USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=15 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 -160:sc= -1.88 USER MOD Set 1.2: A 17 CYS SG : rot -112:sc= 0.0395 USER MOD Set 1.3: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 1.4: A 60 CYS SG : rot 60:sc= 0.618 USER MOD Set 1.5: A 62 LYS NZ :NH3+ 180:sc=-0.00847 (180deg=0) USER MOD Set 1.6: A 63 HIS : no HD1:sc= -1.55 X(o=-2.8,f=-2.5) USER MOD Single : A 11 ASN : amide:sc= -0.0661 X(o=-0.066,f=-0.49!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.296 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 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -4.07! C(o=-4.1!,f=-4.8!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.658 K(o=-0.66,f=-1.7!) USER MOD Single : A 55 LYS NZ :NH3+ 151:sc= -0.11 (180deg=-0.912) USER MOD Single : A 56 HIS : no HD1:sc= -1.75! C(o=-1.8!,f=-1.6!) USER MOD Single : A 57 THR OG1 : rot -170:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot -152:sc= -1.75! USER MOD Single : A 75 THR OG1 : rot -123:sc= 0.482 USER MOD Single : A 79 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00429) 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 -5.446 1.725 32.405 1.00 0.00 N ATOM 112 CA ASN A 11 -5.613 1.405 33.819 1.00 0.00 C ATOM 113 C ASN A 11 -4.562 0.399 34.277 1.00 0.00 C ATOM 114 O ASN A 11 -4.069 -0.405 33.484 1.00 0.00 O ATOM 115 CB ASN A 11 -7.015 0.848 34.075 1.00 0.00 C ATOM 116 CG ASN A 11 -7.442 -0.151 33.017 1.00 0.00 C ATOM 117 OD1 ASN A 11 -6.617 -0.880 32.467 1.00 0.00 O ATOM 118 ND2 ASN A 11 -8.738 -0.189 32.728 1.00 0.00 N ATOM 0 HA ASN A 11 -5.484 2.324 34.392 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.040 0.369 35.054 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.730 1.670 34.104 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.085 -0.841 32.025 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.386 0.434 33.209 1.00 0.00 H new ATOM 125 N CYS A 12 -4.224 0.447 35.561 1.00 0.00 N ATOM 126 CA CYS A 12 -3.233 -0.459 36.126 1.00 0.00 C ATOM 127 C CYS A 12 -3.749 -1.895 36.131 1.00 0.00 C ATOM 128 O CYS A 12 -4.854 -2.167 36.598 1.00 0.00 O ATOM 129 CB CYS A 12 -2.872 -0.031 37.550 1.00 0.00 C ATOM 130 SG CYS A 12 -1.649 -1.108 38.364 1.00 0.00 S ATOM 0 H CYS A 12 -4.623 1.105 36.230 1.00 0.00 H new ATOM 0 HA CYS A 12 -2.340 -0.414 35.503 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.483 0.987 37.524 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.780 -0.010 38.153 1.00 0.00 H new ATOM 0 HG CYS A 12 -1.722 -0.951 39.652 1.00 0.00 H new ATOM 135 N ALA A 13 -2.940 -2.811 35.607 1.00 0.00 N ATOM 136 CA ALA A 13 -3.313 -4.219 35.553 1.00 0.00 C ATOM 137 C ALA A 13 -3.375 -4.824 36.951 1.00 0.00 C ATOM 138 O ALA A 13 -4.172 -5.725 37.212 1.00 0.00 O ATOM 139 CB ALA A 13 -2.332 -4.992 34.684 1.00 0.00 C ATOM 0 H ALA A 13 -2.022 -2.603 35.214 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.307 -4.290 35.111 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.623 -6.042 34.653 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.340 -4.583 33.674 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.329 -4.906 35.102 1.00 0.00 H new ATOM 145 N ALA A 14 -2.530 -4.324 37.846 1.00 0.00 N ATOM 146 CA ALA A 14 -2.490 -4.815 39.218 1.00 0.00 C ATOM 147 C ALA A 14 -3.887 -5.178 39.711 1.00 0.00 C ATOM 148 O ALA A 14 -4.851 -4.456 39.459 1.00 0.00 O ATOM 149 CB ALA A 14 -1.858 -3.777 40.132 1.00 0.00 C ATOM 0 H ALA A 14 -1.863 -3.579 37.646 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.880 -5.718 39.238 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.835 -4.157 41.153 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.841 -3.570 39.799 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.444 -2.859 40.100 1.00 0.00 H new ATOM 155 N ALA A 15 -3.987 -6.300 40.416 1.00 0.00 N ATOM 156 CA ALA A 15 -5.266 -6.757 40.946 1.00 0.00 C ATOM 157 C ALA A 15 -5.879 -5.716 41.876 1.00 0.00 C ATOM 158 O ALA A 15 -5.396 -5.502 42.987 1.00 0.00 O ATOM 159 CB ALA A 15 -5.092 -8.082 41.675 1.00 0.00 C ATOM 0 H ALA A 15 -3.198 -6.909 40.633 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.947 -6.902 40.108 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.055 -8.412 42.066 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.706 -8.830 40.983 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.390 -7.954 42.499 1.00 0.00 H new ATOM 165 N GLY A 16 -6.945 -5.069 41.413 1.00 0.00 N ATOM 166 CA GLY A 16 -7.605 -4.057 42.216 1.00 0.00 C ATOM 167 C GLY A 16 -6.692 -2.893 42.547 1.00 0.00 C ATOM 168 O GLY A 16 -6.250 -2.744 43.687 1.00 0.00 O ATOM 0 H GLY A 16 -7.363 -5.228 40.496 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.480 -3.688 41.682 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.963 -4.508 43.141 1.00 0.00 H new ATOM 172 N CYS A 17 -6.406 -2.065 41.548 1.00 0.00 N ATOM 173 CA CYS A 17 -5.538 -0.909 41.736 1.00 0.00 C ATOM 174 C CYS A 17 -5.941 0.232 40.806 1.00 0.00 C ATOM 175 O CYS A 17 -6.368 1.294 41.258 1.00 0.00 O ATOM 176 CB CYS A 17 -4.079 -1.294 41.486 1.00 0.00 C ATOM 177 SG CYS A 17 -2.879 -0.008 41.958 1.00 0.00 S ATOM 0 H CYS A 17 -6.763 -2.173 40.599 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.646 -0.570 42.766 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.855 -2.206 42.040 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.951 -1.524 40.428 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.314 0.471 40.890 1.00 0.00 H new ATOM 182 N ALA A 18 -5.803 0.003 39.504 1.00 0.00 N ATOM 183 CA ALA A 18 -6.155 1.009 38.510 1.00 0.00 C ATOM 184 C ALA A 18 -5.278 2.249 38.651 1.00 0.00 C ATOM 185 O ALA A 18 -4.241 2.367 37.998 1.00 0.00 O ATOM 186 CB ALA A 18 -7.624 1.382 38.634 1.00 0.00 C ATOM 0 H ALA A 18 -5.450 -0.871 39.113 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.982 0.584 37.521 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.873 2.134 37.885 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.239 0.496 38.476 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.815 1.784 39.629 1.00 0.00 H new ATOM 192 N THR A 19 -5.702 3.174 39.507 1.00 0.00 N ATOM 193 CA THR A 19 -4.957 4.406 39.732 1.00 0.00 C ATOM 194 C THR A 19 -5.288 5.450 38.671 1.00 0.00 C ATOM 195 O THR A 19 -4.676 6.517 38.623 1.00 0.00 O ATOM 196 CB THR A 19 -3.438 4.152 39.730 1.00 0.00 C ATOM 197 OG1 THR A 19 -2.826 4.836 40.830 1.00 0.00 O ATOM 198 CG2 THR A 19 -2.813 4.620 38.425 1.00 0.00 C ATOM 0 H THR A 19 -6.558 3.093 40.056 1.00 0.00 H new ATOM 0 HA THR A 19 -5.254 4.781 40.712 1.00 0.00 H new ATOM 0 HB THR A 19 -3.271 3.080 39.830 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.860 4.669 40.823 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.740 4.430 38.447 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.260 4.078 37.592 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.990 5.688 38.299 1.00 0.00 H new ATOM 206 N THR A 20 -6.261 5.136 37.821 1.00 0.00 N ATOM 207 CA THR A 20 -6.673 6.046 36.761 1.00 0.00 C ATOM 208 C THR A 20 -6.771 7.479 37.273 1.00 0.00 C ATOM 209 O THR A 20 -5.905 8.308 36.995 1.00 0.00 O ATOM 210 CB THR A 20 -8.030 5.633 36.161 1.00 0.00 C ATOM 211 OG1 THR A 20 -8.963 5.349 37.210 1.00 0.00 O ATOM 212 CG2 THR A 20 -7.878 4.413 35.267 1.00 0.00 C ATOM 0 H THR A 20 -6.778 4.257 37.847 1.00 0.00 H new ATOM 0 HA THR A 20 -5.910 5.992 35.985 1.00 0.00 H new ATOM 0 HB THR A 20 -8.403 6.461 35.558 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.824 5.089 36.821 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.850 4.140 34.855 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.190 4.642 34.453 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.485 3.581 35.851 1.00 0.00 H new ATOM 220 N TYR A 21 -7.830 7.762 38.023 1.00 0.00 N ATOM 221 CA TYR A 21 -8.042 9.096 38.573 1.00 0.00 C ATOM 222 C TYR A 21 -7.901 9.087 40.092 1.00 0.00 C ATOM 223 O TYR A 21 -8.440 8.215 40.771 1.00 0.00 O ATOM 224 CB TYR A 21 -9.425 9.619 38.180 1.00 0.00 C ATOM 225 CG TYR A 21 -9.407 11.028 37.634 1.00 0.00 C ATOM 226 CD1 TYR A 21 -9.042 11.279 36.317 1.00 0.00 C ATOM 227 CD2 TYR A 21 -9.755 12.109 38.434 1.00 0.00 C ATOM 228 CE1 TYR A 21 -9.023 12.566 35.814 1.00 0.00 C ATOM 229 CE2 TYR A 21 -9.741 13.399 37.939 1.00 0.00 C ATOM 230 CZ TYR A 21 -9.374 13.622 36.628 1.00 0.00 C ATOM 231 OH TYR A 21 -9.358 14.905 36.130 1.00 0.00 O ATOM 0 H TYR A 21 -8.555 7.086 38.264 1.00 0.00 H new ATOM 0 HA TYR A 21 -7.281 9.757 38.160 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.856 8.954 37.432 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -10.078 9.585 39.052 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.769 10.454 35.676 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.042 11.938 39.461 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.735 12.744 34.788 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.016 14.228 38.575 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.632 15.532 36.832 1.00 0.00 H new ATOM 241 N ASN A 22 -7.174 10.067 40.618 1.00 0.00 N ATOM 242 CA ASN A 22 -6.961 10.174 42.057 1.00 0.00 C ATOM 243 C ASN A 22 -6.963 11.634 42.500 1.00 0.00 C ATOM 244 O ASN A 22 -6.501 11.963 43.593 1.00 0.00 O ATOM 245 CB ASN A 22 -5.639 9.512 42.449 1.00 0.00 C ATOM 246 CG ASN A 22 -5.809 8.491 43.558 1.00 0.00 C ATOM 247 OD1 ASN A 22 -5.525 8.771 44.723 1.00 0.00 O ATOM 248 ND2 ASN A 22 -6.275 7.301 43.199 1.00 0.00 N ATOM 0 H ASN A 22 -6.722 10.799 40.069 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.780 9.659 42.559 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.206 9.026 41.575 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.933 10.278 42.770 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.411 6.574 43.901 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.497 7.114 42.221 1.00 0.00 H new ATOM 313 N ASN A 26 0.620 12.026 39.939 1.00 0.00 N ATOM 314 CA ASN A 26 1.500 12.109 38.780 1.00 0.00 C ATOM 315 C ASN A 26 2.303 10.822 38.613 1.00 0.00 C ATOM 316 O ASN A 26 3.520 10.856 38.432 1.00 0.00 O ATOM 317 CB ASN A 26 2.450 13.300 38.919 1.00 0.00 C ATOM 318 CG ASN A 26 1.821 14.456 39.672 1.00 0.00 C ATOM 319 OD1 ASN A 26 2.219 14.771 40.794 1.00 0.00 O ATOM 320 ND2 ASN A 26 0.832 15.095 39.058 1.00 0.00 N ATOM 0 HA ASN A 26 0.880 12.248 37.894 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.354 12.981 39.437 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.753 13.637 37.928 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.370 15.881 39.516 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.534 14.800 38.128 1.00 0.00 H new ATOM 327 N ILE A 27 1.612 9.688 38.674 1.00 0.00 N ATOM 328 CA ILE A 27 2.259 8.391 38.528 1.00 0.00 C ATOM 329 C ILE A 27 2.534 8.075 37.062 1.00 0.00 C ATOM 330 O ILE A 27 1.707 8.350 36.192 1.00 0.00 O ATOM 331 CB ILE A 27 1.402 7.263 39.133 1.00 0.00 C ATOM 332 CG1 ILE A 27 1.605 7.195 40.648 1.00 0.00 C ATOM 333 CG2 ILE A 27 1.749 5.930 38.486 1.00 0.00 C ATOM 334 CD1 ILE A 27 0.859 6.056 41.307 1.00 0.00 C ATOM 0 H ILE A 27 0.604 9.642 38.824 1.00 0.00 H new ATOM 0 HA ILE A 27 3.204 8.448 39.068 1.00 0.00 H new ATOM 0 HB ILE A 27 0.352 7.478 38.936 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.669 7.092 40.860 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.281 8.136 41.092 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.135 5.142 38.924 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.558 5.985 37.414 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.802 5.706 38.656 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.049 6.069 42.380 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.210 6.168 41.126 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.200 5.108 40.890 1.00 0.00 H new ATOM 346 N SER A 28 3.699 7.495 36.795 1.00 0.00 N ATOM 347 CA SER A 28 4.084 7.144 35.433 1.00 0.00 C ATOM 348 C SER A 28 3.427 5.836 35.003 1.00 0.00 C ATOM 349 O SER A 28 2.723 5.195 35.785 1.00 0.00 O ATOM 350 CB SER A 28 5.606 7.022 35.326 1.00 0.00 C ATOM 351 OG SER A 28 6.247 8.174 35.844 1.00 0.00 O ATOM 0 H SER A 28 4.393 7.258 37.504 1.00 0.00 H new ATOM 0 HA SER A 28 3.742 7.938 34.769 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.942 6.139 35.870 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.890 6.882 34.283 1.00 0.00 H new ATOM 0 HG SER A 28 7.218 8.071 35.766 1.00 0.00 H new ATOM 357 N PHE A 29 3.661 5.445 33.755 1.00 0.00 N ATOM 358 CA PHE A 29 3.091 4.214 33.219 1.00 0.00 C ATOM 359 C PHE A 29 4.178 3.331 32.613 1.00 0.00 C ATOM 360 O PHE A 29 4.726 3.640 31.554 1.00 0.00 O ATOM 361 CB PHE A 29 2.031 4.535 32.164 1.00 0.00 C ATOM 362 CG PHE A 29 2.596 5.137 30.909 1.00 0.00 C ATOM 363 CD1 PHE A 29 3.044 6.448 30.895 1.00 0.00 C ATOM 364 CD2 PHE A 29 2.681 4.391 29.745 1.00 0.00 C ATOM 365 CE1 PHE A 29 3.564 7.004 29.741 1.00 0.00 C ATOM 366 CE2 PHE A 29 3.200 4.941 28.588 1.00 0.00 C ATOM 367 CZ PHE A 29 3.644 6.249 28.587 1.00 0.00 C ATOM 0 H PHE A 29 4.242 5.963 33.095 1.00 0.00 H new ATOM 0 HA PHE A 29 2.623 3.672 34.040 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.495 3.621 31.909 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.302 5.223 32.591 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.986 7.042 31.795 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.338 3.367 29.741 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.907 8.028 29.742 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.258 4.349 27.686 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.053 6.681 27.685 1.00 0.00 H new ATOM 377 N HIS A 30 4.485 2.230 33.291 1.00 0.00 N ATOM 378 CA HIS A 30 5.506 1.301 32.820 1.00 0.00 C ATOM 379 C HIS A 30 4.889 -0.047 32.460 1.00 0.00 C ATOM 380 O HIS A 30 4.667 -0.891 33.329 1.00 0.00 O ATOM 381 CB HIS A 30 6.585 1.113 33.886 1.00 0.00 C ATOM 382 CG HIS A 30 7.268 2.387 34.279 1.00 0.00 C ATOM 383 ND1 HIS A 30 8.394 2.865 33.642 1.00 0.00 N ATOM 384 CD2 HIS A 30 6.977 3.284 35.250 1.00 0.00 C ATOM 385 CE1 HIS A 30 8.767 4.001 34.204 1.00 0.00 C ATOM 386 NE2 HIS A 30 7.924 4.278 35.182 1.00 0.00 N ATOM 0 H HIS A 30 4.041 1.959 34.169 1.00 0.00 H new ATOM 0 HA HIS A 30 5.961 1.723 31.924 1.00 0.00 H new ATOM 0 HB2 HIS A 30 6.135 0.664 34.771 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.331 0.410 33.516 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.154 3.229 35.948 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.617 4.601 33.913 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.968 5.097 35.789 1.00 0.00 H new ATOM 394 N ARG A 31 4.614 -0.242 31.174 1.00 0.00 N ATOM 395 CA ARG A 31 4.021 -1.486 30.700 1.00 0.00 C ATOM 396 C ARG A 31 4.865 -2.686 31.122 1.00 0.00 C ATOM 397 O ARG A 31 5.903 -2.532 31.765 1.00 0.00 O ATOM 398 CB ARG A 31 3.878 -1.460 29.177 1.00 0.00 C ATOM 399 CG ARG A 31 5.194 -1.252 28.445 1.00 0.00 C ATOM 400 CD ARG A 31 5.371 0.197 28.019 1.00 0.00 C ATOM 401 NE ARG A 31 6.583 0.788 28.580 1.00 0.00 N ATOM 402 CZ ARG A 31 6.883 2.078 28.485 1.00 0.00 C ATOM 403 NH1 ARG A 31 6.063 2.909 27.855 1.00 0.00 N ATOM 404 NH2 ARG A 31 8.005 2.541 29.021 1.00 0.00 N ATOM 0 H ARG A 31 4.793 0.446 30.442 1.00 0.00 H new ATOM 0 HA ARG A 31 3.033 -1.582 31.149 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.432 -2.398 28.846 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.188 -0.664 28.899 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.021 -1.546 29.091 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.230 -1.897 27.567 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.410 0.253 26.931 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.504 0.777 28.337 1.00 0.00 H new ATOM 0 HE ARG A 31 7.235 0.176 29.072 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.199 2.558 27.442 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.296 3.899 27.784 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.638 1.906 29.507 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.234 3.532 28.947 1.00 0.00 H new ATOM 418 N PHE A 32 4.411 -3.880 30.756 1.00 0.00 N ATOM 419 CA PHE A 32 5.123 -5.106 31.097 1.00 0.00 C ATOM 420 C PHE A 32 6.450 -5.191 30.349 1.00 0.00 C ATOM 421 O PHE A 32 6.641 -4.574 29.301 1.00 0.00 O ATOM 422 CB PHE A 32 4.262 -6.328 30.772 1.00 0.00 C ATOM 423 CG PHE A 32 3.218 -6.620 31.811 1.00 0.00 C ATOM 424 CD1 PHE A 32 2.301 -5.650 32.183 1.00 0.00 C ATOM 425 CD2 PHE A 32 3.153 -7.865 32.416 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.339 -5.916 33.139 1.00 0.00 C ATOM 427 CE2 PHE A 32 2.193 -8.137 33.373 1.00 0.00 C ATOM 428 CZ PHE A 32 1.285 -7.161 33.735 1.00 0.00 C ATOM 0 H PHE A 32 3.553 -4.025 30.223 1.00 0.00 H new ATOM 0 HA PHE A 32 5.330 -5.090 32.167 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.773 -6.172 29.811 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.908 -7.199 30.663 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.338 -4.675 31.720 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.860 -8.632 32.137 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.630 -5.151 33.420 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.153 -9.111 33.837 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.534 -7.371 34.483 1.00 0.00 H new ATOM 438 N PRO A 33 7.390 -5.973 30.900 1.00 0.00 N ATOM 439 CA PRO A 33 8.716 -6.158 30.302 1.00 0.00 C ATOM 440 C PRO A 33 8.662 -6.965 29.010 1.00 0.00 C ATOM 441 O PRO A 33 7.918 -7.942 28.906 1.00 0.00 O ATOM 442 CB PRO A 33 9.487 -6.925 31.380 1.00 0.00 C ATOM 443 CG PRO A 33 8.437 -7.635 32.163 1.00 0.00 C ATOM 444 CD PRO A 33 7.231 -6.738 32.148 1.00 0.00 C ATOM 0 HA PRO A 33 9.174 -5.209 30.025 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.194 -7.627 30.938 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.063 -6.249 32.012 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.208 -8.604 31.720 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.771 -7.822 33.183 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.304 -7.311 32.153 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.206 -6.084 33.020 1.00 0.00 H new ATOM 452 N LEU A 34 9.454 -6.552 28.027 1.00 0.00 N ATOM 453 CA LEU A 34 9.497 -7.238 26.740 1.00 0.00 C ATOM 454 C LEU A 34 10.242 -8.564 26.854 1.00 0.00 C ATOM 455 O LEU A 34 10.205 -9.388 25.940 1.00 0.00 O ATOM 456 CB LEU A 34 10.168 -6.351 25.689 1.00 0.00 C ATOM 457 CG LEU A 34 9.397 -5.096 25.278 1.00 0.00 C ATOM 458 CD1 LEU A 34 7.965 -5.159 25.787 1.00 0.00 C ATOM 459 CD2 LEU A 34 10.095 -3.848 25.796 1.00 0.00 C ATOM 0 H LEU A 34 10.075 -5.746 28.096 1.00 0.00 H new ATOM 0 HA LEU A 34 8.472 -7.444 26.432 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.143 -6.046 26.069 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.347 -6.951 24.797 1.00 0.00 H new ATOM 0 HG LEU A 34 9.372 -5.048 24.189 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.432 -4.258 25.485 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.468 -6.033 25.367 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.968 -5.232 26.875 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.532 -2.965 25.494 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.152 -3.888 26.884 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.102 -3.796 25.382 1.00 0.00 H new ATOM 471 N ASP A 35 10.915 -8.763 27.981 1.00 0.00 N ATOM 472 CA ASP A 35 11.666 -9.991 28.217 1.00 0.00 C ATOM 473 C ASP A 35 10.762 -11.081 28.784 1.00 0.00 C ATOM 474 O ASP A 35 9.825 -10.814 29.538 1.00 0.00 O ATOM 475 CB ASP A 35 12.830 -9.726 29.174 1.00 0.00 C ATOM 476 CG ASP A 35 14.156 -10.209 28.620 1.00 0.00 C ATOM 477 OD1 ASP A 35 14.412 -9.989 27.417 1.00 0.00 O ATOM 478 OD2 ASP A 35 14.938 -10.806 29.389 1.00 0.00 O ATOM 0 H ASP A 35 10.956 -8.090 28.746 1.00 0.00 H new ATOM 0 HA ASP A 35 12.063 -10.335 27.262 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.893 -8.657 29.378 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.635 -10.221 30.125 1.00 0.00 H new ATOM 483 N PRO A 36 11.047 -12.338 28.415 1.00 0.00 N ATOM 484 CA PRO A 36 10.271 -13.493 28.875 1.00 0.00 C ATOM 485 C PRO A 36 10.479 -13.778 30.359 1.00 0.00 C ATOM 486 O PRO A 36 9.536 -14.108 31.077 1.00 0.00 O ATOM 487 CB PRO A 36 10.814 -14.646 28.028 1.00 0.00 C ATOM 488 CG PRO A 36 12.195 -14.226 27.657 1.00 0.00 C ATOM 489 CD PRO A 36 12.148 -12.729 27.519 1.00 0.00 C ATOM 0 HA PRO A 36 9.199 -13.333 28.764 1.00 0.00 H new ATOM 0 HB2 PRO A 36 10.822 -15.580 28.589 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.199 -14.811 27.143 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.913 -14.525 28.421 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.508 -14.695 26.724 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.090 -12.268 27.816 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.955 -12.426 26.490 1.00 0.00 H new ATOM 497 N LYS A 37 11.721 -13.648 30.812 1.00 0.00 N ATOM 498 CA LYS A 37 12.055 -13.889 32.211 1.00 0.00 C ATOM 499 C LYS A 37 11.215 -13.008 33.130 1.00 0.00 C ATOM 500 O LYS A 37 10.708 -13.469 34.154 1.00 0.00 O ATOM 501 CB LYS A 37 13.543 -13.626 32.455 1.00 0.00 C ATOM 502 CG LYS A 37 14.452 -14.703 31.890 1.00 0.00 C ATOM 503 CD LYS A 37 15.258 -14.190 30.709 1.00 0.00 C ATOM 504 CE LYS A 37 16.504 -15.031 30.476 1.00 0.00 C ATOM 505 NZ LYS A 37 16.193 -16.296 29.755 1.00 0.00 N ATOM 0 H LYS A 37 12.514 -13.377 30.230 1.00 0.00 H new ATOM 0 HA LYS A 37 11.835 -14.933 32.436 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.811 -12.667 32.012 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.717 -13.541 33.528 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.129 -15.054 32.669 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.853 -15.559 31.579 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.638 -14.200 29.812 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.545 -13.154 30.886 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.229 -14.454 29.901 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.969 -15.264 31.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.068 -16.840 29.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.521 -16.858 30.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.773 -16.074 28.830 1.00 0.00 H new ATOM 519 N ARG A 38 11.070 -11.741 32.758 1.00 0.00 N ATOM 520 CA ARG A 38 10.291 -10.796 33.550 1.00 0.00 C ATOM 521 C ARG A 38 8.810 -10.878 33.190 1.00 0.00 C ATOM 522 O ARG A 38 7.954 -10.994 34.067 1.00 0.00 O ATOM 523 CB ARG A 38 10.802 -9.371 33.331 1.00 0.00 C ATOM 524 CG ARG A 38 12.307 -9.233 33.488 1.00 0.00 C ATOM 525 CD ARG A 38 12.744 -9.490 34.922 1.00 0.00 C ATOM 526 NE ARG A 38 14.152 -9.165 35.131 1.00 0.00 N ATOM 527 CZ ARG A 38 14.824 -9.483 36.233 1.00 0.00 C ATOM 528 NH1 ARG A 38 14.218 -10.130 37.219 1.00 0.00 N ATOM 529 NH2 ARG A 38 16.104 -9.153 36.349 1.00 0.00 N ATOM 0 H ARG A 38 11.482 -11.345 31.913 1.00 0.00 H new ATOM 0 HA ARG A 38 10.407 -11.058 34.602 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.518 -9.042 32.332 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.309 -8.704 34.038 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.809 -9.935 32.822 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.615 -8.232 33.187 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.130 -8.897 35.600 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.573 -10.537 35.171 1.00 0.00 H new ATOM 0 HE ARG A 38 14.647 -8.667 34.391 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.234 -10.385 37.133 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.736 -10.373 38.064 1.00 0.00 H new ATOM 0 HH21 ARG A 38 16.573 -8.655 35.592 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.619 -9.397 37.195 1.00 0.00 H new ATOM 543 N ARG A 39 8.516 -10.817 31.896 1.00 0.00 N ATOM 544 CA ARG A 39 7.139 -10.882 31.421 1.00 0.00 C ATOM 545 C ARG A 39 6.329 -11.884 32.238 1.00 0.00 C ATOM 546 O ARG A 39 5.254 -11.563 32.745 1.00 0.00 O ATOM 547 CB ARG A 39 7.106 -11.268 29.941 1.00 0.00 C ATOM 548 CG ARG A 39 5.701 -11.378 29.372 1.00 0.00 C ATOM 549 CD ARG A 39 5.413 -12.783 28.867 1.00 0.00 C ATOM 550 NE ARG A 39 4.531 -12.777 27.703 1.00 0.00 N ATOM 551 CZ ARG A 39 4.415 -13.800 26.863 1.00 0.00 C ATOM 552 NH1 ARG A 39 5.120 -14.905 27.058 1.00 0.00 N ATOM 553 NH2 ARG A 39 3.591 -13.718 25.826 1.00 0.00 N ATOM 0 H ARG A 39 9.213 -10.723 31.157 1.00 0.00 H new ATOM 0 HA ARG A 39 6.692 -9.895 31.542 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.664 -10.527 29.368 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.617 -12.222 29.811 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.975 -11.110 30.139 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.581 -10.665 28.556 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.351 -13.274 28.608 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.956 -13.368 29.665 1.00 0.00 H new ATOM 0 HE ARG A 39 3.973 -11.942 27.525 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.754 -14.972 27.855 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.029 -15.689 26.412 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.046 -12.869 25.673 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.502 -14.504 25.182 1.00 0.00 H new ATOM 567 N LYS A 40 6.852 -13.099 32.360 1.00 0.00 N ATOM 568 CA LYS A 40 6.179 -14.149 33.116 1.00 0.00 C ATOM 569 C LYS A 40 6.084 -13.781 34.593 1.00 0.00 C ATOM 570 O LYS A 40 5.067 -14.031 35.239 1.00 0.00 O ATOM 571 CB LYS A 40 6.924 -15.477 32.957 1.00 0.00 C ATOM 572 CG LYS A 40 7.223 -15.838 31.512 1.00 0.00 C ATOM 573 CD LYS A 40 8.418 -16.770 31.407 1.00 0.00 C ATOM 574 CE LYS A 40 8.202 -18.046 32.206 1.00 0.00 C ATOM 575 NZ LYS A 40 7.408 -19.050 31.443 1.00 0.00 N ATOM 0 H LYS A 40 7.740 -13.381 31.945 1.00 0.00 H new ATOM 0 HA LYS A 40 5.169 -14.256 32.721 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.861 -15.427 33.511 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.330 -16.273 33.406 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.349 -16.313 31.066 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.417 -14.930 30.942 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.595 -17.020 30.361 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.311 -16.260 31.768 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.168 -18.474 32.474 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.688 -17.809 33.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.282 -19.905 32.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.477 -18.651 31.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.910 -19.296 30.566 1.00 0.00 H new ATOM 589 N GLU A 41 7.149 -13.186 35.120 1.00 0.00 N ATOM 590 CA GLU A 41 7.183 -12.783 36.521 1.00 0.00 C ATOM 591 C GLU A 41 6.072 -11.783 36.827 1.00 0.00 C ATOM 592 O GLU A 41 5.216 -12.032 37.677 1.00 0.00 O ATOM 593 CB GLU A 41 8.543 -12.172 36.866 1.00 0.00 C ATOM 594 CG GLU A 41 9.413 -13.070 37.729 1.00 0.00 C ATOM 595 CD GLU A 41 8.847 -13.267 39.122 1.00 0.00 C ATOM 596 OE1 GLU A 41 9.173 -12.456 40.014 1.00 0.00 O ATOM 597 OE2 GLU A 41 8.079 -14.231 39.320 1.00 0.00 O ATOM 0 H GLU A 41 7.999 -12.972 34.599 1.00 0.00 H new ATOM 0 HA GLU A 41 7.026 -13.672 37.132 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.075 -11.945 35.942 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.386 -11.226 37.384 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.520 -14.040 37.244 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.411 -12.639 37.804 1.00 0.00 H new ATOM 604 N TRP A 42 6.092 -10.653 36.130 1.00 0.00 N ATOM 605 CA TRP A 42 5.086 -9.616 36.327 1.00 0.00 C ATOM 606 C TRP A 42 3.689 -10.220 36.404 1.00 0.00 C ATOM 607 O TRP A 42 2.954 -9.989 37.364 1.00 0.00 O ATOM 608 CB TRP A 42 5.152 -8.591 35.193 1.00 0.00 C ATOM 609 CG TRP A 42 6.323 -7.662 35.298 1.00 0.00 C ATOM 610 CD1 TRP A 42 7.629 -8.010 35.495 1.00 0.00 C ATOM 611 CD2 TRP A 42 6.294 -6.234 35.214 1.00 0.00 C ATOM 612 NE1 TRP A 42 8.414 -6.883 35.538 1.00 0.00 N ATOM 613 CE2 TRP A 42 7.619 -5.780 35.367 1.00 0.00 C ATOM 614 CE3 TRP A 42 5.279 -5.293 35.021 1.00 0.00 C ATOM 615 CZ2 TRP A 42 7.951 -4.429 35.335 1.00 0.00 C ATOM 616 CZ3 TRP A 42 5.610 -3.952 34.990 1.00 0.00 C ATOM 617 CH2 TRP A 42 6.937 -3.530 35.146 1.00 0.00 C ATOM 0 H TRP A 42 6.794 -10.431 35.424 1.00 0.00 H new ATOM 0 HA TRP A 42 5.296 -9.115 37.272 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.200 -9.117 34.240 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.233 -8.006 35.188 1.00 0.00 H new ATOM 0 HD1 TRP A 42 7.991 -9.022 35.601 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.425 -6.870 35.675 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.253 -5.609 34.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.973 -4.102 35.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.833 -3.217 34.843 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.164 -2.475 35.116 1.00 0.00 H new ATOM 628 N VAL A 43 3.327 -10.994 35.386 1.00 0.00 N ATOM 629 CA VAL A 43 2.017 -11.633 35.339 1.00 0.00 C ATOM 630 C VAL A 43 1.838 -12.606 36.498 1.00 0.00 C ATOM 631 O VAL A 43 0.714 -12.912 36.898 1.00 0.00 O ATOM 632 CB VAL A 43 1.807 -12.387 34.013 1.00 0.00 C ATOM 633 CG1 VAL A 43 0.396 -12.950 33.935 1.00 0.00 C ATOM 634 CG2 VAL A 43 2.091 -11.473 32.830 1.00 0.00 C ATOM 0 H VAL A 43 3.923 -11.194 34.582 1.00 0.00 H new ATOM 0 HA VAL A 43 1.275 -10.838 35.418 1.00 0.00 H new ATOM 0 HB VAL A 43 2.507 -13.221 33.975 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.267 -13.479 32.991 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.233 -13.640 34.763 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.325 -12.135 33.995 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.938 -12.022 31.901 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.417 -10.617 32.861 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.122 -11.124 32.879 1.00 0.00 H new ATOM 644 N ARG A 44 2.954 -13.090 37.035 1.00 0.00 N ATOM 645 CA ARG A 44 2.920 -14.030 38.149 1.00 0.00 C ATOM 646 C ARG A 44 2.952 -13.292 39.484 1.00 0.00 C ATOM 647 O ARG A 44 2.569 -13.841 40.518 1.00 0.00 O ATOM 648 CB ARG A 44 4.101 -14.998 38.062 1.00 0.00 C ATOM 649 CG ARG A 44 4.661 -15.400 39.417 1.00 0.00 C ATOM 650 CD ARG A 44 5.562 -16.620 39.308 1.00 0.00 C ATOM 651 NE ARG A 44 4.878 -17.753 38.691 1.00 0.00 N ATOM 652 CZ ARG A 44 3.969 -18.492 39.318 1.00 0.00 C ATOM 653 NH1 ARG A 44 3.637 -18.219 40.572 1.00 0.00 N ATOM 654 NH2 ARG A 44 3.390 -19.508 38.689 1.00 0.00 N ATOM 0 H ARG A 44 3.892 -12.847 36.717 1.00 0.00 H new ATOM 0 HA ARG A 44 1.990 -14.595 38.087 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.786 -15.895 37.528 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.894 -14.538 37.473 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.223 -14.568 39.841 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.841 -15.612 40.102 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.445 -16.367 38.722 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.909 -16.904 40.301 1.00 0.00 H new ATOM 0 HE ARG A 44 5.111 -17.990 37.727 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.080 -17.440 41.059 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.939 -18.788 41.050 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.643 -19.721 37.724 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.692 -20.075 39.171 1.00 0.00 H new ATOM 668 N LEU A 45 3.411 -12.045 39.455 1.00 0.00 N ATOM 669 CA LEU A 45 3.492 -11.231 40.663 1.00 0.00 C ATOM 670 C LEU A 45 2.190 -10.474 40.899 1.00 0.00 C ATOM 671 O LEU A 45 1.712 -10.376 42.029 1.00 0.00 O ATOM 672 CB LEU A 45 4.657 -10.245 40.559 1.00 0.00 C ATOM 673 CG LEU A 45 6.059 -10.849 40.658 1.00 0.00 C ATOM 674 CD1 LEU A 45 7.025 -10.107 39.748 1.00 0.00 C ATOM 675 CD2 LEU A 45 6.551 -10.821 42.098 1.00 0.00 C ATOM 0 H LEU A 45 3.733 -11.576 38.608 1.00 0.00 H new ATOM 0 HA LEU A 45 3.661 -11.897 41.509 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.577 -9.718 39.608 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.548 -9.500 41.347 1.00 0.00 H new ATOM 0 HG LEU A 45 6.010 -11.888 40.332 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.017 -10.551 39.832 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.681 -10.179 38.716 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.070 -9.059 40.043 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.550 -11.255 42.150 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.584 -9.790 42.451 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.872 -11.398 42.726 1.00 0.00 H new ATOM 687 N VAL A 46 1.617 -9.942 39.823 1.00 0.00 N ATOM 688 CA VAL A 46 0.368 -9.196 39.912 1.00 0.00 C ATOM 689 C VAL A 46 -0.762 -10.077 40.434 1.00 0.00 C ATOM 690 O VAL A 46 -1.690 -9.595 41.083 1.00 0.00 O ATOM 691 CB VAL A 46 -0.038 -8.616 38.545 1.00 0.00 C ATOM 692 CG1 VAL A 46 0.214 -9.629 37.438 1.00 0.00 C ATOM 693 CG2 VAL A 46 -1.497 -8.184 38.561 1.00 0.00 C ATOM 0 H VAL A 46 1.999 -10.014 38.880 1.00 0.00 H new ATOM 0 HA VAL A 46 0.538 -8.376 40.610 1.00 0.00 H new ATOM 0 HB VAL A 46 0.575 -7.737 38.347 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.079 -9.201 36.479 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.273 -9.884 37.413 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.372 -10.529 37.628 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.767 -7.777 37.587 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.129 -9.044 38.782 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.642 -7.421 39.326 1.00 0.00 H new ATOM 703 N ARG A 47 -0.677 -11.372 40.145 1.00 0.00 N ATOM 704 CA ARG A 47 -1.692 -12.321 40.584 1.00 0.00 C ATOM 705 C ARG A 47 -3.010 -12.084 39.852 1.00 0.00 C ATOM 706 O ARG A 47 -3.891 -11.383 40.351 1.00 0.00 O ATOM 707 CB ARG A 47 -1.907 -12.208 42.094 1.00 0.00 C ATOM 708 CG ARG A 47 -1.947 -13.551 42.806 1.00 0.00 C ATOM 709 CD ARG A 47 -2.401 -13.403 44.250 1.00 0.00 C ATOM 710 NE ARG A 47 -1.475 -14.039 45.183 1.00 0.00 N ATOM 711 CZ ARG A 47 -0.331 -13.488 45.574 1.00 0.00 C ATOM 712 NH1 ARG A 47 0.025 -12.296 45.116 1.00 0.00 N ATOM 713 NH2 ARG A 47 0.458 -14.130 46.426 1.00 0.00 N ATOM 0 H ARG A 47 0.085 -11.787 39.609 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.341 -13.326 40.348 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.108 -11.603 42.522 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.842 -11.679 42.281 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.623 -14.224 42.278 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.958 -14.008 42.780 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.492 -12.345 44.495 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.391 -13.843 44.366 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.720 -14.957 45.555 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.580 -11.800 44.462 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.904 -11.875 45.418 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.186 -15.047 46.781 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.336 -13.707 46.726 1.00 0.00 H new ATOM 727 N ARG A 48 -3.138 -12.673 38.668 1.00 0.00 N ATOM 728 CA ARG A 48 -4.347 -12.525 37.867 1.00 0.00 C ATOM 729 C ARG A 48 -4.673 -13.820 37.129 1.00 0.00 C ATOM 730 O ARG A 48 -3.792 -14.642 36.876 1.00 0.00 O ATOM 731 CB ARG A 48 -4.183 -11.381 36.864 1.00 0.00 C ATOM 732 CG ARG A 48 -4.312 -10.001 37.487 1.00 0.00 C ATOM 733 CD ARG A 48 -5.758 -9.533 37.512 1.00 0.00 C ATOM 734 NE ARG A 48 -5.872 -8.124 37.875 1.00 0.00 N ATOM 735 CZ ARG A 48 -6.972 -7.403 37.690 1.00 0.00 C ATOM 736 NH1 ARG A 48 -8.048 -7.958 37.149 1.00 0.00 N ATOM 737 NH2 ARG A 48 -6.998 -6.125 38.047 1.00 0.00 N ATOM 0 H ARG A 48 -2.419 -13.258 38.242 1.00 0.00 H new ATOM 0 HA ARG A 48 -5.172 -12.294 38.540 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.207 -11.465 36.387 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.932 -11.487 36.079 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.918 -10.021 38.503 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.708 -9.289 36.925 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.207 -9.692 36.532 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.322 -10.137 38.223 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.062 -7.668 38.294 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.032 -8.940 36.874 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.892 -7.403 37.008 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.172 -5.695 38.464 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.844 -5.573 37.904 1.00 0.00 H new ATOM 751 N LYS A 49 -5.945 -13.996 36.788 1.00 0.00 N ATOM 752 CA LYS A 49 -6.389 -15.191 36.079 1.00 0.00 C ATOM 753 C LYS A 49 -6.468 -14.934 34.577 1.00 0.00 C ATOM 754 O LYS A 49 -7.125 -13.994 34.133 1.00 0.00 O ATOM 755 CB LYS A 49 -7.754 -15.642 36.602 1.00 0.00 C ATOM 756 CG LYS A 49 -7.675 -16.779 37.606 1.00 0.00 C ATOM 757 CD LYS A 49 -8.457 -16.462 38.870 1.00 0.00 C ATOM 758 CE LYS A 49 -9.951 -16.383 38.597 1.00 0.00 C ATOM 759 NZ LYS A 49 -10.711 -15.931 39.795 1.00 0.00 N ATOM 0 H LYS A 49 -6.687 -13.326 36.991 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.660 -15.981 36.257 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.255 -14.792 37.066 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.371 -15.954 35.760 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.065 -17.692 37.155 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.632 -16.969 37.860 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.263 -17.228 39.620 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.111 -15.515 39.285 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.133 -15.696 37.771 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.315 -17.362 38.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.725 -15.890 39.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.558 -16.600 40.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.382 -14.986 40.079 1.00 0.00 H new ATOM 773 N ASN A 50 -5.794 -15.777 33.801 1.00 0.00 N ATOM 774 CA ASN A 50 -5.789 -15.641 32.349 1.00 0.00 C ATOM 775 C ASN A 50 -5.477 -14.206 31.938 1.00 0.00 C ATOM 776 O ASN A 50 -6.027 -13.695 30.962 1.00 0.00 O ATOM 777 CB ASN A 50 -7.141 -16.067 31.772 1.00 0.00 C ATOM 778 CG ASN A 50 -7.064 -16.380 30.290 1.00 0.00 C ATOM 779 OD1 ASN A 50 -6.212 -15.851 29.576 1.00 0.00 O ATOM 780 ND2 ASN A 50 -7.957 -17.244 29.821 1.00 0.00 N ATOM 0 H ASN A 50 -5.245 -16.561 34.153 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.010 -16.291 31.950 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.501 -16.945 32.308 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.869 -15.273 31.936 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.955 -17.494 28.832 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.645 -17.658 30.450 1.00 0.00 H new ATOM 787 N PHE A 51 -4.591 -13.561 32.689 1.00 0.00 N ATOM 788 CA PHE A 51 -4.205 -12.184 32.403 1.00 0.00 C ATOM 789 C PHE A 51 -2.859 -12.133 31.686 1.00 0.00 C ATOM 790 O PHE A 51 -2.048 -13.053 31.798 1.00 0.00 O ATOM 791 CB PHE A 51 -4.136 -11.372 33.698 1.00 0.00 C ATOM 792 CG PHE A 51 -3.386 -10.078 33.556 1.00 0.00 C ATOM 793 CD1 PHE A 51 -2.015 -10.075 33.357 1.00 0.00 C ATOM 794 CD2 PHE A 51 -4.053 -8.865 33.620 1.00 0.00 C ATOM 795 CE1 PHE A 51 -1.323 -8.886 33.226 1.00 0.00 C ATOM 796 CE2 PHE A 51 -3.366 -7.673 33.489 1.00 0.00 C ATOM 797 CZ PHE A 51 -1.999 -7.683 33.291 1.00 0.00 C ATOM 0 H PHE A 51 -4.127 -13.969 33.500 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.961 -11.750 31.749 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.149 -11.160 34.039 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.660 -11.976 34.471 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.481 -11.012 33.304 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.122 -8.851 33.774 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.254 -8.897 33.073 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.898 -6.734 33.541 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.460 -6.753 33.187 1.00 0.00 H new ATOM 807 N VAL A 52 -2.628 -11.052 30.948 1.00 0.00 N ATOM 808 CA VAL A 52 -1.381 -10.880 30.212 1.00 0.00 C ATOM 809 C VAL A 52 -1.334 -9.522 29.521 1.00 0.00 C ATOM 810 O VAL A 52 -2.345 -9.004 29.047 1.00 0.00 O ATOM 811 CB VAL A 52 -1.194 -11.988 29.159 1.00 0.00 C ATOM 812 CG1 VAL A 52 -0.715 -11.397 27.842 1.00 0.00 C ATOM 813 CG2 VAL A 52 -0.223 -13.044 29.663 1.00 0.00 C ATOM 0 H VAL A 52 -3.288 -10.282 30.844 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.572 -10.941 30.940 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.158 -12.467 28.986 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.588 -12.195 27.110 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.451 -10.681 27.475 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.238 -10.891 27.996 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.103 -13.819 28.906 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.743 -12.582 29.866 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.612 -13.489 30.579 1.00 0.00 H new ATOM 823 N PRO A 53 -0.131 -8.931 29.460 1.00 0.00 N ATOM 824 CA PRO A 53 0.078 -7.625 28.827 1.00 0.00 C ATOM 825 C PRO A 53 -0.079 -7.685 27.311 1.00 0.00 C ATOM 826 O PRO A 53 0.715 -8.322 26.620 1.00 0.00 O ATOM 827 CB PRO A 53 1.520 -7.276 29.203 1.00 0.00 C ATOM 828 CG PRO A 53 2.179 -8.591 29.438 1.00 0.00 C ATOM 829 CD PRO A 53 1.117 -9.492 30.004 1.00 0.00 C ATOM 0 HA PRO A 53 -0.653 -6.888 29.159 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.014 -6.723 28.405 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.556 -6.650 30.095 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.581 -8.997 28.510 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.015 -8.490 30.130 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.261 -10.527 29.694 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.121 -9.482 31.094 1.00 0.00 H new ATOM 837 N GLY A 54 -1.108 -7.015 26.800 1.00 0.00 N ATOM 838 CA GLY A 54 -1.349 -7.004 25.369 1.00 0.00 C ATOM 839 C GLY A 54 -1.660 -5.617 24.844 1.00 0.00 C ATOM 840 O GLY A 54 -1.219 -5.242 23.757 1.00 0.00 O ATOM 0 H GLY A 54 -1.779 -6.480 27.352 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.473 -7.396 24.853 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.180 -7.671 25.138 1.00 0.00 H new ATOM 844 N LYS A 55 -2.424 -4.851 25.616 1.00 0.00 N ATOM 845 CA LYS A 55 -2.795 -3.497 25.224 1.00 0.00 C ATOM 846 C LYS A 55 -3.457 -2.757 26.382 1.00 0.00 C ATOM 847 O LYS A 55 -4.436 -3.233 26.958 1.00 0.00 O ATOM 848 CB LYS A 55 -3.742 -3.534 24.022 1.00 0.00 C ATOM 849 CG LYS A 55 -3.376 -2.544 22.929 1.00 0.00 C ATOM 850 CD LYS A 55 -4.159 -2.807 21.654 1.00 0.00 C ATOM 851 CE LYS A 55 -4.504 -1.512 20.935 1.00 0.00 C ATOM 852 NZ LYS A 55 -3.384 -0.532 20.989 1.00 0.00 N ATOM 0 H LYS A 55 -2.798 -5.146 26.518 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.886 -2.964 24.947 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.745 -4.540 23.603 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.757 -3.328 24.363 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.573 -1.529 23.275 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.308 -2.608 22.721 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.575 -3.447 20.993 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.075 -3.347 21.893 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.748 -1.728 19.895 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.393 -1.072 21.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.416 0.079 20.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.475 0.052 21.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.478 -1.042 21.012 1.00 0.00 H new ATOM 866 N HIS A 56 -2.916 -1.590 26.719 1.00 0.00 N ATOM 867 CA HIS A 56 -3.456 -0.783 27.808 1.00 0.00 C ATOM 868 C HIS A 56 -3.030 -1.343 29.161 1.00 0.00 C ATOM 869 O HIS A 56 -3.377 -0.796 30.209 1.00 0.00 O ATOM 870 CB HIS A 56 -4.981 -0.728 27.722 1.00 0.00 C ATOM 871 CG HIS A 56 -5.502 -0.691 26.318 1.00 0.00 C ATOM 872 ND1 HIS A 56 -6.637 -1.364 25.919 1.00 0.00 N ATOM 873 CD2 HIS A 56 -5.036 -0.055 25.218 1.00 0.00 C ATOM 874 CE1 HIS A 56 -6.846 -1.145 24.633 1.00 0.00 C ATOM 875 NE2 HIS A 56 -5.889 -0.353 24.184 1.00 0.00 N ATOM 0 H HIS A 56 -2.105 -1.182 26.254 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.058 0.227 27.711 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.397 -1.597 28.232 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -5.335 0.154 28.255 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -4.157 0.570 25.164 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.661 -1.545 24.048 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -5.798 -0.017 23.225 1.00 0.00 H new ATOM 883 N THR A 57 -2.276 -2.438 29.133 1.00 0.00 N ATOM 884 CA THR A 57 -1.805 -3.073 30.357 1.00 0.00 C ATOM 885 C THR A 57 -0.539 -2.400 30.874 1.00 0.00 C ATOM 886 O THR A 57 0.505 -2.433 30.221 1.00 0.00 O ATOM 887 CB THR A 57 -1.523 -4.572 30.140 1.00 0.00 C ATOM 888 OG1 THR A 57 -2.752 -5.276 29.929 1.00 0.00 O ATOM 889 CG2 THR A 57 -0.793 -5.164 31.336 1.00 0.00 C ATOM 0 H THR A 57 -1.979 -2.903 28.275 1.00 0.00 H new ATOM 0 HA THR A 57 -2.599 -2.963 31.095 1.00 0.00 H new ATOM 0 HB THR A 57 -0.889 -4.676 29.259 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.584 -6.241 29.949 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.605 -6.223 31.160 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.155 -4.645 31.477 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.406 -5.048 32.230 1.00 0.00 H new ATOM 897 N PHE A 58 -0.637 -1.789 32.050 1.00 0.00 N ATOM 898 CA PHE A 58 0.501 -1.107 32.654 1.00 0.00 C ATOM 899 C PHE A 58 0.447 -1.203 34.176 1.00 0.00 C ATOM 900 O PHE A 58 -0.591 -1.528 34.753 1.00 0.00 O ATOM 901 CB PHE A 58 0.529 0.362 32.225 1.00 0.00 C ATOM 902 CG PHE A 58 0.162 1.315 33.326 1.00 0.00 C ATOM 903 CD1 PHE A 58 1.130 1.809 34.185 1.00 0.00 C ATOM 904 CD2 PHE A 58 -1.152 1.718 33.502 1.00 0.00 C ATOM 905 CE1 PHE A 58 0.794 2.685 35.200 1.00 0.00 C ATOM 906 CE2 PHE A 58 -1.494 2.595 34.514 1.00 0.00 C ATOM 907 CZ PHE A 58 -0.519 3.080 35.364 1.00 0.00 C ATOM 0 H PHE A 58 -1.493 -1.752 32.604 1.00 0.00 H new ATOM 0 HA PHE A 58 1.411 -1.597 32.308 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.527 0.607 31.861 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.158 0.502 31.390 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.159 1.506 34.060 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.918 1.342 32.840 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.558 3.060 35.865 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.522 2.901 34.640 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.783 3.766 36.155 1.00 0.00 H new ATOM 917 N LEU A 59 1.573 -0.918 34.821 1.00 0.00 N ATOM 918 CA LEU A 59 1.656 -0.973 36.277 1.00 0.00 C ATOM 919 C LEU A 59 2.202 0.336 36.840 1.00 0.00 C ATOM 920 O LEU A 59 3.155 0.904 36.307 1.00 0.00 O ATOM 921 CB LEU A 59 2.545 -2.139 36.713 1.00 0.00 C ATOM 922 CG LEU A 59 1.884 -3.518 36.724 1.00 0.00 C ATOM 923 CD1 LEU A 59 2.757 -4.521 37.463 1.00 0.00 C ATOM 924 CD2 LEU A 59 0.502 -3.443 37.357 1.00 0.00 C ATOM 0 H LEU A 59 2.441 -0.647 34.359 1.00 0.00 H new ATOM 0 HA LEU A 59 0.650 -1.125 36.669 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.410 -2.178 36.051 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.920 -1.930 37.715 1.00 0.00 H new ATOM 0 HG LEU A 59 1.771 -3.854 35.693 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.271 -5.497 37.461 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.725 -4.596 36.967 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.901 -4.190 38.491 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.047 -4.434 37.356 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.591 -3.085 38.383 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.123 -2.756 36.786 1.00 0.00 H new ATOM 936 N CYS A 60 1.592 0.808 37.922 1.00 0.00 N ATOM 937 CA CYS A 60 2.016 2.048 38.560 1.00 0.00 C ATOM 938 C CYS A 60 3.495 1.991 38.930 1.00 0.00 C ATOM 939 O CYS A 60 4.114 0.927 38.894 1.00 0.00 O ATOM 940 CB CYS A 60 1.176 2.316 39.811 1.00 0.00 C ATOM 941 SG CYS A 60 -0.616 2.102 39.563 1.00 0.00 S ATOM 0 H CYS A 60 0.802 0.350 38.376 1.00 0.00 H new ATOM 0 HA CYS A 60 1.868 2.862 37.850 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.504 1.647 40.606 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.366 3.334 40.152 1.00 0.00 H new ATOM 0 HG CYS A 60 -0.859 0.881 39.187 1.00 0.00 H new ATOM 946 N SER A 61 4.056 3.142 39.286 1.00 0.00 N ATOM 947 CA SER A 61 5.463 3.225 39.660 1.00 0.00 C ATOM 948 C SER A 61 5.627 3.169 41.176 1.00 0.00 C ATOM 949 O SER A 61 6.716 2.906 41.685 1.00 0.00 O ATOM 950 CB SER A 61 6.082 4.513 39.115 1.00 0.00 C ATOM 951 OG SER A 61 5.368 5.652 39.565 1.00 0.00 O ATOM 0 H SER A 61 3.557 4.031 39.323 1.00 0.00 H new ATOM 0 HA SER A 61 5.980 2.370 39.225 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.122 4.583 39.433 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.083 4.487 38.025 1.00 0.00 H new ATOM 0 HG SER A 61 5.784 6.463 39.204 1.00 0.00 H new ATOM 957 N LYS A 62 4.536 3.418 41.892 1.00 0.00 N ATOM 958 CA LYS A 62 4.556 3.396 43.350 1.00 0.00 C ATOM 959 C LYS A 62 4.932 2.012 43.868 1.00 0.00 C ATOM 960 O LYS A 62 5.488 1.876 44.959 1.00 0.00 O ATOM 961 CB LYS A 62 3.190 3.806 43.905 1.00 0.00 C ATOM 962 CG LYS A 62 2.297 2.628 44.254 1.00 0.00 C ATOM 963 CD LYS A 62 0.849 3.057 44.426 1.00 0.00 C ATOM 964 CE LYS A 62 -0.110 1.917 44.122 1.00 0.00 C ATOM 965 NZ LYS A 62 -0.021 0.831 45.136 1.00 0.00 N ATOM 0 H LYS A 62 3.626 3.638 41.486 1.00 0.00 H new ATOM 0 HA LYS A 62 5.308 4.108 43.689 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.337 4.416 44.796 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.682 4.432 43.171 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.363 1.875 43.469 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.651 2.162 45.174 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.690 3.405 45.447 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.637 3.898 43.766 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.130 2.300 44.089 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.110 1.511 43.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.690 0.073 44.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.946 0.448 45.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.256 1.212 46.075 1.00 0.00 H new ATOM 979 N HIS A 63 4.628 0.987 43.078 1.00 0.00 N ATOM 980 CA HIS A 63 4.937 -0.388 43.457 1.00 0.00 C ATOM 981 C HIS A 63 6.445 -0.597 43.559 1.00 0.00 C ATOM 982 O HIS A 63 6.963 -0.946 44.620 1.00 0.00 O ATOM 983 CB HIS A 63 4.342 -1.365 42.442 1.00 0.00 C ATOM 984 CG HIS A 63 2.885 -1.140 42.178 1.00 0.00 C ATOM 985 ND1 HIS A 63 1.912 -1.303 43.141 1.00 0.00 N ATOM 986 CD2 HIS A 63 2.238 -0.762 41.051 1.00 0.00 C ATOM 987 CE1 HIS A 63 0.729 -1.037 42.618 1.00 0.00 C ATOM 988 NE2 HIS A 63 0.899 -0.705 41.351 1.00 0.00 N ATOM 0 H HIS A 63 4.168 1.082 42.172 1.00 0.00 H new ATOM 0 HA HIS A 63 4.495 -0.578 44.435 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.890 -1.280 41.504 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.484 -2.383 42.804 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.690 -0.546 40.094 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.217 -1.083 43.138 1.00 0.00 H new ATOM 0 HE2 HIS A 63 0.156 -0.448 40.701 1.00 0.00 H new ATOM 996 N PHE A 64 7.144 -0.383 42.449 1.00 0.00 N ATOM 997 CA PHE A 64 8.592 -0.550 42.413 1.00 0.00 C ATOM 998 C PHE A 64 9.280 0.467 43.320 1.00 0.00 C ATOM 999 O PHE A 64 8.770 1.565 43.536 1.00 0.00 O ATOM 1000 CB PHE A 64 9.108 -0.403 40.980 1.00 0.00 C ATOM 1001 CG PHE A 64 8.302 -1.169 39.971 1.00 0.00 C ATOM 1002 CD1 PHE A 64 7.160 -0.616 39.414 1.00 0.00 C ATOM 1003 CD2 PHE A 64 8.686 -2.441 39.578 1.00 0.00 C ATOM 1004 CE1 PHE A 64 6.415 -1.319 38.486 1.00 0.00 C ATOM 1005 CE2 PHE A 64 7.946 -3.148 38.650 1.00 0.00 C ATOM 1006 CZ PHE A 64 6.810 -2.586 38.102 1.00 0.00 C ATOM 0 H PHE A 64 6.731 -0.094 41.562 1.00 0.00 H new ATOM 0 HA PHE A 64 8.826 -1.551 42.776 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.107 0.653 40.708 1.00 0.00 H new ATOM 0 HB3 PHE A 64 10.143 -0.741 40.939 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.849 0.375 39.708 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.574 -2.885 40.002 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.525 -0.878 38.062 1.00 0.00 H new ATOM 0 HE2 PHE A 64 8.256 -4.139 38.353 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.231 -3.136 37.375 1.00 0.00 H new ATOM 1016 N GLU A 65 10.440 0.090 43.849 1.00 0.00 N ATOM 1017 CA GLU A 65 11.196 0.968 44.734 1.00 0.00 C ATOM 1018 C GLU A 65 11.911 2.057 43.939 1.00 0.00 C ATOM 1019 O GLU A 65 11.318 3.078 43.594 1.00 0.00 O ATOM 1020 CB GLU A 65 12.214 0.160 45.542 1.00 0.00 C ATOM 1021 CG GLU A 65 11.586 -0.698 46.628 1.00 0.00 C ATOM 1022 CD GLU A 65 12.498 -0.884 47.825 1.00 0.00 C ATOM 1023 OE1 GLU A 65 13.559 -1.523 47.669 1.00 0.00 O ATOM 1024 OE2 GLU A 65 12.150 -0.390 48.918 1.00 0.00 O ATOM 0 H GLU A 65 10.876 -0.817 43.680 1.00 0.00 H new ATOM 0 HA GLU A 65 10.494 1.444 45.419 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.777 -0.482 44.864 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.928 0.845 45.999 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.653 -0.239 46.955 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.333 -1.674 46.214 1.00 0.00 H new ATOM 1031 N ALA A 66 13.189 1.830 43.653 1.00 0.00 N ATOM 1032 CA ALA A 66 13.984 2.790 42.898 1.00 0.00 C ATOM 1033 C ALA A 66 15.071 2.088 42.090 1.00 0.00 C ATOM 1034 O ALA A 66 15.358 2.469 40.955 1.00 0.00 O ATOM 1035 CB ALA A 66 14.601 3.817 43.835 1.00 0.00 C ATOM 0 H ALA A 66 13.695 0.990 43.933 1.00 0.00 H new ATOM 0 HA ALA A 66 13.322 3.303 42.200 1.00 0.00 H new ATOM 0 HB1 ALA A 66 15.192 4.528 43.257 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.810 4.348 44.364 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.244 3.312 44.556 1.00 0.00 H new ATOM 1041 N SER A 67 15.673 1.062 42.683 1.00 0.00 N ATOM 1042 CA SER A 67 16.732 0.310 42.020 1.00 0.00 C ATOM 1043 C SER A 67 16.196 -0.407 40.785 1.00 0.00 C ATOM 1044 O SER A 67 16.964 -0.938 39.980 1.00 0.00 O ATOM 1045 CB SER A 67 17.347 -0.705 42.986 1.00 0.00 C ATOM 1046 OG SER A 67 18.633 -0.288 43.412 1.00 0.00 O ATOM 0 H SER A 67 15.446 0.732 43.621 1.00 0.00 H new ATOM 0 HA SER A 67 17.502 1.014 41.705 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.696 -0.829 43.851 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.419 -1.678 42.499 1.00 0.00 H new ATOM 0 HG SER A 67 19.004 -0.952 44.030 1.00 0.00 H new ATOM 1052 N CYS A 68 14.876 -0.419 40.641 1.00 0.00 N ATOM 1053 CA CYS A 68 14.236 -1.072 39.504 1.00 0.00 C ATOM 1054 C CYS A 68 14.111 -0.112 38.326 1.00 0.00 C ATOM 1055 O CYS A 68 13.600 -0.475 37.266 1.00 0.00 O ATOM 1056 CB CYS A 68 12.855 -1.595 39.901 1.00 0.00 C ATOM 1057 SG CYS A 68 12.857 -3.297 40.510 1.00 0.00 S ATOM 0 H CYS A 68 14.227 0.016 41.297 1.00 0.00 H new ATOM 0 HA CYS A 68 14.860 -1.912 39.200 1.00 0.00 H new ATOM 0 HB2 CYS A 68 12.440 -0.945 40.672 1.00 0.00 H new ATOM 0 HB3 CYS A 68 12.192 -1.530 39.038 1.00 0.00 H new ATOM 0 HG CYS A 68 11.706 -3.848 40.263 1.00 0.00 H new ATOM 1063 N PHE A 69 14.579 1.117 38.519 1.00 0.00 N ATOM 1064 CA PHE A 69 14.517 2.132 37.473 1.00 0.00 C ATOM 1065 C PHE A 69 15.918 2.518 37.006 1.00 0.00 C ATOM 1066 O PHE A 69 16.914 1.977 37.485 1.00 0.00 O ATOM 1067 CB PHE A 69 13.776 3.371 37.978 1.00 0.00 C ATOM 1068 CG PHE A 69 12.354 3.098 38.378 1.00 0.00 C ATOM 1069 CD1 PHE A 69 12.047 2.705 39.671 1.00 0.00 C ATOM 1070 CD2 PHE A 69 11.324 3.233 37.461 1.00 0.00 C ATOM 1071 CE1 PHE A 69 10.740 2.454 40.042 1.00 0.00 C ATOM 1072 CE2 PHE A 69 10.015 2.983 37.826 1.00 0.00 C ATOM 1073 CZ PHE A 69 9.723 2.591 39.118 1.00 0.00 C ATOM 0 H PHE A 69 15.005 1.434 39.390 1.00 0.00 H new ATOM 0 HA PHE A 69 13.973 1.713 36.626 1.00 0.00 H new ATOM 0 HB2 PHE A 69 14.313 3.782 38.833 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.786 4.133 37.199 1.00 0.00 H new ATOM 0 HD1 PHE A 69 12.839 2.594 40.397 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.547 3.537 36.449 1.00 0.00 H new ATOM 0 HE1 PHE A 69 10.514 2.151 41.054 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.221 3.094 37.102 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.701 2.392 39.405 1.00 0.00 H new ATOM 1083 N ASP A 70 15.984 3.456 36.068 1.00 0.00 N ATOM 1084 CA ASP A 70 17.261 3.915 35.535 1.00 0.00 C ATOM 1085 C ASP A 70 17.632 5.277 36.113 1.00 0.00 C ATOM 1086 O ASP A 70 17.512 6.303 35.441 1.00 0.00 O ATOM 1087 CB ASP A 70 17.204 3.994 34.009 1.00 0.00 C ATOM 1088 CG ASP A 70 18.561 3.785 33.366 1.00 0.00 C ATOM 1089 OD1 ASP A 70 19.274 2.845 33.778 1.00 0.00 O ATOM 1090 OD2 ASP A 70 18.910 4.559 32.452 1.00 0.00 O ATOM 0 H ASP A 70 15.168 3.913 35.661 1.00 0.00 H new ATOM 0 HA ASP A 70 18.027 3.195 35.825 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.509 3.242 33.635 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.811 4.967 33.713 1.00 0.00 H new ATOM 1095 N LEU A 71 18.082 5.281 37.363 1.00 0.00 N ATOM 1096 CA LEU A 71 18.470 6.518 38.033 1.00 0.00 C ATOM 1097 C LEU A 71 19.889 6.924 37.647 1.00 0.00 C ATOM 1098 O LEU A 71 20.201 8.111 37.547 1.00 0.00 O ATOM 1099 CB LEU A 71 18.370 6.352 39.551 1.00 0.00 C ATOM 1100 CG LEU A 71 17.181 5.536 40.060 1.00 0.00 C ATOM 1101 CD1 LEU A 71 15.973 5.734 39.157 1.00 0.00 C ATOM 1102 CD2 LEU A 71 17.545 4.062 40.151 1.00 0.00 C ATOM 0 H LEU A 71 18.187 4.442 37.933 1.00 0.00 H new ATOM 0 HA LEU A 71 17.787 7.305 37.714 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.287 5.881 39.906 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.325 7.343 40.003 1.00 0.00 H new ATOM 0 HG LEU A 71 16.924 5.888 41.059 1.00 0.00 H new ATOM 0 HD11 LEU A 71 15.136 5.146 39.534 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.698 6.789 39.143 1.00 0.00 H new ATOM 0 HD13 LEU A 71 16.218 5.409 38.146 1.00 0.00 H new ATOM 0 HD21 LEU A 71 16.687 3.497 40.515 1.00 0.00 H new ATOM 0 HD22 LEU A 71 17.829 3.696 39.164 1.00 0.00 H new ATOM 0 HD23 LEU A 71 18.381 3.935 40.839 1.00 0.00 H new ATOM 1152 N THR A 75 16.678 10.556 34.222 1.00 0.00 N ATOM 1153 CA THR A 75 15.324 10.449 34.752 1.00 0.00 C ATOM 1154 C THR A 75 15.104 9.103 35.432 1.00 0.00 C ATOM 1155 O THR A 75 16.056 8.370 35.702 1.00 0.00 O ATOM 1156 CB THR A 75 14.271 10.629 33.642 1.00 0.00 C ATOM 1157 OG1 THR A 75 12.976 10.822 34.222 1.00 0.00 O ATOM 1158 CG2 THR A 75 14.244 9.420 32.720 1.00 0.00 C ATOM 0 HA THR A 75 15.208 11.246 35.486 1.00 0.00 H new ATOM 0 HB THR A 75 14.541 11.507 33.055 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.360 10.140 33.882 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.493 9.570 31.945 1.00 0.00 H new ATOM 0 HG22 THR A 75 15.223 9.293 32.257 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.997 8.528 33.296 1.00 0.00 H new ATOM 1166 N ARG A 76 13.843 8.782 35.705 1.00 0.00 N ATOM 1167 CA ARG A 76 13.499 7.523 36.354 1.00 0.00 C ATOM 1168 C ARG A 76 12.716 6.619 35.406 1.00 0.00 C ATOM 1169 O ARG A 76 11.499 6.748 35.272 1.00 0.00 O ATOM 1170 CB ARG A 76 12.680 7.784 37.619 1.00 0.00 C ATOM 1171 CG ARG A 76 13.135 6.970 38.819 1.00 0.00 C ATOM 1172 CD ARG A 76 12.029 6.835 39.853 1.00 0.00 C ATOM 1173 NE ARG A 76 11.064 7.929 39.769 1.00 0.00 N ATOM 1174 CZ ARG A 76 11.309 9.160 40.203 1.00 0.00 C ATOM 1175 NH1 ARG A 76 12.482 9.453 40.749 1.00 0.00 N ATOM 1176 NH2 ARG A 76 10.381 10.102 40.091 1.00 0.00 N ATOM 0 H ARG A 76 13.043 9.376 35.487 1.00 0.00 H new ATOM 0 HA ARG A 76 14.426 7.019 36.627 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.738 8.844 37.867 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.633 7.561 37.416 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.450 5.980 38.490 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.004 7.446 39.274 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.513 5.885 39.710 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.467 6.813 40.851 1.00 0.00 H new ATOM 0 HE ARG A 76 10.152 7.737 39.354 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.198 8.732 40.836 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.668 10.399 41.082 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.478 9.881 39.671 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.571 11.047 40.425 1.00 0.00 H new ATOM 1190 N ARG A 77 13.423 5.704 34.750 1.00 0.00 N ATOM 1191 CA ARG A 77 12.796 4.780 33.814 1.00 0.00 C ATOM 1192 C ARG A 77 12.846 3.350 34.344 1.00 0.00 C ATOM 1193 O ARG A 77 13.902 2.866 34.756 1.00 0.00 O ATOM 1194 CB ARG A 77 13.486 4.854 32.451 1.00 0.00 C ATOM 1195 CG ARG A 77 13.277 6.178 31.734 1.00 0.00 C ATOM 1196 CD ARG A 77 13.367 6.014 30.224 1.00 0.00 C ATOM 1197 NE ARG A 77 13.023 7.246 29.519 1.00 0.00 N ATOM 1198 CZ ARG A 77 12.740 7.295 28.222 1.00 0.00 C ATOM 1199 NH1 ARG A 77 12.759 6.187 27.493 1.00 0.00 N ATOM 1200 NH2 ARG A 77 12.435 8.453 27.651 1.00 0.00 N ATOM 0 H ARG A 77 14.431 5.583 34.850 1.00 0.00 H new ATOM 0 HA ARG A 77 11.752 5.071 33.701 1.00 0.00 H new ATOM 0 HB2 ARG A 77 14.555 4.688 32.585 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.114 4.046 31.821 1.00 0.00 H new ATOM 0 HG2 ARG A 77 12.302 6.587 31.999 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.026 6.896 32.068 1.00 0.00 H new ATOM 0 HD2 ARG A 77 14.378 5.711 29.952 1.00 0.00 H new ATOM 0 HD3 ARG A 77 12.698 5.215 29.905 1.00 0.00 H new ATOM 0 HE ARG A 77 12.999 8.116 30.051 1.00 0.00 H new ATOM 0 HH11 ARG A 77 12.991 5.294 27.928 1.00 0.00 H new ATOM 0 HH12 ARG A 77 12.541 6.228 26.497 1.00 0.00 H new ATOM 0 HH21 ARG A 77 12.418 9.307 28.208 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.218 8.489 26.655 1.00 0.00 H new ATOM 1214 N LEU A 78 11.700 2.679 34.333 1.00 0.00 N ATOM 1215 CA LEU A 78 11.613 1.304 34.813 1.00 0.00 C ATOM 1216 C LEU A 78 12.474 0.375 33.964 1.00 0.00 C ATOM 1217 O LEU A 78 12.170 0.121 32.798 1.00 0.00 O ATOM 1218 CB LEU A 78 10.159 0.828 34.795 1.00 0.00 C ATOM 1219 CG LEU A 78 9.873 -0.480 35.533 1.00 0.00 C ATOM 1220 CD1 LEU A 78 10.838 -1.567 35.087 1.00 0.00 C ATOM 1221 CD2 LEU A 78 9.958 -0.274 37.038 1.00 0.00 C ATOM 0 H LEU A 78 10.818 3.065 33.997 1.00 0.00 H new ATOM 0 HA LEU A 78 11.985 1.279 35.837 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.536 1.610 35.228 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.848 0.712 33.757 1.00 0.00 H new ATOM 0 HG LEU A 78 8.860 -0.799 35.287 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.619 -2.490 35.623 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.727 -1.734 34.016 1.00 0.00 H new ATOM 0 HD13 LEU A 78 11.860 -1.256 35.302 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.751 -1.216 37.546 1.00 0.00 H new ATOM 0 HD22 LEU A 78 10.958 0.069 37.302 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.225 0.472 37.345 1.00 0.00 H new ATOM 1233 N LYS A 79 13.551 -0.130 34.556 1.00 0.00 N ATOM 1234 CA LYS A 79 14.456 -1.034 33.856 1.00 0.00 C ATOM 1235 C LYS A 79 13.683 -2.162 33.180 1.00 0.00 C ATOM 1236 O LYS A 79 12.840 -2.808 33.801 1.00 0.00 O ATOM 1237 CB LYS A 79 15.482 -1.618 34.831 1.00 0.00 C ATOM 1238 CG LYS A 79 16.654 -0.692 35.107 1.00 0.00 C ATOM 1239 CD LYS A 79 17.221 -0.911 36.500 1.00 0.00 C ATOM 1240 CE LYS A 79 18.221 -2.056 36.521 1.00 0.00 C ATOM 1241 NZ LYS A 79 19.547 -1.645 35.982 1.00 0.00 N ATOM 0 H LYS A 79 13.819 0.072 35.519 1.00 0.00 H new ATOM 0 HA LYS A 79 14.977 -0.463 33.088 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.984 -1.851 35.772 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.859 -2.558 34.428 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.434 -0.860 34.365 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.333 0.344 35.003 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.705 0.003 36.845 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.409 -1.123 37.195 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.340 -2.415 37.543 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.833 -2.888 35.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.048 -2.481 35.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.411 -0.960 35.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 20.109 -1.207 36.740 1.00 0.00 H new ATOM 1255 N MET A 80 13.977 -2.393 31.905 1.00 0.00 N ATOM 1256 CA MET A 80 13.311 -3.445 31.145 1.00 0.00 C ATOM 1257 C MET A 80 13.533 -4.807 31.795 1.00 0.00 C ATOM 1258 O MET A 80 12.882 -5.789 31.437 1.00 0.00 O ATOM 1259 CB MET A 80 13.823 -3.465 29.704 1.00 0.00 C ATOM 1260 CG MET A 80 14.254 -2.099 29.193 1.00 0.00 C ATOM 1261 SD MET A 80 14.402 -2.045 27.397 1.00 0.00 S ATOM 1262 CE MET A 80 12.889 -1.193 26.958 1.00 0.00 C ATOM 0 H MET A 80 14.672 -1.866 31.376 1.00 0.00 H new ATOM 0 HA MET A 80 12.242 -3.234 31.139 1.00 0.00 H new ATOM 0 HB2 MET A 80 14.667 -4.152 29.636 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.040 -3.857 29.054 1.00 0.00 H new ATOM 0 HG2 MET A 80 13.532 -1.350 29.517 1.00 0.00 H new ATOM 0 HG3 MET A 80 15.212 -1.833 29.641 1.00 0.00 H new ATOM 0 HE1 MET A 80 12.835 -1.083 25.875 1.00 0.00 H new ATOM 0 HE2 MET A 80 12.032 -1.769 27.307 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.878 -0.208 27.424 1.00 0.00 H new ATOM 1272 N ASP A 81 14.455 -4.860 32.749 1.00 0.00 N ATOM 1273 CA ASP A 81 14.762 -6.102 33.449 1.00 0.00 C ATOM 1274 C ASP A 81 14.423 -5.989 34.932 1.00 0.00 C ATOM 1275 O ASP A 81 15.042 -6.642 35.771 1.00 0.00 O ATOM 1276 CB ASP A 81 16.240 -6.458 33.276 1.00 0.00 C ATOM 1277 CG ASP A 81 16.448 -7.626 32.333 1.00 0.00 C ATOM 1278 OD1 ASP A 81 16.231 -8.780 32.760 1.00 0.00 O ATOM 1279 OD2 ASP A 81 16.827 -7.387 31.168 1.00 0.00 O ATOM 0 H ASP A 81 15.004 -4.057 33.056 1.00 0.00 H new ATOM 0 HA ASP A 81 14.152 -6.895 33.015 1.00 0.00 H new ATOM 0 HB2 ASP A 81 16.778 -5.589 32.897 1.00 0.00 H new ATOM 0 HB3 ASP A 81 16.669 -6.699 34.249 1.00 0.00 H new ATOM 1284 N ALA A 82 13.437 -5.154 35.246 1.00 0.00 N ATOM 1285 CA ALA A 82 13.016 -4.956 36.627 1.00 0.00 C ATOM 1286 C ALA A 82 11.649 -5.584 36.879 1.00 0.00 C ATOM 1287 O ALA A 82 10.752 -5.501 36.040 1.00 0.00 O ATOM 1288 CB ALA A 82 12.987 -3.472 36.962 1.00 0.00 C ATOM 0 H ALA A 82 12.916 -4.605 34.563 1.00 0.00 H new ATOM 0 HA ALA A 82 13.739 -5.450 37.276 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.671 -3.339 37.997 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.983 -3.050 36.830 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.286 -2.963 36.300 1.00 0.00 H new ATOM 1294 N VAL A 83 11.498 -6.214 38.040 1.00 0.00 N ATOM 1295 CA VAL A 83 10.240 -6.856 38.403 1.00 0.00 C ATOM 1296 C VAL A 83 9.691 -6.292 39.709 1.00 0.00 C ATOM 1297 O VAL A 83 10.435 -5.840 40.580 1.00 0.00 O ATOM 1298 CB VAL A 83 10.409 -8.380 38.547 1.00 0.00 C ATOM 1299 CG1 VAL A 83 9.829 -9.098 37.338 1.00 0.00 C ATOM 1300 CG2 VAL A 83 11.876 -8.738 38.736 1.00 0.00 C ATOM 0 H VAL A 83 12.231 -6.293 38.745 1.00 0.00 H new ATOM 0 HA VAL A 83 9.536 -6.650 37.597 1.00 0.00 H new ATOM 0 HB VAL A 83 9.862 -8.707 39.431 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.958 -10.174 37.457 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.767 -8.867 37.252 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.346 -8.769 36.437 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.977 -9.819 38.836 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.448 -8.399 37.872 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.256 -8.253 39.635 1.00 0.00 H new ATOM 1310 N PRO A 84 8.358 -6.317 39.850 1.00 0.00 N ATOM 1311 CA PRO A 84 7.679 -5.812 41.047 1.00 0.00 C ATOM 1312 C PRO A 84 7.922 -6.694 42.267 1.00 0.00 C ATOM 1313 O PRO A 84 7.153 -7.614 42.545 1.00 0.00 O ATOM 1314 CB PRO A 84 6.200 -5.839 40.654 1.00 0.00 C ATOM 1315 CG PRO A 84 6.107 -6.889 39.601 1.00 0.00 C ATOM 1316 CD PRO A 84 7.410 -6.840 38.851 1.00 0.00 C ATOM 0 HA PRO A 84 8.040 -4.824 41.334 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.568 -6.078 41.509 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.873 -4.870 40.277 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.948 -7.872 40.043 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.266 -6.700 38.934 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.706 -7.827 38.494 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.347 -6.191 37.978 1.00 0.00 H new ATOM 1324 N THR A 85 8.998 -6.407 42.993 1.00 0.00 N ATOM 1325 CA THR A 85 9.344 -7.174 44.183 1.00 0.00 C ATOM 1326 C THR A 85 8.728 -6.557 45.433 1.00 0.00 C ATOM 1327 O THR A 85 9.174 -6.820 46.551 1.00 0.00 O ATOM 1328 CB THR A 85 10.870 -7.267 44.368 1.00 0.00 C ATOM 1329 OG1 THR A 85 11.434 -5.954 44.455 1.00 0.00 O ATOM 1330 CG2 THR A 85 11.510 -8.024 43.214 1.00 0.00 C ATOM 0 H THR A 85 9.645 -5.649 42.777 1.00 0.00 H new ATOM 0 HA THR A 85 8.942 -8.177 44.040 1.00 0.00 H new ATOM 0 HB THR A 85 11.069 -7.809 45.292 1.00 0.00 H new ATOM 0 HG1 THR A 85 12.404 -6.022 44.574 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.588 -8.077 43.367 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.100 -9.033 43.169 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.301 -7.505 42.278 1.00 0.00 H new ATOM 1338 N ILE A 86 7.702 -5.737 45.238 1.00 0.00 N ATOM 1339 CA ILE A 86 7.024 -5.083 46.351 1.00 0.00 C ATOM 1340 C ILE A 86 5.509 -5.166 46.198 1.00 0.00 C ATOM 1341 O ILE A 86 4.829 -5.818 46.991 1.00 0.00 O ATOM 1342 CB ILE A 86 7.436 -3.604 46.472 1.00 0.00 C ATOM 1343 CG1 ILE A 86 8.948 -3.457 46.284 1.00 0.00 C ATOM 1344 CG2 ILE A 86 7.007 -3.043 47.819 1.00 0.00 C ATOM 1345 CD1 ILE A 86 9.337 -2.895 44.934 1.00 0.00 C ATOM 0 H ILE A 86 7.321 -5.509 44.320 1.00 0.00 H new ATOM 0 HA ILE A 86 7.325 -5.610 47.256 1.00 0.00 H new ATOM 0 HB ILE A 86 6.934 -3.037 45.688 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.342 -2.808 47.066 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.418 -4.432 46.412 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.305 -1.997 47.889 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.924 -3.119 47.916 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.484 -3.611 48.618 1.00 0.00 H new ATOM 0 HD11 ILE A 86 10.422 -2.818 44.871 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.973 -3.555 44.147 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.896 -1.906 44.811 1.00 0.00 H new ATOM 1357 N PHE A 87 4.987 -4.504 45.171 1.00 0.00 N ATOM 1358 CA PHE A 87 3.552 -4.503 44.912 1.00 0.00 C ATOM 1359 C PHE A 87 2.782 -3.963 46.114 1.00 0.00 C ATOM 1360 O PHE A 87 2.422 -2.786 46.157 1.00 0.00 O ATOM 1361 CB PHE A 87 3.071 -5.917 44.578 1.00 0.00 C ATOM 1362 CG PHE A 87 2.717 -6.103 43.131 1.00 0.00 C ATOM 1363 CD1 PHE A 87 1.872 -5.212 42.490 1.00 0.00 C ATOM 1364 CD2 PHE A 87 3.231 -7.169 42.410 1.00 0.00 C ATOM 1365 CE1 PHE A 87 1.544 -5.382 41.158 1.00 0.00 C ATOM 1366 CE2 PHE A 87 2.907 -7.344 41.078 1.00 0.00 C ATOM 1367 CZ PHE A 87 2.063 -6.448 40.451 1.00 0.00 C ATOM 0 H PHE A 87 5.536 -3.961 44.504 1.00 0.00 H new ATOM 0 HA PHE A 87 3.363 -3.851 44.059 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.850 -6.630 44.848 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.200 -6.150 45.190 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.465 -4.375 43.037 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.893 -7.871 42.895 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.882 -4.681 40.671 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.313 -8.180 40.528 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.810 -6.581 39.410 1.00 0.00 H new