USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=17 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= -0.216 USER MOD Set 1.2: A 17 CYS SG : rot -158:sc= -0.0138 USER MOD Set 1.3: A 60 CYS SG : rot 66:sc= -1.38 USER MOD Set 1.4: A 63 HIS : no HE2:sc= -0.455 K(o=-2.1,f=-3.1) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 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=-0.4) USER MOD Single : A 26 ASN : amide:sc= -0.534 X(o=-0.53,f=-0.081) USER MOD Single : A 28 SER OG : rot 180:sc= 0.00207 USER MOD Single : A 30 HIS : no HE2:sc= -4.91 K(o=-4.9,f=-6.5!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 168:sc= -0.0481 (180deg=-0.342) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc=-0.00193 K(o=-0.0019,f=-0.67) USER MOD Single : A 55 LYS NZ :NH3+ -110:sc= -0.0737 (180deg=-0.528) USER MOD Single : A 56 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-3.1!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot -136:sc= 0.412 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0719 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -5.152 1.203 32.019 1.00 0.00 N ATOM 112 CA ASN A 11 -5.566 0.707 33.327 1.00 0.00 C ATOM 113 C ASN A 11 -4.463 -0.130 33.966 1.00 0.00 C ATOM 114 O ASN A 11 -3.664 -0.759 33.271 1.00 0.00 O ATOM 115 CB ASN A 11 -6.844 -0.125 33.198 1.00 0.00 C ATOM 116 CG ASN A 11 -7.785 0.421 32.142 1.00 0.00 C ATOM 117 OD1 ASN A 11 -7.754 -0.004 30.987 1.00 0.00 O ATOM 118 ND2 ASN A 11 -8.629 1.368 32.534 1.00 0.00 N ATOM 0 HA ASN A 11 -5.762 1.566 33.968 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -6.581 -1.153 32.950 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.357 -0.150 34.160 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.286 1.773 31.867 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.620 1.690 33.502 1.00 0.00 H new ATOM 125 N CYS A 12 -4.425 -0.134 35.294 1.00 0.00 N ATOM 126 CA CYS A 12 -3.421 -0.894 36.029 1.00 0.00 C ATOM 127 C CYS A 12 -3.788 -2.374 36.080 1.00 0.00 C ATOM 128 O CYS A 12 -4.921 -2.732 36.400 1.00 0.00 O ATOM 129 CB CYS A 12 -3.274 -0.344 37.449 1.00 0.00 C ATOM 130 SG CYS A 12 -1.915 -1.097 38.400 1.00 0.00 S ATOM 0 H CYS A 12 -5.079 0.381 35.884 1.00 0.00 H new ATOM 0 HA CYS A 12 -2.470 -0.792 35.507 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.113 0.733 37.395 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.209 -0.500 37.986 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.115 -0.903 39.670 1.00 0.00 H new ATOM 135 N ALA A 13 -2.822 -3.229 35.763 1.00 0.00 N ATOM 136 CA ALA A 13 -3.042 -4.670 35.775 1.00 0.00 C ATOM 137 C ALA A 13 -3.106 -5.203 37.202 1.00 0.00 C ATOM 138 O ALA A 13 -3.754 -6.215 37.467 1.00 0.00 O ATOM 139 CB ALA A 13 -1.945 -5.378 34.993 1.00 0.00 C ATOM 0 H ALA A 13 -1.879 -2.949 35.494 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.001 -4.871 35.297 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.122 -6.453 35.010 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.949 -5.026 33.961 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.978 -5.162 35.447 1.00 0.00 H new ATOM 145 N ALA A 14 -2.429 -4.517 38.116 1.00 0.00 N ATOM 146 CA ALA A 14 -2.411 -4.921 39.516 1.00 0.00 C ATOM 147 C ALA A 14 -3.773 -4.708 40.168 1.00 0.00 C ATOM 148 O ALA A 14 -4.146 -3.581 40.493 1.00 0.00 O ATOM 149 CB ALA A 14 -1.336 -4.155 40.273 1.00 0.00 C ATOM 0 H ALA A 14 -1.885 -3.678 37.912 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.181 -5.986 39.557 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.334 -4.467 41.317 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.362 -4.362 39.831 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.541 -3.086 40.214 1.00 0.00 H new ATOM 155 N ALA A 15 -4.512 -5.797 40.354 1.00 0.00 N ATOM 156 CA ALA A 15 -5.832 -5.728 40.967 1.00 0.00 C ATOM 157 C ALA A 15 -5.801 -4.900 42.247 1.00 0.00 C ATOM 158 O ALA A 15 -4.733 -4.620 42.791 1.00 0.00 O ATOM 159 CB ALA A 15 -6.354 -7.128 41.256 1.00 0.00 C ATOM 0 H ALA A 15 -4.219 -6.737 40.089 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.506 -5.238 40.264 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.341 -7.061 41.714 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.423 -7.690 40.325 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.672 -7.637 41.937 1.00 0.00 H new ATOM 165 N GLY A 16 -6.979 -4.508 42.722 1.00 0.00 N ATOM 166 CA GLY A 16 -7.064 -3.714 43.934 1.00 0.00 C ATOM 167 C GLY A 16 -6.716 -2.258 43.699 1.00 0.00 C ATOM 168 O GLY A 16 -7.426 -1.361 44.155 1.00 0.00 O ATOM 0 H GLY A 16 -7.876 -4.726 42.289 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.074 -3.782 44.339 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.391 -4.129 44.684 1.00 0.00 H new ATOM 172 N CYS A 17 -5.620 -2.021 42.985 1.00 0.00 N ATOM 173 CA CYS A 17 -5.178 -0.663 42.691 1.00 0.00 C ATOM 174 C CYS A 17 -6.138 0.025 41.725 1.00 0.00 C ATOM 175 O CYS A 17 -6.992 0.809 42.136 1.00 0.00 O ATOM 176 CB CYS A 17 -3.767 -0.681 42.099 1.00 0.00 C ATOM 177 SG CYS A 17 -3.157 0.955 41.580 1.00 0.00 S ATOM 0 H CYS A 17 -5.022 -2.752 42.600 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.166 -0.101 43.625 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.080 -1.095 42.837 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.754 -1.351 41.239 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.209 0.806 40.703 1.00 0.00 H new ATOM 182 N ALA A 18 -5.990 -0.275 40.439 1.00 0.00 N ATOM 183 CA ALA A 18 -6.845 0.312 39.414 1.00 0.00 C ATOM 184 C ALA A 18 -6.635 1.819 39.322 1.00 0.00 C ATOM 185 O ALA A 18 -7.538 2.602 39.617 1.00 0.00 O ATOM 186 CB ALA A 18 -8.305 -0.003 39.702 1.00 0.00 C ATOM 0 H ALA A 18 -5.286 -0.921 40.082 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.573 -0.126 38.453 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.932 0.441 38.929 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.449 -1.083 39.710 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.581 0.407 40.673 1.00 0.00 H new ATOM 192 N THR A 19 -5.436 2.221 38.911 1.00 0.00 N ATOM 193 CA THR A 19 -5.107 3.635 38.781 1.00 0.00 C ATOM 194 C THR A 19 -5.340 4.126 37.357 1.00 0.00 C ATOM 195 O THR A 19 -4.938 3.476 36.391 1.00 0.00 O ATOM 196 CB THR A 19 -3.642 3.909 39.173 1.00 0.00 C ATOM 197 OG1 THR A 19 -3.594 4.711 40.358 1.00 0.00 O ATOM 198 CG2 THR A 19 -2.904 4.616 38.046 1.00 0.00 C ATOM 0 H THR A 19 -4.677 1.587 38.662 1.00 0.00 H new ATOM 0 HA THR A 19 -5.765 4.176 39.461 1.00 0.00 H new ATOM 0 HB THR A 19 -3.154 2.953 39.362 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.660 4.879 40.602 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.872 4.799 38.345 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.917 3.990 37.154 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.393 5.566 37.830 1.00 0.00 H new ATOM 206 N THR A 20 -5.992 5.278 37.232 1.00 0.00 N ATOM 207 CA THR A 20 -6.279 5.855 35.925 1.00 0.00 C ATOM 208 C THR A 20 -5.745 7.280 35.824 1.00 0.00 C ATOM 209 O THR A 20 -5.030 7.749 36.710 1.00 0.00 O ATOM 210 CB THR A 20 -7.791 5.864 35.635 1.00 0.00 C ATOM 211 OG1 THR A 20 -8.444 6.832 36.465 1.00 0.00 O ATOM 212 CG2 THR A 20 -8.397 4.490 35.877 1.00 0.00 C ATOM 0 H THR A 20 -6.331 5.829 38.020 1.00 0.00 H new ATOM 0 HA THR A 20 -5.779 5.229 35.186 1.00 0.00 H new ATOM 0 HB THR A 20 -7.936 6.128 34.587 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.405 6.832 36.273 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.466 4.521 35.666 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.919 3.761 35.223 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.241 4.202 36.917 1.00 0.00 H new ATOM 220 N TYR A 21 -6.097 7.963 34.741 1.00 0.00 N ATOM 221 CA TYR A 21 -5.652 9.335 34.524 1.00 0.00 C ATOM 222 C TYR A 21 -6.118 10.244 35.657 1.00 0.00 C ATOM 223 O TYR A 21 -5.311 10.903 36.310 1.00 0.00 O ATOM 224 CB TYR A 21 -6.176 9.858 33.186 1.00 0.00 C ATOM 225 CG TYR A 21 -5.993 11.348 33.004 1.00 0.00 C ATOM 226 CD1 TYR A 21 -4.760 11.948 33.223 1.00 0.00 C ATOM 227 CD2 TYR A 21 -7.055 12.155 32.613 1.00 0.00 C ATOM 228 CE1 TYR A 21 -4.588 13.309 33.059 1.00 0.00 C ATOM 229 CE2 TYR A 21 -6.892 13.517 32.446 1.00 0.00 C ATOM 230 CZ TYR A 21 -5.657 14.089 32.670 1.00 0.00 C ATOM 231 OH TYR A 21 -5.490 15.445 32.504 1.00 0.00 O ATOM 0 H TYR A 21 -6.689 7.589 33.999 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.562 9.338 34.505 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.665 9.336 32.377 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.236 9.618 33.102 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.921 11.340 33.527 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.023 11.710 32.437 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.622 13.759 33.234 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.727 14.130 32.142 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.339 15.848 32.227 1.00 0.00 H new ATOM 241 N ASN A 22 -7.428 10.274 35.882 1.00 0.00 N ATOM 242 CA ASN A 22 -8.003 11.102 36.936 1.00 0.00 C ATOM 243 C ASN A 22 -8.024 12.570 36.523 1.00 0.00 C ATOM 244 O ASN A 22 -7.956 12.895 35.337 1.00 0.00 O ATOM 245 CB ASN A 22 -7.211 10.936 38.234 1.00 0.00 C ATOM 246 CG ASN A 22 -8.108 10.884 39.456 1.00 0.00 C ATOM 247 OD1 ASN A 22 -9.169 11.508 39.488 1.00 0.00 O ATOM 248 ND2 ASN A 22 -7.684 10.138 40.469 1.00 0.00 N ATOM 0 H ASN A 22 -8.111 9.735 35.349 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.029 10.775 37.102 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.620 10.022 38.181 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.509 11.764 38.337 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.245 10.065 41.318 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.798 9.638 40.398 1.00 0.00 H new ATOM 313 N ASN A 26 0.305 11.891 38.293 1.00 0.00 N ATOM 314 CA ASN A 26 1.608 12.133 37.685 1.00 0.00 C ATOM 315 C ASN A 26 2.475 10.879 37.737 1.00 0.00 C ATOM 316 O ASN A 26 3.695 10.949 37.587 1.00 0.00 O ATOM 317 CB ASN A 26 2.318 13.288 38.394 1.00 0.00 C ATOM 318 CG ASN A 26 1.391 14.059 39.314 1.00 0.00 C ATOM 319 OD1 ASN A 26 0.976 15.175 39.002 1.00 0.00 O ATOM 320 ND2 ASN A 26 1.064 13.465 40.456 1.00 0.00 N ATOM 0 HA ASN A 26 1.449 12.399 36.640 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.155 12.896 38.971 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.734 13.967 37.650 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.445 13.935 41.116 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.432 12.539 40.673 1.00 0.00 H new ATOM 327 N ILE A 27 1.836 9.734 37.951 1.00 0.00 N ATOM 328 CA ILE A 27 2.549 8.464 38.022 1.00 0.00 C ATOM 329 C ILE A 27 2.982 7.999 36.636 1.00 0.00 C ATOM 330 O ILE A 27 2.188 7.994 35.696 1.00 0.00 O ATOM 331 CB ILE A 27 1.684 7.369 38.672 1.00 0.00 C ATOM 332 CG1 ILE A 27 1.980 7.276 40.171 1.00 0.00 C ATOM 333 CG2 ILE A 27 1.928 6.029 37.994 1.00 0.00 C ATOM 334 CD1 ILE A 27 1.183 6.203 40.879 1.00 0.00 C ATOM 0 H ILE A 27 0.827 9.659 38.078 1.00 0.00 H new ATOM 0 HA ILE A 27 3.432 8.631 38.639 1.00 0.00 H new ATOM 0 HB ILE A 27 0.634 7.633 38.544 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.043 7.080 40.312 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.769 8.239 40.635 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.309 5.265 38.465 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.671 6.104 36.937 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.979 5.757 38.093 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.444 6.194 41.937 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.118 6.409 40.770 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.412 5.231 40.441 1.00 0.00 H new ATOM 346 N SER A 28 4.246 7.606 36.518 1.00 0.00 N ATOM 347 CA SER A 28 4.786 7.140 35.246 1.00 0.00 C ATOM 348 C SER A 28 4.247 5.755 34.902 1.00 0.00 C ATOM 349 O SER A 28 4.181 4.872 35.757 1.00 0.00 O ATOM 350 CB SER A 28 6.315 7.106 35.299 1.00 0.00 C ATOM 351 OG SER A 28 6.825 8.211 36.024 1.00 0.00 O ATOM 0 H SER A 28 4.915 7.601 37.288 1.00 0.00 H new ATOM 0 HA SER A 28 4.472 7.837 34.469 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.645 6.178 35.765 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.717 7.115 34.286 1.00 0.00 H new ATOM 0 HG SER A 28 7.804 8.165 36.045 1.00 0.00 H new ATOM 357 N PHE A 29 3.862 5.573 33.643 1.00 0.00 N ATOM 358 CA PHE A 29 3.327 4.297 33.184 1.00 0.00 C ATOM 359 C PHE A 29 4.427 3.434 32.572 1.00 0.00 C ATOM 360 O PHE A 29 5.002 3.781 31.540 1.00 0.00 O ATOM 361 CB PHE A 29 2.213 4.525 32.160 1.00 0.00 C ATOM 362 CG PHE A 29 2.621 5.412 31.019 1.00 0.00 C ATOM 363 CD1 PHE A 29 2.625 6.790 31.162 1.00 0.00 C ATOM 364 CD2 PHE A 29 3.000 4.868 29.802 1.00 0.00 C ATOM 365 CE1 PHE A 29 3.000 7.609 30.114 1.00 0.00 C ATOM 366 CE2 PHE A 29 3.376 5.682 28.751 1.00 0.00 C ATOM 367 CZ PHE A 29 3.375 7.055 28.906 1.00 0.00 C ATOM 0 H PHE A 29 3.911 6.293 32.923 1.00 0.00 H new ATOM 0 HA PHE A 29 2.916 3.773 34.047 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.892 3.562 31.764 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.352 4.966 32.663 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.332 7.229 32.104 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.001 3.796 29.674 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.000 8.682 30.240 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.671 5.245 27.808 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.667 7.693 28.085 1.00 0.00 H new ATOM 377 N HIS A 30 4.715 2.308 33.217 1.00 0.00 N ATOM 378 CA HIS A 30 5.747 1.395 32.738 1.00 0.00 C ATOM 379 C HIS A 30 5.137 0.065 32.307 1.00 0.00 C ATOM 380 O HIS A 30 4.900 -0.817 33.132 1.00 0.00 O ATOM 381 CB HIS A 30 6.795 1.160 33.825 1.00 0.00 C ATOM 382 CG HIS A 30 7.539 2.399 34.218 1.00 0.00 C ATOM 383 ND1 HIS A 30 8.604 2.898 33.497 1.00 0.00 N ATOM 384 CD2 HIS A 30 7.365 3.243 35.262 1.00 0.00 C ATOM 385 CE1 HIS A 30 9.054 3.994 34.083 1.00 0.00 C ATOM 386 NE2 HIS A 30 8.319 4.225 35.156 1.00 0.00 N ATOM 0 H HIS A 30 4.249 2.006 34.072 1.00 0.00 H new ATOM 0 HA HIS A 30 6.228 1.852 31.873 1.00 0.00 H new ATOM 0 HB2 HIS A 30 6.306 0.745 34.706 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.508 0.414 33.475 1.00 0.00 H new ATOM 0 HD1 HIS A 30 8.985 2.486 32.645 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.615 3.160 36.035 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.882 4.598 33.742 1.00 0.00 H new ATOM 394 N ARG A 31 4.884 -0.072 31.009 1.00 0.00 N ATOM 395 CA ARG A 31 4.300 -1.294 30.469 1.00 0.00 C ATOM 396 C ARG A 31 5.122 -2.514 30.874 1.00 0.00 C ATOM 397 O ARG A 31 6.266 -2.389 31.309 1.00 0.00 O ATOM 398 CB ARG A 31 4.208 -1.210 28.944 1.00 0.00 C ATOM 399 CG ARG A 31 5.536 -1.439 28.241 1.00 0.00 C ATOM 400 CD ARG A 31 5.713 -0.491 27.064 1.00 0.00 C ATOM 401 NE ARG A 31 6.259 0.798 27.477 1.00 0.00 N ATOM 402 CZ ARG A 31 7.534 0.987 27.803 1.00 0.00 C ATOM 403 NH1 ARG A 31 8.388 -0.027 27.763 1.00 0.00 N ATOM 404 NH2 ARG A 31 7.955 2.190 28.169 1.00 0.00 N ATOM 0 H ARG A 31 5.074 0.648 30.312 1.00 0.00 H new ATOM 0 HA ARG A 31 3.296 -1.401 30.881 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.487 -1.948 28.591 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.823 -0.229 28.665 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.353 -1.299 28.949 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.591 -2.470 27.891 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.376 -0.946 26.328 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.751 -0.337 26.575 1.00 0.00 H new ATOM 0 HE ARG A 31 5.628 1.598 27.518 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.067 -0.953 27.482 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.366 0.120 28.013 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.300 2.972 28.201 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.933 2.334 28.419 1.00 0.00 H new ATOM 418 N PHE A 32 4.529 -3.695 30.728 1.00 0.00 N ATOM 419 CA PHE A 32 5.205 -4.938 31.079 1.00 0.00 C ATOM 420 C PHE A 32 6.524 -5.073 30.323 1.00 0.00 C ATOM 421 O PHE A 32 6.740 -4.447 29.285 1.00 0.00 O ATOM 422 CB PHE A 32 4.305 -6.137 30.775 1.00 0.00 C ATOM 423 CG PHE A 32 3.314 -6.435 31.863 1.00 0.00 C ATOM 424 CD1 PHE A 32 2.381 -5.485 32.248 1.00 0.00 C ATOM 425 CD2 PHE A 32 3.315 -7.664 32.503 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.469 -5.756 33.250 1.00 0.00 C ATOM 427 CE2 PHE A 32 2.405 -7.940 33.506 1.00 0.00 C ATOM 428 CZ PHE A 32 1.480 -6.985 33.879 1.00 0.00 C ATOM 0 H PHE A 32 3.582 -3.817 30.369 1.00 0.00 H new ATOM 0 HA PHE A 32 5.420 -4.916 32.147 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.767 -5.950 29.846 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.928 -7.016 30.611 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.367 -4.522 31.759 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.035 -8.415 32.215 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.748 -5.007 33.541 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.417 -8.902 33.998 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.767 -7.199 34.661 1.00 0.00 H new ATOM 438 N PRO A 33 7.427 -5.910 30.854 1.00 0.00 N ATOM 439 CA PRO A 33 8.740 -6.147 30.246 1.00 0.00 C ATOM 440 C PRO A 33 8.642 -6.927 28.940 1.00 0.00 C ATOM 441 O PRO A 33 7.713 -7.712 28.742 1.00 0.00 O ATOM 442 CB PRO A 33 9.478 -6.969 31.306 1.00 0.00 C ATOM 443 CG PRO A 33 8.399 -7.643 32.082 1.00 0.00 C ATOM 444 CD PRO A 33 7.237 -6.689 32.089 1.00 0.00 C ATOM 0 HA PRO A 33 9.242 -5.216 29.983 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.149 -7.696 30.847 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.088 -6.332 31.947 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.122 -8.592 31.623 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.728 -7.864 33.097 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.284 -7.217 32.088 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.247 -6.050 32.972 1.00 0.00 H new ATOM 452 N LEU A 34 9.604 -6.708 28.051 1.00 0.00 N ATOM 453 CA LEU A 34 9.626 -7.391 26.763 1.00 0.00 C ATOM 454 C LEU A 34 10.336 -8.737 26.872 1.00 0.00 C ATOM 455 O LEU A 34 10.239 -9.576 25.976 1.00 0.00 O ATOM 456 CB LEU A 34 10.319 -6.520 25.713 1.00 0.00 C ATOM 457 CG LEU A 34 9.681 -5.156 25.446 1.00 0.00 C ATOM 458 CD1 LEU A 34 8.207 -5.173 25.821 1.00 0.00 C ATOM 459 CD2 LEU A 34 10.415 -4.065 26.211 1.00 0.00 C ATOM 0 H LEU A 34 10.380 -6.062 28.199 1.00 0.00 H new ATOM 0 HA LEU A 34 8.595 -7.568 26.456 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.351 -6.361 26.025 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.352 -7.074 24.775 1.00 0.00 H new ATOM 0 HG LEU A 34 9.761 -4.942 24.380 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.770 -4.194 25.624 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.689 -5.927 25.228 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.104 -5.410 26.880 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.947 -3.101 26.009 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.367 -4.275 27.280 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.457 -4.036 25.893 1.00 0.00 H new ATOM 471 N ASP A 35 11.049 -8.936 27.975 1.00 0.00 N ATOM 472 CA ASP A 35 11.773 -10.181 28.204 1.00 0.00 C ATOM 473 C ASP A 35 10.855 -11.240 28.806 1.00 0.00 C ATOM 474 O ASP A 35 9.911 -10.937 29.536 1.00 0.00 O ATOM 475 CB ASP A 35 12.968 -9.939 29.127 1.00 0.00 C ATOM 476 CG ASP A 35 14.290 -10.259 28.458 1.00 0.00 C ATOM 477 OD1 ASP A 35 14.334 -10.280 27.211 1.00 0.00 O ATOM 478 OD2 ASP A 35 15.282 -10.489 29.182 1.00 0.00 O ATOM 0 H ASP A 35 11.141 -8.251 28.725 1.00 0.00 H new ATOM 0 HA ASP A 35 12.135 -10.544 27.242 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.970 -8.898 29.449 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.861 -10.550 30.023 1.00 0.00 H new ATOM 483 N PRO A 36 11.137 -12.514 28.494 1.00 0.00 N ATOM 484 CA PRO A 36 10.348 -13.644 28.994 1.00 0.00 C ATOM 485 C PRO A 36 10.537 -13.867 30.490 1.00 0.00 C ATOM 486 O PRO A 36 9.588 -14.189 31.206 1.00 0.00 O ATOM 487 CB PRO A 36 10.895 -14.836 28.203 1.00 0.00 C ATOM 488 CG PRO A 36 12.282 -14.439 27.832 1.00 0.00 C ATOM 489 CD PRO A 36 12.247 -12.949 27.630 1.00 0.00 C ATOM 0 HA PRO A 36 9.278 -13.483 28.864 1.00 0.00 H new ATOM 0 HB2 PRO A 36 10.891 -15.745 28.804 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.290 -15.035 27.318 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.988 -14.710 28.617 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.604 -14.948 26.924 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.188 -12.482 27.919 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.070 -12.689 26.586 1.00 0.00 H new ATOM 497 N LYS A 37 11.768 -13.692 30.959 1.00 0.00 N ATOM 498 CA LYS A 37 12.082 -13.871 32.372 1.00 0.00 C ATOM 499 C LYS A 37 11.199 -12.982 33.242 1.00 0.00 C ATOM 500 O LYS A 37 10.685 -13.420 34.272 1.00 0.00 O ATOM 501 CB LYS A 37 13.556 -13.555 32.631 1.00 0.00 C ATOM 502 CG LYS A 37 14.468 -14.764 32.514 1.00 0.00 C ATOM 503 CD LYS A 37 14.924 -14.980 31.081 1.00 0.00 C ATOM 504 CE LYS A 37 15.661 -16.302 30.924 1.00 0.00 C ATOM 505 NZ LYS A 37 15.628 -16.792 29.518 1.00 0.00 N ATOM 0 H LYS A 37 12.565 -13.426 30.381 1.00 0.00 H new ATOM 0 HA LYS A 37 11.889 -14.911 32.633 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.885 -12.793 31.925 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.657 -13.129 33.629 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.338 -14.629 33.157 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.944 -15.652 32.868 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.060 -14.963 30.417 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.576 -14.161 30.778 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.696 -16.180 31.242 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.212 -17.048 31.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.141 -17.695 29.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.641 -16.932 29.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.079 -16.092 28.896 1.00 0.00 H new ATOM 519 N ARG A 38 11.027 -11.733 32.822 1.00 0.00 N ATOM 520 CA ARG A 38 10.206 -10.784 33.564 1.00 0.00 C ATOM 521 C ARG A 38 8.738 -10.907 33.166 1.00 0.00 C ATOM 522 O ARG A 38 7.859 -11.005 34.022 1.00 0.00 O ATOM 523 CB ARG A 38 10.694 -9.355 33.319 1.00 0.00 C ATOM 524 CG ARG A 38 12.205 -9.206 33.393 1.00 0.00 C ATOM 525 CD ARG A 38 12.732 -9.558 34.775 1.00 0.00 C ATOM 526 NE ARG A 38 14.190 -9.635 34.802 1.00 0.00 N ATOM 527 CZ ARG A 38 14.892 -9.905 35.897 1.00 0.00 C ATOM 528 NH1 ARG A 38 14.273 -10.122 37.048 1.00 0.00 N ATOM 529 NH2 ARG A 38 16.217 -9.958 35.841 1.00 0.00 N ATOM 0 H ARG A 38 11.445 -11.355 31.972 1.00 0.00 H new ATOM 0 HA ARG A 38 10.297 -11.015 34.625 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.353 -9.027 32.337 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.236 -8.693 34.053 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.672 -9.851 32.649 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.483 -8.181 33.146 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.395 -8.810 35.493 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.313 -10.513 35.090 1.00 0.00 H new ATOM 0 HE ARG A 38 14.697 -9.473 33.932 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.255 -10.082 37.095 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.815 -10.329 37.887 1.00 0.00 H new ATOM 0 HH21 ARG A 38 16.697 -9.791 34.957 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.755 -10.165 36.682 1.00 0.00 H new ATOM 543 N ARG A 39 8.482 -10.901 31.862 1.00 0.00 N ATOM 544 CA ARG A 39 7.121 -11.010 31.350 1.00 0.00 C ATOM 545 C ARG A 39 6.294 -11.967 32.204 1.00 0.00 C ATOM 546 O ARG A 39 5.220 -11.613 32.690 1.00 0.00 O ATOM 547 CB ARG A 39 7.136 -11.490 29.898 1.00 0.00 C ATOM 548 CG ARG A 39 5.754 -11.589 29.274 1.00 0.00 C ATOM 549 CD ARG A 39 5.613 -12.842 28.425 1.00 0.00 C ATOM 550 NE ARG A 39 5.828 -12.570 27.007 1.00 0.00 N ATOM 551 CZ ARG A 39 5.474 -13.404 26.036 1.00 0.00 C ATOM 552 NH1 ARG A 39 4.891 -14.558 26.329 1.00 0.00 N ATOM 553 NH2 ARG A 39 5.703 -13.085 24.768 1.00 0.00 N ATOM 0 H ARG A 39 9.199 -10.822 31.141 1.00 0.00 H new ATOM 0 HA ARG A 39 6.663 -10.022 31.394 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.745 -10.807 29.305 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.617 -12.467 29.852 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.999 -11.594 30.060 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.568 -10.709 28.659 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.329 -13.591 28.763 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.618 -13.265 28.566 1.00 0.00 H new ATOM 0 HE ARG A 39 6.275 -11.691 26.748 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.713 -14.807 27.302 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.620 -15.197 25.581 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.152 -12.198 24.538 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.430 -13.727 24.023 1.00 0.00 H new ATOM 567 N LYS A 40 6.803 -13.182 32.383 1.00 0.00 N ATOM 568 CA LYS A 40 6.113 -14.191 33.179 1.00 0.00 C ATOM 569 C LYS A 40 6.034 -13.769 34.643 1.00 0.00 C ATOM 570 O LYS A 40 5.069 -14.085 35.337 1.00 0.00 O ATOM 571 CB LYS A 40 6.830 -15.538 33.064 1.00 0.00 C ATOM 572 CG LYS A 40 7.075 -15.976 31.630 1.00 0.00 C ATOM 573 CD LYS A 40 8.146 -17.051 31.551 1.00 0.00 C ATOM 574 CE LYS A 40 7.741 -18.299 32.319 1.00 0.00 C ATOM 575 NZ LYS A 40 6.413 -18.812 31.883 1.00 0.00 N ATOM 0 H LYS A 40 7.691 -13.492 31.988 1.00 0.00 H new ATOM 0 HA LYS A 40 5.099 -14.291 32.793 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.786 -15.477 33.585 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.238 -16.300 33.572 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.147 -16.353 31.200 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.377 -15.116 31.032 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.329 -17.308 30.508 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.082 -16.663 31.952 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.494 -19.074 32.176 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.712 -18.076 33.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.262 -19.763 32.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.665 -18.174 32.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.382 -18.857 30.844 1.00 0.00 H new ATOM 589 N GLU A 41 7.054 -13.051 35.103 1.00 0.00 N ATOM 590 CA GLU A 41 7.098 -12.586 36.484 1.00 0.00 C ATOM 591 C GLU A 41 5.987 -11.574 36.753 1.00 0.00 C ATOM 592 O GLU A 41 5.092 -11.821 37.561 1.00 0.00 O ATOM 593 CB GLU A 41 8.459 -11.958 36.792 1.00 0.00 C ATOM 594 CG GLU A 41 9.230 -12.681 37.883 1.00 0.00 C ATOM 595 CD GLU A 41 10.509 -11.962 38.268 1.00 0.00 C ATOM 596 OE1 GLU A 41 11.423 -11.886 37.420 1.00 0.00 O ATOM 597 OE2 GLU A 41 10.596 -11.477 39.415 1.00 0.00 O ATOM 0 H GLU A 41 7.860 -12.779 34.540 1.00 0.00 H new ATOM 0 HA GLU A 41 6.948 -13.447 37.135 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.059 -11.946 35.882 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.312 -10.920 37.090 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.596 -12.784 38.764 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.472 -13.689 37.545 1.00 0.00 H new ATOM 604 N TRP A 42 6.053 -10.437 36.071 1.00 0.00 N ATOM 605 CA TRP A 42 5.053 -9.388 36.236 1.00 0.00 C ATOM 606 C TRP A 42 3.649 -9.978 36.295 1.00 0.00 C ATOM 607 O TRP A 42 2.847 -9.614 37.156 1.00 0.00 O ATOM 608 CB TRP A 42 5.148 -8.380 35.090 1.00 0.00 C ATOM 609 CG TRP A 42 6.317 -7.449 35.212 1.00 0.00 C ATOM 610 CD1 TRP A 42 7.624 -7.796 35.403 1.00 0.00 C ATOM 611 CD2 TRP A 42 6.284 -6.019 35.154 1.00 0.00 C ATOM 612 NE1 TRP A 42 8.405 -6.668 35.467 1.00 0.00 N ATOM 613 CE2 TRP A 42 7.607 -5.565 35.317 1.00 0.00 C ATOM 614 CE3 TRP A 42 5.265 -5.078 34.980 1.00 0.00 C ATOM 615 CZ2 TRP A 42 7.935 -4.212 35.310 1.00 0.00 C ATOM 616 CZ3 TRP A 42 5.592 -3.736 34.974 1.00 0.00 C ATOM 617 CH2 TRP A 42 6.918 -3.313 35.137 1.00 0.00 C ATOM 0 H TRP A 42 6.788 -10.217 35.399 1.00 0.00 H new ATOM 0 HA TRP A 42 5.251 -8.877 37.178 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.220 -8.920 34.146 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.229 -7.795 35.053 1.00 0.00 H new ATOM 0 HD1 TRP A 42 7.990 -8.808 35.491 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.416 -6.654 35.604 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.240 -5.395 34.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.956 -3.884 35.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.813 -3.000 34.841 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.142 -2.256 35.126 1.00 0.00 H new ATOM 628 N VAL A 43 3.356 -10.892 35.375 1.00 0.00 N ATOM 629 CA VAL A 43 2.048 -11.534 35.324 1.00 0.00 C ATOM 630 C VAL A 43 1.855 -12.482 36.502 1.00 0.00 C ATOM 631 O VAL A 43 0.738 -12.668 36.985 1.00 0.00 O ATOM 632 CB VAL A 43 1.859 -12.318 34.011 1.00 0.00 C ATOM 633 CG1 VAL A 43 0.429 -12.823 33.893 1.00 0.00 C ATOM 634 CG2 VAL A 43 2.228 -11.452 32.816 1.00 0.00 C ATOM 0 H VAL A 43 4.007 -11.204 34.655 1.00 0.00 H new ATOM 0 HA VAL A 43 1.303 -10.740 35.375 1.00 0.00 H new ATOM 0 HB VAL A 43 2.524 -13.181 34.024 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.314 -13.374 32.960 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.205 -13.480 34.733 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.258 -11.977 33.902 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.089 -12.021 31.897 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.590 -10.569 32.796 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.271 -11.144 32.898 1.00 0.00 H new ATOM 644 N ARG A 44 2.950 -13.079 36.960 1.00 0.00 N ATOM 645 CA ARG A 44 2.902 -14.009 38.081 1.00 0.00 C ATOM 646 C ARG A 44 2.680 -13.265 39.395 1.00 0.00 C ATOM 647 O ARG A 44 2.048 -13.785 40.316 1.00 0.00 O ATOM 648 CB ARG A 44 4.196 -14.821 38.155 1.00 0.00 C ATOM 649 CG ARG A 44 4.673 -15.079 39.575 1.00 0.00 C ATOM 650 CD ARG A 44 3.682 -15.933 40.349 1.00 0.00 C ATOM 651 NE ARG A 44 4.144 -17.310 40.497 1.00 0.00 N ATOM 652 CZ ARG A 44 5.164 -17.664 41.272 1.00 0.00 C ATOM 653 NH1 ARG A 44 5.824 -16.746 41.965 1.00 0.00 N ATOM 654 NH2 ARG A 44 5.525 -18.938 41.354 1.00 0.00 N ATOM 0 H ARG A 44 3.882 -12.935 36.572 1.00 0.00 H new ATOM 0 HA ARG A 44 2.064 -14.688 37.921 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.045 -15.776 37.652 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.978 -14.294 37.608 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.642 -15.577 39.550 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.816 -14.129 40.090 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.521 -15.497 41.335 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.720 -15.927 39.836 1.00 0.00 H new ATOM 0 HE ARG A 44 3.657 -18.040 39.977 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.549 -15.766 41.904 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.606 -17.020 42.559 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.020 -19.647 40.822 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.308 -19.209 41.949 1.00 0.00 H new ATOM 668 N LEU A 45 3.204 -12.047 39.475 1.00 0.00 N ATOM 669 CA LEU A 45 3.064 -11.231 40.676 1.00 0.00 C ATOM 670 C LEU A 45 1.660 -10.644 40.775 1.00 0.00 C ATOM 671 O LEU A 45 1.087 -10.557 41.861 1.00 0.00 O ATOM 672 CB LEU A 45 4.101 -10.106 40.676 1.00 0.00 C ATOM 673 CG LEU A 45 5.537 -10.518 41.002 1.00 0.00 C ATOM 674 CD1 LEU A 45 6.527 -9.606 40.294 1.00 0.00 C ATOM 675 CD2 LEU A 45 5.770 -10.494 42.506 1.00 0.00 C ATOM 0 H LEU A 45 3.730 -11.603 38.722 1.00 0.00 H new ATOM 0 HA LEU A 45 3.232 -11.871 41.542 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.094 -9.632 39.694 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.788 -9.350 41.397 1.00 0.00 H new ATOM 0 HG LEU A 45 5.693 -11.536 40.646 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.544 -9.914 40.538 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.376 -9.672 39.217 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.372 -8.578 40.620 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.797 -10.790 42.720 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.596 -9.487 42.885 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.084 -11.188 42.992 1.00 0.00 H new ATOM 687 N VAL A 46 1.110 -10.243 39.633 1.00 0.00 N ATOM 688 CA VAL A 46 -0.229 -9.667 39.590 1.00 0.00 C ATOM 689 C VAL A 46 -1.297 -10.750 39.694 1.00 0.00 C ATOM 690 O VAL A 46 -2.382 -10.517 40.228 1.00 0.00 O ATOM 691 CB VAL A 46 -0.453 -8.864 38.295 1.00 0.00 C ATOM 692 CG1 VAL A 46 -0.401 -9.781 37.082 1.00 0.00 C ATOM 693 CG2 VAL A 46 -1.778 -8.119 38.353 1.00 0.00 C ATOM 0 H VAL A 46 1.571 -10.306 38.725 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.312 -8.995 40.445 1.00 0.00 H new ATOM 0 HB VAL A 46 0.347 -8.130 38.200 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.561 -9.196 36.176 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.574 -10.265 37.033 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.179 -10.540 37.166 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.920 -7.557 37.430 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.592 -8.834 38.472 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.772 -7.432 39.199 1.00 0.00 H new ATOM 703 N ARG A 47 -0.982 -11.935 39.183 1.00 0.00 N ATOM 704 CA ARG A 47 -1.915 -13.055 39.218 1.00 0.00 C ATOM 705 C ARG A 47 -3.286 -12.638 38.693 1.00 0.00 C ATOM 706 O ARG A 47 -4.271 -12.641 39.430 1.00 0.00 O ATOM 707 CB ARG A 47 -2.046 -13.593 40.644 1.00 0.00 C ATOM 708 CG ARG A 47 -2.245 -15.098 40.711 1.00 0.00 C ATOM 709 CD ARG A 47 -2.501 -15.563 42.137 1.00 0.00 C ATOM 710 NE ARG A 47 -1.608 -16.651 42.526 1.00 0.00 N ATOM 711 CZ ARG A 47 -1.689 -17.288 43.689 1.00 0.00 C ATOM 712 NH1 ARG A 47 -2.619 -16.948 44.571 1.00 0.00 N ATOM 713 NH2 ARG A 47 -0.840 -18.268 43.971 1.00 0.00 N ATOM 0 H ARG A 47 -0.088 -12.145 38.740 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.522 -13.842 38.574 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.151 -13.328 41.207 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.887 -13.102 41.133 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.085 -15.384 40.078 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.362 -15.601 40.316 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.370 -14.724 42.821 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.536 -15.892 42.231 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.882 -16.938 41.869 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.274 -16.196 44.357 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.679 -17.439 45.463 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.124 -18.533 43.294 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.903 -18.756 44.864 1.00 0.00 H new ATOM 727 N ARG A 48 -3.339 -12.278 37.414 1.00 0.00 N ATOM 728 CA ARG A 48 -4.588 -11.857 36.791 1.00 0.00 C ATOM 729 C ARG A 48 -5.069 -12.894 35.781 1.00 0.00 C ATOM 730 O ARG A 48 -5.634 -12.551 34.743 1.00 0.00 O ATOM 731 CB ARG A 48 -4.406 -10.503 36.101 1.00 0.00 C ATOM 732 CG ARG A 48 -4.833 -9.321 36.956 1.00 0.00 C ATOM 733 CD ARG A 48 -4.652 -9.611 38.437 1.00 0.00 C ATOM 734 NE ARG A 48 -5.882 -10.097 39.055 1.00 0.00 N ATOM 735 CZ ARG A 48 -5.987 -10.401 40.344 1.00 0.00 C ATOM 736 NH1 ARG A 48 -4.940 -10.270 41.147 1.00 0.00 N ATOM 737 NH2 ARG A 48 -7.141 -10.837 40.832 1.00 0.00 N ATOM 0 H ARG A 48 -2.532 -12.270 36.790 1.00 0.00 H new ATOM 0 HA ARG A 48 -5.341 -11.761 37.573 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.358 -10.382 35.827 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.980 -10.497 35.175 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.249 -8.443 36.682 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.878 -9.084 36.756 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.864 -10.352 38.567 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.324 -8.705 38.946 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.706 -10.209 38.465 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.051 -9.935 40.775 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.024 -10.504 42.136 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.949 -10.939 40.217 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.221 -11.070 41.822 1.00 0.00 H new ATOM 751 N LYS A 49 -4.841 -14.166 36.093 1.00 0.00 N ATOM 752 CA LYS A 49 -5.252 -15.255 35.215 1.00 0.00 C ATOM 753 C LYS A 49 -4.232 -15.468 34.100 1.00 0.00 C ATOM 754 O LYS A 49 -3.109 -14.973 34.171 1.00 0.00 O ATOM 755 CB LYS A 49 -6.628 -14.961 34.613 1.00 0.00 C ATOM 756 CG LYS A 49 -7.571 -14.252 35.569 1.00 0.00 C ATOM 757 CD LYS A 49 -8.809 -15.086 35.852 1.00 0.00 C ATOM 758 CE LYS A 49 -9.345 -14.831 37.252 1.00 0.00 C ATOM 759 NZ LYS A 49 -10.809 -15.090 37.341 1.00 0.00 N ATOM 0 H LYS A 49 -4.374 -14.468 36.948 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.310 -16.166 35.810 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.501 -14.349 33.720 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.084 -15.899 34.295 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.052 -14.041 36.504 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.867 -13.292 35.145 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.581 -14.854 35.118 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.570 -16.144 35.740 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.820 -15.468 37.964 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.141 -13.799 37.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.136 -14.905 38.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.313 -14.465 36.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.002 -16.082 37.094 1.00 0.00 H new ATOM 773 N ASN A 50 -4.634 -16.207 33.071 1.00 0.00 N ATOM 774 CA ASN A 50 -3.755 -16.485 31.941 1.00 0.00 C ATOM 775 C ASN A 50 -3.683 -15.286 31.000 1.00 0.00 C ATOM 776 O ASN A 50 -3.796 -15.430 29.783 1.00 0.00 O ATOM 777 CB ASN A 50 -4.246 -17.717 31.178 1.00 0.00 C ATOM 778 CG ASN A 50 -3.672 -19.007 31.732 1.00 0.00 C ATOM 779 OD1 ASN A 50 -3.268 -19.071 32.894 1.00 0.00 O ATOM 780 ND2 ASN A 50 -3.635 -20.043 30.902 1.00 0.00 N ATOM 0 H ASN A 50 -5.562 -16.624 32.996 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.755 -16.680 32.329 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.334 -17.758 31.222 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.973 -17.623 30.127 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.261 -20.937 31.219 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.981 -19.944 29.947 1.00 0.00 H new ATOM 787 N PHE A 51 -3.493 -14.102 31.574 1.00 0.00 N ATOM 788 CA PHE A 51 -3.406 -12.877 30.787 1.00 0.00 C ATOM 789 C PHE A 51 -1.968 -12.612 30.351 1.00 0.00 C ATOM 790 O PHE A 51 -1.021 -13.112 30.959 1.00 0.00 O ATOM 791 CB PHE A 51 -3.934 -11.689 31.594 1.00 0.00 C ATOM 792 CG PHE A 51 -2.904 -10.622 31.834 1.00 0.00 C ATOM 793 CD1 PHE A 51 -2.547 -9.746 30.821 1.00 0.00 C ATOM 794 CD2 PHE A 51 -2.292 -10.496 33.071 1.00 0.00 C ATOM 795 CE1 PHE A 51 -1.600 -8.763 31.038 1.00 0.00 C ATOM 796 CE2 PHE A 51 -1.345 -9.514 33.293 1.00 0.00 C ATOM 797 CZ PHE A 51 -0.998 -8.648 32.276 1.00 0.00 C ATOM 0 H PHE A 51 -3.396 -13.965 32.580 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.020 -13.003 29.895 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.783 -11.252 31.069 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.304 -12.048 32.554 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.014 -9.833 29.851 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.558 -11.172 33.870 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.331 -8.086 30.241 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.877 -9.424 34.262 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.257 -7.881 32.448 1.00 0.00 H new ATOM 807 N VAL A 52 -1.813 -11.822 29.294 1.00 0.00 N ATOM 808 CA VAL A 52 -0.491 -11.489 28.776 1.00 0.00 C ATOM 809 C VAL A 52 -0.409 -10.018 28.384 1.00 0.00 C ATOM 810 O VAL A 52 -1.370 -9.426 27.893 1.00 0.00 O ATOM 811 CB VAL A 52 -0.133 -12.355 27.553 1.00 0.00 C ATOM 812 CG1 VAL A 52 0.487 -11.501 26.457 1.00 0.00 C ATOM 813 CG2 VAL A 52 0.805 -13.483 27.956 1.00 0.00 C ATOM 0 H VAL A 52 -2.586 -11.400 28.779 1.00 0.00 H new ATOM 0 HA VAL A 52 0.222 -11.690 29.576 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.049 -12.797 27.161 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.733 -12.130 25.601 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.222 -10.732 26.150 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.394 -11.029 26.833 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.048 -14.085 27.080 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.721 -13.063 28.373 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.320 -14.110 28.704 1.00 0.00 H new ATOM 823 N PRO A 53 0.767 -9.412 28.605 1.00 0.00 N ATOM 824 CA PRO A 53 1.004 -8.002 28.282 1.00 0.00 C ATOM 825 C PRO A 53 1.046 -7.751 26.778 1.00 0.00 C ATOM 826 O PRO A 53 2.112 -7.530 26.206 1.00 0.00 O ATOM 827 CB PRO A 53 2.371 -7.718 28.910 1.00 0.00 C ATOM 828 CG PRO A 53 3.046 -9.045 28.961 1.00 0.00 C ATOM 829 CD PRO A 53 1.956 -10.056 29.188 1.00 0.00 C ATOM 0 HA PRO A 53 0.207 -7.359 28.655 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.941 -7.006 28.313 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.268 -7.288 29.906 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.579 -9.248 28.032 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.782 -9.078 29.764 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.180 -11.004 28.700 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.819 -10.268 30.248 1.00 0.00 H new ATOM 837 N GLY A 54 -0.122 -7.787 26.144 1.00 0.00 N ATOM 838 CA GLY A 54 -0.196 -7.562 24.712 1.00 0.00 C ATOM 839 C GLY A 54 -1.088 -6.389 24.355 1.00 0.00 C ATOM 840 O GLY A 54 -1.087 -5.922 23.216 1.00 0.00 O ATOM 0 H GLY A 54 -1.018 -7.968 26.596 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.807 -7.384 24.323 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.572 -8.462 24.225 1.00 0.00 H new ATOM 844 N LYS A 55 -1.855 -5.913 25.330 1.00 0.00 N ATOM 845 CA LYS A 55 -2.757 -4.788 25.114 1.00 0.00 C ATOM 846 C LYS A 55 -2.429 -3.638 26.059 1.00 0.00 C ATOM 847 O LYS A 55 -1.406 -3.657 26.746 1.00 0.00 O ATOM 848 CB LYS A 55 -4.210 -5.228 25.313 1.00 0.00 C ATOM 849 CG LYS A 55 -5.147 -4.743 24.221 1.00 0.00 C ATOM 850 CD LYS A 55 -6.504 -5.421 24.310 1.00 0.00 C ATOM 851 CE LYS A 55 -7.135 -5.229 25.680 1.00 0.00 C ATOM 852 NZ LYS A 55 -6.855 -6.378 26.586 1.00 0.00 N ATOM 0 H LYS A 55 -1.870 -6.289 26.278 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.626 -4.441 24.089 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.249 -6.316 25.356 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.564 -4.858 26.275 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.273 -3.663 24.301 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.704 -4.941 23.245 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.165 -5.016 23.544 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.394 -6.486 24.105 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.755 -4.311 26.129 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.213 -5.108 25.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.731 -6.915 26.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.143 -6.999 26.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.495 -6.024 27.495 1.00 0.00 H new ATOM 866 N HIS A 56 -3.302 -2.636 26.092 1.00 0.00 N ATOM 867 CA HIS A 56 -3.105 -1.477 26.955 1.00 0.00 C ATOM 868 C HIS A 56 -3.030 -1.898 28.420 1.00 0.00 C ATOM 869 O HIS A 56 -4.020 -1.832 29.148 1.00 0.00 O ATOM 870 CB HIS A 56 -4.239 -0.470 26.760 1.00 0.00 C ATOM 871 CG HIS A 56 -5.562 -1.108 26.465 1.00 0.00 C ATOM 872 ND1 HIS A 56 -6.100 -1.173 25.197 1.00 0.00 N ATOM 873 CD2 HIS A 56 -6.455 -1.712 27.282 1.00 0.00 C ATOM 874 CE1 HIS A 56 -7.267 -1.788 25.247 1.00 0.00 C ATOM 875 NE2 HIS A 56 -7.507 -2.126 26.501 1.00 0.00 N ATOM 0 H HIS A 56 -4.153 -2.604 25.531 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.161 -1.007 26.680 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -4.331 0.140 27.659 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -3.979 0.204 25.943 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -6.359 -1.844 28.350 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.915 -1.982 24.405 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -8.338 -2.615 26.835 1.00 0.00 H new ATOM 883 N THR A 57 -1.848 -2.332 28.846 1.00 0.00 N ATOM 884 CA THR A 57 -1.643 -2.766 30.222 1.00 0.00 C ATOM 885 C THR A 57 -0.333 -2.222 30.781 1.00 0.00 C ATOM 886 O THR A 57 0.737 -2.452 30.217 1.00 0.00 O ATOM 887 CB THR A 57 -1.637 -4.302 30.332 1.00 0.00 C ATOM 888 OG1 THR A 57 -2.975 -4.804 30.254 1.00 0.00 O ATOM 889 CG2 THR A 57 -0.998 -4.748 31.639 1.00 0.00 C ATOM 0 H THR A 57 -1.017 -2.392 28.257 1.00 0.00 H new ATOM 0 HA THR A 57 -2.475 -2.371 30.805 1.00 0.00 H new ATOM 0 HB THR A 57 -1.051 -4.701 29.504 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.962 -5.781 30.323 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.005 -5.837 31.695 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.030 -4.389 31.682 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.561 -4.338 32.478 1.00 0.00 H new ATOM 897 N PHE A 58 -0.424 -1.500 31.893 1.00 0.00 N ATOM 898 CA PHE A 58 0.756 -0.923 32.528 1.00 0.00 C ATOM 899 C PHE A 58 0.639 -0.985 34.049 1.00 0.00 C ATOM 900 O PHE A 58 -0.452 -1.155 34.593 1.00 0.00 O ATOM 901 CB PHE A 58 0.945 0.527 32.079 1.00 0.00 C ATOM 902 CG PHE A 58 0.478 1.534 33.090 1.00 0.00 C ATOM 903 CD1 PHE A 58 1.342 2.014 34.060 1.00 0.00 C ATOM 904 CD2 PHE A 58 -0.827 2.001 33.070 1.00 0.00 C ATOM 905 CE1 PHE A 58 0.914 2.941 34.992 1.00 0.00 C ATOM 906 CE2 PHE A 58 -1.261 2.928 33.999 1.00 0.00 C ATOM 907 CZ PHE A 58 -0.388 3.399 34.961 1.00 0.00 C ATOM 0 H PHE A 58 -1.302 -1.300 32.373 1.00 0.00 H new ATOM 0 HA PHE A 58 1.625 -1.507 32.223 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.000 0.699 31.868 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.404 0.683 31.146 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.362 1.660 34.089 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.513 1.636 32.320 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.598 3.307 35.744 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.280 3.283 33.973 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.724 4.124 35.687 1.00 0.00 H new ATOM 917 N LEU A 59 1.772 -0.847 34.728 1.00 0.00 N ATOM 918 CA LEU A 59 1.799 -0.887 36.186 1.00 0.00 C ATOM 919 C LEU A 59 2.338 0.421 36.757 1.00 0.00 C ATOM 920 O LEU A 59 3.309 0.980 36.248 1.00 0.00 O ATOM 921 CB LEU A 59 2.657 -2.059 36.668 1.00 0.00 C ATOM 922 CG LEU A 59 2.082 -3.455 36.429 1.00 0.00 C ATOM 923 CD1 LEU A 59 2.745 -4.470 37.346 1.00 0.00 C ATOM 924 CD2 LEU A 59 0.574 -3.453 36.635 1.00 0.00 C ATOM 0 H LEU A 59 2.684 -0.706 34.293 1.00 0.00 H new ATOM 0 HA LEU A 59 0.777 -1.023 36.540 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.628 -1.999 36.176 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.833 -1.939 37.737 1.00 0.00 H new ATOM 0 HG LEU A 59 2.288 -3.740 35.397 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.323 -5.458 37.161 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.817 -4.491 37.150 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.571 -4.190 38.385 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.182 -4.455 36.461 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.347 -3.147 37.656 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.112 -2.756 35.936 1.00 0.00 H new ATOM 936 N CYS A 60 1.702 0.902 37.820 1.00 0.00 N ATOM 937 CA CYS A 60 2.117 2.143 38.463 1.00 0.00 C ATOM 938 C CYS A 60 3.526 2.015 39.034 1.00 0.00 C ATOM 939 O CYS A 60 3.908 0.960 39.542 1.00 0.00 O ATOM 940 CB CYS A 60 1.136 2.519 39.575 1.00 0.00 C ATOM 941 SG CYS A 60 -0.617 2.397 39.093 1.00 0.00 S ATOM 0 H CYS A 60 0.897 0.451 38.254 1.00 0.00 H new ATOM 0 HA CYS A 60 2.120 2.930 37.709 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.311 1.871 40.434 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.343 3.539 39.898 1.00 0.00 H new ATOM 0 HG CYS A 60 -0.919 1.153 38.865 1.00 0.00 H new ATOM 946 N SER A 61 4.294 3.096 38.948 1.00 0.00 N ATOM 947 CA SER A 61 5.662 3.104 39.453 1.00 0.00 C ATOM 948 C SER A 61 5.682 2.938 40.970 1.00 0.00 C ATOM 949 O SER A 61 6.646 2.423 41.537 1.00 0.00 O ATOM 950 CB SER A 61 6.365 4.406 39.062 1.00 0.00 C ATOM 951 OG SER A 61 6.624 5.208 40.201 1.00 0.00 O ATOM 0 H SER A 61 3.992 3.978 38.533 1.00 0.00 H new ATOM 0 HA SER A 61 6.193 2.264 39.006 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.302 4.178 38.553 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.745 4.960 38.357 1.00 0.00 H new ATOM 0 HG SER A 61 7.075 6.033 39.925 1.00 0.00 H new ATOM 957 N LYS A 62 4.611 3.377 41.621 1.00 0.00 N ATOM 958 CA LYS A 62 4.502 3.277 43.072 1.00 0.00 C ATOM 959 C LYS A 62 4.791 1.855 43.542 1.00 0.00 C ATOM 960 O LYS A 62 5.416 1.650 44.584 1.00 0.00 O ATOM 961 CB LYS A 62 3.105 3.704 43.529 1.00 0.00 C ATOM 962 CG LYS A 62 3.039 5.138 44.024 1.00 0.00 C ATOM 963 CD LYS A 62 1.603 5.626 44.128 1.00 0.00 C ATOM 964 CE LYS A 62 1.077 5.508 45.551 1.00 0.00 C ATOM 965 NZ LYS A 62 0.417 4.195 45.791 1.00 0.00 N ATOM 0 H LYS A 62 3.805 3.806 41.167 1.00 0.00 H new ATOM 0 HA LYS A 62 5.242 3.944 43.515 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.408 3.582 42.700 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.773 3.038 44.325 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.520 5.210 44.999 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.596 5.784 43.345 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.546 6.665 43.803 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.971 5.046 43.456 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.900 5.635 46.254 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.367 6.312 45.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.072 4.154 46.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.384 4.085 45.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.101 3.428 45.632 1.00 0.00 H new ATOM 979 N HIS A 63 4.334 0.876 42.768 1.00 0.00 N ATOM 980 CA HIS A 63 4.546 -0.527 43.105 1.00 0.00 C ATOM 981 C HIS A 63 6.035 -0.844 43.199 1.00 0.00 C ATOM 982 O HIS A 63 6.462 -1.622 44.053 1.00 0.00 O ATOM 983 CB HIS A 63 3.885 -1.429 42.062 1.00 0.00 C ATOM 984 CG HIS A 63 2.416 -1.184 41.903 1.00 0.00 C ATOM 985 ND1 HIS A 63 1.495 -1.463 42.890 1.00 0.00 N ATOM 986 CD2 HIS A 63 1.711 -0.682 40.863 1.00 0.00 C ATOM 987 CE1 HIS A 63 0.286 -1.144 42.464 1.00 0.00 C ATOM 988 NE2 HIS A 63 0.389 -0.668 41.236 1.00 0.00 N ATOM 0 H HIS A 63 3.815 1.028 41.903 1.00 0.00 H new ATOM 0 HA HIS A 63 4.091 -0.715 44.077 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.376 -1.279 41.101 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.043 -2.471 42.342 1.00 0.00 H new ATOM 0 HD1 HIS A 63 1.713 -1.855 43.806 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.113 -0.353 39.916 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.631 -1.254 43.024 1.00 0.00 H new ATOM 996 N PHE A 64 6.822 -0.238 42.316 1.00 0.00 N ATOM 997 CA PHE A 64 8.263 -0.457 42.299 1.00 0.00 C ATOM 998 C PHE A 64 8.974 0.527 43.223 1.00 0.00 C ATOM 999 O PHE A 64 8.544 1.670 43.378 1.00 0.00 O ATOM 1000 CB PHE A 64 8.804 -0.319 40.874 1.00 0.00 C ATOM 1001 CG PHE A 64 8.211 -1.306 39.910 1.00 0.00 C ATOM 1002 CD1 PHE A 64 6.900 -1.174 39.483 1.00 0.00 C ATOM 1003 CD2 PHE A 64 8.966 -2.364 39.429 1.00 0.00 C ATOM 1004 CE1 PHE A 64 6.352 -2.081 38.595 1.00 0.00 C ATOM 1005 CE2 PHE A 64 8.423 -3.274 38.542 1.00 0.00 C ATOM 1006 CZ PHE A 64 7.114 -3.132 38.123 1.00 0.00 C ATOM 0 H PHE A 64 6.486 0.409 41.603 1.00 0.00 H new ATOM 0 HA PHE A 64 8.456 -1.468 42.657 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.606 0.691 40.515 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.887 -0.445 40.891 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.299 -0.354 39.848 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.990 -2.479 39.751 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.328 -1.968 38.270 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.021 -4.096 38.177 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.688 -3.841 37.428 1.00 0.00 H new ATOM 1016 N GLU A 65 10.064 0.074 43.834 1.00 0.00 N ATOM 1017 CA GLU A 65 10.834 0.914 44.744 1.00 0.00 C ATOM 1018 C GLU A 65 11.627 1.967 43.974 1.00 0.00 C ATOM 1019 O GLU A 65 11.096 3.016 43.611 1.00 0.00 O ATOM 1020 CB GLU A 65 11.784 0.058 45.584 1.00 0.00 C ATOM 1021 CG GLU A 65 11.110 -0.620 46.765 1.00 0.00 C ATOM 1022 CD GLU A 65 11.572 -0.065 48.098 1.00 0.00 C ATOM 1023 OE1 GLU A 65 12.168 1.033 48.108 1.00 0.00 O ATOM 1024 OE2 GLU A 65 11.338 -0.727 49.130 1.00 0.00 O ATOM 0 H GLU A 65 10.434 -0.869 43.716 1.00 0.00 H new ATOM 0 HA GLU A 65 10.134 1.424 45.406 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.233 -0.704 44.946 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.596 0.685 45.951 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.030 -0.500 46.680 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.315 -1.690 46.730 1.00 0.00 H new ATOM 1031 N ALA A 66 12.900 1.677 43.728 1.00 0.00 N ATOM 1032 CA ALA A 66 13.766 2.596 43.000 1.00 0.00 C ATOM 1033 C ALA A 66 14.816 1.840 42.193 1.00 0.00 C ATOM 1034 O ALA A 66 15.151 2.228 41.075 1.00 0.00 O ATOM 1035 CB ALA A 66 14.435 3.565 43.963 1.00 0.00 C ATOM 0 H ALA A 66 13.355 0.813 44.022 1.00 0.00 H new ATOM 0 HA ALA A 66 13.148 3.162 42.302 1.00 0.00 H new ATOM 0 HB1 ALA A 66 15.079 4.245 43.406 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.673 4.138 44.491 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.034 3.007 44.683 1.00 0.00 H new ATOM 1041 N SER A 67 15.331 0.758 42.768 1.00 0.00 N ATOM 1042 CA SER A 67 16.346 -0.051 42.104 1.00 0.00 C ATOM 1043 C SER A 67 15.810 -0.632 40.799 1.00 0.00 C ATOM 1044 O SER A 67 16.572 -1.130 39.969 1.00 0.00 O ATOM 1045 CB SER A 67 16.811 -1.181 43.025 1.00 0.00 C ATOM 1046 OG SER A 67 17.132 -0.688 44.315 1.00 0.00 O ATOM 0 H SER A 67 15.062 0.421 43.692 1.00 0.00 H new ATOM 0 HA SER A 67 17.195 0.593 41.873 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.028 -1.935 43.105 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.683 -1.672 42.592 1.00 0.00 H new ATOM 0 HG SER A 67 17.425 -1.429 44.885 1.00 0.00 H new ATOM 1052 N CYS A 68 14.495 -0.563 40.625 1.00 0.00 N ATOM 1053 CA CYS A 68 13.855 -1.082 39.421 1.00 0.00 C ATOM 1054 C CYS A 68 13.824 -0.025 38.323 1.00 0.00 C ATOM 1055 O CYS A 68 13.331 -0.272 37.222 1.00 0.00 O ATOM 1056 CB CYS A 68 12.434 -1.551 39.736 1.00 0.00 C ATOM 1057 SG CYS A 68 12.355 -3.126 40.620 1.00 0.00 S ATOM 0 H CYS A 68 13.851 -0.153 41.302 1.00 0.00 H new ATOM 0 HA CYS A 68 14.439 -1.931 39.065 1.00 0.00 H new ATOM 0 HB2 CYS A 68 11.934 -0.787 40.332 1.00 0.00 H new ATOM 0 HB3 CYS A 68 11.878 -1.642 38.803 1.00 0.00 H new ATOM 0 HG CYS A 68 11.422 -3.868 40.102 1.00 0.00 H new ATOM 1063 N PHE A 69 14.351 1.156 38.630 1.00 0.00 N ATOM 1064 CA PHE A 69 14.381 2.253 37.670 1.00 0.00 C ATOM 1065 C PHE A 69 15.813 2.715 37.417 1.00 0.00 C ATOM 1066 O PHE A 69 16.753 2.231 38.047 1.00 0.00 O ATOM 1067 CB PHE A 69 13.537 3.424 38.176 1.00 0.00 C ATOM 1068 CG PHE A 69 12.097 3.068 38.413 1.00 0.00 C ATOM 1069 CD1 PHE A 69 11.184 3.085 37.370 1.00 0.00 C ATOM 1070 CD2 PHE A 69 11.656 2.715 39.678 1.00 0.00 C ATOM 1071 CE1 PHE A 69 9.859 2.757 37.585 1.00 0.00 C ATOM 1072 CE2 PHE A 69 10.332 2.385 39.898 1.00 0.00 C ATOM 1073 CZ PHE A 69 9.432 2.408 38.851 1.00 0.00 C ATOM 0 H PHE A 69 14.763 1.378 39.536 1.00 0.00 H new ATOM 0 HA PHE A 69 13.963 1.892 36.730 1.00 0.00 H new ATOM 0 HB2 PHE A 69 13.968 3.797 39.105 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.587 4.237 37.452 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.512 3.358 36.378 1.00 0.00 H new ATOM 0 HD2 PHE A 69 12.355 2.697 40.501 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.158 2.774 36.764 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.001 2.109 40.888 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.396 2.154 39.022 1.00 0.00 H new ATOM 1083 N ASP A 70 15.970 3.654 36.490 1.00 0.00 N ATOM 1084 CA ASP A 70 17.286 4.183 36.153 1.00 0.00 C ATOM 1085 C ASP A 70 17.449 5.608 36.673 1.00 0.00 C ATOM 1086 O ASP A 70 17.102 6.573 35.989 1.00 0.00 O ATOM 1087 CB ASP A 70 17.500 4.151 34.639 1.00 0.00 C ATOM 1088 CG ASP A 70 18.883 3.661 34.260 1.00 0.00 C ATOM 1089 OD1 ASP A 70 19.497 2.934 35.069 1.00 0.00 O ATOM 1090 OD2 ASP A 70 19.352 4.003 33.154 1.00 0.00 O ATOM 0 H ASP A 70 15.202 4.064 35.959 1.00 0.00 H new ATOM 0 HA ASP A 70 18.036 3.553 36.631 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.751 3.504 34.183 1.00 0.00 H new ATOM 0 HB3 ASP A 70 17.348 5.151 34.232 1.00 0.00 H new ATOM 1095 N LEU A 71 17.976 5.734 37.885 1.00 0.00 N ATOM 1096 CA LEU A 71 18.183 7.042 38.498 1.00 0.00 C ATOM 1097 C LEU A 71 19.255 7.829 37.750 1.00 0.00 C ATOM 1098 O LEU A 71 18.959 8.817 37.077 1.00 0.00 O ATOM 1099 CB LEU A 71 18.583 6.882 39.966 1.00 0.00 C ATOM 1100 CG LEU A 71 17.719 5.933 40.797 1.00 0.00 C ATOM 1101 CD1 LEU A 71 16.259 6.041 40.385 1.00 0.00 C ATOM 1102 CD2 LEU A 71 18.211 4.500 40.652 1.00 0.00 C ATOM 0 H LEU A 71 18.268 4.946 38.464 1.00 0.00 H new ATOM 0 HA LEU A 71 17.245 7.595 38.442 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.614 6.531 40.005 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.563 7.865 40.436 1.00 0.00 H new ATOM 0 HG LEU A 71 17.802 6.221 41.845 1.00 0.00 H new ATOM 0 HD11 LEU A 71 15.660 5.358 40.987 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.912 7.062 40.540 1.00 0.00 H new ATOM 0 HD13 LEU A 71 16.158 5.780 39.332 1.00 0.00 H new ATOM 0 HD21 LEU A 71 17.585 3.838 41.250 1.00 0.00 H new ATOM 0 HD22 LEU A 71 18.158 4.201 39.605 1.00 0.00 H new ATOM 0 HD23 LEU A 71 19.243 4.433 40.997 1.00 0.00 H new ATOM 1152 N THR A 75 16.379 10.423 33.495 1.00 0.00 N ATOM 1153 CA THR A 75 15.160 10.346 34.291 1.00 0.00 C ATOM 1154 C THR A 75 14.902 8.920 34.765 1.00 0.00 C ATOM 1155 O THR A 75 15.349 7.958 34.140 1.00 0.00 O ATOM 1156 CB THR A 75 13.938 10.840 33.495 1.00 0.00 C ATOM 1157 OG1 THR A 75 12.735 10.556 34.218 1.00 0.00 O ATOM 1158 CG2 THR A 75 13.880 10.179 32.126 1.00 0.00 C ATOM 0 HA THR A 75 15.306 10.992 35.156 1.00 0.00 H new ATOM 0 HB THR A 75 14.034 11.917 33.357 1.00 0.00 H new ATOM 0 HG1 THR A 75 11.963 10.875 33.706 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.008 10.544 31.582 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.784 10.421 31.567 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.806 9.098 32.247 1.00 0.00 H new ATOM 1166 N ARG A 76 14.178 8.792 35.872 1.00 0.00 N ATOM 1167 CA ARG A 76 13.861 7.482 36.429 1.00 0.00 C ATOM 1168 C ARG A 76 13.133 6.617 35.405 1.00 0.00 C ATOM 1169 O ARG A 76 11.932 6.778 35.184 1.00 0.00 O ATOM 1170 CB ARG A 76 13.003 7.634 37.687 1.00 0.00 C ATOM 1171 CG ARG A 76 13.567 6.912 38.900 1.00 0.00 C ATOM 1172 CD ARG A 76 13.552 7.801 40.133 1.00 0.00 C ATOM 1173 NE ARG A 76 12.195 8.176 40.522 1.00 0.00 N ATOM 1174 CZ ARG A 76 11.907 9.263 41.229 1.00 0.00 C ATOM 1175 NH1 ARG A 76 12.876 10.077 41.624 1.00 0.00 N ATOM 1176 NH2 ARG A 76 10.647 9.537 41.544 1.00 0.00 N ATOM 0 H ARG A 76 13.800 9.578 36.401 1.00 0.00 H new ATOM 0 HA ARG A 76 14.798 6.991 36.693 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.900 8.694 37.921 1.00 0.00 H new ATOM 0 HB3 ARG A 76 12.002 7.255 37.482 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.984 6.011 39.092 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.588 6.593 38.693 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.036 7.281 40.960 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.135 8.701 39.938 1.00 0.00 H new ATOM 0 HE ARG A 76 11.426 7.570 40.235 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.846 9.869 41.385 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.652 10.911 42.167 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.899 8.913 41.243 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.427 10.372 42.087 1.00 0.00 H new ATOM 1190 N ARG A 77 13.867 5.701 34.783 1.00 0.00 N ATOM 1191 CA ARG A 77 13.292 4.812 33.781 1.00 0.00 C ATOM 1192 C ARG A 77 13.271 3.370 34.281 1.00 0.00 C ATOM 1193 O ARG A 77 14.291 2.842 34.727 1.00 0.00 O ATOM 1194 CB ARG A 77 14.084 4.899 32.475 1.00 0.00 C ATOM 1195 CG ARG A 77 14.071 6.283 31.846 1.00 0.00 C ATOM 1196 CD ARG A 77 15.397 6.601 31.173 1.00 0.00 C ATOM 1197 NE ARG A 77 15.225 7.457 30.002 1.00 0.00 N ATOM 1198 CZ ARG A 77 14.675 7.045 28.866 1.00 0.00 C ATOM 1199 NH1 ARG A 77 14.245 5.797 28.747 1.00 0.00 N ATOM 1200 NH2 ARG A 77 14.553 7.884 27.845 1.00 0.00 N ATOM 0 H ARG A 77 14.862 5.555 34.955 1.00 0.00 H new ATOM 0 HA ARG A 77 12.266 5.130 33.597 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.116 4.605 32.666 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.675 4.182 31.763 1.00 0.00 H new ATOM 0 HG2 ARG A 77 13.266 6.343 31.113 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.862 7.030 32.612 1.00 0.00 H new ATOM 0 HD2 ARG A 77 16.057 7.092 31.887 1.00 0.00 H new ATOM 0 HD3 ARG A 77 15.884 5.673 30.875 1.00 0.00 H new ATOM 0 HE ARG A 77 15.545 8.424 30.060 1.00 0.00 H new ATOM 0 HH11 ARG A 77 14.336 5.149 29.530 1.00 0.00 H new ATOM 0 HH12 ARG A 77 13.823 5.484 27.873 1.00 0.00 H new ATOM 0 HH21 ARG A 77 14.882 8.846 27.933 1.00 0.00 H new ATOM 0 HH22 ARG A 77 14.130 7.567 26.972 1.00 0.00 H new ATOM 1214 N LEU A 78 12.105 2.740 34.204 1.00 0.00 N ATOM 1215 CA LEU A 78 11.951 1.359 34.649 1.00 0.00 C ATOM 1216 C LEU A 78 12.755 0.409 33.766 1.00 0.00 C ATOM 1217 O LEU A 78 12.450 0.232 32.587 1.00 0.00 O ATOM 1218 CB LEU A 78 10.474 0.959 34.634 1.00 0.00 C ATOM 1219 CG LEU A 78 10.131 -0.367 35.313 1.00 0.00 C ATOM 1220 CD1 LEU A 78 11.026 -1.481 34.793 1.00 0.00 C ATOM 1221 CD2 LEU A 78 10.257 -0.241 36.824 1.00 0.00 C ATOM 0 H LEU A 78 11.252 3.163 33.838 1.00 0.00 H new ATOM 0 HA LEU A 78 12.331 1.288 35.668 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.899 1.750 35.115 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.142 0.910 33.597 1.00 0.00 H new ATOM 0 HG LEU A 78 9.098 -0.618 35.074 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.767 -2.417 35.288 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.886 -1.588 33.717 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.068 -1.237 35.000 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.009 -1.194 37.291 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.280 0.034 37.082 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.573 0.528 37.183 1.00 0.00 H new ATOM 1233 N LYS A 79 13.783 -0.201 34.346 1.00 0.00 N ATOM 1234 CA LYS A 79 14.630 -1.136 33.615 1.00 0.00 C ATOM 1235 C LYS A 79 13.792 -2.225 32.953 1.00 0.00 C ATOM 1236 O LYS A 79 12.944 -2.845 33.593 1.00 0.00 O ATOM 1237 CB LYS A 79 15.656 -1.769 34.557 1.00 0.00 C ATOM 1238 CG LYS A 79 16.379 -0.762 35.435 1.00 0.00 C ATOM 1239 CD LYS A 79 17.481 -1.421 36.247 1.00 0.00 C ATOM 1240 CE LYS A 79 17.279 -2.925 36.346 1.00 0.00 C ATOM 1241 NZ LYS A 79 18.273 -3.560 37.255 1.00 0.00 N ATOM 0 H LYS A 79 14.050 -0.064 35.321 1.00 0.00 H new ATOM 0 HA LYS A 79 15.154 -0.582 32.836 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.152 -2.497 35.193 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.390 -2.316 33.966 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.805 0.025 34.813 1.00 0.00 H new ATOM 0 HG3 LYS A 79 15.666 -0.286 36.107 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.447 -1.212 35.787 1.00 0.00 H new ATOM 0 HD3 LYS A 79 17.504 -0.990 37.248 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.272 -3.133 36.707 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.360 -3.368 35.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.101 -4.585 37.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.233 -3.383 36.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.179 -3.156 38.209 1.00 0.00 H new ATOM 1255 N MET A 80 14.038 -2.454 31.666 1.00 0.00 N ATOM 1256 CA MET A 80 13.307 -3.470 30.919 1.00 0.00 C ATOM 1257 C MET A 80 13.447 -4.837 31.581 1.00 0.00 C ATOM 1258 O MET A 80 12.657 -5.746 31.323 1.00 0.00 O ATOM 1259 CB MET A 80 13.814 -3.535 29.476 1.00 0.00 C ATOM 1260 CG MET A 80 13.945 -2.172 28.816 1.00 0.00 C ATOM 1261 SD MET A 80 13.432 -2.185 27.088 1.00 0.00 S ATOM 1262 CE MET A 80 12.444 -0.692 27.016 1.00 0.00 C ATOM 0 H MET A 80 14.737 -1.950 31.120 1.00 0.00 H new ATOM 0 HA MET A 80 12.252 -3.194 30.915 1.00 0.00 H new ATOM 0 HB2 MET A 80 14.785 -4.031 29.463 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.133 -4.151 28.888 1.00 0.00 H new ATOM 0 HG2 MET A 80 13.343 -1.448 29.364 1.00 0.00 H new ATOM 0 HG3 MET A 80 14.981 -1.839 28.881 1.00 0.00 H new ATOM 0 HE1 MET A 80 12.055 -0.562 26.006 1.00 0.00 H new ATOM 0 HE2 MET A 80 11.614 -0.771 27.718 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.062 0.166 27.280 1.00 0.00 H new ATOM 1272 N ASP A 81 14.456 -4.976 32.433 1.00 0.00 N ATOM 1273 CA ASP A 81 14.699 -6.233 33.133 1.00 0.00 C ATOM 1274 C ASP A 81 14.464 -6.074 34.631 1.00 0.00 C ATOM 1275 O ASP A 81 15.128 -6.715 35.445 1.00 0.00 O ATOM 1276 CB ASP A 81 16.127 -6.717 32.876 1.00 0.00 C ATOM 1277 CG ASP A 81 16.213 -7.667 31.698 1.00 0.00 C ATOM 1278 OD1 ASP A 81 15.443 -7.485 30.732 1.00 0.00 O ATOM 1279 OD2 ASP A 81 17.049 -8.594 31.742 1.00 0.00 O ATOM 0 H ASP A 81 15.119 -4.234 32.656 1.00 0.00 H new ATOM 0 HA ASP A 81 13.998 -6.975 32.750 1.00 0.00 H new ATOM 0 HB2 ASP A 81 16.772 -5.857 32.693 1.00 0.00 H new ATOM 0 HB3 ASP A 81 16.505 -7.215 33.769 1.00 0.00 H new ATOM 1284 N ALA A 82 13.515 -5.215 34.989 1.00 0.00 N ATOM 1285 CA ALA A 82 13.192 -4.973 36.390 1.00 0.00 C ATOM 1286 C ALA A 82 11.773 -5.429 36.713 1.00 0.00 C ATOM 1287 O ALA A 82 10.834 -5.144 35.969 1.00 0.00 O ATOM 1288 CB ALA A 82 13.363 -3.499 36.723 1.00 0.00 C ATOM 0 H ALA A 82 12.956 -4.675 34.328 1.00 0.00 H new ATOM 0 HA ALA A 82 13.881 -5.555 37.002 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.119 -3.332 37.772 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.396 -3.202 36.539 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.698 -2.905 36.097 1.00 0.00 H new ATOM 1294 N VAL A 83 11.624 -6.140 37.826 1.00 0.00 N ATOM 1295 CA VAL A 83 10.319 -6.635 38.248 1.00 0.00 C ATOM 1296 C VAL A 83 9.874 -5.974 39.548 1.00 0.00 C ATOM 1297 O VAL A 83 10.688 -5.572 40.379 1.00 0.00 O ATOM 1298 CB VAL A 83 10.334 -8.163 38.440 1.00 0.00 C ATOM 1299 CG1 VAL A 83 9.652 -8.855 37.270 1.00 0.00 C ATOM 1300 CG2 VAL A 83 11.760 -8.664 38.609 1.00 0.00 C ATOM 0 H VAL A 83 12.391 -6.386 38.452 1.00 0.00 H new ATOM 0 HA VAL A 83 9.614 -6.383 37.456 1.00 0.00 H new ATOM 0 HB VAL A 83 9.779 -8.404 39.347 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.672 -9.934 37.423 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.618 -8.518 37.200 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.176 -8.610 36.346 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.752 -9.746 38.744 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.341 -8.413 37.722 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.210 -8.193 39.483 1.00 0.00 H new ATOM 1310 N PRO A 84 8.550 -5.859 39.730 1.00 0.00 N ATOM 1311 CA PRO A 84 7.966 -5.249 40.928 1.00 0.00 C ATOM 1312 C PRO A 84 8.162 -6.110 42.172 1.00 0.00 C ATOM 1313 O PRO A 84 7.336 -6.969 42.481 1.00 0.00 O ATOM 1314 CB PRO A 84 6.479 -5.140 40.582 1.00 0.00 C ATOM 1315 CG PRO A 84 6.246 -6.209 39.571 1.00 0.00 C ATOM 1316 CD PRO A 84 7.521 -6.317 38.781 1.00 0.00 C ATOM 0 HA PRO A 84 8.433 -4.294 41.167 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.856 -5.287 41.464 1.00 0.00 H new ATOM 0 HB3 PRO A 84 6.237 -4.156 40.181 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.004 -7.156 40.053 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.406 -5.957 38.924 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.704 -7.340 38.452 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.494 -5.695 37.887 1.00 0.00 H new ATOM 1324 N THR A 85 9.260 -5.874 42.883 1.00 0.00 N ATOM 1325 CA THR A 85 9.564 -6.628 44.092 1.00 0.00 C ATOM 1326 C THR A 85 8.447 -6.492 45.120 1.00 0.00 C ATOM 1327 O THR A 85 8.418 -7.214 46.118 1.00 0.00 O ATOM 1328 CB THR A 85 10.889 -6.163 44.726 1.00 0.00 C ATOM 1329 OG1 THR A 85 10.857 -4.749 44.947 1.00 0.00 O ATOM 1330 CG2 THR A 85 12.069 -6.515 43.832 1.00 0.00 C ATOM 0 H THR A 85 9.954 -5.166 42.642 1.00 0.00 H new ATOM 0 HA THR A 85 9.658 -7.673 43.797 1.00 0.00 H new ATOM 0 HB THR A 85 11.010 -6.676 45.680 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.702 -4.462 45.352 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.994 -6.177 44.300 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.108 -7.595 43.689 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.952 -6.025 42.865 1.00 0.00 H new ATOM 1338 N ILE A 86 7.530 -5.564 44.871 1.00 0.00 N ATOM 1339 CA ILE A 86 6.410 -5.335 45.776 1.00 0.00 C ATOM 1340 C ILE A 86 5.097 -5.224 45.008 1.00 0.00 C ATOM 1341 O ILE A 86 4.949 -5.791 43.925 1.00 0.00 O ATOM 1342 CB ILE A 86 6.613 -4.058 46.612 1.00 0.00 C ATOM 1343 CG1 ILE A 86 8.102 -3.725 46.722 1.00 0.00 C ATOM 1344 CG2 ILE A 86 5.998 -4.225 47.993 1.00 0.00 C ATOM 1345 CD1 ILE A 86 8.558 -2.662 45.747 1.00 0.00 C ATOM 0 H ILE A 86 7.540 -4.958 44.050 1.00 0.00 H new ATOM 0 HA ILE A 86 6.365 -6.194 46.446 1.00 0.00 H new ATOM 0 HB ILE A 86 6.111 -3.230 46.111 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.317 -3.392 47.737 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.682 -4.633 46.555 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.150 -3.314 48.572 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.930 -4.418 47.895 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.473 -5.063 48.504 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.624 -2.477 45.882 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.375 -3.001 44.727 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.004 -1.741 45.928 1.00 0.00 H new ATOM 1357 N PHE A 87 4.147 -4.488 45.574 1.00 0.00 N ATOM 1358 CA PHE A 87 2.846 -4.301 44.943 1.00 0.00 C ATOM 1359 C PHE A 87 1.853 -3.674 45.918 1.00 0.00 C ATOM 1360 O PHE A 87 1.388 -2.553 45.712 1.00 0.00 O ATOM 1361 CB PHE A 87 2.305 -5.639 44.435 1.00 0.00 C ATOM 1362 CG PHE A 87 2.118 -5.684 42.946 1.00 0.00 C ATOM 1363 CD1 PHE A 87 3.010 -5.040 42.103 1.00 0.00 C ATOM 1364 CD2 PHE A 87 1.051 -6.369 42.388 1.00 0.00 C ATOM 1365 CE1 PHE A 87 2.841 -5.080 40.731 1.00 0.00 C ATOM 1366 CE2 PHE A 87 0.877 -6.413 41.018 1.00 0.00 C ATOM 1367 CZ PHE A 87 1.773 -5.766 40.188 1.00 0.00 C ATOM 0 H PHE A 87 4.254 -4.011 46.469 1.00 0.00 H new ATOM 0 HA PHE A 87 2.974 -3.625 44.098 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.989 -6.434 44.731 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.350 -5.843 44.919 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.847 -4.501 42.522 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.347 -6.875 43.032 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.544 -4.575 40.085 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.042 -6.952 40.596 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.638 -5.797 39.117 1.00 0.00 H new