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 -156:sc= -1.31! USER MOD Set 1.2: A 17 CYS SG : rot 160:sc= 0 USER MOD Set 1.3: A 60 CYS SG : rot 73:sc= -0.102 USER MOD Set 1.4: A 63 HIS : no HD1:sc= -1.27 X(o=-2.7,f=-2.6) USER MOD Single : A 11 ASN : amide:sc=-0.000825 K(o=-0.00083,f=-1.7) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.05 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=-0.14) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HE2:sc= -10! C(o=-10!,f=-14!) 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= -0.315 K(o=-0.31,f=-3.2!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -4.01! C(o=-4!,f=-2.7!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0693 USER MOD Single : A 61 SER OG : rot 160:sc= 0.158 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= 0.0494 USER MOD Single : A 75 THR OG1 : rot -90:sc= -0.461 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -162:sc=-0.00536 (180deg=-0.687) USER MOD Single : A 85 THR OG1 : rot 68:sc= 0.529 USER MOD ----------------------------------------------------------------- ATOM 111 N ASN A 11 -6.876 0.314 33.111 1.00 0.00 N ATOM 112 CA ASN A 11 -6.267 0.838 34.328 1.00 0.00 C ATOM 113 C ASN A 11 -5.221 -0.130 34.873 1.00 0.00 C ATOM 114 O ASN A 11 -5.105 -1.264 34.406 1.00 0.00 O ATOM 115 CB ASN A 11 -7.339 1.099 35.388 1.00 0.00 C ATOM 116 CG ASN A 11 -8.569 1.774 34.813 1.00 0.00 C ATOM 117 OD1 ASN A 11 -8.468 2.618 33.922 1.00 0.00 O ATOM 118 ND2 ASN A 11 -9.739 1.404 35.321 1.00 0.00 N ATOM 0 HA ASN A 11 -5.773 1.778 34.082 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.628 0.154 35.848 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.921 1.724 36.177 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.601 1.823 34.973 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.775 0.700 36.059 1.00 0.00 H new ATOM 125 N CYS A 12 -4.463 0.323 35.865 1.00 0.00 N ATOM 126 CA CYS A 12 -3.427 -0.501 36.476 1.00 0.00 C ATOM 127 C CYS A 12 -3.865 -1.961 36.545 1.00 0.00 C ATOM 128 O CYS A 12 -4.888 -2.285 37.147 1.00 0.00 O ATOM 129 CB CYS A 12 -3.099 0.011 37.879 1.00 0.00 C ATOM 130 SG CYS A 12 -1.761 -0.904 38.711 1.00 0.00 S ATOM 0 H CYS A 12 -4.547 1.258 36.264 1.00 0.00 H new ATOM 0 HA CYS A 12 -2.533 -0.436 35.856 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.820 1.063 37.814 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.998 -0.043 38.493 1.00 0.00 H new ATOM 0 HG CYS A 12 -1.878 -0.768 39.999 1.00 0.00 H new ATOM 135 N ALA A 13 -3.082 -2.838 35.925 1.00 0.00 N ATOM 136 CA ALA A 13 -3.387 -4.263 35.918 1.00 0.00 C ATOM 137 C ALA A 13 -3.363 -4.837 37.330 1.00 0.00 C ATOM 138 O ALA A 13 -4.009 -5.846 37.612 1.00 0.00 O ATOM 139 CB ALA A 13 -2.405 -5.009 35.026 1.00 0.00 C ATOM 0 H ALA A 13 -2.232 -2.586 35.421 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.393 -4.392 35.519 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.645 -6.072 35.030 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.474 -4.626 34.008 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.391 -4.864 35.400 1.00 0.00 H new ATOM 145 N ALA A 14 -2.612 -4.188 38.214 1.00 0.00 N ATOM 146 CA ALA A 14 -2.505 -4.633 39.598 1.00 0.00 C ATOM 147 C ALA A 14 -3.883 -4.847 40.215 1.00 0.00 C ATOM 148 O ALA A 14 -4.548 -3.894 40.618 1.00 0.00 O ATOM 149 CB ALA A 14 -1.709 -3.627 40.416 1.00 0.00 C ATOM 0 H ALA A 14 -2.069 -3.353 37.996 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.980 -5.588 39.606 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.637 -3.972 41.447 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.708 -3.527 39.996 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.211 -2.660 40.391 1.00 0.00 H new ATOM 155 N ALA A 15 -4.306 -6.105 40.284 1.00 0.00 N ATOM 156 CA ALA A 15 -5.605 -6.444 40.852 1.00 0.00 C ATOM 157 C ALA A 15 -5.775 -5.829 42.237 1.00 0.00 C ATOM 158 O ALA A 15 -5.136 -6.254 43.198 1.00 0.00 O ATOM 159 CB ALA A 15 -5.774 -7.955 40.919 1.00 0.00 C ATOM 0 H ALA A 15 -3.768 -6.906 39.954 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.377 -6.032 40.202 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.748 -8.194 41.345 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.705 -8.374 39.915 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.990 -8.381 41.545 1.00 0.00 H new ATOM 165 N GLY A 16 -6.642 -4.826 42.331 1.00 0.00 N ATOM 166 CA GLY A 16 -6.880 -4.168 43.603 1.00 0.00 C ATOM 167 C GLY A 16 -6.260 -2.786 43.666 1.00 0.00 C ATOM 168 O GLY A 16 -5.799 -2.352 44.722 1.00 0.00 O ATOM 0 H GLY A 16 -7.184 -4.457 41.550 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.954 -4.089 43.772 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.475 -4.782 44.407 1.00 0.00 H new ATOM 172 N CYS A 17 -6.247 -2.093 42.533 1.00 0.00 N ATOM 173 CA CYS A 17 -5.677 -0.753 42.462 1.00 0.00 C ATOM 174 C CYS A 17 -6.474 0.127 41.504 1.00 0.00 C ATOM 175 O CYS A 17 -7.255 0.977 41.930 1.00 0.00 O ATOM 176 CB CYS A 17 -4.215 -0.821 42.013 1.00 0.00 C ATOM 177 SG CYS A 17 -3.408 0.805 41.862 1.00 0.00 S ATOM 0 H CYS A 17 -6.625 -2.437 41.650 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.724 -0.312 43.458 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.655 -1.428 42.725 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.165 -1.331 41.051 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.117 0.654 41.901 1.00 0.00 H new ATOM 182 N ALA A 18 -6.271 -0.083 40.207 1.00 0.00 N ATOM 183 CA ALA A 18 -6.972 0.689 39.189 1.00 0.00 C ATOM 184 C ALA A 18 -6.514 2.143 39.191 1.00 0.00 C ATOM 185 O ALA A 18 -7.213 3.025 39.693 1.00 0.00 O ATOM 186 CB ALA A 18 -8.475 0.606 39.406 1.00 0.00 C ATOM 0 H ALA A 18 -5.627 -0.782 39.837 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.733 0.262 38.215 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.986 1.187 38.638 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.794 -0.434 39.346 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.723 1.006 40.389 1.00 0.00 H new ATOM 192 N THR A 19 -5.336 2.389 38.628 1.00 0.00 N ATOM 193 CA THR A 19 -4.784 3.737 38.567 1.00 0.00 C ATOM 194 C THR A 19 -4.345 4.088 37.150 1.00 0.00 C ATOM 195 O THR A 19 -3.646 3.313 36.495 1.00 0.00 O ATOM 196 CB THR A 19 -3.584 3.896 39.518 1.00 0.00 C ATOM 197 OG1 THR A 19 -3.995 4.558 40.720 1.00 0.00 O ATOM 198 CG2 THR A 19 -2.468 4.689 38.854 1.00 0.00 C ATOM 0 H THR A 19 -4.745 1.672 38.207 1.00 0.00 H new ATOM 0 HA THR A 19 -5.577 4.417 38.878 1.00 0.00 H new ATOM 0 HB THR A 19 -3.208 2.902 39.761 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.226 4.654 41.320 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.631 4.788 39.545 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.137 4.168 37.955 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.836 5.679 38.585 1.00 0.00 H new ATOM 206 N THR A 20 -4.758 5.261 36.680 1.00 0.00 N ATOM 207 CA THR A 20 -4.407 5.714 35.340 1.00 0.00 C ATOM 208 C THR A 20 -3.543 6.968 35.392 1.00 0.00 C ATOM 209 O THR A 20 -2.316 6.891 35.338 1.00 0.00 O ATOM 210 CB THR A 20 -5.664 6.004 34.498 1.00 0.00 C ATOM 211 OG1 THR A 20 -6.706 6.518 35.335 1.00 0.00 O ATOM 212 CG2 THR A 20 -6.147 4.745 33.794 1.00 0.00 C ATOM 0 H THR A 20 -5.336 5.915 37.208 1.00 0.00 H new ATOM 0 HA THR A 20 -3.843 4.908 34.871 1.00 0.00 H new ATOM 0 HB THR A 20 -5.405 6.746 33.743 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.501 6.701 34.792 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.035 4.975 33.206 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.362 4.373 33.135 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.390 3.984 34.536 1.00 0.00 H new ATOM 220 N TYR A 21 -4.191 8.123 35.498 1.00 0.00 N ATOM 221 CA TYR A 21 -3.482 9.395 35.556 1.00 0.00 C ATOM 222 C TYR A 21 -3.885 10.188 36.796 1.00 0.00 C ATOM 223 O TYR A 21 -5.052 10.203 37.184 1.00 0.00 O ATOM 224 CB TYR A 21 -3.762 10.218 34.298 1.00 0.00 C ATOM 225 CG TYR A 21 -2.878 11.437 34.161 1.00 0.00 C ATOM 226 CD1 TYR A 21 -1.495 11.315 34.113 1.00 0.00 C ATOM 227 CD2 TYR A 21 -3.426 12.711 34.079 1.00 0.00 C ATOM 228 CE1 TYR A 21 -0.684 12.426 33.989 1.00 0.00 C ATOM 229 CE2 TYR A 21 -2.623 13.828 33.954 1.00 0.00 C ATOM 230 CZ TYR A 21 -1.252 13.680 33.910 1.00 0.00 C ATOM 231 OH TYR A 21 -0.447 14.789 33.785 1.00 0.00 O ATOM 0 H TYR A 21 -5.207 8.204 35.545 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.414 9.183 35.613 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.629 9.583 33.422 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.805 10.535 34.306 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.046 10.334 34.174 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.499 12.830 34.114 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.390 12.313 33.954 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.066 14.811 33.891 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.004 15.594 33.741 1.00 0.00 H new ATOM 241 N ASN A 22 -2.909 10.847 37.412 1.00 0.00 N ATOM 242 CA ASN A 22 -3.161 11.643 38.608 1.00 0.00 C ATOM 243 C ASN A 22 -2.874 13.119 38.349 1.00 0.00 C ATOM 244 O ASN A 22 -2.075 13.465 37.478 1.00 0.00 O ATOM 245 CB ASN A 22 -2.302 11.142 39.770 1.00 0.00 C ATOM 246 CG ASN A 22 -3.059 10.195 40.682 1.00 0.00 C ATOM 247 OD1 ASN A 22 -3.124 8.991 40.429 1.00 0.00 O ATOM 248 ND2 ASN A 22 -3.635 10.735 41.749 1.00 0.00 N ATOM 0 H ASN A 22 -1.937 10.846 37.103 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.214 11.536 38.870 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.421 10.636 39.375 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.947 11.994 40.350 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.157 10.147 42.399 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.555 11.738 41.919 1.00 0.00 H new ATOM 313 N ASN A 26 2.536 11.830 40.220 1.00 0.00 N ATOM 314 CA ASN A 26 3.285 11.854 38.969 1.00 0.00 C ATOM 315 C ASN A 26 3.734 10.450 38.577 1.00 0.00 C ATOM 316 O ASN A 26 4.715 10.281 37.852 1.00 0.00 O ATOM 317 CB ASN A 26 4.500 12.775 39.095 1.00 0.00 C ATOM 318 CG ASN A 26 4.351 13.778 40.223 1.00 0.00 C ATOM 319 OD1 ASN A 26 4.603 13.463 41.386 1.00 0.00 O ATOM 320 ND2 ASN A 26 3.939 14.993 39.882 1.00 0.00 N ATOM 0 HA ASN A 26 2.628 12.237 38.188 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.393 12.173 39.263 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.647 13.308 38.156 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.820 15.710 40.597 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.742 15.209 38.905 1.00 0.00 H new ATOM 327 N ILE A 27 3.011 9.446 39.061 1.00 0.00 N ATOM 328 CA ILE A 27 3.334 8.057 38.761 1.00 0.00 C ATOM 329 C ILE A 27 3.582 7.861 37.269 1.00 0.00 C ATOM 330 O ILE A 27 2.887 8.439 36.433 1.00 0.00 O ATOM 331 CB ILE A 27 2.210 7.107 39.212 1.00 0.00 C ATOM 332 CG1 ILE A 27 2.331 6.814 40.709 1.00 0.00 C ATOM 333 CG2 ILE A 27 2.253 5.816 38.409 1.00 0.00 C ATOM 334 CD1 ILE A 27 1.140 6.075 41.278 1.00 0.00 C ATOM 0 H ILE A 27 2.197 9.569 39.663 1.00 0.00 H new ATOM 0 HA ILE A 27 4.243 7.818 39.313 1.00 0.00 H new ATOM 0 HB ILE A 27 1.250 7.592 39.032 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.231 6.225 40.884 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.456 7.754 41.246 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.452 5.155 38.740 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.124 6.041 37.350 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.214 5.325 38.560 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.294 5.901 42.343 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.239 6.672 41.135 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.027 5.119 40.767 1.00 0.00 H new ATOM 346 N SER A 28 4.575 7.041 36.942 1.00 0.00 N ATOM 347 CA SER A 28 4.916 6.769 35.551 1.00 0.00 C ATOM 348 C SER A 28 4.368 5.414 35.112 1.00 0.00 C ATOM 349 O SER A 28 4.342 4.461 35.890 1.00 0.00 O ATOM 350 CB SER A 28 6.434 6.805 35.359 1.00 0.00 C ATOM 351 OG SER A 28 7.057 7.584 36.365 1.00 0.00 O ATOM 0 H SER A 28 5.158 6.553 37.622 1.00 0.00 H new ATOM 0 HA SER A 28 4.461 7.543 34.933 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.831 5.790 35.383 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.670 7.217 34.378 1.00 0.00 H new ATOM 0 HG SER A 28 8.026 7.590 36.221 1.00 0.00 H new ATOM 357 N PHE A 29 3.931 5.338 33.859 1.00 0.00 N ATOM 358 CA PHE A 29 3.383 4.101 33.315 1.00 0.00 C ATOM 359 C PHE A 29 4.492 3.211 32.763 1.00 0.00 C ATOM 360 O PHE A 29 5.134 3.545 31.767 1.00 0.00 O ATOM 361 CB PHE A 29 2.366 4.410 32.214 1.00 0.00 C ATOM 362 CG PHE A 29 2.947 5.174 31.058 1.00 0.00 C ATOM 363 CD1 PHE A 29 3.552 4.507 30.005 1.00 0.00 C ATOM 364 CD2 PHE A 29 2.888 6.558 31.025 1.00 0.00 C ATOM 365 CE1 PHE A 29 4.088 5.208 28.941 1.00 0.00 C ATOM 366 CE2 PHE A 29 3.422 7.263 29.963 1.00 0.00 C ATOM 367 CZ PHE A 29 4.022 6.587 28.919 1.00 0.00 C ATOM 0 H PHE A 29 3.946 6.118 33.202 1.00 0.00 H new ATOM 0 HA PHE A 29 2.883 3.568 34.124 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.945 3.474 31.846 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.543 4.983 32.641 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.605 3.428 30.016 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.419 7.092 31.838 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.558 4.677 28.127 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.370 8.342 29.950 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.439 7.136 28.087 1.00 0.00 H new ATOM 377 N HIS A 30 4.712 2.075 33.417 1.00 0.00 N ATOM 378 CA HIS A 30 5.744 1.135 32.993 1.00 0.00 C ATOM 379 C HIS A 30 5.121 -0.158 32.476 1.00 0.00 C ATOM 380 O HIS A 30 4.804 -1.059 33.253 1.00 0.00 O ATOM 381 CB HIS A 30 6.694 0.830 34.151 1.00 0.00 C ATOM 382 CG HIS A 30 7.256 2.056 34.803 1.00 0.00 C ATOM 383 ND1 HIS A 30 8.357 2.729 34.316 1.00 0.00 N ATOM 384 CD2 HIS A 30 6.863 2.731 35.908 1.00 0.00 C ATOM 385 CE1 HIS A 30 8.618 3.764 35.095 1.00 0.00 C ATOM 386 NE2 HIS A 30 7.726 3.788 36.068 1.00 0.00 N ATOM 0 H HIS A 30 4.189 1.783 34.243 1.00 0.00 H new ATOM 0 HA HIS A 30 6.309 1.595 32.182 1.00 0.00 H new ATOM 0 HB2 HIS A 30 6.164 0.241 34.899 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.515 0.215 33.784 1.00 0.00 H new ATOM 0 HD1 HIS A 30 8.887 2.468 33.484 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.027 2.485 36.545 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.424 4.470 34.959 1.00 0.00 H new ATOM 394 N ARG A 31 4.948 -0.242 31.161 1.00 0.00 N ATOM 395 CA ARG A 31 4.362 -1.424 30.542 1.00 0.00 C ATOM 396 C ARG A 31 5.108 -2.687 30.964 1.00 0.00 C ATOM 397 O ARG A 31 6.040 -2.630 31.766 1.00 0.00 O ATOM 398 CB ARG A 31 4.383 -1.292 29.018 1.00 0.00 C ATOM 399 CG ARG A 31 5.724 -1.646 28.395 1.00 0.00 C ATOM 400 CD ARG A 31 5.904 -0.974 27.042 1.00 0.00 C ATOM 401 NE ARG A 31 7.274 -0.509 26.840 1.00 0.00 N ATOM 402 CZ ARG A 31 7.702 0.047 25.713 1.00 0.00 C ATOM 403 NH1 ARG A 31 6.872 0.208 24.692 1.00 0.00 N ATOM 404 NH2 ARG A 31 8.964 0.445 25.605 1.00 0.00 N ATOM 0 H ARG A 31 5.205 0.495 30.504 1.00 0.00 H new ATOM 0 HA ARG A 31 3.328 -1.504 30.879 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.613 -1.938 28.595 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.125 -0.268 28.747 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.529 -1.341 29.064 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.798 -2.727 28.278 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.639 -1.675 26.251 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.219 -0.130 26.963 1.00 0.00 H new ATOM 0 HE ARG A 31 7.938 -0.617 27.607 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.901 -0.096 24.771 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.204 0.636 23.827 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.606 0.324 26.388 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.292 0.872 24.739 1.00 0.00 H new ATOM 418 N PHE A 32 4.692 -3.824 30.418 1.00 0.00 N ATOM 419 CA PHE A 32 5.320 -5.101 30.739 1.00 0.00 C ATOM 420 C PHE A 32 6.617 -5.280 29.957 1.00 0.00 C ATOM 421 O PHE A 32 6.801 -4.725 28.873 1.00 0.00 O ATOM 422 CB PHE A 32 4.363 -6.255 30.433 1.00 0.00 C ATOM 423 CG PHE A 32 3.190 -6.325 31.368 1.00 0.00 C ATOM 424 CD1 PHE A 32 2.353 -5.233 31.535 1.00 0.00 C ATOM 425 CD2 PHE A 32 2.923 -7.483 32.082 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.272 -5.294 32.394 1.00 0.00 C ATOM 427 CE2 PHE A 32 1.844 -7.550 32.942 1.00 0.00 C ATOM 428 CZ PHE A 32 1.018 -6.454 33.100 1.00 0.00 C ATOM 0 H PHE A 32 3.923 -3.888 29.751 1.00 0.00 H new ATOM 0 HA PHE A 32 5.554 -5.105 31.803 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.997 -6.152 29.411 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.913 -7.195 30.482 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.548 -4.323 30.987 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.566 -8.343 31.964 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.627 -4.436 32.513 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.646 -8.459 33.491 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.176 -6.504 33.774 1.00 0.00 H new ATOM 438 N PRO A 33 7.541 -6.075 30.518 1.00 0.00 N ATOM 439 CA PRO A 33 8.838 -6.346 29.891 1.00 0.00 C ATOM 440 C PRO A 33 8.709 -7.214 28.644 1.00 0.00 C ATOM 441 O PRO A 33 7.813 -8.054 28.550 1.00 0.00 O ATOM 442 CB PRO A 33 9.610 -7.091 30.983 1.00 0.00 C ATOM 443 CG PRO A 33 8.558 -7.716 31.832 1.00 0.00 C ATOM 444 CD PRO A 33 7.390 -6.769 31.808 1.00 0.00 C ATOM 0 HA PRO A 33 9.326 -5.432 29.552 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.273 -7.844 30.556 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.233 -6.410 31.562 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.275 -8.695 31.445 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.917 -7.867 32.850 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.440 -7.300 31.870 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.420 -6.072 32.645 1.00 0.00 H new ATOM 452 N LEU A 34 9.607 -7.005 27.688 1.00 0.00 N ATOM 453 CA LEU A 34 9.594 -7.769 26.445 1.00 0.00 C ATOM 454 C LEU A 34 10.289 -9.115 26.626 1.00 0.00 C ATOM 455 O LEU A 34 10.227 -9.979 25.751 1.00 0.00 O ATOM 456 CB LEU A 34 10.276 -6.976 25.329 1.00 0.00 C ATOM 457 CG LEU A 34 9.677 -5.604 25.018 1.00 0.00 C ATOM 458 CD1 LEU A 34 8.202 -5.570 25.385 1.00 0.00 C ATOM 459 CD2 LEU A 34 10.437 -4.511 25.754 1.00 0.00 C ATOM 0 H LEU A 34 10.354 -6.313 27.749 1.00 0.00 H new ATOM 0 HA LEU A 34 8.555 -7.951 26.170 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.324 -6.841 25.595 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.253 -7.575 24.419 1.00 0.00 H new ATOM 0 HG LEU A 34 9.768 -5.424 23.947 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.793 -4.586 25.157 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.667 -6.327 24.812 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.087 -5.772 26.450 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.997 -3.541 25.521 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.378 -4.687 26.828 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.481 -4.520 25.441 1.00 0.00 H new ATOM 471 N ASP A 35 10.947 -9.287 27.767 1.00 0.00 N ATOM 472 CA ASP A 35 11.650 -10.529 28.065 1.00 0.00 C ATOM 473 C ASP A 35 10.706 -11.552 28.690 1.00 0.00 C ATOM 474 O ASP A 35 9.795 -11.212 29.444 1.00 0.00 O ATOM 475 CB ASP A 35 12.827 -10.261 29.004 1.00 0.00 C ATOM 476 CG ASP A 35 14.079 -11.011 28.593 1.00 0.00 C ATOM 477 OD1 ASP A 35 14.590 -10.750 27.484 1.00 0.00 O ATOM 478 OD2 ASP A 35 14.547 -11.859 29.381 1.00 0.00 O ATOM 0 H ASP A 35 11.008 -8.581 28.501 1.00 0.00 H new ATOM 0 HA ASP A 35 12.029 -10.937 27.128 1.00 0.00 H new ATOM 0 HB2 ASP A 35 13.037 -9.192 29.022 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.551 -10.549 30.019 1.00 0.00 H new ATOM 483 N PRO A 36 10.928 -12.835 28.369 1.00 0.00 N ATOM 484 CA PRO A 36 10.107 -13.933 28.887 1.00 0.00 C ATOM 485 C PRO A 36 10.326 -14.166 30.378 1.00 0.00 C ATOM 486 O PRO A 36 9.415 -14.587 31.092 1.00 0.00 O ATOM 487 CB PRO A 36 10.585 -15.144 28.081 1.00 0.00 C ATOM 488 CG PRO A 36 11.976 -14.803 27.674 1.00 0.00 C ATOM 489 CD PRO A 36 11.997 -13.313 27.475 1.00 0.00 C ATOM 0 HA PRO A 36 9.041 -13.729 28.784 1.00 0.00 H new ATOM 0 HB2 PRO A 36 10.560 -16.054 28.681 1.00 0.00 H new ATOM 0 HB3 PRO A 36 9.950 -15.317 27.212 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.691 -15.104 28.439 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.253 -15.323 26.757 1.00 0.00 H new ATOM 0 HD2 PRO A 36 12.964 -12.886 27.740 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.803 -13.043 26.437 1.00 0.00 H new ATOM 497 N LYS A 37 11.539 -13.890 30.844 1.00 0.00 N ATOM 498 CA LYS A 37 11.878 -14.067 32.251 1.00 0.00 C ATOM 499 C LYS A 37 11.074 -13.114 33.129 1.00 0.00 C ATOM 500 O LYS A 37 10.580 -13.498 34.189 1.00 0.00 O ATOM 501 CB LYS A 37 13.376 -13.838 32.469 1.00 0.00 C ATOM 502 CG LYS A 37 14.227 -15.063 32.180 1.00 0.00 C ATOM 503 CD LYS A 37 14.423 -15.266 30.687 1.00 0.00 C ATOM 504 CE LYS A 37 15.858 -15.650 30.361 1.00 0.00 C ATOM 505 NZ LYS A 37 16.125 -15.606 28.897 1.00 0.00 N ATOM 0 H LYS A 37 12.305 -13.542 30.267 1.00 0.00 H new ATOM 0 HA LYS A 37 11.628 -15.090 32.533 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.706 -13.018 31.831 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.541 -13.526 33.500 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.198 -14.955 32.664 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.753 -15.946 32.609 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.747 -16.045 30.333 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.161 -14.351 30.157 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.541 -14.973 30.875 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.060 -16.653 30.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.113 -15.874 28.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.491 -16.270 28.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.957 -14.643 28.542 1.00 0.00 H new ATOM 519 N ARG A 38 10.946 -11.869 32.680 1.00 0.00 N ATOM 520 CA ARG A 38 10.201 -10.861 33.425 1.00 0.00 C ATOM 521 C ARG A 38 8.721 -10.895 33.055 1.00 0.00 C ATOM 522 O ARG A 38 7.854 -10.921 33.928 1.00 0.00 O ATOM 523 CB ARG A 38 10.774 -9.469 33.153 1.00 0.00 C ATOM 524 CG ARG A 38 12.291 -9.408 33.236 1.00 0.00 C ATOM 525 CD ARG A 38 12.768 -9.338 34.678 1.00 0.00 C ATOM 526 NE ARG A 38 13.019 -10.664 35.236 1.00 0.00 N ATOM 527 CZ ARG A 38 13.758 -10.878 36.319 1.00 0.00 C ATOM 528 NH1 ARG A 38 14.316 -9.859 36.957 1.00 0.00 N ATOM 529 NH2 ARG A 38 13.940 -12.114 36.766 1.00 0.00 N ATOM 0 H ARG A 38 11.348 -11.535 31.804 1.00 0.00 H new ATOM 0 HA ARG A 38 10.297 -11.085 34.487 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.459 -9.143 32.162 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.351 -8.765 33.869 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.718 -10.286 32.753 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.652 -8.536 32.690 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.681 -8.744 34.730 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.020 -8.826 35.283 1.00 0.00 H new ATOM 0 HE ARG A 38 12.604 -11.470 34.769 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.179 -8.907 36.617 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.883 -10.027 37.788 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.512 -12.901 36.278 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.508 -12.277 37.598 1.00 0.00 H new ATOM 543 N ARG A 39 8.441 -10.893 31.756 1.00 0.00 N ATOM 544 CA ARG A 39 7.067 -10.921 31.270 1.00 0.00 C ATOM 545 C ARG A 39 6.204 -11.835 32.135 1.00 0.00 C ATOM 546 O ARG A 39 5.126 -11.446 32.586 1.00 0.00 O ATOM 547 CB ARG A 39 7.027 -11.391 29.815 1.00 0.00 C ATOM 548 CG ARG A 39 5.620 -11.515 29.254 1.00 0.00 C ATOM 549 CD ARG A 39 5.377 -12.894 28.660 1.00 0.00 C ATOM 550 NE ARG A 39 4.153 -12.939 27.864 1.00 0.00 N ATOM 551 CZ ARG A 39 3.817 -13.966 27.091 1.00 0.00 C ATOM 552 NH1 ARG A 39 4.608 -15.027 27.011 1.00 0.00 N ATOM 553 NH2 ARG A 39 2.686 -13.933 26.397 1.00 0.00 N ATOM 0 H ARG A 39 9.148 -10.872 31.021 1.00 0.00 H new ATOM 0 HA ARG A 39 6.667 -9.909 31.328 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.594 -10.692 29.200 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.525 -12.357 29.740 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.894 -11.325 30.044 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.464 -10.755 28.488 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.226 -13.175 28.036 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.315 -13.629 29.463 1.00 0.00 H new ATOM 0 HE ARG A 39 3.522 -12.139 27.904 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.477 -15.056 27.544 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.347 -15.814 26.417 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.074 -13.119 26.457 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.429 -14.722 25.804 1.00 0.00 H new ATOM 567 N LYS A 40 6.684 -13.053 32.362 1.00 0.00 N ATOM 568 CA LYS A 40 5.959 -14.024 33.173 1.00 0.00 C ATOM 569 C LYS A 40 5.858 -13.556 34.621 1.00 0.00 C ATOM 570 O LYS A 40 4.854 -13.796 35.291 1.00 0.00 O ATOM 571 CB LYS A 40 6.650 -15.388 33.113 1.00 0.00 C ATOM 572 CG LYS A 40 6.821 -15.921 31.701 1.00 0.00 C ATOM 573 CD LYS A 40 7.750 -17.124 31.668 1.00 0.00 C ATOM 574 CE LYS A 40 7.493 -17.993 30.447 1.00 0.00 C ATOM 575 NZ LYS A 40 8.746 -18.614 29.935 1.00 0.00 N ATOM 0 H LYS A 40 7.573 -13.392 31.995 1.00 0.00 H new ATOM 0 HA LYS A 40 4.951 -14.117 32.769 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.630 -15.311 33.584 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.072 -16.105 33.696 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.848 -16.200 31.296 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.219 -15.135 31.060 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.786 -16.785 31.663 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.613 -17.716 32.573 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.778 -18.775 30.702 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.039 -17.390 29.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.529 -19.198 29.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.419 -17.868 29.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.166 -19.210 30.676 1.00 0.00 H new ATOM 589 N GLU A 41 6.904 -12.888 35.096 1.00 0.00 N ATOM 590 CA GLU A 41 6.932 -12.386 36.465 1.00 0.00 C ATOM 591 C GLU A 41 5.879 -11.301 36.669 1.00 0.00 C ATOM 592 O GLU A 41 4.954 -11.461 37.466 1.00 0.00 O ATOM 593 CB GLU A 41 8.319 -11.836 36.803 1.00 0.00 C ATOM 594 CG GLU A 41 9.307 -12.903 37.242 1.00 0.00 C ATOM 595 CD GLU A 41 8.819 -14.308 36.945 1.00 0.00 C ATOM 596 OE1 GLU A 41 8.847 -14.709 35.763 1.00 0.00 O ATOM 597 OE2 GLU A 41 8.410 -15.006 37.897 1.00 0.00 O ATOM 0 H GLU A 41 7.743 -12.682 34.554 1.00 0.00 H new ATOM 0 HA GLU A 41 6.706 -13.217 37.133 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.719 -11.320 35.930 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.223 -11.094 37.595 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.260 -12.739 36.739 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.491 -12.805 38.312 1.00 0.00 H new ATOM 604 N TRP A 42 6.026 -10.199 35.944 1.00 0.00 N ATOM 605 CA TRP A 42 5.088 -9.086 36.044 1.00 0.00 C ATOM 606 C TRP A 42 3.655 -9.592 36.159 1.00 0.00 C ATOM 607 O TRP A 42 2.838 -9.015 36.877 1.00 0.00 O ATOM 608 CB TRP A 42 5.223 -8.167 34.829 1.00 0.00 C ATOM 609 CG TRP A 42 6.426 -7.276 34.888 1.00 0.00 C ATOM 610 CD1 TRP A 42 7.733 -7.667 34.944 1.00 0.00 C ATOM 611 CD2 TRP A 42 6.432 -5.844 34.899 1.00 0.00 C ATOM 612 NE1 TRP A 42 8.552 -6.564 34.990 1.00 0.00 N ATOM 613 CE2 TRP A 42 7.778 -5.434 34.962 1.00 0.00 C ATOM 614 CE3 TRP A 42 5.432 -4.869 34.860 1.00 0.00 C ATOM 615 CZ2 TRP A 42 8.147 -4.092 34.988 1.00 0.00 C ATOM 616 CZ3 TRP A 42 5.799 -3.537 34.885 1.00 0.00 C ATOM 617 CH2 TRP A 42 7.147 -3.158 34.948 1.00 0.00 C ATOM 0 H TRP A 42 6.786 -10.051 35.280 1.00 0.00 H new ATOM 0 HA TRP A 42 5.327 -8.521 36.945 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.275 -8.776 33.926 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.327 -7.551 34.747 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.073 -8.692 34.951 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.571 -6.584 35.037 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.391 -5.151 34.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.185 -3.798 35.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.034 -2.775 34.855 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.402 -2.109 34.965 1.00 0.00 H new ATOM 628 N VAL A 43 3.354 -10.674 35.447 1.00 0.00 N ATOM 629 CA VAL A 43 2.018 -11.258 35.471 1.00 0.00 C ATOM 630 C VAL A 43 1.868 -12.239 36.628 1.00 0.00 C ATOM 631 O VAL A 43 0.787 -12.378 37.200 1.00 0.00 O ATOM 632 CB VAL A 43 1.701 -11.985 34.151 1.00 0.00 C ATOM 633 CG1 VAL A 43 0.268 -12.495 34.153 1.00 0.00 C ATOM 634 CG2 VAL A 43 1.946 -11.066 32.964 1.00 0.00 C ATOM 0 H VAL A 43 4.017 -11.164 34.847 1.00 0.00 H new ATOM 0 HA VAL A 43 1.315 -10.436 35.603 1.00 0.00 H new ATOM 0 HB VAL A 43 2.367 -12.843 34.061 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.062 -13.006 33.212 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.130 -13.190 34.981 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.417 -11.655 34.267 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.717 -11.596 32.040 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.306 -10.187 33.046 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.991 -10.755 32.954 1.00 0.00 H new ATOM 644 N ARG A 44 2.959 -12.916 36.968 1.00 0.00 N ATOM 645 CA ARG A 44 2.949 -13.886 38.057 1.00 0.00 C ATOM 646 C ARG A 44 2.875 -13.183 39.409 1.00 0.00 C ATOM 647 O ARG A 44 2.485 -13.783 40.412 1.00 0.00 O ATOM 648 CB ARG A 44 4.198 -14.767 37.996 1.00 0.00 C ATOM 649 CG ARG A 44 4.745 -15.143 39.363 1.00 0.00 C ATOM 650 CD ARG A 44 3.781 -16.043 40.120 1.00 0.00 C ATOM 651 NE ARG A 44 3.681 -15.674 41.530 1.00 0.00 N ATOM 652 CZ ARG A 44 2.907 -16.310 42.403 1.00 0.00 C ATOM 653 NH1 ARG A 44 2.170 -17.341 42.013 1.00 0.00 N ATOM 654 NH2 ARG A 44 2.869 -15.915 43.669 1.00 0.00 N ATOM 0 H ARG A 44 3.862 -12.811 36.505 1.00 0.00 H new ATOM 0 HA ARG A 44 2.065 -14.513 37.943 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.963 -15.678 37.445 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.973 -14.245 37.435 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.703 -15.650 39.246 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.932 -14.239 39.943 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.795 -15.986 39.660 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.112 -17.078 40.039 1.00 0.00 H new ATOM 0 HE ARG A 44 4.236 -14.885 41.862 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.196 -17.648 41.041 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.577 -17.827 42.685 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.434 -15.122 43.973 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.274 -16.404 44.338 1.00 0.00 H new ATOM 668 N LEU A 45 3.251 -11.909 39.430 1.00 0.00 N ATOM 669 CA LEU A 45 3.228 -11.124 40.659 1.00 0.00 C ATOM 670 C LEU A 45 1.867 -10.466 40.859 1.00 0.00 C ATOM 671 O LEU A 45 1.246 -10.606 41.913 1.00 0.00 O ATOM 672 CB LEU A 45 4.324 -10.057 40.626 1.00 0.00 C ATOM 673 CG LEU A 45 5.762 -10.568 40.721 1.00 0.00 C ATOM 674 CD1 LEU A 45 6.682 -9.739 39.839 1.00 0.00 C ATOM 675 CD2 LEU A 45 6.242 -10.547 42.165 1.00 0.00 C ATOM 0 H LEU A 45 3.576 -11.398 38.609 1.00 0.00 H new ATOM 0 HA LEU A 45 3.411 -11.798 41.496 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.222 -9.489 39.702 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.152 -9.362 41.448 1.00 0.00 H new ATOM 0 HG LEU A 45 5.785 -11.599 40.367 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.701 -10.117 39.919 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.351 -9.806 38.803 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.655 -8.698 40.162 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.267 -10.914 42.213 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.204 -9.527 42.546 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.599 -11.185 42.771 1.00 0.00 H new ATOM 687 N VAL A 46 1.407 -9.748 39.839 1.00 0.00 N ATOM 688 CA VAL A 46 0.117 -9.070 39.902 1.00 0.00 C ATOM 689 C VAL A 46 -0.985 -10.026 40.345 1.00 0.00 C ATOM 690 O VAL A 46 -2.041 -9.598 40.810 1.00 0.00 O ATOM 691 CB VAL A 46 -0.263 -8.462 38.539 1.00 0.00 C ATOM 692 CG1 VAL A 46 -0.129 -9.499 37.434 1.00 0.00 C ATOM 693 CG2 VAL A 46 -1.676 -7.899 38.583 1.00 0.00 C ATOM 0 H VAL A 46 1.908 -9.621 38.960 1.00 0.00 H new ATOM 0 HA VAL A 46 0.215 -8.269 40.635 1.00 0.00 H new ATOM 0 HB VAL A 46 0.424 -7.644 38.322 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.402 -9.050 36.479 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.902 -9.851 37.388 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.791 -10.340 37.642 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.928 -7.473 37.612 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.378 -8.697 38.823 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.735 -7.123 39.346 1.00 0.00 H new ATOM 703 N ARG A 47 -0.730 -11.322 40.199 1.00 0.00 N ATOM 704 CA ARG A 47 -1.701 -12.339 40.583 1.00 0.00 C ATOM 705 C ARG A 47 -2.964 -12.235 39.733 1.00 0.00 C ATOM 706 O ARG A 47 -4.028 -11.863 40.227 1.00 0.00 O ATOM 707 CB ARG A 47 -2.058 -12.200 42.064 1.00 0.00 C ATOM 708 CG ARG A 47 -1.257 -13.117 42.973 1.00 0.00 C ATOM 709 CD ARG A 47 -0.919 -12.439 44.292 1.00 0.00 C ATOM 710 NE ARG A 47 0.226 -13.061 44.950 1.00 0.00 N ATOM 711 CZ ARG A 47 0.773 -12.597 46.068 1.00 0.00 C ATOM 712 NH1 ARG A 47 0.282 -11.511 46.649 1.00 0.00 N ATOM 713 NH2 ARG A 47 1.814 -13.219 46.607 1.00 0.00 N ATOM 0 H ARG A 47 0.141 -11.692 39.818 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.250 -13.317 40.414 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.898 -11.167 42.372 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.120 -12.410 42.194 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.825 -14.027 43.166 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.337 -13.416 42.470 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.706 -11.385 44.113 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.784 -12.482 44.954 1.00 0.00 H new ATOM 0 HE ARG A 47 0.628 -13.898 44.528 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.518 -11.030 46.238 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.704 -11.157 47.507 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.195 -14.054 46.163 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.233 -12.862 47.466 1.00 0.00 H new ATOM 727 N ARG A 48 -2.837 -12.565 38.452 1.00 0.00 N ATOM 728 CA ARG A 48 -3.967 -12.507 37.532 1.00 0.00 C ATOM 729 C ARG A 48 -3.973 -13.717 36.602 1.00 0.00 C ATOM 730 O ARG A 48 -3.302 -13.723 35.570 1.00 0.00 O ATOM 731 CB ARG A 48 -3.917 -11.218 36.710 1.00 0.00 C ATOM 732 CG ARG A 48 -4.961 -10.193 37.122 1.00 0.00 C ATOM 733 CD ARG A 48 -5.068 -9.068 36.104 1.00 0.00 C ATOM 734 NE ARG A 48 -6.279 -9.176 35.294 1.00 0.00 N ATOM 735 CZ ARG A 48 -6.586 -8.334 34.314 1.00 0.00 C ATOM 736 NH1 ARG A 48 -5.774 -7.328 34.022 1.00 0.00 N ATOM 737 NH2 ARG A 48 -7.706 -8.499 33.622 1.00 0.00 N ATOM 0 H ARG A 48 -1.963 -12.875 38.027 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.884 -12.518 38.121 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.926 -10.774 36.806 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.056 -11.463 35.657 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.930 -10.681 37.230 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.702 -9.780 38.097 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.063 -8.109 36.622 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.194 -9.084 35.453 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.925 -9.941 35.492 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.911 -7.199 34.550 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.012 -6.683 33.269 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.332 -9.273 33.843 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.941 -7.852 32.870 1.00 0.00 H new ATOM 751 N LYS A 49 -4.736 -14.739 36.975 1.00 0.00 N ATOM 752 CA LYS A 49 -4.831 -15.954 36.174 1.00 0.00 C ATOM 753 C LYS A 49 -5.692 -15.725 34.936 1.00 0.00 C ATOM 754 O LYS A 49 -6.675 -14.987 34.981 1.00 0.00 O ATOM 755 CB LYS A 49 -5.416 -17.095 37.010 1.00 0.00 C ATOM 756 CG LYS A 49 -6.463 -16.641 38.012 1.00 0.00 C ATOM 757 CD LYS A 49 -7.416 -17.768 38.372 1.00 0.00 C ATOM 758 CE LYS A 49 -7.114 -18.334 39.751 1.00 0.00 C ATOM 759 NZ LYS A 49 -8.011 -19.473 40.092 1.00 0.00 N ATOM 0 H LYS A 49 -5.297 -14.750 37.827 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.826 -16.225 35.851 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.861 -17.833 36.342 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.607 -17.595 37.544 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.971 -16.277 38.914 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.027 -15.805 37.597 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.442 -17.401 38.345 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.341 -18.561 37.628 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.076 -18.665 39.788 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.225 -17.548 40.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.773 -19.831 41.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.000 -19.151 40.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.887 -20.234 39.394 1.00 0.00 H new ATOM 773 N ASN A 50 -5.315 -16.362 33.833 1.00 0.00 N ATOM 774 CA ASN A 50 -6.054 -16.228 32.582 1.00 0.00 C ATOM 775 C ASN A 50 -5.884 -14.828 31.999 1.00 0.00 C ATOM 776 O ASN A 50 -6.784 -14.305 31.341 1.00 0.00 O ATOM 777 CB ASN A 50 -7.538 -16.522 32.809 1.00 0.00 C ATOM 778 CG ASN A 50 -7.995 -17.777 32.091 1.00 0.00 C ATOM 779 OD1 ASN A 50 -7.192 -18.483 31.480 1.00 0.00 O ATOM 780 ND2 ASN A 50 -9.290 -18.061 32.162 1.00 0.00 N ATOM 0 H ASN A 50 -4.502 -16.976 33.779 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.652 -16.950 31.871 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.725 -16.629 33.877 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.130 -15.674 32.465 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.656 -18.893 31.699 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.919 -17.447 32.680 1.00 0.00 H new ATOM 787 N PHE A 51 -4.724 -14.228 32.243 1.00 0.00 N ATOM 788 CA PHE A 51 -4.436 -12.889 31.742 1.00 0.00 C ATOM 789 C PHE A 51 -3.059 -12.838 31.086 1.00 0.00 C ATOM 790 O PHE A 51 -2.096 -13.413 31.593 1.00 0.00 O ATOM 791 CB PHE A 51 -4.509 -11.869 32.880 1.00 0.00 C ATOM 792 CG PHE A 51 -3.476 -10.784 32.779 1.00 0.00 C ATOM 793 CD1 PHE A 51 -3.543 -9.836 31.771 1.00 0.00 C ATOM 794 CD2 PHE A 51 -2.437 -10.711 33.693 1.00 0.00 C ATOM 795 CE1 PHE A 51 -2.594 -8.836 31.675 1.00 0.00 C ATOM 796 CE2 PHE A 51 -1.485 -9.713 33.603 1.00 0.00 C ATOM 797 CZ PHE A 51 -1.563 -8.775 32.592 1.00 0.00 C ATOM 0 H PHE A 51 -3.968 -14.647 32.784 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.186 -12.640 30.991 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.500 -11.416 32.888 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.388 -12.388 33.831 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -4.347 -9.879 31.051 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.370 -11.442 34.485 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.658 -8.103 30.884 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.681 -9.667 34.322 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.819 -7.995 32.519 1.00 0.00 H new ATOM 807 N VAL A 52 -2.975 -12.147 29.954 1.00 0.00 N ATOM 808 CA VAL A 52 -1.717 -12.020 29.227 1.00 0.00 C ATOM 809 C VAL A 52 -1.455 -10.571 28.832 1.00 0.00 C ATOM 810 O VAL A 52 -2.371 -9.814 28.508 1.00 0.00 O ATOM 811 CB VAL A 52 -1.710 -12.896 27.961 1.00 0.00 C ATOM 812 CG1 VAL A 52 -1.137 -12.125 26.781 1.00 0.00 C ATOM 813 CG2 VAL A 52 -0.924 -14.176 28.203 1.00 0.00 C ATOM 0 H VAL A 52 -3.763 -11.666 29.520 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.927 -12.359 29.898 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.738 -13.167 27.723 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.140 -12.760 25.895 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.745 -11.240 26.595 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.115 -11.822 27.006 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.930 -14.783 27.298 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.104 -13.927 28.467 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.383 -14.736 29.018 1.00 0.00 H new ATOM 823 N PRO A 53 -0.174 -10.173 28.857 1.00 0.00 N ATOM 824 CA PRO A 53 0.239 -8.813 28.503 1.00 0.00 C ATOM 825 C PRO A 53 0.078 -8.527 27.014 1.00 0.00 C ATOM 826 O PRO A 53 0.227 -9.420 26.180 1.00 0.00 O ATOM 827 CB PRO A 53 1.718 -8.777 28.897 1.00 0.00 C ATOM 828 CG PRO A 53 2.161 -10.198 28.833 1.00 0.00 C ATOM 829 CD PRO A 53 0.969 -11.022 29.233 1.00 0.00 C ATOM 0 HA PRO A 53 -0.368 -8.060 29.004 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.294 -8.151 28.215 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.851 -8.365 29.897 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.495 -10.458 27.829 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.001 -10.375 29.504 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.948 -11.978 28.711 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.972 -11.242 30.301 1.00 0.00 H new ATOM 837 N GLY A 54 -0.228 -7.275 26.685 1.00 0.00 N ATOM 838 CA GLY A 54 -0.404 -6.894 25.296 1.00 0.00 C ATOM 839 C GLY A 54 -0.278 -5.399 25.084 1.00 0.00 C ATOM 840 O GLY A 54 0.829 -4.872 24.968 1.00 0.00 O ATOM 0 H GLY A 54 -0.357 -6.518 27.356 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.338 -7.408 24.685 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.384 -7.225 24.953 1.00 0.00 H new ATOM 844 N LYS A 55 -1.414 -4.712 25.032 1.00 0.00 N ATOM 845 CA LYS A 55 -1.427 -3.268 24.832 1.00 0.00 C ATOM 846 C LYS A 55 -2.166 -2.568 25.968 1.00 0.00 C ATOM 847 O LYS A 55 -3.148 -3.090 26.498 1.00 0.00 O ATOM 848 CB LYS A 55 -2.084 -2.924 23.494 1.00 0.00 C ATOM 849 CG LYS A 55 -1.115 -2.368 22.465 1.00 0.00 C ATOM 850 CD LYS A 55 -1.318 -0.877 22.255 1.00 0.00 C ATOM 851 CE LYS A 55 -2.573 -0.594 21.444 1.00 0.00 C ATOM 852 NZ LYS A 55 -2.269 -0.411 19.998 1.00 0.00 N ATOM 0 H LYS A 55 -2.339 -5.133 25.126 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.395 -2.918 24.824 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.556 -3.820 23.090 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.877 -2.196 23.665 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.091 -2.554 22.790 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.249 -2.891 21.518 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.388 -0.379 23.222 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.451 -0.459 21.743 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.277 -1.417 21.566 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.060 0.302 21.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.150 -0.220 19.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.617 0.390 19.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.828 -1.275 19.624 1.00 0.00 H new ATOM 866 N HIS A 56 -1.690 -1.383 26.337 1.00 0.00 N ATOM 867 CA HIS A 56 -2.307 -0.611 27.409 1.00 0.00 C ATOM 868 C HIS A 56 -1.883 -1.142 28.775 1.00 0.00 C ATOM 869 O HIS A 56 -1.383 -0.394 29.616 1.00 0.00 O ATOM 870 CB HIS A 56 -3.831 -0.652 27.284 1.00 0.00 C ATOM 871 CG HIS A 56 -4.316 -0.622 25.868 1.00 0.00 C ATOM 872 ND1 HIS A 56 -4.101 0.445 25.021 1.00 0.00 N ATOM 873 CD2 HIS A 56 -5.008 -1.537 25.149 1.00 0.00 C ATOM 874 CE1 HIS A 56 -4.642 0.185 23.843 1.00 0.00 C ATOM 875 NE2 HIS A 56 -5.198 -1.012 23.895 1.00 0.00 N ATOM 0 H HIS A 56 -0.879 -0.937 25.909 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.970 0.422 27.319 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -4.203 -1.555 27.768 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.255 0.196 27.823 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.348 -2.501 25.497 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -4.631 0.840 22.984 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -5.689 -1.472 23.128 1.00 0.00 H new ATOM 883 N THR A 57 -2.086 -2.438 28.990 1.00 0.00 N ATOM 884 CA THR A 57 -1.726 -3.069 30.254 1.00 0.00 C ATOM 885 C THR A 57 -0.439 -2.477 30.817 1.00 0.00 C ATOM 886 O THR A 57 0.628 -2.600 30.215 1.00 0.00 O ATOM 887 CB THR A 57 -1.551 -4.590 30.093 1.00 0.00 C ATOM 888 OG1 THR A 57 -2.422 -5.078 29.066 1.00 0.00 O ATOM 889 CG2 THR A 57 -1.847 -5.311 31.400 1.00 0.00 C ATOM 0 H THR A 57 -2.498 -3.071 28.305 1.00 0.00 H new ATOM 0 HA THR A 57 -2.545 -2.877 30.947 1.00 0.00 H new ATOM 0 HB THR A 57 -0.516 -4.786 29.815 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.303 -6.046 28.969 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.717 -6.384 31.261 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.163 -4.959 32.172 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.874 -5.107 31.704 1.00 0.00 H new ATOM 897 N PHE A 58 -0.546 -1.835 31.976 1.00 0.00 N ATOM 898 CA PHE A 58 0.610 -1.224 32.620 1.00 0.00 C ATOM 899 C PHE A 58 0.509 -1.336 34.139 1.00 0.00 C ATOM 900 O PHE A 58 -0.530 -1.719 34.677 1.00 0.00 O ATOM 901 CB PHE A 58 0.730 0.247 32.213 1.00 0.00 C ATOM 902 CG PHE A 58 0.404 1.204 33.324 1.00 0.00 C ATOM 903 CD1 PHE A 58 1.379 1.594 34.228 1.00 0.00 C ATOM 904 CD2 PHE A 58 -0.876 1.715 33.463 1.00 0.00 C ATOM 905 CE1 PHE A 58 1.082 2.475 35.251 1.00 0.00 C ATOM 906 CE2 PHE A 58 -1.179 2.597 34.484 1.00 0.00 C ATOM 907 CZ PHE A 58 -0.198 2.977 35.378 1.00 0.00 C ATOM 0 H PHE A 58 -1.421 -1.725 32.488 1.00 0.00 H new ATOM 0 HA PHE A 58 1.501 -1.759 32.292 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.745 0.438 31.866 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.064 0.439 31.372 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.382 1.205 34.132 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.647 1.421 32.766 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.850 2.770 35.950 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.181 2.988 34.582 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.432 3.666 36.176 1.00 0.00 H new ATOM 917 N LEU A 59 1.596 -1.000 34.824 1.00 0.00 N ATOM 918 CA LEU A 59 1.632 -1.063 36.281 1.00 0.00 C ATOM 919 C LEU A 59 2.201 0.224 36.868 1.00 0.00 C ATOM 920 O LEU A 59 3.107 0.833 36.297 1.00 0.00 O ATOM 921 CB LEU A 59 2.468 -2.259 36.739 1.00 0.00 C ATOM 922 CG LEU A 59 1.825 -3.635 36.562 1.00 0.00 C ATOM 923 CD1 LEU A 59 2.635 -4.700 37.284 1.00 0.00 C ATOM 924 CD2 LEU A 59 0.389 -3.622 37.066 1.00 0.00 C ATOM 0 H LEU A 59 2.464 -0.681 34.394 1.00 0.00 H new ATOM 0 HA LEU A 59 0.610 -1.183 36.640 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.411 -2.248 36.193 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.709 -2.126 37.794 1.00 0.00 H new ATOM 0 HG LEU A 59 1.814 -3.875 35.499 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.162 -5.672 37.147 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.646 -4.727 36.876 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.679 -4.465 38.347 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.053 -4.610 36.932 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.377 -3.360 38.124 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.187 -2.887 36.504 1.00 0.00 H new ATOM 936 N CYS A 60 1.667 0.634 38.014 1.00 0.00 N ATOM 937 CA CYS A 60 2.122 1.848 38.681 1.00 0.00 C ATOM 938 C CYS A 60 3.547 1.682 39.199 1.00 0.00 C ATOM 939 O CYS A 60 3.981 0.572 39.510 1.00 0.00 O ATOM 940 CB CYS A 60 1.185 2.201 39.837 1.00 0.00 C ATOM 941 SG CYS A 60 -0.585 2.109 39.416 1.00 0.00 S ATOM 0 H CYS A 60 0.917 0.142 38.501 1.00 0.00 H new ATOM 0 HA CYS A 60 2.111 2.659 37.953 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.384 1.528 40.671 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.414 3.210 40.181 1.00 0.00 H new ATOM 0 HG CYS A 60 -0.941 0.863 39.307 1.00 0.00 H new ATOM 946 N SER A 61 4.271 2.793 39.289 1.00 0.00 N ATOM 947 CA SER A 61 5.649 2.771 39.766 1.00 0.00 C ATOM 948 C SER A 61 5.698 2.825 41.290 1.00 0.00 C ATOM 949 O SER A 61 6.709 2.485 41.904 1.00 0.00 O ATOM 950 CB SER A 61 6.434 3.945 39.178 1.00 0.00 C ATOM 951 OG SER A 61 5.671 5.138 39.216 1.00 0.00 O ATOM 0 H SER A 61 3.926 3.720 39.038 1.00 0.00 H new ATOM 0 HA SER A 61 6.105 1.837 39.438 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.360 4.084 39.736 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.713 3.721 38.149 1.00 0.00 H new ATOM 0 HG SER A 61 6.269 5.911 39.146 1.00 0.00 H new ATOM 957 N LYS A 62 4.596 3.254 41.896 1.00 0.00 N ATOM 958 CA LYS A 62 4.509 3.353 43.348 1.00 0.00 C ATOM 959 C LYS A 62 4.810 2.009 44.003 1.00 0.00 C ATOM 960 O LYS A 62 5.474 1.947 45.039 1.00 0.00 O ATOM 961 CB LYS A 62 3.117 3.835 43.765 1.00 0.00 C ATOM 962 CG LYS A 62 2.134 2.706 44.022 1.00 0.00 C ATOM 963 CD LYS A 62 0.697 3.198 43.981 1.00 0.00 C ATOM 964 CE LYS A 62 0.229 3.663 45.352 1.00 0.00 C ATOM 965 NZ LYS A 62 -0.651 2.656 46.008 1.00 0.00 N ATOM 0 H LYS A 62 3.750 3.539 41.403 1.00 0.00 H new ATOM 0 HA LYS A 62 5.253 4.076 43.683 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.206 4.440 44.667 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.717 4.483 42.985 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.273 1.924 43.275 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.339 2.258 44.995 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.612 4.019 43.269 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.047 2.398 43.625 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.095 3.856 45.985 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.309 4.606 45.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.949 3.010 46.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.490 2.490 45.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.129 1.764 46.127 1.00 0.00 H new ATOM 979 N HIS A 63 4.320 0.934 43.393 1.00 0.00 N ATOM 980 CA HIS A 63 4.540 -0.409 43.917 1.00 0.00 C ATOM 981 C HIS A 63 6.021 -0.773 43.876 1.00 0.00 C ATOM 982 O HIS A 63 6.577 -1.263 44.859 1.00 0.00 O ATOM 983 CB HIS A 63 3.730 -1.430 43.117 1.00 0.00 C ATOM 984 CG HIS A 63 2.314 -1.008 42.867 1.00 0.00 C ATOM 985 ND1 HIS A 63 1.406 -0.784 43.880 1.00 0.00 N ATOM 986 CD2 HIS A 63 1.653 -0.768 41.711 1.00 0.00 C ATOM 987 CE1 HIS A 63 0.247 -0.426 43.358 1.00 0.00 C ATOM 988 NE2 HIS A 63 0.370 -0.408 42.042 1.00 0.00 N ATOM 0 H HIS A 63 3.768 0.967 42.536 1.00 0.00 H new ATOM 0 HA HIS A 63 4.209 -0.426 44.955 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.223 -1.604 42.160 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.728 -2.380 43.652 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.059 -0.845 40.713 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.649 -0.188 43.912 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.368 -0.166 41.380 1.00 0.00 H new ATOM 996 N PHE A 64 6.653 -0.531 42.733 1.00 0.00 N ATOM 997 CA PHE A 64 8.070 -0.835 42.563 1.00 0.00 C ATOM 998 C PHE A 64 8.902 -0.177 43.660 1.00 0.00 C ATOM 999 O PHE A 64 8.421 0.702 44.375 1.00 0.00 O ATOM 1000 CB PHE A 64 8.553 -0.365 41.190 1.00 0.00 C ATOM 1001 CG PHE A 64 8.279 -1.350 40.089 1.00 0.00 C ATOM 1002 CD1 PHE A 64 7.017 -1.446 39.526 1.00 0.00 C ATOM 1003 CD2 PHE A 64 9.284 -2.179 39.618 1.00 0.00 C ATOM 1004 CE1 PHE A 64 6.761 -2.351 38.512 1.00 0.00 C ATOM 1005 CE2 PHE A 64 9.035 -3.086 38.604 1.00 0.00 C ATOM 1006 CZ PHE A 64 7.772 -3.172 38.052 1.00 0.00 C ATOM 0 H PHE A 64 6.207 -0.125 41.910 1.00 0.00 H new ATOM 0 HA PHE A 64 8.196 -1.915 42.634 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.070 0.582 40.948 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.625 -0.173 41.237 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.223 -0.806 39.883 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.273 -2.116 40.047 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.773 -2.416 38.081 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.827 -3.726 38.244 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.575 -3.881 37.261 1.00 0.00 H new ATOM 1016 N GLU A 65 10.152 -0.611 43.786 1.00 0.00 N ATOM 1017 CA GLU A 65 11.051 -0.065 44.797 1.00 0.00 C ATOM 1018 C GLU A 65 11.713 1.217 44.301 1.00 0.00 C ATOM 1019 O GLU A 65 12.290 1.973 45.082 1.00 0.00 O ATOM 1020 CB GLU A 65 12.121 -1.094 45.169 1.00 0.00 C ATOM 1021 CG GLU A 65 11.918 -1.714 46.542 1.00 0.00 C ATOM 1022 CD GLU A 65 13.191 -1.736 47.365 1.00 0.00 C ATOM 1023 OE1 GLU A 65 14.179 -2.352 46.912 1.00 0.00 O ATOM 1024 OE2 GLU A 65 13.199 -1.139 48.462 1.00 0.00 O ATOM 0 H GLU A 65 10.565 -1.338 43.202 1.00 0.00 H new ATOM 0 HA GLU A 65 10.461 0.171 45.682 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.128 -1.886 44.420 1.00 0.00 H new ATOM 0 HB3 GLU A 65 13.100 -0.616 45.137 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.152 -1.155 47.079 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.547 -2.732 46.426 1.00 0.00 H new ATOM 1031 N ALA A 66 11.627 1.454 42.996 1.00 0.00 N ATOM 1032 CA ALA A 66 12.216 2.644 42.395 1.00 0.00 C ATOM 1033 C ALA A 66 13.722 2.481 42.218 1.00 0.00 C ATOM 1034 O ALA A 66 14.367 3.282 41.541 1.00 0.00 O ATOM 1035 CB ALA A 66 11.912 3.869 43.243 1.00 0.00 C ATOM 0 H ALA A 66 11.155 0.837 42.335 1.00 0.00 H new ATOM 0 HA ALA A 66 11.773 2.780 41.408 1.00 0.00 H new ATOM 0 HB1 ALA A 66 12.358 4.750 42.782 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.833 4.004 43.314 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.327 3.732 44.242 1.00 0.00 H new ATOM 1041 N SER A 67 14.276 1.440 42.831 1.00 0.00 N ATOM 1042 CA SER A 67 15.708 1.176 42.745 1.00 0.00 C ATOM 1043 C SER A 67 16.052 0.472 41.437 1.00 0.00 C ATOM 1044 O SER A 67 17.215 0.162 41.173 1.00 0.00 O ATOM 1045 CB SER A 67 16.163 0.323 43.931 1.00 0.00 C ATOM 1046 OG SER A 67 16.811 1.116 44.911 1.00 0.00 O ATOM 0 H SER A 67 13.756 0.766 43.392 1.00 0.00 H new ATOM 0 HA SER A 67 16.231 2.132 42.772 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.302 -0.177 44.375 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.841 -0.457 43.583 1.00 0.00 H new ATOM 0 HG SER A 67 17.091 0.548 45.659 1.00 0.00 H new ATOM 1052 N CYS A 68 15.034 0.222 40.621 1.00 0.00 N ATOM 1053 CA CYS A 68 15.228 -0.447 39.339 1.00 0.00 C ATOM 1054 C CYS A 68 15.202 0.558 38.192 1.00 0.00 C ATOM 1055 O CYS A 68 15.429 0.203 37.036 1.00 0.00 O ATOM 1056 CB CYS A 68 14.148 -1.509 39.126 1.00 0.00 C ATOM 1057 SG CYS A 68 13.064 -1.756 40.552 1.00 0.00 S ATOM 0 H CYS A 68 14.066 0.472 40.824 1.00 0.00 H new ATOM 0 HA CYS A 68 16.205 -0.930 39.353 1.00 0.00 H new ATOM 0 HB2 CYS A 68 13.541 -1.227 38.266 1.00 0.00 H new ATOM 0 HB3 CYS A 68 14.628 -2.456 38.880 1.00 0.00 H new ATOM 0 HG CYS A 68 12.183 -2.671 40.274 1.00 0.00 H new ATOM 1063 N PHE A 69 14.922 1.815 38.520 1.00 0.00 N ATOM 1064 CA PHE A 69 14.863 2.872 37.517 1.00 0.00 C ATOM 1065 C PHE A 69 16.265 3.348 37.146 1.00 0.00 C ATOM 1066 O PHE A 69 17.240 3.035 37.830 1.00 0.00 O ATOM 1067 CB PHE A 69 14.033 4.049 38.033 1.00 0.00 C ATOM 1068 CG PHE A 69 12.561 3.760 38.103 1.00 0.00 C ATOM 1069 CD1 PHE A 69 12.090 2.659 38.801 1.00 0.00 C ATOM 1070 CD2 PHE A 69 11.648 4.588 37.471 1.00 0.00 C ATOM 1071 CE1 PHE A 69 10.736 2.390 38.866 1.00 0.00 C ATOM 1072 CE2 PHE A 69 10.292 4.324 37.533 1.00 0.00 C ATOM 1073 CZ PHE A 69 9.836 3.224 38.232 1.00 0.00 C ATOM 0 H PHE A 69 14.732 2.127 39.473 1.00 0.00 H new ATOM 0 HA PHE A 69 14.388 2.465 36.624 1.00 0.00 H new ATOM 0 HB2 PHE A 69 14.388 4.326 39.026 1.00 0.00 H new ATOM 0 HB3 PHE A 69 14.196 4.910 37.384 1.00 0.00 H new ATOM 0 HD1 PHE A 69 12.789 2.004 39.300 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.999 5.450 36.923 1.00 0.00 H new ATOM 0 HE1 PHE A 69 10.382 1.528 39.412 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.591 4.977 37.035 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.777 3.016 38.283 1.00 0.00 H new ATOM 1083 N ASP A 70 16.357 4.105 36.059 1.00 0.00 N ATOM 1084 CA ASP A 70 17.639 4.625 35.596 1.00 0.00 C ATOM 1085 C ASP A 70 17.846 6.060 36.070 1.00 0.00 C ATOM 1086 O ASP A 70 17.502 7.013 35.370 1.00 0.00 O ATOM 1087 CB ASP A 70 17.717 4.564 34.069 1.00 0.00 C ATOM 1088 CG ASP A 70 19.083 4.130 33.577 1.00 0.00 C ATOM 1089 OD1 ASP A 70 19.967 3.877 34.423 1.00 0.00 O ATOM 1090 OD2 ASP A 70 19.269 4.043 32.345 1.00 0.00 O ATOM 0 H ASP A 70 15.560 4.373 35.482 1.00 0.00 H new ATOM 0 HA ASP A 70 18.429 4.004 36.018 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.963 3.871 33.697 1.00 0.00 H new ATOM 0 HB3 ASP A 70 17.480 5.545 33.656 1.00 0.00 H new ATOM 1095 N LEU A 71 18.410 6.207 37.264 1.00 0.00 N ATOM 1096 CA LEU A 71 18.663 7.526 37.834 1.00 0.00 C ATOM 1097 C LEU A 71 19.719 8.274 37.027 1.00 0.00 C ATOM 1098 O LEU A 71 19.810 9.501 37.088 1.00 0.00 O ATOM 1099 CB LEU A 71 19.114 7.396 39.290 1.00 0.00 C ATOM 1100 CG LEU A 71 18.274 6.473 40.173 1.00 0.00 C ATOM 1101 CD1 LEU A 71 16.805 6.562 39.792 1.00 0.00 C ATOM 1102 CD2 LEU A 71 18.769 5.038 40.066 1.00 0.00 C ATOM 0 H LEU A 71 18.701 5.429 37.856 1.00 0.00 H new ATOM 0 HA LEU A 71 17.734 8.095 37.798 1.00 0.00 H new ATOM 0 HB2 LEU A 71 20.143 7.037 39.300 1.00 0.00 H new ATOM 0 HB3 LEU A 71 19.118 8.390 39.738 1.00 0.00 H new ATOM 0 HG LEU A 71 18.380 6.797 41.209 1.00 0.00 H new ATOM 0 HD11 LEU A 71 16.223 5.898 40.431 1.00 0.00 H new ATOM 0 HD12 LEU A 71 16.457 7.587 39.921 1.00 0.00 H new ATOM 0 HD13 LEU A 71 16.681 6.265 38.751 1.00 0.00 H new ATOM 0 HD21 LEU A 71 18.160 4.395 40.701 1.00 0.00 H new ATOM 0 HD22 LEU A 71 18.693 4.703 39.031 1.00 0.00 H new ATOM 0 HD23 LEU A 71 19.809 4.987 40.389 1.00 0.00 H new ATOM 1152 N THR A 75 16.925 10.212 32.204 1.00 0.00 N ATOM 1153 CA THR A 75 15.858 10.341 33.189 1.00 0.00 C ATOM 1154 C THR A 75 15.594 9.014 33.891 1.00 0.00 C ATOM 1155 O THR A 75 16.084 7.968 33.465 1.00 0.00 O ATOM 1156 CB THR A 75 14.552 10.835 32.540 1.00 0.00 C ATOM 1157 OG1 THR A 75 13.466 10.707 33.466 1.00 0.00 O ATOM 1158 CG2 THR A 75 14.243 10.046 31.277 1.00 0.00 C ATOM 0 HA THR A 75 16.191 11.076 33.922 1.00 0.00 H new ATOM 0 HB THR A 75 14.679 11.884 32.272 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.050 9.826 33.363 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.316 10.413 30.836 1.00 0.00 H new ATOM 0 HG22 THR A 75 15.058 10.168 30.563 1.00 0.00 H new ATOM 0 HG23 THR A 75 14.134 8.990 31.525 1.00 0.00 H new ATOM 1166 N ARG A 76 14.817 9.064 34.967 1.00 0.00 N ATOM 1167 CA ARG A 76 14.488 7.864 35.728 1.00 0.00 C ATOM 1168 C ARG A 76 13.617 6.920 34.904 1.00 0.00 C ATOM 1169 O ARG A 76 12.401 7.092 34.824 1.00 0.00 O ATOM 1170 CB ARG A 76 13.767 8.239 37.025 1.00 0.00 C ATOM 1171 CG ARG A 76 14.499 7.791 38.279 1.00 0.00 C ATOM 1172 CD ARG A 76 13.649 7.996 39.523 1.00 0.00 C ATOM 1173 NE ARG A 76 12.884 9.239 39.465 1.00 0.00 N ATOM 1174 CZ ARG A 76 13.426 10.444 39.600 1.00 0.00 C ATOM 1175 NH1 ARG A 76 14.731 10.568 39.800 1.00 0.00 N ATOM 1176 NH2 ARG A 76 12.664 11.527 39.534 1.00 0.00 N ATOM 0 H ARG A 76 14.403 9.922 35.332 1.00 0.00 H new ATOM 0 HA ARG A 76 15.419 7.352 35.972 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.635 9.321 37.058 1.00 0.00 H new ATOM 0 HB3 ARG A 76 12.771 7.797 37.018 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.766 6.738 38.189 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.430 8.349 38.377 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.965 7.155 39.638 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.292 8.007 40.403 1.00 0.00 H new ATOM 0 HE ARG A 76 11.877 9.178 39.312 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.320 9.737 39.850 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.145 11.494 39.903 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.660 11.435 39.379 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.082 12.452 39.638 1.00 0.00 H new ATOM 1190 N ARG A 77 14.249 5.922 34.294 1.00 0.00 N ATOM 1191 CA ARG A 77 13.533 4.951 33.476 1.00 0.00 C ATOM 1192 C ARG A 77 13.576 3.566 34.113 1.00 0.00 C ATOM 1193 O ARG A 77 14.641 3.078 34.493 1.00 0.00 O ATOM 1194 CB ARG A 77 14.133 4.897 32.070 1.00 0.00 C ATOM 1195 CG ARG A 77 14.032 6.211 31.313 1.00 0.00 C ATOM 1196 CD ARG A 77 15.113 6.325 30.249 1.00 0.00 C ATOM 1197 NE ARG A 77 14.630 7.000 29.048 1.00 0.00 N ATOM 1198 CZ ARG A 77 13.812 6.436 28.167 1.00 0.00 C ATOM 1199 NH1 ARG A 77 13.387 5.193 28.352 1.00 0.00 N ATOM 1200 NH2 ARG A 77 13.416 7.115 27.098 1.00 0.00 N ATOM 0 H ARG A 77 15.255 5.765 34.351 1.00 0.00 H new ATOM 0 HA ARG A 77 12.492 5.268 33.408 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.182 4.609 32.143 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.628 4.119 31.498 1.00 0.00 H new ATOM 0 HG2 ARG A 77 13.050 6.289 30.846 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.119 7.043 32.012 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.964 6.872 30.654 1.00 0.00 H new ATOM 0 HD3 ARG A 77 15.470 5.329 29.986 1.00 0.00 H new ATOM 0 HE ARG A 77 14.938 7.957 28.876 1.00 0.00 H new ATOM 0 HH11 ARG A 77 13.688 4.668 29.173 1.00 0.00 H new ATOM 0 HH12 ARG A 77 12.759 4.763 27.674 1.00 0.00 H new ATOM 0 HH21 ARG A 77 13.740 8.071 26.952 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.788 6.681 26.422 1.00 0.00 H new ATOM 1214 N LEU A 78 12.411 2.937 34.228 1.00 0.00 N ATOM 1215 CA LEU A 78 12.315 1.607 34.820 1.00 0.00 C ATOM 1216 C LEU A 78 13.099 0.588 34.000 1.00 0.00 C ATOM 1217 O LEU A 78 12.811 0.369 32.823 1.00 0.00 O ATOM 1218 CB LEU A 78 10.850 1.178 34.924 1.00 0.00 C ATOM 1219 CG LEU A 78 10.581 -0.108 35.706 1.00 0.00 C ATOM 1220 CD1 LEU A 78 11.408 -1.255 35.147 1.00 0.00 C ATOM 1221 CD2 LEU A 78 10.877 0.095 37.184 1.00 0.00 C ATOM 0 H LEU A 78 11.520 3.326 33.919 1.00 0.00 H new ATOM 0 HA LEU A 78 12.746 1.649 35.820 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.288 1.987 35.390 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.456 1.055 33.915 1.00 0.00 H new ATOM 0 HG LEU A 78 9.526 -0.362 35.599 1.00 0.00 H new ATOM 0 HD11 LEU A 78 11.204 -2.162 35.716 1.00 0.00 H new ATOM 0 HD12 LEU A 78 11.147 -1.416 34.101 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.467 -1.010 35.223 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.680 -0.831 37.725 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.923 0.374 37.311 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.240 0.888 37.577 1.00 0.00 H new ATOM 1233 N LYS A 79 14.089 -0.036 34.630 1.00 0.00 N ATOM 1234 CA LYS A 79 14.912 -1.035 33.960 1.00 0.00 C ATOM 1235 C LYS A 79 14.049 -2.148 33.374 1.00 0.00 C ATOM 1236 O LYS A 79 13.340 -2.843 34.101 1.00 0.00 O ATOM 1237 CB LYS A 79 15.930 -1.626 34.939 1.00 0.00 C ATOM 1238 CG LYS A 79 17.099 -0.702 35.233 1.00 0.00 C ATOM 1239 CD LYS A 79 17.721 -1.003 36.586 1.00 0.00 C ATOM 1240 CE LYS A 79 19.193 -1.363 36.455 1.00 0.00 C ATOM 1241 NZ LYS A 79 19.855 -1.484 37.783 1.00 0.00 N ATOM 0 H LYS A 79 14.340 0.133 35.604 1.00 0.00 H new ATOM 0 HA LYS A 79 15.443 -0.544 33.144 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.424 -1.867 35.874 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.311 -2.562 34.532 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.853 -0.808 34.453 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.760 0.334 35.210 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.614 -0.136 37.238 1.00 0.00 H new ATOM 0 HD3 LYS A 79 17.185 -1.826 37.059 1.00 0.00 H new ATOM 0 HE2 LYS A 79 19.290 -2.304 35.914 1.00 0.00 H new ATOM 0 HE3 LYS A 79 19.702 -0.602 35.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.857 -1.730 37.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.785 -0.578 38.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.386 -2.228 38.338 1.00 0.00 H new ATOM 1255 N MET A 80 14.116 -2.312 32.057 1.00 0.00 N ATOM 1256 CA MET A 80 13.342 -3.342 31.375 1.00 0.00 C ATOM 1257 C MET A 80 13.577 -4.709 32.011 1.00 0.00 C ATOM 1258 O MET A 80 12.802 -5.642 31.802 1.00 0.00 O ATOM 1259 CB MET A 80 13.710 -3.388 29.891 1.00 0.00 C ATOM 1260 CG MET A 80 13.575 -2.046 29.190 1.00 0.00 C ATOM 1261 SD MET A 80 13.371 -2.211 27.406 1.00 0.00 S ATOM 1262 CE MET A 80 14.541 -3.521 27.052 1.00 0.00 C ATOM 0 H MET A 80 14.698 -1.745 31.441 1.00 0.00 H new ATOM 0 HA MET A 80 12.286 -3.092 31.473 1.00 0.00 H new ATOM 0 HB2 MET A 80 14.737 -3.740 29.790 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.073 -4.116 29.389 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.720 -1.510 29.601 1.00 0.00 H new ATOM 0 HG3 MET A 80 14.459 -1.442 29.396 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.772 -3.525 25.987 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.456 -3.355 27.621 1.00 0.00 H new ATOM 0 HE3 MET A 80 14.108 -4.481 27.333 1.00 0.00 H new ATOM 1272 N ASP A 81 14.650 -4.819 32.787 1.00 0.00 N ATOM 1273 CA ASP A 81 14.986 -6.071 33.454 1.00 0.00 C ATOM 1274 C ASP A 81 14.549 -6.043 34.915 1.00 0.00 C ATOM 1275 O ASP A 81 15.071 -6.788 35.744 1.00 0.00 O ATOM 1276 CB ASP A 81 16.490 -6.334 33.364 1.00 0.00 C ATOM 1277 CG ASP A 81 16.847 -7.772 33.686 1.00 0.00 C ATOM 1278 OD1 ASP A 81 16.447 -8.669 32.915 1.00 0.00 O ATOM 1279 OD2 ASP A 81 17.525 -8.000 34.710 1.00 0.00 O ATOM 0 H ASP A 81 15.302 -4.056 32.969 1.00 0.00 H new ATOM 0 HA ASP A 81 14.453 -6.877 32.949 1.00 0.00 H new ATOM 0 HB2 ASP A 81 16.839 -6.092 32.360 1.00 0.00 H new ATOM 0 HB3 ASP A 81 17.014 -5.670 34.052 1.00 0.00 H new ATOM 1284 N ALA A 82 13.589 -5.177 35.224 1.00 0.00 N ATOM 1285 CA ALA A 82 13.081 -5.053 36.584 1.00 0.00 C ATOM 1286 C ALA A 82 11.670 -5.619 36.697 1.00 0.00 C ATOM 1287 O ALA A 82 10.896 -5.581 35.741 1.00 0.00 O ATOM 1288 CB ALA A 82 13.104 -3.596 37.025 1.00 0.00 C ATOM 0 H ALA A 82 13.148 -4.551 34.550 1.00 0.00 H new ATOM 0 HA ALA A 82 13.730 -5.631 37.242 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.722 -3.518 38.043 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.127 -3.222 36.992 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.479 -3.004 36.356 1.00 0.00 H new ATOM 1294 N VAL A 83 11.341 -6.145 37.873 1.00 0.00 N ATOM 1295 CA VAL A 83 10.022 -6.720 38.111 1.00 0.00 C ATOM 1296 C VAL A 83 9.431 -6.213 39.422 1.00 0.00 C ATOM 1297 O VAL A 83 10.147 -5.863 40.361 1.00 0.00 O ATOM 1298 CB VAL A 83 10.079 -8.259 38.147 1.00 0.00 C ATOM 1299 CG1 VAL A 83 9.518 -8.844 36.860 1.00 0.00 C ATOM 1300 CG2 VAL A 83 11.504 -8.734 38.382 1.00 0.00 C ATOM 0 H VAL A 83 11.970 -6.185 38.675 1.00 0.00 H new ATOM 0 HA VAL A 83 9.385 -6.407 37.283 1.00 0.00 H new ATOM 0 HB VAL A 83 9.463 -8.609 38.976 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.566 -9.932 36.903 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.481 -8.531 36.740 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.104 -8.488 36.013 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.525 -9.824 38.404 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.145 -8.375 37.577 1.00 0.00 H new ATOM 0 HG23 VAL A 83 11.865 -8.344 39.334 1.00 0.00 H new ATOM 1310 N PRO A 84 8.092 -6.173 39.490 1.00 0.00 N ATOM 1311 CA PRO A 84 7.374 -5.711 40.682 1.00 0.00 C ATOM 1312 C PRO A 84 7.502 -6.684 41.849 1.00 0.00 C ATOM 1313 O PRO A 84 6.534 -7.345 42.230 1.00 0.00 O ATOM 1314 CB PRO A 84 5.920 -5.630 40.211 1.00 0.00 C ATOM 1315 CG PRO A 84 5.832 -6.600 39.084 1.00 0.00 C ATOM 1316 CD PRO A 84 7.176 -6.575 38.410 1.00 0.00 C ATOM 0 HA PRO A 84 7.769 -4.766 41.055 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.229 -5.891 41.013 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.665 -4.621 39.886 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.596 -7.600 39.448 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.041 -6.319 38.388 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.439 -7.551 38.002 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.197 -5.867 37.581 1.00 0.00 H new ATOM 1324 N THR A 85 8.702 -6.769 42.415 1.00 0.00 N ATOM 1325 CA THR A 85 8.956 -7.662 43.538 1.00 0.00 C ATOM 1326 C THR A 85 8.516 -7.030 44.854 1.00 0.00 C ATOM 1327 O THR A 85 9.207 -7.138 45.867 1.00 0.00 O ATOM 1328 CB THR A 85 10.448 -8.032 43.634 1.00 0.00 C ATOM 1329 OG1 THR A 85 11.201 -6.915 44.119 1.00 0.00 O ATOM 1330 CG2 THR A 85 10.987 -8.463 42.278 1.00 0.00 C ATOM 0 H THR A 85 9.514 -6.230 42.113 1.00 0.00 H new ATOM 0 HA THR A 85 8.375 -8.567 43.360 1.00 0.00 H new ATOM 0 HB THR A 85 10.548 -8.866 44.329 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.966 -6.743 45.055 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.042 -8.719 42.371 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.432 -9.332 41.925 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.873 -7.646 41.565 1.00 0.00 H new ATOM 1338 N ILE A 86 7.362 -6.371 44.831 1.00 0.00 N ATOM 1339 CA ILE A 86 6.829 -5.724 46.023 1.00 0.00 C ATOM 1340 C ILE A 86 5.319 -5.913 46.123 1.00 0.00 C ATOM 1341 O ILE A 86 4.839 -6.786 46.846 1.00 0.00 O ATOM 1342 CB ILE A 86 7.148 -4.217 46.036 1.00 0.00 C ATOM 1343 CG1 ILE A 86 8.656 -3.994 46.157 1.00 0.00 C ATOM 1344 CG2 ILE A 86 6.411 -3.530 47.176 1.00 0.00 C ATOM 1345 CD1 ILE A 86 9.152 -2.784 45.396 1.00 0.00 C ATOM 0 H ILE A 86 6.779 -6.271 44.000 1.00 0.00 H new ATOM 0 HA ILE A 86 7.310 -6.197 46.880 1.00 0.00 H new ATOM 0 HB ILE A 86 6.810 -3.780 45.096 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.915 -3.882 47.210 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.176 -4.880 45.793 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.646 -2.466 47.172 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.337 -3.665 47.048 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.721 -3.967 48.125 1.00 0.00 H new ATOM 0 HD11 ILE A 86 10.230 -2.688 45.527 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.925 -2.902 44.337 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.659 -1.889 45.775 1.00 0.00 H new ATOM 1357 N PHE A 87 4.575 -5.091 45.391 1.00 0.00 N ATOM 1358 CA PHE A 87 3.119 -5.168 45.396 1.00 0.00 C ATOM 1359 C PHE A 87 2.571 -5.006 46.811 1.00 0.00 C ATOM 1360 O PHE A 87 2.248 -3.899 47.240 1.00 0.00 O ATOM 1361 CB PHE A 87 2.656 -6.502 44.807 1.00 0.00 C ATOM 1362 CG PHE A 87 2.385 -6.444 43.331 1.00 0.00 C ATOM 1363 CD1 PHE A 87 1.398 -5.612 42.827 1.00 0.00 C ATOM 1364 CD2 PHE A 87 3.117 -7.220 42.447 1.00 0.00 C ATOM 1365 CE1 PHE A 87 1.146 -5.557 41.469 1.00 0.00 C ATOM 1366 CE2 PHE A 87 2.870 -7.169 41.088 1.00 0.00 C ATOM 1367 CZ PHE A 87 1.883 -6.335 40.599 1.00 0.00 C ATOM 0 H PHE A 87 4.957 -4.363 44.786 1.00 0.00 H new ATOM 0 HA PHE A 87 2.735 -4.354 44.781 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.417 -7.258 44.999 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.751 -6.823 45.322 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.819 -5.000 43.503 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.890 -7.873 42.824 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.373 -4.906 41.089 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.447 -7.780 40.410 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.688 -6.292 39.538 1.00 0.00 H new