USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 518 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 79 GLN : amide:sc= -0.188 K(o=0.49,f=-11!) USER MOD Set 1.2: A 83 THR OG1 : rot 144:sc= 0.682 USER MOD Single : A 17 SER OG : rot -178:sc= -1.73! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 70:sc= 1.13 USER MOD Single : A 37 ASN : amide:sc= -0.515 K(o=-0.52,f=-4.5!) USER MOD Single : A 45 SER OG : rot 34:sc= 0.228 USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= 0.846 (180deg=0.673) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.68 K(o=-1.7,f=-0.73) USER MOD Single : A 56 HIS : no HD1:sc= -1.01 K(o=-1,f=0.25) USER MOD Single : A 59 TYR OH : rot 30:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0285 K(o=-0.028,f=-0.9) USER MOD Single : A 73 THR OG1 : rot 58:sc= -7.45! USER MOD Single : A 75 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0222) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 90 N ALA A 14 1.237 -10.707 7.576 1.00 0.00 N ATOM 91 CA ALA A 14 1.140 -9.544 6.663 1.00 0.00 C ATOM 92 C ALA A 14 0.028 -8.614 7.119 1.00 0.00 C ATOM 93 O ALA A 14 0.081 -7.428 6.888 1.00 0.00 O ATOM 94 CB ALA A 14 0.879 -9.994 5.236 1.00 0.00 C ATOM 0 HA ALA A 14 2.091 -9.012 6.689 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.812 -9.122 4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.695 -10.634 4.901 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.058 -10.550 5.195 1.00 0.00 H new ATOM 100 N VAL A 15 -0.975 -9.117 7.779 1.00 0.00 N ATOM 101 CA VAL A 15 -2.048 -8.203 8.246 1.00 0.00 C ATOM 102 C VAL A 15 -1.376 -7.030 8.953 1.00 0.00 C ATOM 103 O VAL A 15 -1.624 -5.871 8.654 1.00 0.00 O ATOM 104 CB VAL A 15 -2.977 -8.931 9.207 1.00 0.00 C ATOM 105 CG1 VAL A 15 -4.299 -8.169 9.281 1.00 0.00 C ATOM 106 CG2 VAL A 15 -3.222 -10.347 8.685 1.00 0.00 C ATOM 0 H VAL A 15 -1.097 -10.103 8.012 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.645 -7.852 7.404 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.531 -8.986 10.200 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.975 -8.680 9.967 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.116 -7.156 9.639 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.751 -8.127 8.290 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.887 -10.876 9.367 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.681 -10.296 7.698 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.273 -10.879 8.617 1.00 0.00 H new ATOM 116 N GLU A 16 -0.482 -7.325 9.855 1.00 0.00 N ATOM 117 CA GLU A 16 0.246 -6.230 10.546 1.00 0.00 C ATOM 118 C GLU A 16 1.326 -5.721 9.595 1.00 0.00 C ATOM 119 O GLU A 16 1.682 -4.564 9.621 1.00 0.00 O ATOM 120 CB GLU A 16 0.878 -6.704 11.869 1.00 0.00 C ATOM 121 CG GLU A 16 0.866 -8.231 11.970 1.00 0.00 C ATOM 122 CD GLU A 16 1.394 -8.656 13.342 1.00 0.00 C ATOM 123 OE1 GLU A 16 0.648 -8.545 14.302 1.00 0.00 O ATOM 124 OE2 GLU A 16 2.533 -9.085 13.410 1.00 0.00 O ATOM 0 H GLU A 16 -0.227 -8.270 10.141 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.455 -5.436 10.802 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.903 -6.340 11.937 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.332 -6.277 12.710 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.147 -8.608 11.826 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.482 -8.663 11.182 1.00 0.00 H new ATOM 131 N SER A 17 1.841 -6.565 8.732 1.00 0.00 N ATOM 132 CA SER A 17 2.872 -6.071 7.778 1.00 0.00 C ATOM 133 C SER A 17 2.254 -4.969 6.916 1.00 0.00 C ATOM 134 O SER A 17 2.866 -3.947 6.663 1.00 0.00 O ATOM 135 CB SER A 17 3.378 -7.188 6.877 1.00 0.00 C ATOM 136 OG SER A 17 3.684 -8.327 7.673 1.00 0.00 O ATOM 0 H SER A 17 1.596 -7.552 8.650 1.00 0.00 H new ATOM 0 HA SER A 17 3.718 -5.688 8.349 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.623 -7.441 6.133 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.264 -6.860 6.334 1.00 0.00 H new ATOM 0 HG SER A 17 4.039 -9.040 7.102 1.00 0.00 H new ATOM 142 N LYS A 18 1.037 -5.163 6.471 1.00 0.00 N ATOM 143 CA LYS A 18 0.381 -4.121 5.635 1.00 0.00 C ATOM 144 C LYS A 18 0.085 -2.902 6.504 1.00 0.00 C ATOM 145 O LYS A 18 0.443 -1.791 6.167 1.00 0.00 O ATOM 146 CB LYS A 18 -0.925 -4.665 5.044 1.00 0.00 C ATOM 147 CG LYS A 18 -1.681 -3.531 4.340 1.00 0.00 C ATOM 148 CD LYS A 18 -0.770 -2.871 3.302 1.00 0.00 C ATOM 149 CE LYS A 18 -1.443 -2.912 1.929 1.00 0.00 C ATOM 150 NZ LYS A 18 -0.417 -3.179 0.881 1.00 0.00 N ATOM 0 H LYS A 18 0.475 -5.995 6.651 1.00 0.00 H new ATOM 0 HA LYS A 18 1.045 -3.840 4.817 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.710 -5.467 4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.543 -5.093 5.833 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.576 -3.923 3.856 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.011 -2.792 5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.565 -1.839 3.587 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.189 -3.388 3.264 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.208 -3.688 1.910 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.944 -1.965 1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.874 -3.207 -0.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.298 -2.424 0.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.042 -4.093 1.069 1.00 0.00 H new ATOM 164 N LEU A 19 -0.553 -3.091 7.629 1.00 0.00 N ATOM 165 CA LEU A 19 -0.840 -1.919 8.502 1.00 0.00 C ATOM 166 C LEU A 19 0.486 -1.286 8.926 1.00 0.00 C ATOM 167 O LEU A 19 0.665 -0.091 8.850 1.00 0.00 O ATOM 168 CB LEU A 19 -1.617 -2.366 9.742 1.00 0.00 C ATOM 169 CG LEU A 19 -3.115 -2.369 9.438 1.00 0.00 C ATOM 170 CD1 LEU A 19 -3.713 -3.716 9.849 1.00 0.00 C ATOM 171 CD2 LEU A 19 -3.800 -1.248 10.224 1.00 0.00 C ATOM 0 H LEU A 19 -0.883 -3.992 7.976 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.442 -1.193 7.955 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.296 -3.363 10.045 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.407 -1.696 10.576 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.269 -2.210 8.371 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.781 -3.721 9.633 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.226 -4.516 9.291 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.558 -3.872 10.916 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.868 -1.251 10.006 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.647 -1.406 11.292 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.374 -0.288 9.934 1.00 0.00 H new ATOM 183 N ALA A 20 1.427 -2.076 9.354 1.00 0.00 N ATOM 184 CA ALA A 20 2.737 -1.498 9.751 1.00 0.00 C ATOM 185 C ALA A 20 3.212 -0.591 8.615 1.00 0.00 C ATOM 186 O ALA A 20 3.651 0.522 8.831 1.00 0.00 O ATOM 187 CB ALA A 20 3.754 -2.622 9.973 1.00 0.00 C ATOM 0 H ALA A 20 1.347 -3.089 9.446 1.00 0.00 H new ATOM 0 HA ALA A 20 2.638 -0.931 10.677 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.713 -2.193 10.264 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.398 -3.284 10.763 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.876 -3.190 9.051 1.00 0.00 H new ATOM 193 N GLU A 21 3.110 -1.063 7.397 1.00 0.00 N ATOM 194 CA GLU A 21 3.540 -0.237 6.234 1.00 0.00 C ATOM 195 C GLU A 21 2.675 1.025 6.154 1.00 0.00 C ATOM 196 O GLU A 21 3.146 2.119 6.394 1.00 0.00 O ATOM 197 CB GLU A 21 3.384 -1.051 4.946 1.00 0.00 C ATOM 198 CG GLU A 21 4.669 -1.834 4.677 1.00 0.00 C ATOM 199 CD GLU A 21 5.432 -1.185 3.523 1.00 0.00 C ATOM 200 OE1 GLU A 21 5.467 0.034 3.473 1.00 0.00 O ATOM 201 OE2 GLU A 21 5.967 -1.916 2.707 1.00 0.00 O ATOM 0 H GLU A 21 2.747 -1.986 7.161 1.00 0.00 H new ATOM 0 HA GLU A 21 4.584 0.050 6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.541 -1.736 5.036 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.168 -0.388 4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.290 -1.852 5.573 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.432 -2.869 4.433 1.00 0.00 H new ATOM 208 N ILE A 22 1.415 0.894 5.822 1.00 0.00 N ATOM 209 CA ILE A 22 0.556 2.108 5.740 1.00 0.00 C ATOM 210 C ILE A 22 0.780 2.955 6.982 1.00 0.00 C ATOM 211 O ILE A 22 0.872 4.163 6.916 1.00 0.00 O ATOM 212 CB ILE A 22 -0.906 1.727 5.612 1.00 0.00 C ATOM 213 CG1 ILE A 22 -1.154 0.467 6.383 1.00 0.00 C ATOM 214 CG2 ILE A 22 -1.254 1.515 4.141 1.00 0.00 C ATOM 215 CD1 ILE A 22 -2.534 0.582 7.020 1.00 0.00 C ATOM 0 H ILE A 22 0.952 0.011 5.607 1.00 0.00 H new ATOM 0 HA ILE A 22 0.826 2.681 4.853 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.531 2.526 6.011 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.107 -0.400 5.725 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.389 0.329 7.147 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.305 1.241 4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.070 2.436 3.587 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.635 0.716 3.732 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.748 -0.322 7.591 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.557 1.445 7.685 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.286 0.705 6.240 1.00 0.00 H new ATOM 227 N TRP A 23 0.893 2.330 8.113 1.00 0.00 N ATOM 228 CA TRP A 23 1.141 3.088 9.354 1.00 0.00 C ATOM 229 C TRP A 23 2.300 4.061 9.135 1.00 0.00 C ATOM 230 O TRP A 23 2.135 5.262 9.146 1.00 0.00 O ATOM 231 CB TRP A 23 1.540 2.109 10.448 1.00 0.00 C ATOM 232 CG TRP A 23 0.373 1.829 11.321 1.00 0.00 C ATOM 233 CD1 TRP A 23 -0.724 1.129 10.964 1.00 0.00 C ATOM 234 CD2 TRP A 23 0.177 2.234 12.697 1.00 0.00 C ATOM 235 NE1 TRP A 23 -1.583 1.076 12.043 1.00 0.00 N ATOM 236 CE2 TRP A 23 -1.069 1.748 13.139 1.00 0.00 C ATOM 237 CE3 TRP A 23 0.962 2.972 13.590 1.00 0.00 C ATOM 238 CZ2 TRP A 23 -1.522 1.986 14.438 1.00 0.00 C ATOM 239 CZ3 TRP A 23 0.513 3.218 14.894 1.00 0.00 C ATOM 240 CH2 TRP A 23 -0.730 2.728 15.318 1.00 0.00 C ATOM 0 H TRP A 23 0.823 1.319 8.229 1.00 0.00 H new ATOM 0 HA TRP A 23 0.242 3.638 9.634 1.00 0.00 H new ATOM 0 HB2 TRP A 23 1.905 1.183 10.004 1.00 0.00 H new ATOM 0 HB3 TRP A 23 2.357 2.523 11.039 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -0.900 0.684 9.996 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.485 0.600 12.034 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.921 3.355 13.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -2.478 1.599 14.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.127 3.788 15.576 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.075 2.924 16.323 1.00 0.00 H new ATOM 251 N GLU A 24 3.484 3.539 8.951 1.00 0.00 N ATOM 252 CA GLU A 24 4.671 4.421 8.755 1.00 0.00 C ATOM 253 C GLU A 24 4.469 5.328 7.533 1.00 0.00 C ATOM 254 O GLU A 24 4.839 6.483 7.543 1.00 0.00 O ATOM 255 CB GLU A 24 5.931 3.547 8.593 1.00 0.00 C ATOM 256 CG GLU A 24 6.271 3.333 7.112 1.00 0.00 C ATOM 257 CD GLU A 24 7.610 2.600 7.000 1.00 0.00 C ATOM 258 OE1 GLU A 24 8.132 2.199 8.027 1.00 0.00 O ATOM 259 OE2 GLU A 24 8.092 2.456 5.887 1.00 0.00 O ATOM 0 H GLU A 24 3.680 2.538 8.928 1.00 0.00 H new ATOM 0 HA GLU A 24 4.796 5.063 9.627 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.773 4.021 9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.772 2.583 9.076 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.485 2.754 6.627 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.325 4.292 6.597 1.00 0.00 H new ATOM 266 N ARG A 25 3.895 4.821 6.480 1.00 0.00 N ATOM 267 CA ARG A 25 3.691 5.671 5.272 1.00 0.00 C ATOM 268 C ARG A 25 2.631 6.738 5.563 1.00 0.00 C ATOM 269 O ARG A 25 2.928 7.910 5.674 1.00 0.00 O ATOM 270 CB ARG A 25 3.234 4.795 4.103 1.00 0.00 C ATOM 271 CG ARG A 25 2.721 5.681 2.967 1.00 0.00 C ATOM 272 CD ARG A 25 2.476 4.827 1.723 1.00 0.00 C ATOM 273 NE ARG A 25 3.770 4.594 1.020 1.00 0.00 N ATOM 274 CZ ARG A 25 3.780 4.317 -0.255 1.00 0.00 C ATOM 275 NH1 ARG A 25 3.168 3.253 -0.699 1.00 0.00 N ATOM 276 NH2 ARG A 25 4.405 5.104 -1.089 1.00 0.00 N ATOM 0 H ARG A 25 3.559 3.861 6.401 1.00 0.00 H new ATOM 0 HA ARG A 25 4.629 6.161 5.012 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.062 4.179 3.752 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.448 4.115 4.431 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.798 6.177 3.267 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.447 6.464 2.746 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.026 3.875 2.005 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.773 5.328 1.057 1.00 0.00 H new ATOM 0 HE ARG A 25 4.648 4.651 1.536 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.681 2.636 -0.049 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.177 3.038 -1.696 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.885 5.935 -0.744 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.413 4.888 -2.086 1.00 0.00 H new ATOM 290 N VAL A 26 1.399 6.335 5.681 1.00 0.00 N ATOM 291 CA VAL A 26 0.303 7.307 5.955 1.00 0.00 C ATOM 292 C VAL A 26 0.595 8.115 7.225 1.00 0.00 C ATOM 293 O VAL A 26 0.185 9.252 7.351 1.00 0.00 O ATOM 294 CB VAL A 26 -1.000 6.534 6.144 1.00 0.00 C ATOM 295 CG1 VAL A 26 -2.082 7.476 6.675 1.00 0.00 C ATOM 296 CG2 VAL A 26 -1.442 5.952 4.799 1.00 0.00 C ATOM 0 H VAL A 26 1.100 5.363 5.599 1.00 0.00 H new ATOM 0 HA VAL A 26 0.224 7.997 5.115 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.845 5.725 6.858 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.012 6.923 6.810 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.765 7.891 7.632 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.241 8.286 5.963 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.372 5.399 4.930 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.598 6.761 4.086 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.671 5.280 4.422 1.00 0.00 H new ATOM 306 N LEU A 27 1.271 7.534 8.175 1.00 0.00 N ATOM 307 CA LEU A 27 1.549 8.273 9.442 1.00 0.00 C ATOM 308 C LEU A 27 2.944 8.913 9.405 1.00 0.00 C ATOM 309 O LEU A 27 3.464 9.349 10.412 1.00 0.00 O ATOM 310 CB LEU A 27 1.431 7.298 10.612 1.00 0.00 C ATOM 311 CG LEU A 27 0.188 6.425 10.400 1.00 0.00 C ATOM 312 CD1 LEU A 27 0.171 5.284 11.416 1.00 0.00 C ATOM 313 CD2 LEU A 27 -1.074 7.278 10.570 1.00 0.00 C ATOM 0 H LEU A 27 1.642 6.585 8.132 1.00 0.00 H new ATOM 0 HA LEU A 27 0.824 9.078 9.562 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.323 6.676 10.677 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.354 7.844 11.552 1.00 0.00 H new ATOM 0 HG LEU A 27 0.214 6.008 9.393 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.715 4.669 11.258 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.064 4.672 11.291 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.152 5.696 12.425 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.956 6.656 10.419 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.095 7.700 11.575 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.069 8.085 9.837 1.00 0.00 H new ATOM 325 N GLY A 28 3.538 8.998 8.246 1.00 0.00 N ATOM 326 CA GLY A 28 4.883 9.636 8.126 1.00 0.00 C ATOM 327 C GLY A 28 5.858 9.055 9.151 1.00 0.00 C ATOM 328 O GLY A 28 6.603 9.772 9.787 1.00 0.00 O ATOM 0 H GLY A 28 3.148 8.651 7.370 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.274 9.483 7.120 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.793 10.712 8.273 1.00 0.00 H new ATOM 332 N VAL A 29 5.877 7.762 9.303 1.00 0.00 N ATOM 333 CA VAL A 29 6.824 7.142 10.273 1.00 0.00 C ATOM 334 C VAL A 29 7.782 6.232 9.514 1.00 0.00 C ATOM 335 O VAL A 29 7.813 6.221 8.299 1.00 0.00 O ATOM 336 CB VAL A 29 6.070 6.297 11.302 1.00 0.00 C ATOM 337 CG1 VAL A 29 6.668 6.531 12.690 1.00 0.00 C ATOM 338 CG2 VAL A 29 4.591 6.678 11.314 1.00 0.00 C ATOM 0 H VAL A 29 5.279 7.107 8.799 1.00 0.00 H new ATOM 0 HA VAL A 29 7.364 7.936 10.789 1.00 0.00 H new ATOM 0 HB VAL A 29 6.163 5.245 11.034 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.131 5.929 13.424 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.720 6.245 12.686 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.580 7.586 12.951 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.065 6.070 12.050 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.489 7.732 11.574 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.163 6.504 10.327 1.00 0.00 H new ATOM 348 N SER A 30 8.557 5.456 10.215 1.00 0.00 N ATOM 349 CA SER A 30 9.498 4.542 9.522 1.00 0.00 C ATOM 350 C SER A 30 9.644 3.250 10.331 1.00 0.00 C ATOM 351 O SER A 30 10.739 2.797 10.601 1.00 0.00 O ATOM 352 CB SER A 30 10.861 5.221 9.380 1.00 0.00 C ATOM 353 OG SER A 30 11.630 4.981 10.551 1.00 0.00 O ATOM 0 H SER A 30 8.579 5.416 11.234 1.00 0.00 H new ATOM 0 HA SER A 30 9.111 4.304 8.531 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.382 4.836 8.504 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.732 6.293 9.229 1.00 0.00 H new ATOM 0 HG SER A 30 11.894 4.038 10.581 1.00 0.00 H new ATOM 359 N GLY A 31 8.549 2.654 10.720 1.00 0.00 N ATOM 360 CA GLY A 31 8.629 1.394 11.511 1.00 0.00 C ATOM 361 C GLY A 31 7.511 1.371 12.556 1.00 0.00 C ATOM 362 O GLY A 31 6.601 0.568 12.489 1.00 0.00 O ATOM 0 H GLY A 31 7.604 2.985 10.524 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.540 0.532 10.850 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.600 1.322 12.001 1.00 0.00 H new ATOM 366 N ILE A 32 7.569 2.248 13.520 1.00 0.00 N ATOM 367 CA ILE A 32 6.510 2.276 14.568 1.00 0.00 C ATOM 368 C ILE A 32 6.430 0.913 15.260 1.00 0.00 C ATOM 369 O ILE A 32 6.810 -0.101 14.708 1.00 0.00 O ATOM 370 CB ILE A 32 5.162 2.592 13.920 1.00 0.00 C ATOM 371 CG1 ILE A 32 5.319 3.773 12.961 1.00 0.00 C ATOM 372 CG2 ILE A 32 4.148 2.955 15.005 1.00 0.00 C ATOM 373 CD1 ILE A 32 4.939 3.334 11.545 1.00 0.00 C ATOM 0 H ILE A 32 8.304 2.947 13.627 1.00 0.00 H new ATOM 0 HA ILE A 32 6.754 3.042 15.304 1.00 0.00 H new ATOM 0 HB ILE A 32 4.813 1.719 13.369 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.685 4.600 13.279 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.347 4.135 12.978 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.187 3.180 14.544 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.033 2.116 15.691 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.500 3.828 15.555 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.051 4.175 10.861 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.592 2.520 11.229 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.904 2.993 11.535 1.00 0.00 H new ATOM 385 N GLY A 33 5.928 0.882 16.465 1.00 0.00 N ATOM 386 CA GLY A 33 5.811 -0.414 17.193 1.00 0.00 C ATOM 387 C GLY A 33 4.567 -1.154 16.699 1.00 0.00 C ATOM 388 O GLY A 33 4.085 -0.913 15.611 1.00 0.00 O ATOM 0 H GLY A 33 5.594 1.699 16.977 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.701 -1.021 17.026 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.742 -0.238 18.266 1.00 0.00 H new ATOM 392 N ILE A 34 4.043 -2.057 17.482 1.00 0.00 N ATOM 393 CA ILE A 34 2.833 -2.811 17.039 1.00 0.00 C ATOM 394 C ILE A 34 1.581 -2.263 17.731 1.00 0.00 C ATOM 395 O ILE A 34 0.589 -1.986 17.088 1.00 0.00 O ATOM 396 CB ILE A 34 3.003 -4.292 17.382 1.00 0.00 C ATOM 397 CG1 ILE A 34 1.862 -5.094 16.754 1.00 0.00 C ATOM 398 CG2 ILE A 34 2.980 -4.475 18.901 1.00 0.00 C ATOM 399 CD1 ILE A 34 2.396 -5.899 15.568 1.00 0.00 C ATOM 0 H ILE A 34 4.398 -2.305 18.406 1.00 0.00 H new ATOM 0 HA ILE A 34 2.717 -2.694 15.961 1.00 0.00 H new ATOM 0 HB ILE A 34 3.957 -4.647 16.991 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.424 -5.764 17.494 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.070 -4.422 16.424 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.101 -5.531 19.142 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.794 -3.905 19.349 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.028 -4.120 19.296 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.583 -6.471 15.121 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.813 -5.219 14.825 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.173 -6.582 15.912 1.00 0.00 H new ATOM 411 N LEU A 35 1.606 -2.098 19.027 1.00 0.00 N ATOM 412 CA LEU A 35 0.397 -1.564 19.709 1.00 0.00 C ATOM 413 C LEU A 35 0.514 -0.043 19.828 1.00 0.00 C ATOM 414 O LEU A 35 0.064 0.560 20.783 1.00 0.00 O ATOM 415 CB LEU A 35 0.237 -2.190 21.092 1.00 0.00 C ATOM 416 CG LEU A 35 -1.156 -2.811 21.195 1.00 0.00 C ATOM 417 CD1 LEU A 35 -1.152 -3.912 22.253 1.00 0.00 C ATOM 418 CD2 LEU A 35 -2.163 -1.729 21.589 1.00 0.00 C ATOM 0 H LEU A 35 2.399 -2.307 19.633 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.484 -1.817 19.119 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.002 -2.950 21.253 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.371 -1.434 21.866 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.435 -3.239 20.232 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.147 -4.352 22.324 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.433 -4.682 21.974 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.873 -3.488 23.218 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.158 -2.168 21.664 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.881 -1.303 22.552 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.168 -0.944 20.833 1.00 0.00 H new ATOM 430 N ASP A 36 1.105 0.576 18.843 1.00 0.00 N ATOM 431 CA ASP A 36 1.252 2.060 18.850 1.00 0.00 C ATOM 432 C ASP A 36 -0.128 2.721 18.781 1.00 0.00 C ATOM 433 O ASP A 36 -1.071 2.156 18.275 1.00 0.00 O ATOM 434 CB ASP A 36 2.042 2.490 17.615 1.00 0.00 C ATOM 435 CG ASP A 36 3.523 2.633 17.971 1.00 0.00 C ATOM 436 OD1 ASP A 36 4.041 1.746 18.631 1.00 0.00 O ATOM 437 OD2 ASP A 36 4.113 3.624 17.577 1.00 0.00 O ATOM 0 H ASP A 36 1.497 0.111 18.024 1.00 0.00 H new ATOM 0 HA ASP A 36 1.766 2.360 19.763 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.919 1.755 16.819 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.656 3.437 17.237 1.00 0.00 H new ATOM 442 N ASN A 37 -0.244 3.927 19.260 1.00 0.00 N ATOM 443 CA ASN A 37 -1.556 4.633 19.194 1.00 0.00 C ATOM 444 C ASN A 37 -1.549 5.566 17.979 1.00 0.00 C ATOM 445 O ASN A 37 -0.700 6.427 17.855 1.00 0.00 O ATOM 446 CB ASN A 37 -1.767 5.451 20.468 1.00 0.00 C ATOM 447 CG ASN A 37 -2.891 4.827 21.295 1.00 0.00 C ATOM 448 OD1 ASN A 37 -3.495 3.855 20.886 1.00 0.00 O ATOM 449 ND2 ASN A 37 -3.201 5.348 22.450 1.00 0.00 N ATOM 0 H ASN A 37 0.512 4.456 19.695 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.364 3.907 19.102 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.846 5.481 21.050 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.017 6.481 20.214 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.950 4.940 23.009 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.694 6.164 22.794 1.00 0.00 H new ATOM 456 N PHE A 38 -2.477 5.398 17.075 1.00 0.00 N ATOM 457 CA PHE A 38 -2.497 6.285 15.861 1.00 0.00 C ATOM 458 C PHE A 38 -2.267 7.732 16.289 1.00 0.00 C ATOM 459 O PHE A 38 -1.780 8.541 15.524 1.00 0.00 O ATOM 460 CB PHE A 38 -3.851 6.189 15.120 1.00 0.00 C ATOM 461 CG PHE A 38 -4.022 4.816 14.505 1.00 0.00 C ATOM 462 CD1 PHE A 38 -3.302 4.439 13.364 1.00 0.00 C ATOM 463 CD2 PHE A 38 -4.885 3.907 15.108 1.00 0.00 C ATOM 464 CE1 PHE A 38 -3.455 3.152 12.837 1.00 0.00 C ATOM 465 CE2 PHE A 38 -5.031 2.621 14.594 1.00 0.00 C ATOM 466 CZ PHE A 38 -4.316 2.239 13.460 1.00 0.00 C ATOM 0 H PHE A 38 -3.216 4.696 17.117 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.707 5.956 15.185 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.667 6.387 15.815 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.902 6.951 14.343 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.630 5.141 12.892 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.447 4.201 15.982 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.910 2.863 11.951 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.698 1.920 15.074 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.426 1.241 13.062 1.00 0.00 H new ATOM 563 N SER A 45 -6.917 12.945 11.407 1.00 0.00 N ATOM 564 CA SER A 45 -7.716 11.703 11.614 1.00 0.00 C ATOM 565 C SER A 45 -7.866 10.973 10.278 1.00 0.00 C ATOM 566 O SER A 45 -7.807 9.759 10.208 1.00 0.00 O ATOM 567 CB SER A 45 -9.099 12.068 12.156 1.00 0.00 C ATOM 568 OG SER A 45 -8.950 12.899 13.299 1.00 0.00 O ATOM 0 HA SER A 45 -7.208 11.056 12.330 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.678 12.584 11.390 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.650 11.165 12.418 1.00 0.00 H new ATOM 0 HG SER A 45 -8.160 13.469 13.188 1.00 0.00 H new ATOM 574 N LEU A 46 -8.057 11.704 9.216 1.00 0.00 N ATOM 575 CA LEU A 46 -8.207 11.057 7.886 1.00 0.00 C ATOM 576 C LEU A 46 -7.013 10.137 7.626 1.00 0.00 C ATOM 577 O LEU A 46 -7.144 9.097 7.011 1.00 0.00 O ATOM 578 CB LEU A 46 -8.271 12.134 6.802 1.00 0.00 C ATOM 579 CG LEU A 46 -9.719 12.297 6.343 1.00 0.00 C ATOM 580 CD1 LEU A 46 -10.170 11.023 5.627 1.00 0.00 C ATOM 581 CD2 LEU A 46 -10.609 12.538 7.564 1.00 0.00 C ATOM 0 H LEU A 46 -8.116 12.722 9.213 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.125 10.469 7.869 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.891 13.079 7.189 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.638 11.857 5.959 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.796 13.144 5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.203 11.137 5.298 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.531 10.846 4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.098 10.177 6.310 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.644 12.655 7.242 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.534 11.688 8.242 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.284 13.443 8.078 1.00 0.00 H new ATOM 593 N LYS A 47 -5.847 10.506 8.089 1.00 0.00 N ATOM 594 CA LYS A 47 -4.658 9.639 7.863 1.00 0.00 C ATOM 595 C LYS A 47 -4.959 8.248 8.431 1.00 0.00 C ATOM 596 O LYS A 47 -4.832 7.246 7.747 1.00 0.00 O ATOM 597 CB LYS A 47 -3.411 10.302 8.505 1.00 0.00 C ATOM 598 CG LYS A 47 -2.857 9.514 9.709 1.00 0.00 C ATOM 599 CD LYS A 47 -3.287 10.197 11.010 1.00 0.00 C ATOM 600 CE LYS A 47 -2.460 9.641 12.171 1.00 0.00 C ATOM 601 NZ LYS A 47 -2.917 10.257 13.449 1.00 0.00 N ATOM 0 H LYS A 47 -5.669 11.365 8.610 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.441 9.523 6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.630 10.398 7.751 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.669 11.311 8.827 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.225 8.488 9.686 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.770 9.464 9.655 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.146 11.275 10.932 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.348 10.026 11.190 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.565 8.557 12.220 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.403 9.852 12.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.560 9.699 14.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.554 11.229 13.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.957 10.273 13.475 1.00 0.00 H new ATOM 615 N ALA A 48 -5.385 8.167 9.663 1.00 0.00 N ATOM 616 CA ALA A 48 -5.715 6.831 10.219 1.00 0.00 C ATOM 617 C ALA A 48 -6.798 6.225 9.337 1.00 0.00 C ATOM 618 O ALA A 48 -6.709 5.086 8.926 1.00 0.00 O ATOM 619 CB ALA A 48 -6.218 6.950 11.654 1.00 0.00 C ATOM 0 H ALA A 48 -5.516 8.956 10.296 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.826 6.201 10.233 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.454 5.958 12.040 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.446 7.407 12.273 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.114 7.570 11.675 1.00 0.00 H new ATOM 625 N MET A 49 -7.811 6.988 9.007 1.00 0.00 N ATOM 626 CA MET A 49 -8.860 6.433 8.116 1.00 0.00 C ATOM 627 C MET A 49 -8.146 5.886 6.885 1.00 0.00 C ATOM 628 O MET A 49 -8.538 4.894 6.313 1.00 0.00 O ATOM 629 CB MET A 49 -9.862 7.526 7.697 1.00 0.00 C ATOM 630 CG MET A 49 -11.262 6.936 7.373 1.00 0.00 C ATOM 631 SD MET A 49 -11.173 5.163 6.973 1.00 0.00 S ATOM 632 CE MET A 49 -12.817 5.005 6.235 1.00 0.00 C ATOM 0 H MET A 49 -7.951 7.951 9.312 1.00 0.00 H new ATOM 0 HA MET A 49 -9.424 5.655 8.630 1.00 0.00 H new ATOM 0 HB2 MET A 49 -9.954 8.260 8.497 1.00 0.00 H new ATOM 0 HB3 MET A 49 -9.479 8.053 6.823 1.00 0.00 H new ATOM 0 HG2 MET A 49 -11.925 7.083 8.226 1.00 0.00 H new ATOM 0 HG3 MET A 49 -11.699 7.476 6.533 1.00 0.00 H new ATOM 0 HE1 MET A 49 -12.974 3.975 5.914 1.00 0.00 H new ATOM 0 HE2 MET A 49 -13.574 5.275 6.971 1.00 0.00 H new ATOM 0 HE3 MET A 49 -12.895 5.669 5.374 1.00 0.00 H new ATOM 642 N ALA A 50 -7.064 6.509 6.493 1.00 0.00 N ATOM 643 CA ALA A 50 -6.306 5.983 5.331 1.00 0.00 C ATOM 644 C ALA A 50 -5.855 4.579 5.712 1.00 0.00 C ATOM 645 O ALA A 50 -5.980 3.642 4.950 1.00 0.00 O ATOM 646 CB ALA A 50 -5.089 6.868 5.047 1.00 0.00 C ATOM 0 H ALA A 50 -6.680 7.349 6.925 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.921 5.972 4.431 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.542 6.471 4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.421 7.883 4.826 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.437 6.882 5.921 1.00 0.00 H new ATOM 652 N VAL A 51 -5.359 4.428 6.913 1.00 0.00 N ATOM 653 CA VAL A 51 -4.935 3.089 7.387 1.00 0.00 C ATOM 654 C VAL A 51 -6.161 2.169 7.408 1.00 0.00 C ATOM 655 O VAL A 51 -6.290 1.260 6.605 1.00 0.00 O ATOM 656 CB VAL A 51 -4.373 3.217 8.812 1.00 0.00 C ATOM 657 CG1 VAL A 51 -3.593 1.956 9.171 1.00 0.00 C ATOM 658 CG2 VAL A 51 -3.441 4.431 8.907 1.00 0.00 C ATOM 0 H VAL A 51 -5.231 5.184 7.586 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.170 2.679 6.728 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.203 3.347 9.506 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.196 2.049 10.182 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.255 1.092 9.120 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.770 1.825 8.468 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.050 4.511 9.921 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.614 4.310 8.207 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.996 5.336 8.660 1.00 0.00 H new ATOM 668 N ALA A 52 -7.074 2.409 8.315 1.00 0.00 N ATOM 669 CA ALA A 52 -8.297 1.565 8.381 1.00 0.00 C ATOM 670 C ALA A 52 -8.833 1.368 6.963 1.00 0.00 C ATOM 671 O ALA A 52 -9.082 0.261 6.529 1.00 0.00 O ATOM 672 CB ALA A 52 -9.352 2.260 9.248 1.00 0.00 C ATOM 0 H ALA A 52 -7.022 3.153 9.011 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.061 0.596 8.822 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.248 1.641 9.296 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.958 2.407 10.254 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.602 3.227 8.812 1.00 0.00 H new ATOM 678 N ALA A 53 -8.986 2.435 6.227 1.00 0.00 N ATOM 679 CA ALA A 53 -9.474 2.305 4.829 1.00 0.00 C ATOM 680 C ALA A 53 -8.536 1.352 4.095 1.00 0.00 C ATOM 681 O ALA A 53 -8.963 0.436 3.419 1.00 0.00 O ATOM 682 CB ALA A 53 -9.464 3.672 4.142 1.00 0.00 C ATOM 0 H ALA A 53 -8.794 3.388 6.535 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.495 1.922 4.818 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.823 3.567 3.118 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.114 4.357 4.686 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.448 4.067 4.132 1.00 0.00 H new ATOM 688 N GLN A 54 -7.251 1.539 4.253 1.00 0.00 N ATOM 689 CA GLN A 54 -6.288 0.621 3.595 1.00 0.00 C ATOM 690 C GLN A 54 -6.746 -0.799 3.889 1.00 0.00 C ATOM 691 O GLN A 54 -6.611 -1.699 3.082 1.00 0.00 O ATOM 692 CB GLN A 54 -4.891 0.843 4.176 1.00 0.00 C ATOM 693 CG GLN A 54 -3.873 0.071 3.341 1.00 0.00 C ATOM 694 CD GLN A 54 -3.624 0.806 2.020 1.00 0.00 C ATOM 695 OE1 GLN A 54 -3.573 0.193 0.972 1.00 0.00 O ATOM 696 NE2 GLN A 54 -3.471 2.105 2.023 1.00 0.00 N ATOM 0 H GLN A 54 -6.833 2.286 4.808 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.250 0.801 2.521 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.649 1.906 4.176 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.858 0.508 5.213 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.939 -0.031 3.893 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.239 -0.937 3.144 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.513 2.621 2.902 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.309 2.601 1.147 1.00 0.00 H new ATOM 705 N VAL A 55 -7.310 -0.990 5.045 1.00 0.00 N ATOM 706 CA VAL A 55 -7.811 -2.335 5.426 1.00 0.00 C ATOM 707 C VAL A 55 -9.000 -2.703 4.531 1.00 0.00 C ATOM 708 O VAL A 55 -8.915 -3.598 3.722 1.00 0.00 O ATOM 709 CB VAL A 55 -8.244 -2.305 6.893 1.00 0.00 C ATOM 710 CG1 VAL A 55 -8.367 -3.734 7.423 1.00 0.00 C ATOM 711 CG2 VAL A 55 -7.194 -1.547 7.711 1.00 0.00 C ATOM 0 H VAL A 55 -7.447 -0.265 5.749 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.026 -3.081 5.297 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.209 -1.806 6.978 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.676 -3.709 8.468 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.110 -4.276 6.838 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.403 -4.237 7.341 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.497 -1.522 8.758 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.231 -2.051 7.624 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.106 -0.528 7.334 1.00 0.00 H new ATOM 721 N HIS A 56 -10.105 -2.021 4.659 1.00 0.00 N ATOM 722 CA HIS A 56 -11.282 -2.354 3.799 1.00 0.00 C ATOM 723 C HIS A 56 -10.829 -2.503 2.344 1.00 0.00 C ATOM 724 O HIS A 56 -11.325 -3.336 1.613 1.00 0.00 O ATOM 725 CB HIS A 56 -12.326 -1.236 3.899 1.00 0.00 C ATOM 726 CG HIS A 56 -13.676 -1.775 3.509 1.00 0.00 C ATOM 727 ND1 HIS A 56 -14.845 -1.355 4.125 1.00 0.00 N ATOM 728 CD2 HIS A 56 -14.060 -2.702 2.571 1.00 0.00 C ATOM 729 CE1 HIS A 56 -15.866 -2.022 3.556 1.00 0.00 C ATOM 730 NE2 HIS A 56 -15.443 -2.857 2.603 1.00 0.00 N ATOM 0 H HIS A 56 -10.246 -1.253 5.315 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.723 -3.291 4.139 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -12.359 -0.844 4.916 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.051 -0.407 3.247 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.390 -3.231 1.909 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -16.902 -1.897 3.836 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -16.011 -3.475 2.024 1.00 0.00 H new ATOM 738 N ARG A 57 -9.887 -1.712 1.912 1.00 0.00 N ATOM 739 CA ARG A 57 -9.415 -1.839 0.506 1.00 0.00 C ATOM 740 C ARG A 57 -8.599 -3.124 0.377 1.00 0.00 C ATOM 741 O ARG A 57 -8.736 -3.869 -0.574 1.00 0.00 O ATOM 742 CB ARG A 57 -8.543 -0.636 0.140 1.00 0.00 C ATOM 743 CG ARG A 57 -8.890 -0.174 -1.278 1.00 0.00 C ATOM 744 CD ARG A 57 -8.033 1.035 -1.651 1.00 0.00 C ATOM 745 NE ARG A 57 -8.682 1.777 -2.768 1.00 0.00 N ATOM 746 CZ ARG A 57 -8.573 3.076 -2.841 1.00 0.00 C ATOM 747 NH1 ARG A 57 -7.392 3.633 -2.841 1.00 0.00 N ATOM 748 NH2 ARG A 57 -9.644 3.819 -2.912 1.00 0.00 N ATOM 0 H ARG A 57 -9.427 -0.989 2.466 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.270 -1.872 -0.169 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.706 0.175 0.849 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.488 -0.905 0.200 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.720 -0.985 -1.987 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.947 0.085 -1.338 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.912 1.689 -0.787 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.036 0.710 -1.947 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.212 1.270 -3.477 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.555 3.053 -2.784 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.307 4.648 -2.898 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.567 3.385 -2.910 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.558 4.834 -2.969 1.00 0.00 H new ATOM 762 N GLU A 58 -7.759 -3.393 1.338 1.00 0.00 N ATOM 763 CA GLU A 58 -6.937 -4.633 1.292 1.00 0.00 C ATOM 764 C GLU A 58 -7.842 -5.838 1.550 1.00 0.00 C ATOM 765 O GLU A 58 -7.855 -6.796 0.802 1.00 0.00 O ATOM 766 CB GLU A 58 -5.860 -4.555 2.375 1.00 0.00 C ATOM 767 CG GLU A 58 -4.692 -3.709 1.868 1.00 0.00 C ATOM 768 CD GLU A 58 -4.048 -4.401 0.664 1.00 0.00 C ATOM 769 OE1 GLU A 58 -3.582 -5.517 0.825 1.00 0.00 O ATOM 770 OE2 GLU A 58 -4.034 -3.802 -0.400 1.00 0.00 O ATOM 0 H GLU A 58 -7.607 -2.804 2.157 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.464 -4.736 0.316 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.273 -4.117 3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.514 -5.556 2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.043 -2.716 1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.956 -3.574 2.660 1.00 0.00 H new ATOM 777 N TYR A 59 -8.613 -5.783 2.600 1.00 0.00 N ATOM 778 CA TYR A 59 -9.542 -6.902 2.919 1.00 0.00 C ATOM 779 C TYR A 59 -10.976 -6.384 2.848 1.00 0.00 C ATOM 780 O TYR A 59 -11.223 -5.201 2.954 1.00 0.00 O ATOM 781 CB TYR A 59 -9.289 -7.416 4.342 1.00 0.00 C ATOM 782 CG TYR A 59 -7.886 -7.078 4.785 1.00 0.00 C ATOM 783 CD1 TYR A 59 -7.584 -5.785 5.224 1.00 0.00 C ATOM 784 CD2 TYR A 59 -6.892 -8.062 4.769 1.00 0.00 C ATOM 785 CE1 TYR A 59 -6.288 -5.474 5.647 1.00 0.00 C ATOM 786 CE2 TYR A 59 -5.596 -7.753 5.192 1.00 0.00 C ATOM 787 CZ TYR A 59 -5.293 -6.459 5.631 1.00 0.00 C ATOM 788 OH TYR A 59 -4.014 -6.153 6.049 1.00 0.00 O ATOM 0 H TYR A 59 -8.639 -5.003 3.257 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.381 -7.710 2.206 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.010 -6.973 5.029 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.438 -8.495 4.377 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.352 -5.026 5.236 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.126 -9.060 4.430 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.055 -4.475 5.986 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.829 -8.513 5.180 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.052 -5.448 6.729 1.00 0.00 H new ATOM 798 N GLN A 60 -11.924 -7.259 2.703 1.00 0.00 N ATOM 799 CA GLN A 60 -13.343 -6.820 2.659 1.00 0.00 C ATOM 800 C GLN A 60 -13.907 -6.912 4.074 1.00 0.00 C ATOM 801 O GLN A 60 -15.048 -7.272 4.287 1.00 0.00 O ATOM 802 CB GLN A 60 -14.140 -7.729 1.719 1.00 0.00 C ATOM 803 CG GLN A 60 -14.998 -6.870 0.786 1.00 0.00 C ATOM 804 CD GLN A 60 -15.762 -7.775 -0.181 1.00 0.00 C ATOM 805 OE1 GLN A 60 -16.892 -8.142 0.076 1.00 0.00 O ATOM 806 NE2 GLN A 60 -15.187 -8.154 -1.289 1.00 0.00 N ATOM 0 H GLN A 60 -11.778 -8.264 2.612 1.00 0.00 H new ATOM 0 HA GLN A 60 -13.413 -5.797 2.289 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -13.462 -8.352 1.136 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -14.774 -8.402 2.297 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -15.697 -6.269 1.368 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -14.367 -6.176 0.230 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.239 -7.845 -1.503 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.686 -8.759 -1.941 1.00 0.00 H new ATOM 815 N VAL A 61 -13.093 -6.593 5.041 1.00 0.00 N ATOM 816 CA VAL A 61 -13.532 -6.657 6.459 1.00 0.00 C ATOM 817 C VAL A 61 -14.033 -5.277 6.893 1.00 0.00 C ATOM 818 O VAL A 61 -13.538 -4.260 6.448 1.00 0.00 O ATOM 819 CB VAL A 61 -12.336 -7.081 7.318 1.00 0.00 C ATOM 820 CG1 VAL A 61 -11.161 -6.126 7.081 1.00 0.00 C ATOM 821 CG2 VAL A 61 -12.721 -7.053 8.795 1.00 0.00 C ATOM 0 H VAL A 61 -12.130 -6.287 4.905 1.00 0.00 H new ATOM 0 HA VAL A 61 -14.341 -7.378 6.578 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.043 -8.093 7.040 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -10.314 -6.432 7.694 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -10.876 -6.153 6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -11.456 -5.112 7.351 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -11.866 -7.356 9.400 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -13.023 -6.043 9.073 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.549 -7.740 8.968 1.00 0.00 H new ATOM 831 N GLU A 62 -15.025 -5.230 7.740 1.00 0.00 N ATOM 832 CA GLU A 62 -15.565 -3.911 8.176 1.00 0.00 C ATOM 833 C GLU A 62 -14.715 -3.332 9.309 1.00 0.00 C ATOM 834 O GLU A 62 -14.694 -3.844 10.411 1.00 0.00 O ATOM 835 CB GLU A 62 -17.009 -4.080 8.659 1.00 0.00 C ATOM 836 CG GLU A 62 -17.818 -2.836 8.284 1.00 0.00 C ATOM 837 CD GLU A 62 -19.314 -3.140 8.398 1.00 0.00 C ATOM 838 OE1 GLU A 62 -19.741 -4.138 7.842 1.00 0.00 O ATOM 839 OE2 GLU A 62 -20.008 -2.367 9.037 1.00 0.00 O ATOM 0 H GLU A 62 -15.483 -6.045 8.148 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.537 -3.226 7.329 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.454 -4.967 8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.028 -4.228 9.739 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.554 -2.007 8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.576 -2.526 7.267 1.00 0.00 H new ATOM 846 N LEU A 63 -14.028 -2.256 9.044 1.00 0.00 N ATOM 847 CA LEU A 63 -13.188 -1.614 10.094 1.00 0.00 C ATOM 848 C LEU A 63 -13.469 -0.106 10.073 1.00 0.00 C ATOM 849 O LEU A 63 -12.891 0.617 9.286 1.00 0.00 O ATOM 850 CB LEU A 63 -11.708 -1.876 9.795 1.00 0.00 C ATOM 851 CG LEU A 63 -10.853 -1.535 11.018 1.00 0.00 C ATOM 852 CD1 LEU A 63 -11.392 -2.252 12.256 1.00 0.00 C ATOM 853 CD2 LEU A 63 -9.418 -1.992 10.771 1.00 0.00 C ATOM 0 H LEU A 63 -14.012 -1.790 8.137 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.423 -2.024 11.076 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.564 -2.921 9.522 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.390 -1.277 8.942 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.885 -0.458 11.182 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.775 -2.001 13.119 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.419 -1.937 12.440 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.366 -3.329 12.092 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.805 -1.751 11.639 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.403 -3.069 10.603 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.020 -1.483 9.893 1.00 0.00 H new ATOM 865 N PRO A 64 -14.374 0.316 10.920 1.00 0.00 N ATOM 866 CA PRO A 64 -14.790 1.727 11.006 1.00 0.00 C ATOM 867 C PRO A 64 -13.791 2.537 11.830 1.00 0.00 C ATOM 868 O PRO A 64 -12.990 1.988 12.560 1.00 0.00 O ATOM 869 CB PRO A 64 -16.143 1.654 11.722 1.00 0.00 C ATOM 870 CG PRO A 64 -16.154 0.318 12.505 1.00 0.00 C ATOM 871 CD PRO A 64 -15.062 -0.573 11.877 1.00 0.00 C ATOM 0 HA PRO A 64 -14.845 2.214 10.033 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.271 2.500 12.397 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -16.964 1.691 11.006 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.954 0.488 13.563 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.131 -0.162 12.438 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.374 -0.952 12.633 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -15.494 -1.439 11.376 1.00 0.00 H new ATOM 879 N LEU A 65 -13.835 3.839 11.730 1.00 0.00 N ATOM 880 CA LEU A 65 -12.887 4.659 12.527 1.00 0.00 C ATOM 881 C LEU A 65 -13.208 4.464 14.007 1.00 0.00 C ATOM 882 O LEU A 65 -12.321 4.359 14.831 1.00 0.00 O ATOM 883 CB LEU A 65 -13.008 6.142 12.156 1.00 0.00 C ATOM 884 CG LEU A 65 -12.776 6.362 10.648 1.00 0.00 C ATOM 885 CD1 LEU A 65 -12.208 7.763 10.434 1.00 0.00 C ATOM 886 CD2 LEU A 65 -11.778 5.343 10.078 1.00 0.00 C ATOM 0 H LEU A 65 -14.480 4.362 11.137 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.865 4.342 12.317 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -13.997 6.509 12.431 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.283 6.722 12.726 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.731 6.240 10.136 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -12.040 7.929 9.370 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.914 8.503 10.810 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.263 7.858 10.970 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.638 5.527 9.013 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.822 5.443 10.592 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.165 4.334 10.224 1.00 0.00 H new ATOM 898 N LYS A 66 -14.466 4.388 14.354 1.00 0.00 N ATOM 899 CA LYS A 66 -14.817 4.170 15.782 1.00 0.00 C ATOM 900 C LYS A 66 -13.968 3.010 16.296 1.00 0.00 C ATOM 901 O LYS A 66 -13.258 3.127 17.274 1.00 0.00 O ATOM 902 CB LYS A 66 -16.305 3.825 15.906 1.00 0.00 C ATOM 903 CG LYS A 66 -16.916 4.604 17.074 1.00 0.00 C ATOM 904 CD LYS A 66 -18.429 4.722 16.877 1.00 0.00 C ATOM 905 CE LYS A 66 -19.144 3.769 17.837 1.00 0.00 C ATOM 906 NZ LYS A 66 -20.444 4.368 18.255 1.00 0.00 N ATOM 0 H LYS A 66 -15.257 4.467 13.715 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.625 5.071 16.365 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.824 4.071 14.980 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.428 2.754 16.066 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.700 4.097 18.015 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.469 5.596 17.136 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.751 5.747 17.058 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.692 4.483 15.847 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.313 2.807 17.353 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.520 3.580 18.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.931 3.721 18.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.271 5.275 18.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.039 4.526 17.417 1.00 0.00 H new ATOM 920 N VAL A 67 -14.011 1.897 15.612 1.00 0.00 N ATOM 921 CA VAL A 67 -13.179 0.734 16.025 1.00 0.00 C ATOM 922 C VAL A 67 -11.724 1.207 16.075 1.00 0.00 C ATOM 923 O VAL A 67 -11.010 0.958 17.027 1.00 0.00 O ATOM 924 CB VAL A 67 -13.364 -0.399 14.994 1.00 0.00 C ATOM 925 CG1 VAL A 67 -12.048 -1.147 14.745 1.00 0.00 C ATOM 926 CG2 VAL A 67 -14.406 -1.391 15.514 1.00 0.00 C ATOM 0 H VAL A 67 -14.588 1.745 14.785 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.470 0.352 17.004 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.693 0.047 14.055 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.212 -1.939 14.014 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.300 -0.451 14.364 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.695 -1.583 15.679 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.539 -2.193 14.788 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.067 -1.811 16.461 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -15.355 -0.876 15.664 1.00 0.00 H new ATOM 936 N LEU A 68 -11.293 1.913 15.064 1.00 0.00 N ATOM 937 CA LEU A 68 -9.899 2.431 15.060 1.00 0.00 C ATOM 938 C LEU A 68 -9.718 3.303 16.302 1.00 0.00 C ATOM 939 O LEU A 68 -8.623 3.504 16.775 1.00 0.00 O ATOM 940 CB LEU A 68 -9.666 3.263 13.792 1.00 0.00 C ATOM 941 CG LEU A 68 -8.185 3.234 13.401 1.00 0.00 C ATOM 942 CD1 LEU A 68 -8.039 2.560 12.039 1.00 0.00 C ATOM 943 CD2 LEU A 68 -7.646 4.662 13.296 1.00 0.00 C ATOM 0 H LEU A 68 -11.848 2.152 14.242 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.182 1.610 15.072 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.272 2.871 12.975 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.985 4.292 13.960 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.627 2.685 14.160 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.987 2.537 11.756 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.423 1.541 12.094 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.603 3.120 11.293 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.593 4.634 13.018 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.207 5.208 12.538 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.754 5.163 14.258 1.00 0.00 H new ATOM 955 N PHE A 69 -10.795 3.804 16.847 1.00 0.00 N ATOM 956 CA PHE A 69 -10.687 4.641 18.076 1.00 0.00 C ATOM 957 C PHE A 69 -10.689 3.718 19.293 1.00 0.00 C ATOM 958 O PHE A 69 -9.981 3.938 20.255 1.00 0.00 O ATOM 959 CB PHE A 69 -11.864 5.610 18.157 1.00 0.00 C ATOM 960 CG PHE A 69 -11.486 6.911 17.486 1.00 0.00 C ATOM 961 CD1 PHE A 69 -10.889 6.893 16.221 1.00 0.00 C ATOM 962 CD2 PHE A 69 -11.731 8.132 18.128 1.00 0.00 C ATOM 963 CE1 PHE A 69 -10.533 8.095 15.597 1.00 0.00 C ATOM 964 CE2 PHE A 69 -11.374 9.334 17.504 1.00 0.00 C ATOM 965 CZ PHE A 69 -10.776 9.315 16.237 1.00 0.00 C ATOM 0 H PHE A 69 -11.743 3.670 16.494 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.764 5.221 18.048 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -12.740 5.178 17.672 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -12.132 5.789 19.198 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.703 5.952 15.725 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -12.195 8.146 19.103 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.071 8.080 14.621 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -11.560 10.276 17.999 1.00 0.00 H new ATOM 0 HZ PHE A 69 -10.503 10.242 15.755 1.00 0.00 H new ATOM 975 N ALA A 70 -11.469 2.670 19.246 1.00 0.00 N ATOM 976 CA ALA A 70 -11.503 1.711 20.385 1.00 0.00 C ATOM 977 C ALA A 70 -10.174 0.966 20.416 1.00 0.00 C ATOM 978 O ALA A 70 -9.690 0.557 21.452 1.00 0.00 O ATOM 979 CB ALA A 70 -12.625 0.689 20.169 1.00 0.00 C ATOM 0 H ALA A 70 -12.084 2.438 18.466 1.00 0.00 H new ATOM 0 HA ALA A 70 -11.675 2.250 21.317 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.646 -0.010 21.005 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -13.582 1.207 20.105 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.446 0.143 19.243 1.00 0.00 H new ATOM 985 N GLN A 71 -9.601 0.773 19.264 1.00 0.00 N ATOM 986 CA GLN A 71 -8.315 0.035 19.161 1.00 0.00 C ATOM 987 C GLN A 71 -7.473 0.718 18.081 1.00 0.00 C ATOM 988 O GLN A 71 -7.248 0.162 17.023 1.00 0.00 O ATOM 989 CB GLN A 71 -8.589 -1.430 18.769 1.00 0.00 C ATOM 990 CG GLN A 71 -10.106 -1.679 18.689 1.00 0.00 C ATOM 991 CD GLN A 71 -10.420 -3.149 18.943 1.00 0.00 C ATOM 992 OE1 GLN A 71 -9.570 -4.006 18.796 1.00 0.00 O ATOM 993 NE2 GLN A 71 -11.625 -3.475 19.326 1.00 0.00 N ATOM 0 H GLN A 71 -9.976 1.101 18.374 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.787 0.043 20.115 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.125 -1.651 17.808 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.140 -2.101 19.501 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.621 -1.059 19.422 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.477 -1.386 17.707 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.334 -2.752 19.448 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.857 -4.452 19.503 1.00 0.00 H new ATOM 1002 N PRO A 72 -7.064 1.925 18.378 1.00 0.00 N ATOM 1003 CA PRO A 72 -6.276 2.753 17.451 1.00 0.00 C ATOM 1004 C PRO A 72 -4.815 2.319 17.401 1.00 0.00 C ATOM 1005 O PRO A 72 -3.930 3.086 17.725 1.00 0.00 O ATOM 1006 CB PRO A 72 -6.387 4.164 18.044 1.00 0.00 C ATOM 1007 CG PRO A 72 -6.747 3.986 19.535 1.00 0.00 C ATOM 1008 CD PRO A 72 -7.346 2.574 19.676 1.00 0.00 C ATOM 0 HA PRO A 72 -6.641 2.678 16.427 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.448 4.706 17.934 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.152 4.743 17.527 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.863 4.097 20.163 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.462 4.744 19.854 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.888 2.028 20.501 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.417 2.614 19.876 1.00 0.00 H new ATOM 1016 N THR A 73 -4.533 1.115 16.994 1.00 0.00 N ATOM 1017 CA THR A 73 -3.107 0.710 16.938 1.00 0.00 C ATOM 1018 C THR A 73 -2.858 -0.375 15.885 1.00 0.00 C ATOM 1019 O THR A 73 -3.769 -0.868 15.255 1.00 0.00 O ATOM 1020 CB THR A 73 -2.683 0.205 18.300 1.00 0.00 C ATOM 1021 OG1 THR A 73 -1.368 -0.286 18.193 1.00 0.00 O ATOM 1022 CG2 THR A 73 -3.628 -0.901 18.753 1.00 0.00 C ATOM 0 H THR A 73 -5.211 0.410 16.704 1.00 0.00 H new ATOM 0 HA THR A 73 -2.519 1.582 16.654 1.00 0.00 H new ATOM 0 HB THR A 73 -2.720 1.008 19.036 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.779 0.425 17.865 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.321 -1.263 19.734 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.644 -0.510 18.812 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.597 -1.722 18.037 1.00 0.00 H new ATOM 1030 N ILE A 74 -1.607 -0.744 15.704 1.00 0.00 N ATOM 1031 CA ILE A 74 -1.251 -1.791 14.695 1.00 0.00 C ATOM 1032 C ILE A 74 -1.662 -3.174 15.195 1.00 0.00 C ATOM 1033 O ILE A 74 -2.565 -3.786 14.660 1.00 0.00 O ATOM 1034 CB ILE A 74 0.262 -1.798 14.438 1.00 0.00 C ATOM 1035 CG1 ILE A 74 0.858 -0.420 14.764 1.00 0.00 C ATOM 1036 CG2 ILE A 74 0.511 -2.144 12.966 1.00 0.00 C ATOM 1037 CD1 ILE A 74 2.187 -0.226 14.025 1.00 0.00 C ATOM 0 H ILE A 74 -0.814 -0.359 16.218 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.781 -1.558 13.772 1.00 0.00 H new ATOM 0 HB ILE A 74 0.741 -2.541 15.076 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.157 0.364 14.477 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.015 -0.329 15.839 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.583 -2.152 12.771 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.095 -3.128 12.748 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.032 -1.399 12.331 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.597 0.755 14.266 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.891 -0.999 14.333 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.019 -0.295 12.950 1.00 0.00 H new ATOM 1049 N LYS A 75 -0.998 -3.673 16.207 1.00 0.00 N ATOM 1050 CA LYS A 75 -1.341 -5.023 16.736 1.00 0.00 C ATOM 1051 C LYS A 75 -2.858 -5.189 16.739 1.00 0.00 C ATOM 1052 O LYS A 75 -3.398 -6.100 16.146 1.00 0.00 O ATOM 1053 CB LYS A 75 -0.820 -5.159 18.169 1.00 0.00 C ATOM 1054 CG LYS A 75 -0.486 -6.625 18.461 1.00 0.00 C ATOM 1055 CD LYS A 75 -1.680 -7.300 19.137 1.00 0.00 C ATOM 1056 CE LYS A 75 -1.284 -8.713 19.566 1.00 0.00 C ATOM 1057 NZ LYS A 75 -2.420 -9.353 20.285 1.00 0.00 N ATOM 0 H LYS A 75 -0.233 -3.201 16.689 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.884 -5.787 16.107 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.067 -4.540 18.304 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.569 -4.799 18.874 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.239 -7.143 17.534 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.392 -6.687 19.104 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.998 -6.720 20.003 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.527 -7.339 18.452 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.012 -9.306 18.693 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.407 -8.676 20.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.107 -10.257 20.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.748 -8.724 21.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.200 -9.525 19.619 1.00 0.00 H new ATOM 1071 N ALA A 76 -3.546 -4.304 17.396 1.00 0.00 N ATOM 1072 CA ALA A 76 -5.027 -4.394 17.442 1.00 0.00 C ATOM 1073 C ALA A 76 -5.596 -4.363 16.018 1.00 0.00 C ATOM 1074 O ALA A 76 -6.185 -5.322 15.567 1.00 0.00 O ATOM 1075 CB ALA A 76 -5.572 -3.218 18.247 1.00 0.00 C ATOM 0 H ALA A 76 -3.144 -3.518 17.906 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.323 -5.330 17.916 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.660 -3.277 18.286 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.170 -3.253 19.260 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.276 -2.283 17.771 1.00 0.00 H new ATOM 1081 N LEU A 77 -5.428 -3.280 15.299 1.00 0.00 N ATOM 1082 CA LEU A 77 -5.973 -3.233 13.906 1.00 0.00 C ATOM 1083 C LEU A 77 -5.606 -4.524 13.187 1.00 0.00 C ATOM 1084 O LEU A 77 -6.460 -5.295 12.796 1.00 0.00 O ATOM 1085 CB LEU A 77 -5.361 -2.054 13.136 1.00 0.00 C ATOM 1086 CG LEU A 77 -6.286 -0.826 13.160 1.00 0.00 C ATOM 1087 CD1 LEU A 77 -7.144 -0.810 11.900 1.00 0.00 C ATOM 1088 CD2 LEU A 77 -7.194 -0.844 14.391 1.00 0.00 C ATOM 0 H LEU A 77 -4.944 -2.438 15.610 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.055 -3.113 13.952 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.397 -1.794 13.573 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.174 -2.350 12.104 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.665 0.069 13.202 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.800 0.061 11.917 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.500 -0.762 11.022 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.747 -1.717 11.859 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.837 0.036 14.382 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.810 -1.743 14.376 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.583 -0.838 15.294 1.00 0.00 H new ATOM 1100 N ALA A 78 -4.337 -4.763 13.012 1.00 0.00 N ATOM 1101 CA ALA A 78 -3.909 -6.006 12.322 1.00 0.00 C ATOM 1102 C ALA A 78 -4.720 -7.171 12.878 1.00 0.00 C ATOM 1103 O ALA A 78 -5.284 -7.948 12.146 1.00 0.00 O ATOM 1104 CB ALA A 78 -2.418 -6.244 12.572 1.00 0.00 C ATOM 0 H ALA A 78 -3.580 -4.151 13.317 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.075 -5.917 11.248 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.105 -7.157 12.065 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.845 -5.400 12.187 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.240 -6.345 13.643 1.00 0.00 H new ATOM 1110 N GLN A 79 -4.801 -7.284 14.171 1.00 0.00 N ATOM 1111 CA GLN A 79 -5.593 -8.393 14.770 1.00 0.00 C ATOM 1112 C GLN A 79 -7.058 -8.260 14.345 1.00 0.00 C ATOM 1113 O GLN A 79 -7.694 -9.224 13.979 1.00 0.00 O ATOM 1114 CB GLN A 79 -5.507 -8.308 16.292 1.00 0.00 C ATOM 1115 CG GLN A 79 -4.131 -8.768 16.775 1.00 0.00 C ATOM 1116 CD GLN A 79 -3.924 -10.241 16.416 1.00 0.00 C ATOM 1117 OE1 GLN A 79 -4.862 -10.930 16.071 1.00 0.00 O ATOM 1118 NE2 GLN A 79 -2.728 -10.755 16.490 1.00 0.00 N ATOM 0 H GLN A 79 -4.354 -6.658 14.840 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.196 -9.349 14.429 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.689 -7.283 16.616 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.283 -8.927 16.742 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.352 -8.159 16.317 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.049 -8.632 17.853 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.941 -10.175 16.780 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.580 -11.737 16.258 1.00 0.00 H new ATOM 1127 N TYR A 80 -7.605 -7.075 14.394 1.00 0.00 N ATOM 1128 CA TYR A 80 -9.029 -6.905 13.989 1.00 0.00 C ATOM 1129 C TYR A 80 -9.221 -7.495 12.591 1.00 0.00 C ATOM 1130 O TYR A 80 -10.232 -8.094 12.287 1.00 0.00 O ATOM 1131 CB TYR A 80 -9.393 -5.421 13.972 1.00 0.00 C ATOM 1132 CG TYR A 80 -10.780 -5.245 14.541 1.00 0.00 C ATOM 1133 CD1 TYR A 80 -10.968 -5.223 15.928 1.00 0.00 C ATOM 1134 CD2 TYR A 80 -11.879 -5.106 13.683 1.00 0.00 C ATOM 1135 CE1 TYR A 80 -12.253 -5.063 16.459 1.00 0.00 C ATOM 1136 CE2 TYR A 80 -13.165 -4.947 14.214 1.00 0.00 C ATOM 1137 CZ TYR A 80 -13.352 -4.924 15.602 1.00 0.00 C ATOM 1138 OH TYR A 80 -14.619 -4.764 16.126 1.00 0.00 O ATOM 0 H TYR A 80 -7.131 -6.223 14.695 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.674 -7.419 14.701 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.672 -4.850 14.557 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -9.353 -5.036 12.953 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -10.121 -5.330 16.589 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -11.734 -5.121 12.613 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -12.397 -5.047 17.529 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -14.013 -4.842 13.553 1.00 0.00 H new ATOM 0 HH TYR A 80 -15.267 -4.681 15.396 1.00 0.00 H new ATOM 1148 N VAL A 81 -8.244 -7.334 11.746 1.00 0.00 N ATOM 1149 CA VAL A 81 -8.342 -7.894 10.363 1.00 0.00 C ATOM 1150 C VAL A 81 -7.817 -9.321 10.381 1.00 0.00 C ATOM 1151 O VAL A 81 -8.529 -10.280 10.159 1.00 0.00 O ATOM 1152 CB VAL A 81 -7.462 -7.089 9.380 1.00 0.00 C ATOM 1153 CG1 VAL A 81 -8.329 -6.561 8.246 1.00 0.00 C ATOM 1154 CG2 VAL A 81 -6.784 -5.915 10.095 1.00 0.00 C ATOM 0 H VAL A 81 -7.377 -6.837 11.950 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.383 -7.848 10.044 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.688 -7.746 8.983 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.712 -5.992 7.550 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.791 -7.397 7.721 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.106 -5.914 8.653 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.170 -5.362 9.384 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.544 -5.253 10.509 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.155 -6.294 10.901 1.00 0.00 H new ATOM 1164 N ALA A 82 -6.555 -9.435 10.651 1.00 0.00 N ATOM 1165 CA ALA A 82 -5.880 -10.749 10.708 1.00 0.00 C ATOM 1166 C ALA A 82 -6.682 -11.723 11.578 1.00 0.00 C ATOM 1167 O ALA A 82 -6.534 -12.925 11.477 1.00 0.00 O ATOM 1168 CB ALA A 82 -4.500 -10.514 11.314 1.00 0.00 C ATOM 0 H ALA A 82 -5.943 -8.642 10.841 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.799 -11.187 9.713 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.964 -11.461 11.376 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.940 -9.820 10.687 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.608 -10.093 12.313 1.00 0.00 H new ATOM 1174 N THR A 83 -7.525 -11.215 12.433 1.00 0.00 N ATOM 1175 CA THR A 83 -8.328 -12.112 13.311 1.00 0.00 C ATOM 1176 C THR A 83 -9.734 -11.533 13.485 1.00 0.00 C ATOM 1177 O THR A 83 -10.649 -12.308 13.715 1.00 0.00 O ATOM 1178 CB THR A 83 -7.647 -12.218 14.676 1.00 0.00 C ATOM 1179 OG1 THR A 83 -6.261 -11.949 14.527 1.00 0.00 O ATOM 1180 CG2 THR A 83 -7.836 -13.626 15.241 1.00 0.00 C ATOM 0 H THR A 83 -7.693 -10.217 12.562 1.00 0.00 H new ATOM 0 HA THR A 83 -8.399 -13.101 12.858 1.00 0.00 H new ATOM 0 HB THR A 83 -8.091 -11.496 15.361 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.935 -11.467 15.315 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.349 -13.696 16.214 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.900 -13.834 15.352 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.394 -14.354 14.560 1.00 0.00 H new