD11 LEU A 71 15.764 5.951 40.350 1.00 0.00 H new ATOM 0 HD12 LEU A 71 16.343 7.574 39.906 1.00 0.00 H new ATOM 0 HD13 LEU A 71 16.529 6.220 38.766 1.00 0.00 H new ATOM 0 HD21 LEU A 71 17.370 4.158 40.894 1.00 0.00 H new ATOM 0 HD22 LEU A 71 18.197 4.359 39.331 1.00 0.00 H new ATOM 0 HD23 LEU A 71 19.121 4.473 40.848 1.00 0.00 H new ATOM 1152 N THR A 75 17.364 10.982 33.336 1.00 0.00 N ATOM 1153 CA THR A 75 16.082 10.861 34.018 1.00 0.00 C ATOM 1154 C THR A 75 15.959 9.515 34.723 1.00 0.00 C ATOM 1155 O THR A 75 16.961 8.867 35.023 1.00 0.00 O ATOM 1156 CB THR A 75 14.906 11.023 33.036 1.00 0.00 C ATOM 1157 OG1 THR A 75 13.684 11.203 33.761 1.00 0.00 O ATOM 1158 CG2 THR A 75 14.789 9.809 32.127 1.00 0.00 C ATOM 0 HA THR A 75 16.041 11.660 34.758 1.00 0.00 H new ATOM 0 HB THR A 75 15.094 11.902 32.419 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.997 10.607 33.397 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.952 9.946 31.443 1.00 0.00 H new ATOM 0 HG22 THR A 75 15.710 9.692 31.555 1.00 0.00 H new ATOM 0 HG23 THR A 75 14.621 8.917 32.731 1.00 0.00 H new ATOM 1166 N ARG A 76 14.723 9.100 34.984 1.00 0.00 N ATOM 1167 CA ARG A 76 14.470 7.831 35.654 1.00 0.00 C ATOM 1168 C ARG A 76 13.701 6.879 34.743 1.00 0.00 C ATOM 1169 O ARG A 76 12.523 7.094 34.457 1.00 0.00 O ATOM 1170 CB ARG A 76 13.685 8.061 36.948 1.00 0.00 C ATOM 1171 CG ARG A 76 14.523 7.895 38.205 1.00 0.00 C ATOM 1172 CD ARG A 76 14.009 8.772 39.336 1.00 0.00 C ATOM 1173 NE ARG A 76 14.222 10.192 39.068 1.00 0.00 N ATOM 1174 CZ ARG A 76 14.220 11.126 40.012 1.00 0.00 C ATOM 1175 NH1 ARG A 76 14.019 10.793 41.279 1.00 0.00 N ATOM 1176 NH2 ARG A 76 14.422 12.398 39.689 1.00 0.00 N ATOM 0 H ARG A 76 13.882 9.624 34.742 1.00 0.00 H new ATOM 0 HA ARG A 76 15.432 7.378 35.895 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.262 9.066 36.933 1.00 0.00 H new ATOM 0 HB3 ARG A 76 12.848 7.364 36.984 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.509 6.851 38.518 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.561 8.149 37.988 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.945 8.587 39.484 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.512 8.499 40.264 1.00 0.00 H new ATOM 0 HE ARG A 76 14.381 10.482 38.103 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.865 9.817 41.532 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.018 11.513 42.002 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.579 12.658 38.715 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.420 13.115 40.415 1.00 0.00 H new ATOM 1190 N ARG A 77 14.375 5.827 34.291 1.00 0.00 N ATOM 1191 CA ARG A 77 13.756 4.843 33.410 1.00 0.00 C ATOM 1192 C ARG A 77 13.709 3.471 34.076 1.00 0.00 C ATOM 1193 O ARG A 77 14.719 2.980 34.582 1.00 0.00 O ATOM 1194 CB ARG A 77 14.523 4.755 32.090 1.00 0.00 C ATOM 1195 CG ARG A 77 14.559 6.064 31.318 1.00 0.00 C ATOM 1196 CD ARG A 77 15.645 6.053 30.253 1.00 0.00 C ATOM 1197 NE ARG A 77 15.217 5.356 29.043 1.00 0.00 N ATOM 1198 CZ ARG A 77 15.959 5.269 27.944 1.00 0.00 C ATOM 1199 NH1 ARG A 77 17.159 5.831 27.904 1.00 0.00 N ATOM 1200 NH2 ARG A 77 15.501 4.618 26.883 1.00 0.00 N ATOM 0 H ARG A 77 15.350 5.634 34.520 1.00 0.00 H new ATOM 0 HA ARG A 77 12.734 5.165 33.208 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.545 4.435 32.294 1.00 0.00 H new ATOM 0 HB3 ARG A 77 14.067 3.987 31.465 1.00 0.00 H new ATOM 0 HG2 ARG A 77 13.590 6.238 30.850 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.733 6.890 32.008 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.919 7.078 30.003 1.00 0.00 H new ATOM 0 HD3 ARG A 77 16.539 5.573 30.651 1.00 0.00 H new ATOM 0 HE ARG A 77 14.299 4.912 29.041 1.00 0.00 H new ATOM 0 HH11 ARG A 77 17.515 6.332 28.718 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.726 5.763 27.059 1.00 0.00 H new ATOM 0 HH21 ARG A 77 14.579 4.184 26.910 1.00 0.00 H new ATOM 0 HH22 ARG A 77 16.071 4.552 26.040 1.00 0.00 H new ATOM 1214 N LEU A 78 12.531 2.858 34.074 1.00 0.00 N ATOM 1215 CA LEU A 78 12.352 1.542 34.678 1.00 0.00 C ATOM 1216 C LEU A 78 13.090 0.472 33.881 1.00 0.00 C ATOM 1217 O LEU A 78 12.782 0.227 32.715 1.00 0.00 O ATOM 1218 CB LEU A 78 10.864 1.196 34.761 1.00 0.00 C ATOM 1219 CG LEU A 78 10.510 -0.056 35.564 1.00 0.00 C ATOM 1220 CD1 LEU A 78 11.305 -1.252 35.065 1.00 0.00 C ATOM 1221 CD2 LEU A 78 10.762 0.172 37.047 1.00 0.00 C ATOM 0 H LEU A 78 11.685 3.251 33.661 1.00 0.00 H new ATOM 0 HA LEU A 78 12.769 1.572 35.685 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.338 2.045 35.198 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.483 1.073 33.747 1.00 0.00 H new ATOM 0 HG LEU A 78 9.450 -0.266 35.424 1.00 0.00 H new ATOM 0 HD11 LEU A 78 11.040 -2.134 35.648 1.00 0.00 H new ATOM 0 HD12 LEU A 78 11.075 -1.429 34.014 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.371 -1.052 35.174 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.504 -0.730 37.603 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.814 0.408 37.205 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.148 1.002 37.397 1.00 0.00 H new ATOM 1233 N LYS A 79 14.066 -0.165 34.519 1.00 0.00 N ATOM 1234 CA LYS A 79 14.848 -1.212 33.873 1.00 0.00 C ATOM 1235 C LYS A 79 13.936 -2.259 33.239 1.00 0.00 C ATOM 1236 O LYS A 79 13.051 -2.804 33.897 1.00 0.00 O ATOM 1237 CB LYS A 79 15.781 -1.880 34.885 1.00 0.00 C ATOM 1238 CG LYS A 79 17.017 -1.058 35.207 1.00 0.00 C ATOM 1239 CD LYS A 79 17.635 -1.476 36.531 1.00 0.00 C ATOM 1240 CE LYS A 79 19.065 -1.960 36.351 1.00 0.00 C ATOM 1241 NZ LYS A 79 19.196 -2.882 35.188 1.00 0.00 N ATOM 0 H LYS A 79 14.334 0.026 35.484 1.00 0.00 H new ATOM 0 HA LYS A 79 15.446 -0.751 33.087 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.230 -2.068 35.806 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.091 -2.850 34.496 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.751 -1.174 34.409 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.753 -0.001 35.245 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.619 -0.634 37.223 1.00 0.00 H new ATOM 0 HD3 LYS A 79 17.035 -2.268 36.979 1.00 0.00 H new ATOM 0 HE2 LYS A 79 19.724 -1.103 36.211 1.00 0.00 H new ATOM 0 HE3 LYS A 79 19.393 -2.469 37.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.930 -3.591 35.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.288 -3.361 35.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.462 -2.338 34.342 1.00 0.00 H new ATOM 1255 N MET A 80 14.160 -2.534 31.958 1.00 0.00 N ATOM 1256 CA MET A 80 13.360 -3.517 31.237 1.00 0.00 C ATOM 1257 C MET A 80 13.533 -4.907 31.841 1.00 0.00 C ATOM 1258 O MET A 80 12.838 -5.850 31.462 1.00 0.00 O ATOM 1259 CB MET A 80 13.751 -3.539 29.758 1.00 0.00 C ATOM 1260 CG MET A 80 13.758 -2.163 29.111 1.00 0.00 C ATOM 1261 SD MET A 80 12.855 -2.124 27.551 1.00 0.00 S ATOM 1262 CE MET A 80 12.628 -0.361 27.335 1.00 0.00 C ATOM 0 H MET A 80 14.888 -2.090 31.398 1.00 0.00 H new ATOM 0 HA MET A 80 12.312 -3.230 31.324 1.00 0.00 H new ATOM 0 HB2 MET A 80 14.741 -3.983 29.659 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.057 -4.183 29.217 1.00 0.00 H new ATOM 0 HG2 MET A 80 13.319 -1.440 29.799 1.00 0.00 H new ATOM 0 HG3 MET A 80 14.788 -1.853 28.938 1.00 0.00 H new ATOM 0 HE1 MET A 80 12.083 -0.175 26.410 1.00 0.00 H new ATOM 0 HE2 MET A 80 12.062 0.039 28.176 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.601 0.128 27.287 1.00 0.00 H new ATOM 1272 N ASP A 81 14.464 -5.027 32.781 1.00 0.00 N ATOM 1273 CA ASP A 81 14.728 -6.302 33.438 1.00 0.00 C ATOM 1274 C ASP A 81 14.315 -6.253 34.905 1.00 0.00 C ATOM 1275 O ASP A 81 14.665 -7.135 35.689 1.00 0.00 O ATOM 1276 CB ASP A 81 16.210 -6.662 33.324 1.00 0.00 C ATOM 1277 CG ASP A 81 16.524 -7.426 32.052 1.00 0.00 C ATOM 1278 OD1 ASP A 81 16.092 -8.592 31.938 1.00 0.00 O ATOM 1279 OD2 ASP A 81 17.202 -6.857 31.171 1.00 0.00 O ATOM 0 H ASP A 81 15.049 -4.257 33.105 1.00 0.00 H new ATOM 0 HA ASP A 81 14.137 -7.069 32.938 1.00 0.00 H new ATOM 0 HB2 ASP A 81 16.806 -5.750 33.353 1.00 0.00 H new ATOM 0 HB3 ASP A 81 16.503 -7.261 34.186 1.00 0.00 H new ATOM 1284 N ALA A 82 13.568 -5.216 35.270 1.00 0.00 N ATOM 1285 CA ALA A 82 13.107 -5.052 36.643 1.00 0.00 C ATOM 1286 C ALA A 82 11.728 -5.674 36.837 1.00 0.00 C ATOM 1287 O ALA A 82 10.978 -5.857 35.877 1.00 0.00 O ATOM 1288 CB ALA A 82 13.081 -3.578 37.019 1.00 0.00 C ATOM 0 H ALA A 82 13.269 -4.477 34.634 1.00 0.00 H new ATOM 0 HA ALA A 82 13.806 -5.570 37.299 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.735 -3.471 38.047 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.084 -3.162 36.929 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.405 -3.044 36.351 1.00 0.00 H new ATOM 1294 N VAL A 83 11.399 -5.997 38.083 1.00 0.00 N ATOM 1295 CA VAL A 83 10.109 -6.597 38.403 1.00 0.00 C ATOM 1296 C VAL A 83 9.591 -6.104 39.749 1.00 0.00 C ATOM 1297 O VAL A 83 10.358 -5.767 40.651 1.00 0.00 O ATOM 1298 CB VAL A 83 10.198 -8.135 38.431 1.00 0.00 C ATOM 1299 CG1 VAL A 83 9.606 -8.728 37.161 1.00 0.00 C ATOM 1300 CG2 VAL A 83 11.640 -8.581 38.617 1.00 0.00 C ATOM 0 H VAL A 83 12.008 -5.853 38.888 1.00 0.00 H new ATOM 0 HA VAL A 83 9.416 -6.294 37.618 1.00 0.00 H new ATOM 0 HB VAL A 83 9.617 -8.500 39.278 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.678 -9.815 37.199 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.559 -8.436 37.077 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.156 -8.358 36.296 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.685 -9.670 38.635 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.246 -8.206 37.792 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.024 -8.187 39.558 1.00 0.00 H new ATOM 1310 N PRO A 84 8.258 -6.060 39.890 1.00 0.00 N ATOM 1311 CA PRO A 84 7.607 -5.610 41.124 1.00 0.00 C ATOM 1312 C PRO A 84 7.794 -6.597 42.271 1.00 0.00 C ATOM 1313 O PRO A 84 7.011 -7.534 42.432 1.00 0.00 O ATOM 1314 CB PRO A 84 6.130 -5.518 40.732 1.00 0.00 C ATOM 1315 CG PRO A 84 5.978 -6.475 39.601 1.00 0.00 C ATOM 1316 CD PRO A 84 7.283 -6.446 38.856 1.00 0.00 C ATOM 0 HA PRO A 84 8.025 -4.671 41.487 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.482 -5.785 41.566 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.862 -4.505 40.432 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.759 -7.479 39.966 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.152 -6.184 38.952 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.520 -7.418 38.423 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.262 -5.728 38.036 1.00 0.00 H new ATOM 1324 N THR A 85 8.836 -6.381 43.067 1.00 0.00 N ATOM 1325 CA THR A 85 9.126 -7.252 44.199 1.00 0.00 C ATOM 1326 C THR A 85 8.422 -6.766 45.461 1.00 0.00 C ATOM 1327 O THR A 85 9.047 -6.610 46.511 1.00 0.00 O ATOM 1328 CB THR A 85 10.640 -7.336 44.470 1.00 0.00 C ATOM 1329 OG1 THR A 85 11.211 -6.023 44.471 1.00 0.00 O ATOM 1330 CG2 THR A 85 11.330 -8.194 43.421 1.00 0.00 C ATOM 0 H THR A 85 9.493 -5.610 42.949 1.00 0.00 H new ATOM 0 HA THR A 85 8.755 -8.243 43.938 1.00 0.00 H new ATOM 0 HB THR A 85 10.787 -7.796 45.447 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.405 -5.751 45.392 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.398 -8.239 43.633 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.913 -9.201 43.443 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.174 -7.758 42.434 1.00 0.00 H new ATOM 1338 N ILE A 86 7.119 -6.530 45.353 1.00 0.00 N ATOM 1339 CA ILE A 86 6.331 -6.063 46.486 1.00 0.00 C ATOM 1340 C ILE A 86 4.898 -6.581 46.410 1.00 0.00 C ATOM 1341 O ILE A 86 4.599 -7.681 46.873 1.00 0.00 O ATOM 1342 CB ILE A 86 6.306 -4.525 46.560 1.00 0.00 C ATOM 1343 CG1 ILE A 86 6.433 -3.924 45.159 1.00 0.00 C ATOM 1344 CG2 ILE A 86 7.421 -4.020 47.463 1.00 0.00 C ATOM 1345 CD1 ILE A 86 7.818 -3.399 44.851 1.00 0.00 C ATOM 0 H ILE A 86 6.587 -6.655 44.492 1.00 0.00 H new ATOM 0 HA ILE A 86 6.809 -6.453 47.384 1.00 0.00 H new ATOM 0 HB ILE A 86 5.352 -4.211 46.984 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.168 -4.682 44.422 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.714 -3.112 45.054 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.390 -2.931 47.505 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.289 -4.426 48.466 1.00 0.00 H new ATOM 0 HG23 ILE A 86 8.384 -4.341 47.066 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.835 -2.988 43.842 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.078 -2.618 45.566 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.540 -4.212 44.923 1.00 0.00 H new ATOM 1357 N PHE A 87 4.017 -5.780 45.820 1.00 0.00 N ATOM 1358 CA PHE A 87 2.615 -6.157 45.682 1.00 0.00 C ATOM 1359 C PHE A 87 2.008 -6.503 47.038 1.00 0.00 C ATOM 1360 O PHE A 87 1.369 -7.544 47.197 1.00 0.00 O ATOM 1361 CB PHE A 87 2.476 -7.347 44.730 1.00 0.00 C ATOM 1362 CG PHE A 87 2.310 -6.948 43.291 1.00 0.00 C ATOM 1363 CD1 PHE A 87 1.264 -6.127 42.903 1.00 0.00 C ATOM 1364 CD2 PHE A 87 3.201 -7.393 42.328 1.00 0.00 C ATOM 1365 CE1 PHE A 87 1.108 -5.759 41.580 1.00 0.00 C ATOM 1366 CE2 PHE A 87 3.051 -7.028 41.003 1.00 0.00 C ATOM 1367 CZ PHE A 87 2.004 -6.209 40.629 1.00 0.00 C ATOM 0 H PHE A 87 4.249 -4.866 45.430 1.00 0.00 H new ATOM 0 HA PHE A 87 2.075 -5.305 45.269 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.357 -7.982 44.823 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.618 -7.947 45.034 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.562 -5.770 43.643 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.022 -8.033 42.616 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.287 -5.120 41.290 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.752 -7.383 40.262 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.886 -5.921 39.595 1.00 0.00 H new