USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 684 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 46 GLN :FLIP amide:sc= -4.94! C(o=-7!,f=-4.3!) USER MOD Set 1.2: A 76 TYR OH : rot -51:sc= 0.668 USER MOD Single : A 9 SER OG : rot -62:sc= 0.146 USER MOD Single : A 19 THR OG1 : rot -103:sc= 0.421 USER MOD Single : A 26 HIS : no HE2:sc= -9.9! C(o=-9.9!,f=-13!) USER MOD Single : A 35 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0413) USER MOD Single : A 40 TYR OH : rot 90:sc= -5.48! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00289 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 79:sc= -2.26! USER MOD Single : A 92 SER OG : rot -170:sc= -1.44 USER MOD Single : A 93 ASN : amide:sc= -1.54 K(o=-1.5,f=-6.8!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -2.23! C(o=-2.2!,f=-5.5!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 5.344 16.917 -5.274 1.00 0.00 N ATOM 67 CA LEU A 8 4.603 16.085 -4.341 1.00 0.00 C ATOM 68 C LEU A 8 5.522 14.987 -3.802 1.00 0.00 C ATOM 69 O LEU A 8 6.132 14.249 -4.574 1.00 0.00 O ATOM 70 CB LEU A 8 3.327 15.553 -4.995 1.00 0.00 C ATOM 71 CG LEU A 8 2.533 14.528 -4.182 1.00 0.00 C ATOM 72 CD1 LEU A 8 2.004 15.147 -2.887 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.414 13.910 -5.022 1.00 0.00 C ATOM 0 HA LEU A 8 4.273 16.673 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.674 16.399 -5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.593 15.101 -5.951 1.00 0.00 H new ATOM 0 HG LEU A 8 3.207 13.719 -3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.443 14.398 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.841 15.499 -2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.350 15.986 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.865 13.185 -4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.734 14.694 -5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.844 13.410 -5.890 1.00 0.00 H new ATOM 85 N SER A 9 5.594 14.915 -2.481 1.00 0.00 N ATOM 86 CA SER A 9 6.428 13.919 -1.830 1.00 0.00 C ATOM 87 C SER A 9 5.651 12.612 -1.664 1.00 0.00 C ATOM 88 O SER A 9 4.459 12.629 -1.361 1.00 0.00 O ATOM 89 CB SER A 9 6.923 14.419 -0.471 1.00 0.00 C ATOM 90 OG SER A 9 5.884 14.430 0.504 1.00 0.00 O ATOM 0 H SER A 9 5.088 15.530 -1.844 1.00 0.00 H new ATOM 0 HA SER A 9 7.299 13.738 -2.460 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.738 13.783 -0.125 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.328 15.425 -0.580 1.00 0.00 H new ATOM 0 HG SER A 9 5.177 15.047 0.222 1.00 0.00 H new ATOM 96 N PRO A 10 6.376 11.481 -1.876 1.00 0.00 N ATOM 97 CA PRO A 10 5.767 10.168 -1.754 1.00 0.00 C ATOM 98 C PRO A 10 5.554 9.797 -0.284 1.00 0.00 C ATOM 99 O PRO A 10 5.994 10.517 0.611 1.00 0.00 O ATOM 100 CB PRO A 10 6.718 9.225 -2.472 1.00 0.00 C ATOM 101 CG PRO A 10 8.044 9.961 -2.566 1.00 0.00 C ATOM 102 CD PRO A 10 7.789 11.423 -2.238 1.00 0.00 C ATOM 0 HA PRO A 10 4.772 10.123 -2.197 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.829 8.290 -1.923 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.342 8.971 -3.463 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.768 9.534 -1.871 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.466 9.862 -3.566 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.422 11.761 -1.418 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.005 12.064 -3.093 1.00 0.00 H new ATOM 110 N PRO A 11 4.862 8.645 -0.076 1.00 0.00 N ATOM 111 CA PRO A 11 4.586 8.171 1.269 1.00 0.00 C ATOM 112 C PRO A 11 5.841 7.573 1.908 1.00 0.00 C ATOM 113 O PRO A 11 6.863 7.409 1.243 1.00 0.00 O ATOM 114 CB PRO A 11 3.463 7.159 1.106 1.00 0.00 C ATOM 115 CG PRO A 11 3.469 6.762 -0.361 1.00 0.00 C ATOM 116 CD PRO A 11 4.326 7.767 -1.112 1.00 0.00 C ATOM 0 HA PRO A 11 4.288 8.973 1.945 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.623 6.291 1.746 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.503 7.591 1.390 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.867 5.755 -0.482 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.454 6.753 -0.758 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.125 7.272 -1.664 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.736 8.326 -1.838 1.00 0.00 H new ATOM 124 N ARG A 12 5.723 7.262 3.191 1.00 0.00 N ATOM 125 CA ARG A 12 6.835 6.686 3.927 1.00 0.00 C ATOM 126 C ARG A 12 6.319 5.752 5.023 1.00 0.00 C ATOM 127 O ARG A 12 5.112 5.645 5.235 1.00 0.00 O ATOM 128 CB ARG A 12 7.700 7.777 4.561 1.00 0.00 C ATOM 129 CG ARG A 12 7.400 9.144 3.942 1.00 0.00 C ATOM 130 CD ARG A 12 8.137 10.258 4.689 1.00 0.00 C ATOM 131 NE ARG A 12 7.580 10.407 6.052 1.00 0.00 N ATOM 132 CZ ARG A 12 8.018 9.728 7.121 1.00 0.00 C ATOM 133 NH1 ARG A 12 9.021 8.849 6.991 1.00 0.00 N ATOM 134 NH2 ARG A 12 7.454 9.928 8.320 1.00 0.00 N ATOM 0 H ARG A 12 4.874 7.398 3.739 1.00 0.00 H new ATOM 0 HA ARG A 12 7.443 6.121 3.221 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.518 7.812 5.635 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.754 7.535 4.424 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.698 9.146 2.893 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.327 9.332 3.969 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.201 10.028 4.745 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.043 11.197 4.144 1.00 0.00 H new ATOM 0 HE ARG A 12 6.815 11.068 6.186 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.451 8.697 6.079 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.355 8.332 7.804 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.691 10.597 8.419 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.788 9.411 9.133 1.00 0.00 H new ATOM 148 N GLY A 13 7.259 5.100 5.691 1.00 0.00 N ATOM 149 CA GLY A 13 6.914 4.179 6.761 1.00 0.00 C ATOM 150 C GLY A 13 5.867 3.165 6.295 1.00 0.00 C ATOM 151 O GLY A 13 4.913 2.877 7.016 1.00 0.00 O ATOM 0 H GLY A 13 8.259 5.191 5.512 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.809 3.655 7.097 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.531 4.736 7.616 1.00 0.00 H new ATOM 155 N LEU A 14 6.080 2.652 5.092 1.00 0.00 N ATOM 156 CA LEU A 14 5.166 1.677 4.521 1.00 0.00 C ATOM 157 C LEU A 14 5.561 0.277 4.995 1.00 0.00 C ATOM 158 O LEU A 14 6.668 -0.186 4.723 1.00 0.00 O ATOM 159 CB LEU A 14 5.114 1.819 2.999 1.00 0.00 C ATOM 160 CG LEU A 14 3.752 1.567 2.349 1.00 0.00 C ATOM 161 CD1 LEU A 14 3.912 0.899 0.981 1.00 0.00 C ATOM 162 CD2 LEU A 14 2.842 0.760 3.277 1.00 0.00 C ATOM 0 H LEU A 14 6.872 2.893 4.497 1.00 0.00 H new ATOM 0 HA LEU A 14 4.149 1.857 4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.439 2.826 2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.836 1.127 2.564 1.00 0.00 H new ATOM 0 HG LEU A 14 3.270 2.530 2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.929 0.731 0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.497 1.545 0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.424 -0.056 1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.881 0.595 2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.307 -0.201 3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.689 1.310 4.205 1.00 0.00 H new ATOM 174 N VAL A 15 4.634 -0.359 5.697 1.00 0.00 N ATOM 175 CA VAL A 15 4.871 -1.697 6.211 1.00 0.00 C ATOM 176 C VAL A 15 3.608 -2.541 6.027 1.00 0.00 C ATOM 177 O VAL A 15 2.547 -2.013 5.695 1.00 0.00 O ATOM 178 CB VAL A 15 5.334 -1.624 7.667 1.00 0.00 C ATOM 179 CG1 VAL A 15 6.845 -1.400 7.752 1.00 0.00 C ATOM 180 CG2 VAL A 15 4.575 -0.536 8.430 1.00 0.00 C ATOM 0 H VAL A 15 3.717 0.028 5.922 1.00 0.00 H new ATOM 0 HA VAL A 15 5.671 -2.184 5.653 1.00 0.00 H new ATOM 0 HB VAL A 15 5.110 -2.582 8.137 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.147 -1.352 8.798 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.363 -2.224 7.262 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.102 -0.464 7.257 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.923 -0.505 9.462 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.752 0.430 7.958 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.508 -0.757 8.414 1.00 0.00 H new ATOM 190 N ALA A 16 3.763 -3.837 6.251 1.00 0.00 N ATOM 191 CA ALA A 16 2.648 -4.759 6.114 1.00 0.00 C ATOM 192 C ALA A 16 2.705 -5.792 7.241 1.00 0.00 C ATOM 193 O ALA A 16 3.628 -6.603 7.299 1.00 0.00 O ATOM 194 CB ALA A 16 2.687 -5.406 4.728 1.00 0.00 C ATOM 0 H ALA A 16 4.644 -4.271 6.527 1.00 0.00 H new ATOM 0 HA ALA A 16 1.699 -4.229 6.200 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.851 -6.097 4.626 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.614 -4.633 3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.624 -5.949 4.606 1.00 0.00 H new ATOM 200 N VAL A 17 1.705 -5.729 8.109 1.00 0.00 N ATOM 201 CA VAL A 17 1.630 -6.649 9.231 1.00 0.00 C ATOM 202 C VAL A 17 0.475 -7.627 9.006 1.00 0.00 C ATOM 203 O VAL A 17 -0.691 -7.245 9.088 1.00 0.00 O ATOM 204 CB VAL A 17 1.506 -5.868 10.541 1.00 0.00 C ATOM 205 CG1 VAL A 17 0.604 -4.644 10.365 1.00 0.00 C ATOM 206 CG2 VAL A 17 0.996 -6.767 11.669 1.00 0.00 C ATOM 0 H VAL A 17 0.941 -5.055 8.058 1.00 0.00 H new ATOM 0 HA VAL A 17 2.545 -7.237 9.305 1.00 0.00 H new ATOM 0 HB VAL A 17 2.500 -5.516 10.817 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.532 -4.106 11.310 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.026 -3.987 9.605 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.390 -4.966 10.054 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.917 -6.187 12.589 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.015 -7.162 11.404 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.692 -7.593 11.819 1.00 0.00 H new ATOM 216 N ARG A 18 0.840 -8.870 8.728 1.00 0.00 N ATOM 217 CA ARG A 18 -0.151 -9.906 8.490 1.00 0.00 C ATOM 218 C ARG A 18 -0.931 -10.199 9.774 1.00 0.00 C ATOM 219 O ARG A 18 -0.377 -10.129 10.870 1.00 0.00 O ATOM 220 CB ARG A 18 0.507 -11.196 7.996 1.00 0.00 C ATOM 221 CG ARG A 18 -0.375 -11.900 6.963 1.00 0.00 C ATOM 222 CD ARG A 18 -1.198 -13.014 7.613 1.00 0.00 C ATOM 223 NE ARG A 18 -0.306 -13.935 8.354 1.00 0.00 N ATOM 224 CZ ARG A 18 -0.711 -14.730 9.354 1.00 0.00 C ATOM 225 NH1 ARG A 18 -1.994 -14.721 9.740 1.00 0.00 N ATOM 226 NH2 ARG A 18 0.168 -15.533 9.969 1.00 0.00 N ATOM 0 H ARG A 18 1.808 -9.183 8.662 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.832 -9.542 7.721 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.478 -10.968 7.556 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.688 -11.862 8.839 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.042 -11.176 6.495 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.248 -12.317 6.172 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.935 -12.584 8.291 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.749 -13.563 6.850 1.00 0.00 H new ATOM 0 HE ARG A 18 0.678 -13.966 8.087 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.663 -14.109 9.273 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.302 -15.326 10.501 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.145 -15.539 9.676 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.140 -16.138 10.730 1.00 0.00 H new ATOM 240 N THR A 19 -2.203 -10.521 9.596 1.00 0.00 N ATOM 241 CA THR A 19 -3.064 -10.825 10.726 1.00 0.00 C ATOM 242 C THR A 19 -4.228 -11.715 10.286 1.00 0.00 C ATOM 243 O THR A 19 -4.280 -12.153 9.138 1.00 0.00 O ATOM 244 CB THR A 19 -3.514 -9.501 11.347 1.00 0.00 C ATOM 245 OG1 THR A 19 -4.776 -9.243 10.739 1.00 0.00 O ATOM 246 CG2 THR A 19 -2.641 -8.322 10.909 1.00 0.00 C ATOM 0 H THR A 19 -2.659 -10.578 8.685 1.00 0.00 H new ATOM 0 HA THR A 19 -2.530 -11.394 11.487 1.00 0.00 H new ATOM 0 HB THR A 19 -3.493 -9.584 12.434 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.673 -8.552 10.051 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.003 -7.407 11.378 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.609 -8.501 11.212 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.688 -8.217 9.825 1.00 0.00 H new ATOM 254 N PRO A 20 -5.157 -11.964 11.248 1.00 0.00 N ATOM 255 CA PRO A 20 -6.316 -12.794 10.971 1.00 0.00 C ATOM 256 C PRO A 20 -7.343 -12.038 10.126 1.00 0.00 C ATOM 257 O PRO A 20 -7.964 -12.615 9.234 1.00 0.00 O ATOM 258 CB PRO A 20 -6.850 -13.193 12.338 1.00 0.00 C ATOM 259 CG PRO A 20 -6.255 -12.200 13.323 1.00 0.00 C ATOM 260 CD PRO A 20 -5.128 -11.462 12.619 1.00 0.00 C ATOM 0 HA PRO A 20 -6.070 -13.677 10.381 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.939 -13.158 12.357 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.560 -14.213 12.588 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.016 -11.498 13.664 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -5.879 -12.717 14.206 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -5.281 -10.383 12.649 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.167 -11.661 13.093 1.00 0.00 H new ATOM 268 N ARG A 21 -7.491 -10.759 10.436 1.00 0.00 N ATOM 269 CA ARG A 21 -8.432 -9.918 9.716 1.00 0.00 C ATOM 270 C ARG A 21 -7.797 -9.394 8.426 1.00 0.00 C ATOM 271 O ARG A 21 -8.441 -8.683 7.657 1.00 0.00 O ATOM 272 CB ARG A 21 -8.880 -8.732 10.574 1.00 0.00 C ATOM 273 CG ARG A 21 -9.208 -9.180 11.999 1.00 0.00 C ATOM 274 CD ARG A 21 -10.396 -8.396 12.560 1.00 0.00 C ATOM 275 NE ARG A 21 -11.445 -9.331 13.025 1.00 0.00 N ATOM 276 CZ ARG A 21 -12.725 -8.986 13.223 1.00 0.00 C ATOM 277 NH1 ARG A 21 -13.121 -7.725 12.999 1.00 0.00 N ATOM 278 NH2 ARG A 21 -13.608 -9.901 13.646 1.00 0.00 N ATOM 0 H ARG A 21 -6.975 -10.284 11.177 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.303 -10.527 9.475 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.093 -7.978 10.598 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.756 -8.264 10.125 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.435 -10.246 12.006 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.338 -9.036 12.639 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.068 -7.764 13.386 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.800 -7.735 11.794 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.177 -10.298 13.206 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.448 -7.029 12.678 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.095 -7.462 13.149 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.306 -10.860 13.817 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.582 -9.638 13.797 1.00 0.00 H new ATOM 292 N GLY A 22 -6.541 -9.767 8.229 1.00 0.00 N ATOM 293 CA GLY A 22 -5.812 -9.344 7.046 1.00 0.00 C ATOM 294 C GLY A 22 -4.529 -8.602 7.428 1.00 0.00 C ATOM 295 O GLY A 22 -4.297 -8.321 8.603 1.00 0.00 O ATOM 0 H GLY A 22 -6.010 -10.358 8.869 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.566 -10.213 6.436 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.443 -8.696 6.438 1.00 0.00 H new ATOM 299 N VAL A 23 -3.730 -8.307 6.414 1.00 0.00 N ATOM 300 CA VAL A 23 -2.477 -7.603 6.629 1.00 0.00 C ATOM 301 C VAL A 23 -2.752 -6.102 6.737 1.00 0.00 C ATOM 302 O VAL A 23 -3.311 -5.502 5.820 1.00 0.00 O ATOM 303 CB VAL A 23 -1.484 -7.951 5.518 1.00 0.00 C ATOM 304 CG1 VAL A 23 -2.211 -8.467 4.274 1.00 0.00 C ATOM 305 CG2 VAL A 23 -0.600 -6.750 5.177 1.00 0.00 C ATOM 0 H VAL A 23 -3.926 -8.542 5.441 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.018 -7.917 7.567 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.838 -8.749 5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.482 -8.707 3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.778 -9.363 4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.892 -7.699 3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.097 -7.024 4.385 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.225 -5.922 4.841 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.041 -6.446 6.062 1.00 0.00 H new ATOM 315 N LEU A 24 -2.347 -5.538 7.865 1.00 0.00 N ATOM 316 CA LEU A 24 -2.543 -4.118 8.105 1.00 0.00 C ATOM 317 C LEU A 24 -1.319 -3.348 7.605 1.00 0.00 C ATOM 318 O LEU A 24 -0.241 -3.441 8.191 1.00 0.00 O ATOM 319 CB LEU A 24 -2.871 -3.864 9.577 1.00 0.00 C ATOM 320 CG LEU A 24 -3.535 -2.522 9.894 1.00 0.00 C ATOM 321 CD1 LEU A 24 -4.293 -1.985 8.678 1.00 0.00 C ATOM 322 CD2 LEU A 24 -4.434 -2.633 11.127 1.00 0.00 C ATOM 0 H LEU A 24 -1.884 -6.039 8.623 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.402 -3.751 7.544 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.526 -4.662 9.926 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.948 -3.935 10.152 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.753 -1.801 10.130 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.756 -1.031 8.930 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.599 -1.844 7.850 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.065 -2.697 8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.894 -1.666 11.330 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.213 -3.373 10.944 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.837 -2.939 11.986 1.00 0.00 H new ATOM 334 N LEU A 25 -1.526 -2.604 6.528 1.00 0.00 N ATOM 335 CA LEU A 25 -0.453 -1.818 5.944 1.00 0.00 C ATOM 336 C LEU A 25 -0.403 -0.448 6.623 1.00 0.00 C ATOM 337 O LEU A 25 -1.402 0.268 6.660 1.00 0.00 O ATOM 338 CB LEU A 25 -0.609 -1.745 4.424 1.00 0.00 C ATOM 339 CG LEU A 25 -0.943 -3.063 3.720 1.00 0.00 C ATOM 340 CD1 LEU A 25 -1.667 -2.809 2.396 1.00 0.00 C ATOM 341 CD2 LEU A 25 0.312 -3.918 3.533 1.00 0.00 C ATOM 0 H LEU A 25 -2.421 -2.529 6.045 1.00 0.00 H new ATOM 0 HA LEU A 25 0.510 -2.297 6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.393 -1.024 4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.317 -1.355 4.002 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.625 -3.627 4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.893 -3.761 1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.595 -2.270 2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.030 -2.215 1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.047 -4.848 3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.037 -3.373 2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.748 -4.143 4.507 1.00 0.00 H new ATOM 353 N HIS A 26 0.772 -0.124 7.143 1.00 0.00 N ATOM 354 CA HIS A 26 0.966 1.147 7.819 1.00 0.00 C ATOM 355 C HIS A 26 1.925 2.020 7.006 1.00 0.00 C ATOM 356 O HIS A 26 3.033 1.596 6.683 1.00 0.00 O ATOM 357 CB HIS A 26 1.438 0.931 9.259 1.00 0.00 C ATOM 358 CG HIS A 26 0.802 -0.256 9.942 1.00 0.00 C ATOM 359 ND1 HIS A 26 1.369 -0.883 11.037 1.00 0.00 N ATOM 360 CD2 HIS A 26 -0.358 -0.922 9.674 1.00 0.00 C ATOM 361 CE1 HIS A 26 0.578 -1.881 11.403 1.00 0.00 C ATOM 362 NE2 HIS A 26 -0.491 -1.903 10.557 1.00 0.00 N ATOM 0 H HIS A 26 1.599 -0.720 7.110 1.00 0.00 H new ATOM 0 HA HIS A 26 0.015 1.676 7.885 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.520 0.801 9.260 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.224 1.829 9.839 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.247 -0.622 11.486 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.050 -0.690 8.878 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.750 -2.558 12.227 1.00 0.00 H new ATOM 370 N TRP A 27 1.462 3.223 6.698 1.00 0.00 N ATOM 371 CA TRP A 27 2.264 4.158 5.928 1.00 0.00 C ATOM 372 C TRP A 27 2.224 5.512 6.640 1.00 0.00 C ATOM 373 O TRP A 27 1.545 5.664 7.654 1.00 0.00 O ATOM 374 CB TRP A 27 1.782 4.230 4.478 1.00 0.00 C ATOM 375 CG TRP A 27 0.363 4.779 4.320 1.00 0.00 C ATOM 376 CD1 TRP A 27 -0.032 6.059 4.333 1.00 0.00 C ATOM 377 CD2 TRP A 27 -0.840 4.007 4.123 1.00 0.00 C ATOM 378 NE1 TRP A 27 -1.397 6.169 4.160 1.00 0.00 N ATOM 379 CE2 TRP A 27 -1.904 4.881 4.029 1.00 0.00 C ATOM 380 CE3 TRP A 27 -1.024 2.617 4.029 1.00 0.00 C ATOM 381 CZ2 TRP A 27 -3.226 4.462 3.834 1.00 0.00 C ATOM 382 CZ3 TRP A 27 -2.351 2.214 3.835 1.00 0.00 C ATOM 383 CH2 TRP A 27 -3.433 3.081 3.737 1.00 0.00 C ATOM 0 H TRP A 27 0.542 3.571 6.968 1.00 0.00 H new ATOM 0 HA TRP A 27 3.300 3.824 5.873 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.468 4.857 3.909 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.825 3.232 4.042 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.634 6.899 4.463 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.935 7.035 4.133 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -0.206 1.915 4.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -4.042 5.166 3.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -2.548 1.155 3.756 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.429 2.691 3.587 1.00 0.00 H new ATOM 394 N ASP A 28 2.959 6.461 6.079 1.00 0.00 N ATOM 395 CA ASP A 28 3.015 7.797 6.647 1.00 0.00 C ATOM 396 C ASP A 28 2.608 8.817 5.582 1.00 0.00 C ATOM 397 O ASP A 28 2.809 8.590 4.390 1.00 0.00 O ATOM 398 CB ASP A 28 4.433 8.139 7.111 1.00 0.00 C ATOM 399 CG ASP A 28 4.633 8.146 8.628 1.00 0.00 C ATOM 400 OD1 ASP A 28 3.704 8.615 9.321 1.00 0.00 O ATOM 401 OD2 ASP A 28 5.710 7.682 9.060 1.00 0.00 O ATOM 0 H ASP A 28 3.520 6.331 5.237 1.00 0.00 H new ATOM 0 HA ASP A 28 2.338 7.829 7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.126 7.421 6.672 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.700 9.121 6.720 1.00 0.00 H new ATOM 406 N PRO A 29 2.027 9.949 6.063 1.00 0.00 N ATOM 407 CA PRO A 29 1.589 11.005 5.165 1.00 0.00 C ATOM 408 C PRO A 29 2.781 11.802 4.633 1.00 0.00 C ATOM 409 O PRO A 29 3.799 11.931 5.312 1.00 0.00 O ATOM 410 CB PRO A 29 0.630 11.849 5.989 1.00 0.00 C ATOM 411 CG PRO A 29 0.922 11.513 7.442 1.00 0.00 C ATOM 412 CD PRO A 29 1.772 10.253 7.468 1.00 0.00 C ATOM 0 HA PRO A 29 1.095 10.621 4.273 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.780 12.911 5.796 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.406 11.622 5.736 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.446 12.337 7.926 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.006 11.359 7.992 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.702 10.414 8.013 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.250 9.433 7.962 1.00 0.00 H new ATOM 420 N PRO A 30 2.612 12.328 3.391 1.00 0.00 N ATOM 421 CA PRO A 30 3.662 13.109 2.759 1.00 0.00 C ATOM 422 C PRO A 30 3.754 14.506 3.377 1.00 0.00 C ATOM 423 O PRO A 30 2.781 15.258 3.366 1.00 0.00 O ATOM 424 CB PRO A 30 3.300 13.135 1.283 1.00 0.00 C ATOM 425 CG PRO A 30 1.827 12.768 1.209 1.00 0.00 C ATOM 426 CD PRO A 30 1.421 12.195 2.557 1.00 0.00 C ATOM 0 HA PRO A 30 4.652 12.677 2.905 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.479 14.121 0.854 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.908 12.427 0.719 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.226 13.646 0.971 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.654 12.039 0.417 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.578 12.740 2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.114 11.153 2.468 1.00 0.00 H new ATOM 434 N GLU A 31 4.932 14.811 3.901 1.00 0.00 N ATOM 435 CA GLU A 31 5.163 16.104 4.522 1.00 0.00 C ATOM 436 C GLU A 31 5.310 17.188 3.452 1.00 0.00 C ATOM 437 O GLU A 31 4.902 18.329 3.660 1.00 0.00 O ATOM 438 CB GLU A 31 6.391 16.063 5.433 1.00 0.00 C ATOM 439 CG GLU A 31 6.694 17.448 6.008 1.00 0.00 C ATOM 440 CD GLU A 31 6.888 17.381 7.525 1.00 0.00 C ATOM 441 OE1 GLU A 31 8.047 17.163 7.939 1.00 0.00 O ATOM 442 OE2 GLU A 31 5.873 17.551 8.235 1.00 0.00 O ATOM 0 H GLU A 31 5.737 14.185 3.908 1.00 0.00 H new ATOM 0 HA GLU A 31 4.300 16.347 5.142 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.222 15.357 6.246 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.253 15.702 4.872 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.592 17.851 5.540 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.878 18.130 5.772 1.00 0.00 H new ATOM 449 N LEU A 32 5.894 16.792 2.331 1.00 0.00 N ATOM 450 CA LEU A 32 6.100 17.715 1.228 1.00 0.00 C ATOM 451 C LEU A 32 5.018 17.489 0.170 1.00 0.00 C ATOM 452 O LEU A 32 5.202 16.695 -0.752 1.00 0.00 O ATOM 453 CB LEU A 32 7.525 17.593 0.686 1.00 0.00 C ATOM 454 CG LEU A 32 8.534 18.615 1.215 1.00 0.00 C ATOM 455 CD1 LEU A 32 9.806 18.620 0.365 1.00 0.00 C ATOM 456 CD2 LEU A 32 7.905 20.006 1.313 1.00 0.00 C ATOM 0 H LEU A 32 6.231 15.844 2.163 1.00 0.00 H new ATOM 0 HA LEU A 32 6.001 18.745 1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.895 16.594 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.488 17.677 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 32 8.822 18.320 2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.506 19.355 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.264 17.631 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.555 18.877 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.643 20.713 1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.570 20.324 0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.053 19.973 1.992 1.00 0.00 H new ATOM 468 N VAL A 33 3.913 18.200 0.338 1.00 0.00 N ATOM 469 CA VAL A 33 2.802 18.087 -0.591 1.00 0.00 C ATOM 470 C VAL A 33 2.482 19.467 -1.169 1.00 0.00 C ATOM 471 O VAL A 33 2.678 20.483 -0.504 1.00 0.00 O ATOM 472 CB VAL A 33 1.603 17.438 0.104 1.00 0.00 C ATOM 473 CG1 VAL A 33 1.791 17.424 1.622 1.00 0.00 C ATOM 474 CG2 VAL A 33 0.299 18.140 -0.282 1.00 0.00 C ATOM 0 H VAL A 33 3.763 18.857 1.104 1.00 0.00 H new ATOM 0 HA VAL A 33 3.068 17.439 -1.426 1.00 0.00 H new ATOM 0 HB VAL A 33 1.539 16.404 -0.235 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.925 16.958 2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.688 16.858 1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.894 18.446 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.537 17.659 0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.349 19.188 0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.155 18.074 -1.360 1.00 0.00 H new ATOM 484 N PRO A 34 1.983 19.460 -2.434 1.00 0.00 N ATOM 485 CA PRO A 34 1.634 20.698 -3.108 1.00 0.00 C ATOM 486 C PRO A 34 0.327 21.273 -2.559 1.00 0.00 C ATOM 487 O PRO A 34 0.173 22.490 -2.461 1.00 0.00 O ATOM 488 CB PRO A 34 1.550 20.334 -4.582 1.00 0.00 C ATOM 489 CG PRO A 34 1.395 18.822 -4.629 1.00 0.00 C ATOM 490 CD PRO A 34 1.737 18.276 -3.252 1.00 0.00 C ATOM 0 HA PRO A 34 2.370 21.486 -2.947 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.704 20.829 -5.059 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.446 20.652 -5.115 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.376 18.551 -4.905 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.054 18.394 -5.384 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.919 17.679 -2.849 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.615 17.631 -3.289 1.00 0.00 H new ATOM 498 N LYS A 35 -0.580 20.371 -2.215 1.00 0.00 N ATOM 499 CA LYS A 35 -1.869 20.773 -1.677 1.00 0.00 C ATOM 500 C LYS A 35 -2.391 19.680 -0.744 1.00 0.00 C ATOM 501 O LYS A 35 -1.876 19.502 0.359 1.00 0.00 O ATOM 502 CB LYS A 35 -2.835 21.127 -2.810 1.00 0.00 C ATOM 503 CG LYS A 35 -2.511 22.503 -3.397 1.00 0.00 C ATOM 504 CD LYS A 35 -3.751 23.134 -4.032 1.00 0.00 C ATOM 505 CE LYS A 35 -4.358 24.195 -3.113 1.00 0.00 C ATOM 506 NZ LYS A 35 -3.534 25.425 -3.125 1.00 0.00 N ATOM 0 H LYS A 35 -0.448 19.363 -2.298 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.767 21.680 -1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.776 20.371 -3.593 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.859 21.119 -2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.128 23.156 -2.613 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.724 22.407 -4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.485 23.585 -4.988 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.491 22.361 -4.239 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.373 24.427 -3.436 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.428 23.807 -2.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.064 26.202 -2.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.654 25.259 -2.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.305 25.680 -4.107 1.00 0.00 H new ATOM 520 N ARG A 36 -3.407 18.975 -1.219 1.00 0.00 N ATOM 521 CA ARG A 36 -4.005 17.904 -0.441 1.00 0.00 C ATOM 522 C ARG A 36 -3.824 16.563 -1.156 1.00 0.00 C ATOM 523 O ARG A 36 -3.725 16.518 -2.381 1.00 0.00 O ATOM 524 CB ARG A 36 -5.497 18.155 -0.212 1.00 0.00 C ATOM 525 CG ARG A 36 -5.751 18.705 1.192 1.00 0.00 C ATOM 526 CD ARG A 36 -7.157 18.341 1.677 1.00 0.00 C ATOM 527 NE ARG A 36 -7.583 19.277 2.741 1.00 0.00 N ATOM 528 CZ ARG A 36 -7.810 20.583 2.547 1.00 0.00 C ATOM 529 NH1 ARG A 36 -7.653 21.116 1.328 1.00 0.00 N ATOM 530 NH2 ARG A 36 -8.193 21.357 3.572 1.00 0.00 N ATOM 0 H ARG A 36 -3.832 19.125 -2.134 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.501 17.876 0.525 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.869 18.860 -0.955 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.051 17.226 -0.348 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.009 18.305 1.883 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.632 19.789 1.189 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.859 18.380 0.844 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.167 17.319 2.055 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.712 18.904 3.682 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.361 20.527 0.548 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.826 22.110 1.180 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.312 20.952 4.500 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.366 22.351 3.424 1.00 0.00 H new ATOM 544 N LEU A 37 -3.785 15.505 -0.360 1.00 0.00 N ATOM 545 CA LEU A 37 -3.618 14.167 -0.901 1.00 0.00 C ATOM 546 C LEU A 37 -4.949 13.685 -1.480 1.00 0.00 C ATOM 547 O LEU A 37 -5.854 13.309 -0.737 1.00 0.00 O ATOM 548 CB LEU A 37 -3.033 13.230 0.158 1.00 0.00 C ATOM 549 CG LEU A 37 -2.124 12.114 -0.363 1.00 0.00 C ATOM 550 CD1 LEU A 37 -2.080 12.111 -1.892 1.00 0.00 C ATOM 551 CD2 LEU A 37 -0.725 12.216 0.250 1.00 0.00 C ATOM 0 H LEU A 37 -3.866 15.547 0.656 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.898 14.175 -1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.467 13.829 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.857 12.774 0.707 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.544 11.158 -0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.427 11.309 -2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.085 11.955 -2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.697 13.068 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.099 11.412 -0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.283 13.177 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.796 12.131 1.334 1.00 0.00 H new ATOM 563 N ASP A 38 -5.028 13.712 -2.803 1.00 0.00 N ATOM 564 CA ASP A 38 -6.234 13.283 -3.490 1.00 0.00 C ATOM 565 C ASP A 38 -6.563 11.846 -3.083 1.00 0.00 C ATOM 566 O ASP A 38 -7.732 11.490 -2.941 1.00 0.00 O ATOM 567 CB ASP A 38 -6.042 13.313 -5.008 1.00 0.00 C ATOM 568 CG ASP A 38 -6.743 14.468 -5.725 1.00 0.00 C ATOM 569 OD1 ASP A 38 -6.899 15.527 -5.079 1.00 0.00 O ATOM 570 OD2 ASP A 38 -7.107 14.267 -6.904 1.00 0.00 O ATOM 0 H ASP A 38 -4.276 14.025 -3.417 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.040 13.963 -3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.975 13.366 -5.223 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.405 12.373 -5.424 1.00 0.00 H new ATOM 575 N GLY A 39 -5.512 11.059 -2.907 1.00 0.00 N ATOM 576 CA GLY A 39 -5.676 9.668 -2.518 1.00 0.00 C ATOM 577 C GLY A 39 -4.470 8.832 -2.953 1.00 0.00 C ATOM 578 O GLY A 39 -3.807 9.157 -3.937 1.00 0.00 O ATOM 0 H GLY A 39 -4.544 11.357 -3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.799 9.601 -1.437 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.584 9.265 -2.968 1.00 0.00 H new ATOM 582 N TYR A 40 -4.222 7.773 -2.197 1.00 0.00 N ATOM 583 CA TYR A 40 -3.107 6.888 -2.491 1.00 0.00 C ATOM 584 C TYR A 40 -3.569 5.675 -3.302 1.00 0.00 C ATOM 585 O TYR A 40 -4.763 5.501 -3.539 1.00 0.00 O ATOM 586 CB TYR A 40 -2.579 6.410 -1.137 1.00 0.00 C ATOM 587 CG TYR A 40 -2.155 7.543 -0.200 1.00 0.00 C ATOM 588 CD1 TYR A 40 -3.098 8.188 0.574 1.00 0.00 C ATOM 589 CD2 TYR A 40 -0.829 7.919 -0.129 1.00 0.00 C ATOM 590 CE1 TYR A 40 -2.698 9.253 1.456 1.00 0.00 C ATOM 591 CE2 TYR A 40 -0.429 8.985 0.753 1.00 0.00 C ATOM 592 CZ TYR A 40 -1.383 9.599 1.502 1.00 0.00 C ATOM 593 OH TYR A 40 -1.006 10.606 2.335 1.00 0.00 O ATOM 0 H TYR A 40 -4.774 7.507 -1.381 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.348 7.408 -3.075 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.350 5.816 -0.647 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.727 5.751 -1.303 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.136 7.894 0.518 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.091 7.414 -0.735 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.426 9.766 2.068 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.605 9.290 0.818 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.779 10.236 3.214 1.00 0.00 H new ATOM 603 N VAL A 41 -2.598 4.869 -3.705 1.00 0.00 N ATOM 604 CA VAL A 41 -2.890 3.677 -4.484 1.00 0.00 C ATOM 605 C VAL A 41 -2.051 2.511 -3.958 1.00 0.00 C ATOM 606 O VAL A 41 -0.842 2.462 -4.180 1.00 0.00 O ATOM 607 CB VAL A 41 -2.662 3.956 -5.971 1.00 0.00 C ATOM 608 CG1 VAL A 41 -1.499 4.929 -6.174 1.00 0.00 C ATOM 609 CG2 VAL A 41 -2.431 2.655 -6.743 1.00 0.00 C ATOM 0 H VAL A 41 -1.608 5.018 -3.507 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.938 3.397 -4.377 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.563 4.425 -6.367 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.358 5.110 -7.240 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.721 5.871 -5.672 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.589 4.500 -5.755 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.272 2.881 -7.797 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.553 2.146 -6.344 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.303 2.010 -6.638 1.00 0.00 H new ATOM 619 N LEU A 42 -2.726 1.600 -3.272 1.00 0.00 N ATOM 620 CA LEU A 42 -2.057 0.438 -2.713 1.00 0.00 C ATOM 621 C LEU A 42 -1.879 -0.617 -3.806 1.00 0.00 C ATOM 622 O LEU A 42 -2.858 -1.149 -4.327 1.00 0.00 O ATOM 623 CB LEU A 42 -2.810 -0.073 -1.482 1.00 0.00 C ATOM 624 CG LEU A 42 -2.098 -1.149 -0.660 1.00 0.00 C ATOM 625 CD1 LEU A 42 -2.578 -2.548 -1.054 1.00 0.00 C ATOM 626 CD2 LEU A 42 -0.579 -1.011 -0.774 1.00 0.00 C ATOM 0 H LEU A 42 -3.729 1.643 -3.091 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.060 0.705 -2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.019 0.775 -0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.772 -0.469 -1.807 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.356 -1.004 0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.056 -3.294 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.651 -2.627 -0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.369 -2.720 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.097 -1.788 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.282 -1.115 -1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.274 -0.032 -0.406 1.00 0.00 H new ATOM 638 N GLU A 43 -0.621 -0.888 -4.123 1.00 0.00 N ATOM 639 CA GLU A 43 -0.301 -1.870 -5.145 1.00 0.00 C ATOM 640 C GLU A 43 0.527 -3.009 -4.547 1.00 0.00 C ATOM 641 O GLU A 43 1.589 -2.774 -3.974 1.00 0.00 O ATOM 642 CB GLU A 43 0.430 -1.220 -6.321 1.00 0.00 C ATOM 643 CG GLU A 43 -0.519 -0.990 -7.498 1.00 0.00 C ATOM 644 CD GLU A 43 -0.132 0.269 -8.277 1.00 0.00 C ATOM 645 OE1 GLU A 43 0.342 1.220 -7.620 1.00 0.00 O ATOM 646 OE2 GLU A 43 -0.320 0.251 -9.513 1.00 0.00 O ATOM 0 H GLU A 43 0.189 -0.444 -3.690 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.234 -2.286 -5.525 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.860 -0.270 -6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.257 -1.856 -6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.496 -1.854 -8.162 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.541 -0.896 -7.132 1.00 0.00 H new ATOM 653 N GLY A 44 0.009 -4.219 -4.701 1.00 0.00 N ATOM 654 CA GLY A 44 0.687 -5.395 -4.183 1.00 0.00 C ATOM 655 C GLY A 44 0.915 -6.428 -5.289 1.00 0.00 C ATOM 656 O GLY A 44 0.317 -6.338 -6.360 1.00 0.00 O ATOM 0 H GLY A 44 -0.873 -4.410 -5.177 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.644 -5.106 -3.748 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.094 -5.838 -3.383 1.00 0.00 H new ATOM 660 N ARG A 45 1.782 -7.384 -4.991 1.00 0.00 N ATOM 661 CA ARG A 45 2.097 -8.433 -5.946 1.00 0.00 C ATOM 662 C ARG A 45 2.838 -9.578 -5.253 1.00 0.00 C ATOM 663 O ARG A 45 3.457 -9.379 -4.209 1.00 0.00 O ATOM 664 CB ARG A 45 2.959 -7.895 -7.090 1.00 0.00 C ATOM 665 CG ARG A 45 4.411 -7.711 -6.643 1.00 0.00 C ATOM 666 CD ARG A 45 5.294 -7.273 -7.813 1.00 0.00 C ATOM 667 NE ARG A 45 6.707 -7.200 -7.381 1.00 0.00 N ATOM 668 CZ ARG A 45 7.718 -6.826 -8.177 1.00 0.00 C ATOM 669 NH1 ARG A 45 7.478 -6.488 -9.451 1.00 0.00 N ATOM 670 NH2 ARG A 45 8.969 -6.789 -7.699 1.00 0.00 N ATOM 0 H ARG A 45 2.276 -7.454 -4.102 1.00 0.00 H new ATOM 0 HA ARG A 45 1.157 -8.801 -6.356 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.919 -8.583 -7.935 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.558 -6.942 -7.436 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.459 -6.967 -5.848 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.789 -8.645 -6.228 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.194 -7.977 -8.639 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.967 -6.301 -8.182 1.00 0.00 H new ATOM 0 HE ARG A 45 6.925 -7.450 -6.417 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.526 -6.515 -9.815 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.248 -6.203 -10.057 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.152 -7.046 -6.729 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.738 -6.504 -8.305 1.00 0.00 H new ATOM 684 N GLN A 46 2.751 -10.751 -5.862 1.00 0.00 N ATOM 685 CA GLN A 46 3.405 -11.928 -5.316 1.00 0.00 C ATOM 686 C GLN A 46 4.727 -12.185 -6.042 1.00 0.00 C ATOM 687 O GLN A 46 4.847 -11.913 -7.235 1.00 0.00 O ATOM 688 CB GLN A 46 2.490 -13.151 -5.396 1.00 0.00 C ATOM 689 CG GLN A 46 1.127 -12.859 -4.764 1.00 0.00 C ATOM 690 CD GLN A 46 0.048 -12.701 -5.837 1.00 0.00 C ATOM 691 OE1 GLN A 46 -0.656 -13.807 -6.063 1.00 0.00 O flip ATOM 692 NE2 GLN A 46 -0.134 -11.645 -6.420 1.00 0.00 N flip ATOM 0 H GLN A 46 2.237 -10.912 -6.728 1.00 0.00 H new ATOM 0 HA GLN A 46 3.620 -11.744 -4.263 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.357 -13.442 -6.438 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.958 -13.994 -4.887 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.855 -13.668 -4.086 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.187 -11.949 -4.166 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.443 -10.834 -6.198 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.863 -11.573 -7.130 1.00 0.00 H new ATOM 736 N GLY A 50 2.668 -9.583 -11.641 1.00 0.00 N ATOM 737 CA GLY A 50 2.297 -8.261 -12.114 1.00 0.00 C ATOM 738 C GLY A 50 1.722 -7.412 -10.978 1.00 0.00 C ATOM 739 O GLY A 50 0.836 -7.860 -10.252 1.00 0.00 O ATOM 0 HA2 GLY A 50 3.170 -7.764 -12.538 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.562 -8.350 -12.914 1.00 0.00 H new ATOM 743 N TRP A 51 2.250 -6.203 -10.860 1.00 0.00 N ATOM 744 CA TRP A 51 1.801 -5.288 -9.824 1.00 0.00 C ATOM 745 C TRP A 51 0.273 -5.231 -9.874 1.00 0.00 C ATOM 746 O TRP A 51 -0.301 -4.698 -10.823 1.00 0.00 O ATOM 747 CB TRP A 51 2.456 -3.915 -9.984 1.00 0.00 C ATOM 748 CG TRP A 51 3.828 -3.799 -9.316 1.00 0.00 C ATOM 749 CD1 TRP A 51 5.018 -3.610 -9.904 1.00 0.00 C ATOM 750 CD2 TRP A 51 4.105 -3.871 -7.902 1.00 0.00 C ATOM 751 NE1 TRP A 51 6.037 -3.556 -8.975 1.00 0.00 N ATOM 752 CE2 TRP A 51 5.464 -3.719 -7.719 1.00 0.00 C ATOM 753 CE3 TRP A 51 3.236 -4.057 -6.813 1.00 0.00 C ATOM 754 CZ2 TRP A 51 6.075 -3.740 -6.460 1.00 0.00 C ATOM 755 CZ3 TRP A 51 3.862 -4.075 -5.561 1.00 0.00 C ATOM 756 CH2 TRP A 51 5.229 -3.924 -5.360 1.00 0.00 C ATOM 0 H TRP A 51 2.985 -5.835 -11.465 1.00 0.00 H new ATOM 0 HA TRP A 51 2.104 -5.642 -8.839 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.561 -3.695 -11.046 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.794 -3.157 -9.565 1.00 0.00 H new ATOM 0 HD1 TRP A 51 5.161 -3.512 -10.970 1.00 0.00 H new ATOM 0 HE1 TRP A 51 7.028 -3.421 -9.173 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.169 -4.177 -6.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.142 -3.621 -6.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.239 -4.216 -4.690 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.636 -3.949 -4.360 1.00 0.00 H new ATOM 767 N GLU A 52 -0.343 -5.788 -8.842 1.00 0.00 N ATOM 768 CA GLU A 52 -1.793 -5.807 -8.756 1.00 0.00 C ATOM 769 C GLU A 52 -2.298 -4.564 -8.019 1.00 0.00 C ATOM 770 O GLU A 52 -1.813 -4.241 -6.936 1.00 0.00 O ATOM 771 CB GLU A 52 -2.285 -7.086 -8.075 1.00 0.00 C ATOM 772 CG GLU A 52 -2.411 -8.230 -9.083 1.00 0.00 C ATOM 773 CD GLU A 52 -1.371 -9.318 -8.810 1.00 0.00 C ATOM 774 OE1 GLU A 52 -0.365 -8.988 -8.146 1.00 0.00 O ATOM 775 OE2 GLU A 52 -1.605 -10.456 -9.272 1.00 0.00 O ATOM 0 H GLU A 52 0.136 -6.230 -8.058 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.198 -5.794 -9.768 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.593 -7.370 -7.282 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.251 -6.903 -7.604 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.412 -8.658 -9.030 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.282 -7.844 -10.094 1.00 0.00 H new ATOM 782 N VAL A 53 -3.265 -3.902 -8.636 1.00 0.00 N ATOM 783 CA VAL A 53 -3.841 -2.702 -8.053 1.00 0.00 C ATOM 784 C VAL A 53 -4.855 -3.099 -6.979 1.00 0.00 C ATOM 785 O VAL A 53 -6.016 -3.369 -7.285 1.00 0.00 O ATOM 786 CB VAL A 53 -4.444 -1.824 -9.150 1.00 0.00 C ATOM 787 CG1 VAL A 53 -5.404 -0.790 -8.559 1.00 0.00 C ATOM 788 CG2 VAL A 53 -3.349 -1.147 -9.976 1.00 0.00 C ATOM 0 H VAL A 53 -3.665 -4.174 -9.534 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.069 -2.105 -7.567 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.016 -2.469 -9.818 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.819 -0.179 -9.360 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.213 -1.301 -8.037 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.865 -0.152 -7.858 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.806 -0.529 -10.749 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.737 -0.522 -9.326 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.723 -1.907 -10.443 1.00 0.00 H new ATOM 798 N LEU A 54 -4.382 -3.123 -5.742 1.00 0.00 N ATOM 799 CA LEU A 54 -5.233 -3.482 -4.621 1.00 0.00 C ATOM 800 C LEU A 54 -6.318 -2.417 -4.448 1.00 0.00 C ATOM 801 O LEU A 54 -7.503 -2.740 -4.371 1.00 0.00 O ATOM 802 CB LEU A 54 -4.394 -3.714 -3.363 1.00 0.00 C ATOM 803 CG LEU A 54 -3.148 -4.585 -3.539 1.00 0.00 C ATOM 804 CD1 LEU A 54 -2.651 -5.110 -2.190 1.00 0.00 C ATOM 805 CD2 LEU A 54 -3.408 -5.718 -4.534 1.00 0.00 C ATOM 0 H LEU A 54 -3.419 -2.899 -5.491 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.741 -4.427 -4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.083 -2.744 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.030 -4.173 -2.606 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.354 -3.966 -3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.765 -5.726 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.401 -4.270 -1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.433 -5.709 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.507 -6.322 -4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.223 -6.343 -4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.680 -5.297 -5.502 1.00 0.00 H new ATOM 817 N ASP A 55 -5.875 -1.170 -4.392 1.00 0.00 N ATOM 818 CA ASP A 55 -6.793 -0.056 -4.230 1.00 0.00 C ATOM 819 C ASP A 55 -6.100 1.238 -4.661 1.00 0.00 C ATOM 820 O ASP A 55 -5.273 1.778 -3.928 1.00 0.00 O ATOM 821 CB ASP A 55 -7.218 0.100 -2.768 1.00 0.00 C ATOM 822 CG ASP A 55 -8.677 0.510 -2.559 1.00 0.00 C ATOM 823 OD1 ASP A 55 -9.018 1.633 -2.989 1.00 0.00 O ATOM 824 OD2 ASP A 55 -9.418 -0.309 -1.974 1.00 0.00 O ATOM 0 H ASP A 55 -4.892 -0.906 -4.456 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.673 -0.253 -4.843 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.044 -0.844 -2.252 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.576 0.844 -2.296 1.00 0.00 H new ATOM 829 N PRO A 56 -6.472 1.710 -5.881 1.00 0.00 N ATOM 830 CA PRO A 56 -5.895 2.931 -6.419 1.00 0.00 C ATOM 831 C PRO A 56 -6.477 4.164 -5.725 1.00 0.00 C ATOM 832 O PRO A 56 -5.810 5.192 -5.616 1.00 0.00 O ATOM 833 CB PRO A 56 -6.200 2.887 -7.907 1.00 0.00 C ATOM 834 CG PRO A 56 -7.331 1.885 -8.072 1.00 0.00 C ATOM 835 CD PRO A 56 -7.448 1.098 -6.777 1.00 0.00 C ATOM 0 HA PRO A 56 -4.821 3.000 -6.248 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.493 3.870 -8.275 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.322 2.582 -8.477 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.267 2.398 -8.293 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -7.129 1.216 -8.909 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.456 1.160 -6.366 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.232 0.041 -6.935 1.00 0.00 H new ATOM 843 N ALA A 57 -7.715 4.021 -5.274 1.00 0.00 N ATOM 844 CA ALA A 57 -8.394 5.111 -4.593 1.00 0.00 C ATOM 845 C ALA A 57 -8.353 4.868 -3.083 1.00 0.00 C ATOM 846 O ALA A 57 -9.118 4.060 -2.560 1.00 0.00 O ATOM 847 CB ALA A 57 -9.823 5.234 -5.126 1.00 0.00 C ATOM 0 H ALA A 57 -8.265 3.167 -5.367 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.891 6.058 -4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -10.333 6.051 -4.616 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.796 5.436 -6.197 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.360 4.303 -4.946 1.00 0.00 H new ATOM 853 N VAL A 58 -7.452 5.583 -2.425 1.00 0.00 N ATOM 854 CA VAL A 58 -7.302 5.456 -0.986 1.00 0.00 C ATOM 855 C VAL A 58 -7.400 6.840 -0.342 1.00 0.00 C ATOM 856 O VAL A 58 -6.622 7.736 -0.667 1.00 0.00 O ATOM 857 CB VAL A 58 -5.992 4.735 -0.658 1.00 0.00 C ATOM 858 CG1 VAL A 58 -5.705 4.776 0.844 1.00 0.00 C ATOM 859 CG2 VAL A 58 -6.015 3.295 -1.174 1.00 0.00 C ATOM 0 H VAL A 58 -6.819 6.252 -2.862 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.106 4.848 -0.571 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.184 5.260 -1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.769 4.257 1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.624 5.813 1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.517 4.288 1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.073 2.805 -0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.838 2.754 -0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.151 3.298 -2.256 1.00 0.00 H new ATOM 869 N ALA A 59 -8.363 6.972 0.558 1.00 0.00 N ATOM 870 CA ALA A 59 -8.572 8.233 1.250 1.00 0.00 C ATOM 871 C ALA A 59 -7.218 8.888 1.528 1.00 0.00 C ATOM 872 O ALA A 59 -6.264 8.213 1.912 1.00 0.00 O ATOM 873 CB ALA A 59 -9.374 7.986 2.529 1.00 0.00 C ATOM 0 H ALA A 59 -9.007 6.227 0.824 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.149 8.920 0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.531 8.931 3.048 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.339 7.547 2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.824 7.303 3.177 1.00 0.00 H new ATOM 879 N GLY A 60 -7.177 10.197 1.323 1.00 0.00 N ATOM 880 CA GLY A 60 -5.956 10.951 1.547 1.00 0.00 C ATOM 881 C GLY A 60 -5.794 11.307 3.026 1.00 0.00 C ATOM 882 O GLY A 60 -4.937 12.113 3.385 1.00 0.00 O ATOM 0 H GLY A 60 -7.970 10.754 1.004 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.098 10.367 1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.973 11.863 0.950 1.00 0.00 H new ATOM 886 N THR A 61 -6.632 10.689 3.846 1.00 0.00 N ATOM 887 CA THR A 61 -6.593 10.930 5.278 1.00 0.00 C ATOM 888 C THR A 61 -6.288 9.633 6.030 1.00 0.00 C ATOM 889 O THR A 61 -6.180 9.632 7.255 1.00 0.00 O ATOM 890 CB THR A 61 -7.922 11.571 5.686 1.00 0.00 C ATOM 891 OG1 THR A 61 -8.908 10.729 5.095 1.00 0.00 O ATOM 892 CG2 THR A 61 -8.145 12.930 5.021 1.00 0.00 C ATOM 0 H THR A 61 -7.342 10.021 3.545 1.00 0.00 H new ATOM 0 HA THR A 61 -5.789 11.617 5.541 1.00 0.00 H new ATOM 0 HB THR A 61 -7.951 11.688 6.769 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.801 11.070 5.310 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.102 13.341 5.344 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.343 13.611 5.306 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.150 12.809 3.938 1.00 0.00 H new ATOM 900 N GLU A 62 -6.158 8.560 5.264 1.00 0.00 N ATOM 901 CA GLU A 62 -5.867 7.259 5.842 1.00 0.00 C ATOM 902 C GLU A 62 -4.362 7.100 6.063 1.00 0.00 C ATOM 903 O GLU A 62 -3.564 7.824 5.469 1.00 0.00 O ATOM 904 CB GLU A 62 -6.413 6.133 4.961 1.00 0.00 C ATOM 905 CG GLU A 62 -7.934 6.232 4.825 1.00 0.00 C ATOM 906 CD GLU A 62 -8.625 5.923 6.155 1.00 0.00 C ATOM 907 OE1 GLU A 62 -8.700 6.854 6.985 1.00 0.00 O ATOM 908 OE2 GLU A 62 -9.062 4.762 6.311 1.00 0.00 O ATOM 0 H GLU A 62 -6.249 8.565 4.248 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.365 7.194 6.809 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.952 6.182 3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.145 5.168 5.390 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.209 7.233 4.492 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.280 5.536 4.061 1.00 0.00 H new ATOM 915 N THR A 63 -4.019 6.149 6.919 1.00 0.00 N ATOM 916 CA THR A 63 -2.623 5.887 7.226 1.00 0.00 C ATOM 917 C THR A 63 -2.342 4.383 7.189 1.00 0.00 C ATOM 918 O THR A 63 -1.260 3.941 7.571 1.00 0.00 O ATOM 919 CB THR A 63 -2.307 6.531 8.578 1.00 0.00 C ATOM 920 OG1 THR A 63 -3.580 6.670 9.202 1.00 0.00 O ATOM 921 CG2 THR A 63 -1.801 7.968 8.438 1.00 0.00 C ATOM 0 H THR A 63 -4.683 5.550 7.410 1.00 0.00 H new ATOM 0 HA THR A 63 -1.964 6.328 6.478 1.00 0.00 H new ATOM 0 HB THR A 63 -1.560 5.933 9.099 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.468 7.078 10.086 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.592 8.378 9.426 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.889 7.976 7.841 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.561 8.575 7.947 1.00 0.00 H new ATOM 929 N GLU A 64 -3.336 3.640 6.726 1.00 0.00 N ATOM 930 CA GLU A 64 -3.210 2.195 6.634 1.00 0.00 C ATOM 931 C GLU A 64 -4.377 1.610 5.836 1.00 0.00 C ATOM 932 O GLU A 64 -5.365 2.297 5.581 1.00 0.00 O ATOM 933 CB GLU A 64 -3.124 1.562 8.024 1.00 0.00 C ATOM 934 CG GLU A 64 -4.042 2.284 9.013 1.00 0.00 C ATOM 935 CD GLU A 64 -3.234 2.938 10.135 1.00 0.00 C ATOM 936 OE1 GLU A 64 -2.237 3.612 9.798 1.00 0.00 O ATOM 937 OE2 GLU A 64 -3.631 2.749 11.305 1.00 0.00 O ATOM 0 H GLU A 64 -4.232 4.011 6.410 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.284 1.964 6.108 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.402 0.510 7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.095 1.601 8.382 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.622 3.043 8.488 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.753 1.576 9.438 1.00 0.00 H new ATOM 944 N LEU A 65 -4.224 0.347 5.465 1.00 0.00 N ATOM 945 CA LEU A 65 -5.253 -0.338 4.701 1.00 0.00 C ATOM 946 C LEU A 65 -5.163 -1.842 4.968 1.00 0.00 C ATOM 947 O LEU A 65 -4.100 -2.352 5.319 1.00 0.00 O ATOM 948 CB LEU A 65 -5.155 0.031 3.220 1.00 0.00 C ATOM 949 CG LEU A 65 -6.013 -0.801 2.264 1.00 0.00 C ATOM 950 CD1 LEU A 65 -7.451 -0.279 2.223 1.00 0.00 C ATOM 951 CD2 LEU A 65 -5.384 -0.857 0.870 1.00 0.00 C ATOM 0 H LEU A 65 -3.403 -0.220 5.679 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.244 -0.016 5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.433 1.079 3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.113 -0.057 2.912 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.052 -1.823 2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.040 -0.888 1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.886 -0.334 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.453 0.756 1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.014 -1.454 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.295 0.153 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.395 -1.310 0.935 1.00 0.00 H new ATOM 963 N LEU A 66 -6.294 -2.510 4.791 1.00 0.00 N ATOM 964 CA LEU A 66 -6.356 -3.946 5.008 1.00 0.00 C ATOM 965 C LEU A 66 -6.275 -4.665 3.661 1.00 0.00 C ATOM 966 O LEU A 66 -6.855 -4.212 2.675 1.00 0.00 O ATOM 967 CB LEU A 66 -7.597 -4.310 5.826 1.00 0.00 C ATOM 968 CG LEU A 66 -7.529 -5.630 6.597 1.00 0.00 C ATOM 969 CD1 LEU A 66 -6.490 -5.557 7.718 1.00 0.00 C ATOM 970 CD2 LEU A 66 -8.909 -6.031 7.120 1.00 0.00 C ATOM 0 H LEU A 66 -7.174 -2.084 4.500 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.503 -4.280 5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.788 -3.506 6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.453 -4.349 5.152 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.206 -6.411 5.909 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.462 -6.508 8.250 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.508 -5.351 7.291 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.759 -4.761 8.412 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.832 -6.972 7.664 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.285 -5.256 7.788 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.595 -6.151 6.282 1.00 0.00 H new ATOM 982 N VAL A 67 -5.550 -5.774 3.661 1.00 0.00 N ATOM 983 CA VAL A 67 -5.385 -6.561 2.450 1.00 0.00 C ATOM 984 C VAL A 67 -5.391 -8.048 2.809 1.00 0.00 C ATOM 985 O VAL A 67 -4.378 -8.729 2.664 1.00 0.00 O ATOM 986 CB VAL A 67 -4.115 -6.128 1.715 1.00 0.00 C ATOM 987 CG1 VAL A 67 -4.350 -4.838 0.926 1.00 0.00 C ATOM 988 CG2 VAL A 67 -2.945 -5.971 2.687 1.00 0.00 C ATOM 0 H VAL A 67 -5.070 -6.146 4.480 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.216 -6.389 1.765 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.856 -6.913 1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.431 -4.553 0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.140 -4.999 0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.646 -4.042 1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.055 -5.663 2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.191 -5.216 3.433 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.754 -6.923 3.183 1.00 0.00 H new ATOM 998 N PRO A 68 -6.575 -8.520 3.283 1.00 0.00 N ATOM 999 CA PRO A 68 -6.727 -9.914 3.663 1.00 0.00 C ATOM 1000 C PRO A 68 -6.823 -10.812 2.428 1.00 0.00 C ATOM 1001 O PRO A 68 -6.827 -12.037 2.545 1.00 0.00 O ATOM 1002 CB PRO A 68 -7.979 -9.953 4.524 1.00 0.00 C ATOM 1003 CG PRO A 68 -8.738 -8.673 4.214 1.00 0.00 C ATOM 1004 CD PRO A 68 -7.797 -7.742 3.468 1.00 0.00 C ATOM 0 HA PRO A 68 -5.868 -10.295 4.215 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -8.583 -10.831 4.295 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.724 -10.009 5.582 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.620 -8.889 3.610 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.088 -8.205 5.134 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.220 -7.435 2.511 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.605 -6.833 4.038 1.00 0.00 H new ATOM 1012 N GLY A 69 -6.899 -10.169 1.272 1.00 0.00 N ATOM 1013 CA GLY A 69 -6.995 -10.894 0.017 1.00 0.00 C ATOM 1014 C GLY A 69 -5.721 -11.697 -0.251 1.00 0.00 C ATOM 1015 O GLY A 69 -5.728 -12.630 -1.053 1.00 0.00 O ATOM 0 H GLY A 69 -6.896 -9.153 1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.853 -11.566 0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.166 -10.193 -0.800 1.00 0.00 H new ATOM 1019 N LEU A 70 -4.657 -11.305 0.435 1.00 0.00 N ATOM 1020 CA LEU A 70 -3.378 -11.977 0.281 1.00 0.00 C ATOM 1021 C LEU A 70 -3.607 -13.488 0.204 1.00 0.00 C ATOM 1022 O LEU A 70 -4.659 -13.982 0.607 1.00 0.00 O ATOM 1023 CB LEU A 70 -2.415 -11.557 1.392 1.00 0.00 C ATOM 1024 CG LEU A 70 -1.901 -10.117 1.325 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -0.416 -10.048 1.689 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.185 -9.497 -0.044 1.00 0.00 C ATOM 0 H LEU A 70 -4.655 -10.531 1.099 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.901 -11.678 -0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.913 -11.700 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.557 -12.229 1.375 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.442 -9.526 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.075 -9.014 1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.272 -10.424 2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.158 -10.657 0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.810 -8.474 -0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.688 -10.082 -0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.260 -9.493 -0.226 1.00 0.00 H new ATOM 1038 N ILE A 71 -2.604 -14.181 -0.316 1.00 0.00 N ATOM 1039 CA ILE A 71 -2.683 -15.625 -0.451 1.00 0.00 C ATOM 1040 C ILE A 71 -1.731 -16.279 0.553 1.00 0.00 C ATOM 1041 O ILE A 71 -0.931 -15.596 1.190 1.00 0.00 O ATOM 1042 CB ILE A 71 -2.429 -16.043 -1.901 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -3.200 -15.147 -2.872 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -2.750 -17.524 -2.109 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -4.583 -15.728 -3.173 1.00 0.00 C ATOM 0 H ILE A 71 -1.732 -13.769 -0.649 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.688 -15.975 -0.214 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.368 -15.911 -2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.306 -14.149 -2.446 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.637 -15.040 -3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.561 -17.795 -3.148 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.120 -18.128 -1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.798 -17.706 -1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.110 -15.072 -3.866 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.473 -16.716 -3.621 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.152 -15.811 -2.247 1.00 0.00 H new ATOM 1057 N LYS A 72 -1.850 -17.594 0.662 1.00 0.00 N ATOM 1058 CA LYS A 72 -1.010 -18.348 1.578 1.00 0.00 C ATOM 1059 C LYS A 72 0.043 -19.119 0.780 1.00 0.00 C ATOM 1060 O LYS A 72 -0.251 -19.654 -0.288 1.00 0.00 O ATOM 1061 CB LYS A 72 -1.867 -19.235 2.483 1.00 0.00 C ATOM 1062 CG LYS A 72 -2.676 -20.240 1.660 1.00 0.00 C ATOM 1063 CD LYS A 72 -4.166 -19.893 1.681 1.00 0.00 C ATOM 1064 CE LYS A 72 -4.908 -20.726 2.728 1.00 0.00 C ATOM 1065 NZ LYS A 72 -6.264 -20.178 2.959 1.00 0.00 N ATOM 0 H LYS A 72 -2.515 -18.157 0.132 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.474 -17.674 2.246 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.228 -19.767 3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.542 -18.615 3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.315 -20.247 0.631 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.527 -21.244 2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.293 -18.832 1.898 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.598 -20.071 0.696 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.979 -21.761 2.394 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.347 -20.730 3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.755 -20.755 3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.189 -19.198 3.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.802 -20.196 2.069 1.00 0.00 H new ATOM 1079 N ASP A 73 1.249 -19.151 1.328 1.00 0.00 N ATOM 1080 CA ASP A 73 2.347 -19.847 0.681 1.00 0.00 C ATOM 1081 C ASP A 73 2.959 -18.941 -0.390 1.00 0.00 C ATOM 1082 O ASP A 73 3.589 -19.424 -1.330 1.00 0.00 O ATOM 1083 CB ASP A 73 1.862 -21.127 -0.003 1.00 0.00 C ATOM 1084 CG ASP A 73 2.791 -22.333 0.148 1.00 0.00 C ATOM 1085 OD1 ASP A 73 3.695 -22.463 -0.705 1.00 0.00 O ATOM 1086 OD2 ASP A 73 2.576 -23.097 1.114 1.00 0.00 O ATOM 0 H ASP A 73 1.489 -18.706 2.214 1.00 0.00 H new ATOM 0 HA ASP A 73 3.081 -20.103 1.445 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.884 -21.388 0.401 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.725 -20.924 -1.065 1.00 0.00 H new ATOM 1091 N VAL A 74 2.752 -17.645 -0.212 1.00 0.00 N ATOM 1092 CA VAL A 74 3.275 -16.668 -1.151 1.00 0.00 C ATOM 1093 C VAL A 74 3.735 -15.426 -0.385 1.00 0.00 C ATOM 1094 O VAL A 74 3.486 -15.304 0.813 1.00 0.00 O ATOM 1095 CB VAL A 74 2.226 -16.356 -2.221 1.00 0.00 C ATOM 1096 CG1 VAL A 74 1.891 -17.605 -3.040 1.00 0.00 C ATOM 1097 CG2 VAL A 74 0.966 -15.757 -1.595 1.00 0.00 C ATOM 0 H VAL A 74 2.229 -17.249 0.569 1.00 0.00 H new ATOM 0 HA VAL A 74 4.144 -17.068 -1.674 1.00 0.00 H new ATOM 0 HB VAL A 74 2.648 -15.614 -2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.143 -17.356 -3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.793 -17.971 -3.531 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.498 -18.378 -2.380 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.237 -15.545 -2.377 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.540 -16.466 -0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.221 -14.833 -1.076 1.00 0.00 H new ATOM 1107 N LEU A 75 4.397 -14.535 -1.109 1.00 0.00 N ATOM 1108 CA LEU A 75 4.894 -13.306 -0.513 1.00 0.00 C ATOM 1109 C LEU A 75 4.356 -12.109 -1.299 1.00 0.00 C ATOM 1110 O LEU A 75 4.938 -11.712 -2.307 1.00 0.00 O ATOM 1111 CB LEU A 75 6.420 -13.340 -0.410 1.00 0.00 C ATOM 1112 CG LEU A 75 7.026 -12.630 0.802 1.00 0.00 C ATOM 1113 CD1 LEU A 75 5.974 -11.788 1.528 1.00 0.00 C ATOM 1114 CD2 LEU A 75 7.706 -13.630 1.740 1.00 0.00 C ATOM 0 H LEU A 75 4.601 -14.640 -2.103 1.00 0.00 H new ATOM 0 HA LEU A 75 4.531 -13.204 0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.740 -14.382 -0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.835 -12.893 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 75 7.797 -11.946 0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.431 -11.294 2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.576 -11.036 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.165 -12.433 1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.128 -13.099 2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.973 -14.356 2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.502 -14.148 1.205 1.00 0.00 H new ATOM 1126 N TYR A 76 3.251 -11.567 -0.808 1.00 0.00 N ATOM 1127 CA TYR A 76 2.629 -10.423 -1.452 1.00 0.00 C ATOM 1128 C TYR A 76 3.319 -9.120 -1.042 1.00 0.00 C ATOM 1129 O TYR A 76 3.600 -8.907 0.137 1.00 0.00 O ATOM 1130 CB TYR A 76 1.181 -10.397 -0.957 1.00 0.00 C ATOM 1131 CG TYR A 76 0.179 -11.021 -1.931 1.00 0.00 C ATOM 1132 CD1 TYR A 76 -0.015 -12.387 -1.939 1.00 0.00 C ATOM 1133 CD2 TYR A 76 -0.529 -10.218 -2.801 1.00 0.00 C ATOM 1134 CE1 TYR A 76 -0.958 -12.975 -2.855 1.00 0.00 C ATOM 1135 CE2 TYR A 76 -1.472 -10.805 -3.717 1.00 0.00 C ATOM 1136 CZ TYR A 76 -1.640 -12.155 -3.699 1.00 0.00 C ATOM 1137 OH TYR A 76 -2.530 -12.709 -4.565 1.00 0.00 O ATOM 0 H TYR A 76 2.771 -11.899 0.028 1.00 0.00 H new ATOM 0 HA TYR A 76 2.699 -10.508 -2.536 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.124 -10.925 -0.005 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.891 -9.364 -0.766 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.540 -13.015 -1.258 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.376 -9.149 -2.795 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.120 -14.043 -2.871 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.033 -10.188 -4.403 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.099 -13.442 -5.053 1.00 0.00 H new ATOM 1147 N GLU A 77 3.572 -8.284 -2.037 1.00 0.00 N ATOM 1148 CA GLU A 77 4.224 -7.008 -1.795 1.00 0.00 C ATOM 1149 C GLU A 77 3.180 -5.898 -1.649 1.00 0.00 C ATOM 1150 O GLU A 77 1.980 -6.155 -1.733 1.00 0.00 O ATOM 1151 CB GLU A 77 5.220 -6.681 -2.910 1.00 0.00 C ATOM 1152 CG GLU A 77 6.580 -7.324 -2.635 1.00 0.00 C ATOM 1153 CD GLU A 77 7.226 -7.817 -3.931 1.00 0.00 C ATOM 1154 OE1 GLU A 77 7.619 -6.946 -4.737 1.00 0.00 O ATOM 1155 OE2 GLU A 77 7.312 -9.054 -4.088 1.00 0.00 O ATOM 0 H GLU A 77 3.337 -8.465 -3.013 1.00 0.00 H new ATOM 0 HA GLU A 77 4.784 -7.079 -0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.832 -7.036 -3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.335 -5.600 -2.995 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.236 -6.602 -2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.459 -8.159 -1.945 1.00 0.00 H new ATOM 1162 N PHE A 78 3.676 -4.689 -1.434 1.00 0.00 N ATOM 1163 CA PHE A 78 2.802 -3.539 -1.276 1.00 0.00 C ATOM 1164 C PHE A 78 3.553 -2.236 -1.559 1.00 0.00 C ATOM 1165 O PHE A 78 4.702 -2.076 -1.151 1.00 0.00 O ATOM 1166 CB PHE A 78 2.328 -3.534 0.179 1.00 0.00 C ATOM 1167 CG PHE A 78 1.417 -4.710 0.540 1.00 0.00 C ATOM 1168 CD1 PHE A 78 0.271 -4.922 -0.161 1.00 0.00 C ATOM 1169 CD2 PHE A 78 1.753 -5.541 1.562 1.00 0.00 C ATOM 1170 CE1 PHE A 78 -0.574 -6.013 0.174 1.00 0.00 C ATOM 1171 CE2 PHE A 78 0.907 -6.632 1.897 1.00 0.00 C ATOM 1172 CZ PHE A 78 -0.238 -6.845 1.196 1.00 0.00 C ATOM 0 H PHE A 78 4.672 -4.480 -1.365 1.00 0.00 H new ATOM 0 HA PHE A 78 1.969 -3.606 -1.976 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.199 -3.548 0.834 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.797 -2.603 0.374 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.004 -4.261 -0.972 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.663 -5.372 2.119 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.484 -6.182 -0.383 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.174 -7.292 2.709 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.881 -7.675 1.451 1.00 0.00 H new ATOM 1182 N ARG A 79 2.872 -1.338 -2.255 1.00 0.00 N ATOM 1183 CA ARG A 79 3.460 -0.054 -2.598 1.00 0.00 C ATOM 1184 C ARG A 79 2.382 1.031 -2.636 1.00 0.00 C ATOM 1185 O ARG A 79 1.373 0.884 -3.323 1.00 0.00 O ATOM 1186 CB ARG A 79 4.161 -0.114 -3.957 1.00 0.00 C ATOM 1187 CG ARG A 79 3.143 -0.150 -5.098 1.00 0.00 C ATOM 1188 CD ARG A 79 3.816 -0.518 -6.422 1.00 0.00 C ATOM 1189 NE ARG A 79 3.370 0.404 -7.490 1.00 0.00 N ATOM 1190 CZ ARG A 79 3.840 0.384 -8.744 1.00 0.00 C ATOM 1191 NH1 ARG A 79 4.773 -0.512 -9.096 1.00 0.00 N ATOM 1192 NH2 ARG A 79 3.377 1.259 -9.648 1.00 0.00 N ATOM 0 H ARG A 79 1.919 -1.474 -2.591 1.00 0.00 H new ATOM 0 HA ARG A 79 4.197 0.188 -1.832 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.812 0.753 -4.073 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.796 -0.998 -4.004 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.361 -0.874 -4.870 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.660 0.823 -5.190 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.900 -0.467 -6.315 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.570 -1.545 -6.691 1.00 0.00 H new ATOM 0 HE ARG A 79 2.660 1.098 -7.257 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.125 -1.179 -8.409 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.131 -0.527 -10.051 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.667 1.940 -9.381 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.735 1.243 -10.603 1.00 0.00 H new ATOM 1206 N LEU A 80 2.632 2.095 -1.887 1.00 0.00 N ATOM 1207 CA LEU A 80 1.695 3.204 -1.827 1.00 0.00 C ATOM 1208 C LEU A 80 2.216 4.354 -2.692 1.00 0.00 C ATOM 1209 O LEU A 80 3.400 4.683 -2.646 1.00 0.00 O ATOM 1210 CB LEU A 80 1.428 3.601 -0.373 1.00 0.00 C ATOM 1211 CG LEU A 80 0.004 4.060 -0.054 1.00 0.00 C ATOM 1212 CD1 LEU A 80 -1.028 3.110 -0.666 1.00 0.00 C ATOM 1213 CD2 LEU A 80 -0.193 4.228 1.453 1.00 0.00 C ATOM 0 H LEU A 80 3.470 2.213 -1.317 1.00 0.00 H new ATOM 0 HA LEU A 80 0.729 2.909 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.666 2.750 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.116 4.403 -0.104 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.150 5.038 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.032 3.459 -0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.903 3.085 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.885 2.108 -0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.214 4.555 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.013 3.276 1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.507 4.973 1.831 1.00 0.00 H new ATOM 1225 N VAL A 81 1.305 4.933 -3.460 1.00 0.00 N ATOM 1226 CA VAL A 81 1.657 6.039 -4.335 1.00 0.00 C ATOM 1227 C VAL A 81 0.758 7.237 -4.022 1.00 0.00 C ATOM 1228 O VAL A 81 -0.442 7.202 -4.288 1.00 0.00 O ATOM 1229 CB VAL A 81 1.576 5.596 -5.797 1.00 0.00 C ATOM 1230 CG1 VAL A 81 2.666 6.269 -6.635 1.00 0.00 C ATOM 1231 CG2 VAL A 81 1.657 4.073 -5.914 1.00 0.00 C ATOM 0 H VAL A 81 0.324 4.657 -3.495 1.00 0.00 H new ATOM 0 HA VAL A 81 2.687 6.351 -4.161 1.00 0.00 H new ATOM 0 HB VAL A 81 0.609 5.911 -6.189 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.586 5.937 -7.670 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.543 7.351 -6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.646 5.999 -6.242 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.597 3.785 -6.964 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.602 3.726 -5.496 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.830 3.621 -5.366 1.00 0.00 H new ATOM 1241 N ALA A 82 1.374 8.268 -3.463 1.00 0.00 N ATOM 1242 CA ALA A 82 0.644 9.474 -3.111 1.00 0.00 C ATOM 1243 C ALA A 82 0.551 10.384 -4.338 1.00 0.00 C ATOM 1244 O ALA A 82 1.553 10.945 -4.776 1.00 0.00 O ATOM 1245 CB ALA A 82 1.330 10.160 -1.928 1.00 0.00 C ATOM 0 H ALA A 82 2.370 8.293 -3.245 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.373 9.231 -2.802 1.00 0.00 H new ATOM 0 HB1 ALA A 82 0.782 11.065 -1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.345 9.483 -1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.352 10.422 -2.202 1.00 0.00 H new ATOM 1251 N PHE A 83 -0.663 10.502 -4.856 1.00 0.00 N ATOM 1252 CA PHE A 83 -0.900 11.334 -6.024 1.00 0.00 C ATOM 1253 C PHE A 83 -1.916 12.436 -5.714 1.00 0.00 C ATOM 1254 O PHE A 83 -2.955 12.175 -5.109 1.00 0.00 O ATOM 1255 CB PHE A 83 -1.470 10.424 -7.113 1.00 0.00 C ATOM 1256 CG PHE A 83 -2.838 9.828 -6.775 1.00 0.00 C ATOM 1257 CD1 PHE A 83 -3.951 10.607 -6.830 1.00 0.00 C ATOM 1258 CD2 PHE A 83 -2.940 8.519 -6.419 1.00 0.00 C ATOM 1259 CE1 PHE A 83 -5.221 10.054 -6.515 1.00 0.00 C ATOM 1260 CE2 PHE A 83 -4.210 7.966 -6.105 1.00 0.00 C ATOM 1261 CZ PHE A 83 -5.323 8.746 -6.159 1.00 0.00 C ATOM 0 H PHE A 83 -1.493 10.036 -4.489 1.00 0.00 H new ATOM 0 HA PHE A 83 0.029 11.810 -6.337 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.552 10.992 -8.040 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.767 9.612 -7.298 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.870 11.646 -7.113 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.056 7.901 -6.375 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -6.105 10.673 -6.558 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.292 6.927 -5.823 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.289 8.326 -5.919 1.00 0.00 H new ATOM 1271 N ALA A 84 -1.580 13.643 -6.143 1.00 0.00 N ATOM 1272 CA ALA A 84 -2.450 14.786 -5.920 1.00 0.00 C ATOM 1273 C ALA A 84 -2.928 15.329 -7.268 1.00 0.00 C ATOM 1274 O ALA A 84 -2.173 15.991 -7.978 1.00 0.00 O ATOM 1275 CB ALA A 84 -1.706 15.840 -5.097 1.00 0.00 C ATOM 0 H ALA A 84 -0.717 13.855 -6.644 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.333 14.492 -5.352 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.358 16.697 -4.929 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.414 15.413 -4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.815 16.161 -5.637 1.00 0.00 H new ATOM 1281 N GLY A 85 -4.180 15.028 -7.580 1.00 0.00 N ATOM 1282 CA GLY A 85 -4.768 15.478 -8.830 1.00 0.00 C ATOM 1283 C GLY A 85 -3.695 15.667 -9.904 1.00 0.00 C ATOM 1284 O GLY A 85 -3.110 16.743 -10.019 1.00 0.00 O ATOM 0 H GLY A 85 -4.803 14.478 -6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.505 14.751 -9.171 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.297 16.418 -8.670 1.00 0.00 H new ATOM 1288 N SER A 86 -3.470 14.605 -10.664 1.00 0.00 N ATOM 1289 CA SER A 86 -2.477 14.641 -11.724 1.00 0.00 C ATOM 1290 C SER A 86 -1.117 14.195 -11.184 1.00 0.00 C ATOM 1291 O SER A 86 -0.538 13.227 -11.674 1.00 0.00 O ATOM 1292 CB SER A 86 -2.373 16.040 -12.334 1.00 0.00 C ATOM 1293 OG SER A 86 -2.042 15.996 -13.719 1.00 0.00 O ATOM 0 H SER A 86 -3.958 13.715 -10.567 1.00 0.00 H new ATOM 0 HA SER A 86 -2.791 13.954 -12.510 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.320 16.563 -12.204 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.616 16.613 -11.799 1.00 0.00 H new ATOM 0 HG SER A 86 -1.987 16.909 -14.071 1.00 0.00 H new ATOM 1299 N PHE A 87 -0.648 14.922 -10.181 1.00 0.00 N ATOM 1300 CA PHE A 87 0.633 14.613 -9.568 1.00 0.00 C ATOM 1301 C PHE A 87 0.650 13.183 -9.024 1.00 0.00 C ATOM 1302 O PHE A 87 -0.232 12.796 -8.259 1.00 0.00 O ATOM 1303 CB PHE A 87 0.821 15.591 -8.406 1.00 0.00 C ATOM 1304 CG PHE A 87 1.269 16.989 -8.836 1.00 0.00 C ATOM 1305 CD1 PHE A 87 0.895 17.481 -10.047 1.00 0.00 C ATOM 1306 CD2 PHE A 87 2.042 17.740 -8.006 1.00 0.00 C ATOM 1307 CE1 PHE A 87 1.310 18.779 -10.446 1.00 0.00 C ATOM 1308 CE2 PHE A 87 2.458 19.038 -8.405 1.00 0.00 C ATOM 1309 CZ PHE A 87 2.083 19.530 -9.616 1.00 0.00 C ATOM 0 H PHE A 87 -1.132 15.724 -9.777 1.00 0.00 H new ATOM 0 HA PHE A 87 1.430 14.701 -10.307 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.118 15.674 -7.859 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.558 15.181 -7.715 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.282 16.884 -10.706 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.339 17.349 -7.044 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.012 19.170 -11.408 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.072 19.634 -7.747 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.399 20.517 -9.919 1.00 0.00 H new ATOM 1319 N VAL A 88 1.664 12.438 -9.439 1.00 0.00 N ATOM 1320 CA VAL A 88 1.808 11.059 -9.003 1.00 0.00 C ATOM 1321 C VAL A 88 3.181 10.875 -8.355 1.00 0.00 C ATOM 1322 O VAL A 88 4.200 10.868 -9.043 1.00 0.00 O ATOM 1323 CB VAL A 88 1.569 10.111 -10.180 1.00 0.00 C ATOM 1324 CG1 VAL A 88 2.148 8.724 -9.891 1.00 0.00 C ATOM 1325 CG2 VAL A 88 0.081 10.023 -10.521 1.00 0.00 C ATOM 0 H VAL A 88 2.394 12.763 -10.073 1.00 0.00 H new ATOM 0 HA VAL A 88 1.059 10.815 -8.250 1.00 0.00 H new ATOM 0 HB VAL A 88 2.087 10.518 -11.048 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.965 8.069 -10.743 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.221 8.806 -9.720 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.670 8.308 -9.004 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.060 9.343 -11.361 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.469 9.651 -9.656 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.290 11.012 -10.789 1.00 0.00 H new ATOM 1335 N SER A 89 3.163 10.729 -7.038 1.00 0.00 N ATOM 1336 CA SER A 89 4.395 10.544 -6.289 1.00 0.00 C ATOM 1337 C SER A 89 4.920 9.121 -6.488 1.00 0.00 C ATOM 1338 O SER A 89 4.209 8.260 -7.004 1.00 0.00 O ATOM 1339 CB SER A 89 4.182 10.829 -4.801 1.00 0.00 C ATOM 1340 OG SER A 89 3.521 9.752 -4.141 1.00 0.00 O ATOM 0 H SER A 89 2.315 10.735 -6.471 1.00 0.00 H new ATOM 0 HA SER A 89 5.134 11.252 -6.665 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.146 11.009 -4.325 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.594 11.740 -4.687 1.00 0.00 H new ATOM 0 HG SER A 89 4.165 9.037 -3.955 1.00 0.00 H new ATOM 1346 N ASP A 90 6.160 8.918 -6.068 1.00 0.00 N ATOM 1347 CA ASP A 90 6.789 7.614 -6.193 1.00 0.00 C ATOM 1348 C ASP A 90 6.161 6.651 -5.184 1.00 0.00 C ATOM 1349 O ASP A 90 5.652 7.076 -4.148 1.00 0.00 O ATOM 1350 CB ASP A 90 8.288 7.695 -5.900 1.00 0.00 C ATOM 1351 CG ASP A 90 9.156 8.127 -7.084 1.00 0.00 C ATOM 1352 OD1 ASP A 90 9.033 9.307 -7.477 1.00 0.00 O ATOM 1353 OD2 ASP A 90 9.923 7.267 -7.568 1.00 0.00 O ATOM 0 H ASP A 90 6.746 9.635 -5.641 1.00 0.00 H new ATOM 0 HA ASP A 90 6.640 7.264 -7.215 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.445 8.395 -5.079 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.629 6.719 -5.556 1.00 0.00 H new ATOM 1358 N PRO A 91 6.219 5.337 -5.530 1.00 0.00 N ATOM 1359 CA PRO A 91 5.662 4.310 -4.667 1.00 0.00 C ATOM 1360 C PRO A 91 6.563 4.066 -3.454 1.00 0.00 C ATOM 1361 O PRO A 91 7.629 3.465 -3.580 1.00 0.00 O ATOM 1362 CB PRO A 91 5.516 3.086 -5.555 1.00 0.00 C ATOM 1363 CG PRO A 91 6.422 3.328 -6.751 1.00 0.00 C ATOM 1364 CD PRO A 91 6.813 4.797 -6.749 1.00 0.00 C ATOM 0 HA PRO A 91 4.699 4.594 -4.242 1.00 0.00 H new ATOM 0 HB2 PRO A 91 5.806 2.180 -5.022 1.00 0.00 H new ATOM 0 HB3 PRO A 91 4.481 2.953 -5.870 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.309 2.697 -6.692 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.908 3.071 -7.677 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.896 4.918 -6.749 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.435 5.309 -7.634 1.00 0.00 H new ATOM 1372 N SER A 92 6.101 4.543 -2.308 1.00 0.00 N ATOM 1373 CA SER A 92 6.852 4.384 -1.074 1.00 0.00 C ATOM 1374 C SER A 92 7.479 2.990 -1.019 1.00 0.00 C ATOM 1375 O SER A 92 7.085 2.098 -1.770 1.00 0.00 O ATOM 1376 CB SER A 92 5.960 4.614 0.147 1.00 0.00 C ATOM 1377 OG SER A 92 4.768 3.834 0.092 1.00 0.00 O ATOM 0 H SER A 92 5.216 5.040 -2.208 1.00 0.00 H new ATOM 0 HA SER A 92 7.644 5.132 -1.057 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.514 4.366 1.052 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.699 5.670 0.212 1.00 0.00 H new ATOM 0 HG SER A 92 4.156 4.122 0.801 1.00 0.00 H new ATOM 1383 N ASN A 93 8.444 2.844 -0.123 1.00 0.00 N ATOM 1384 CA ASN A 93 9.129 1.573 0.039 1.00 0.00 C ATOM 1385 C ASN A 93 8.125 0.432 -0.135 1.00 0.00 C ATOM 1386 O ASN A 93 6.926 0.619 0.067 1.00 0.00 O ATOM 1387 CB ASN A 93 9.744 1.453 1.435 1.00 0.00 C ATOM 1388 CG ASN A 93 8.782 1.975 2.505 1.00 0.00 C ATOM 1389 OD1 ASN A 93 8.240 3.064 2.411 1.00 0.00 O ATOM 1390 ND2 ASN A 93 8.601 1.140 3.523 1.00 0.00 N ATOM 0 H ASN A 93 8.768 3.585 0.498 1.00 0.00 H new ATOM 0 HA ASN A 93 9.920 1.518 -0.709 1.00 0.00 H new ATOM 0 HB2 ASN A 93 9.990 0.411 1.639 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.677 2.015 1.475 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.977 1.396 4.288 1.00 0.00 H new ATOM 0 HD22 ASN A 93 9.086 0.243 3.539 1.00 0.00 H new ATOM 1397 N THR A 94 8.652 -0.725 -0.508 1.00 0.00 N ATOM 1398 CA THR A 94 7.816 -1.897 -0.711 1.00 0.00 C ATOM 1399 C THR A 94 7.646 -2.665 0.601 1.00 0.00 C ATOM 1400 O THR A 94 8.582 -2.763 1.393 1.00 0.00 O ATOM 1401 CB THR A 94 8.441 -2.734 -1.829 1.00 0.00 C ATOM 1402 OG1 THR A 94 8.913 -1.769 -2.764 1.00 0.00 O ATOM 1403 CG2 THR A 94 7.399 -3.535 -2.613 1.00 0.00 C ATOM 0 H THR A 94 9.647 -0.876 -0.675 1.00 0.00 H new ATOM 0 HA THR A 94 6.809 -1.616 -1.019 1.00 0.00 H new ATOM 0 HB THR A 94 9.178 -3.415 -1.403 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.335 -2.226 -3.521 1.00 0.00 H new ATOM 0 HG21 THR A 94 7.895 -4.111 -3.394 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.878 -4.213 -1.937 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.681 -2.852 -3.067 1.00 0.00 H new ATOM 1411 N ALA A 95 6.444 -3.190 0.791 1.00 0.00 N ATOM 1412 CA ALA A 95 6.139 -3.946 1.993 1.00 0.00 C ATOM 1413 C ALA A 95 5.551 -5.303 1.602 1.00 0.00 C ATOM 1414 O ALA A 95 4.904 -5.426 0.563 1.00 0.00 O ATOM 1415 CB ALA A 95 5.194 -3.134 2.881 1.00 0.00 C ATOM 0 H ALA A 95 5.670 -3.106 0.132 1.00 0.00 H new ATOM 0 HA ALA A 95 7.045 -4.134 2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.965 -3.701 3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.671 -2.193 3.155 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.272 -2.928 2.338 1.00 0.00 H new ATOM 1421 N ASN A 96 5.796 -6.287 2.454 1.00 0.00 N ATOM 1422 CA ASN A 96 5.299 -7.630 2.211 1.00 0.00 C ATOM 1423 C ASN A 96 5.071 -8.336 3.549 1.00 0.00 C ATOM 1424 O ASN A 96 5.524 -7.862 4.590 1.00 0.00 O ATOM 1425 CB ASN A 96 6.307 -8.454 1.407 1.00 0.00 C ATOM 1426 CG ASN A 96 7.607 -8.645 2.191 1.00 0.00 C ATOM 1427 OD1 ASN A 96 7.645 -8.573 3.408 1.00 0.00 O ATOM 1428 ND2 ASN A 96 8.668 -8.890 1.427 1.00 0.00 N ATOM 0 H ASN A 96 6.333 -6.181 3.315 1.00 0.00 H new ATOM 0 HA ASN A 96 4.370 -7.548 1.648 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.877 -9.426 1.166 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.518 -7.955 0.461 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.583 -9.031 1.855 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.566 -8.937 0.413 1.00 0.00 H new ATOM 1435 N VAL A 97 4.370 -9.457 3.478 1.00 0.00 N ATOM 1436 CA VAL A 97 4.077 -10.233 4.672 1.00 0.00 C ATOM 1437 C VAL A 97 4.135 -11.724 4.332 1.00 0.00 C ATOM 1438 O VAL A 97 3.584 -12.156 3.321 1.00 0.00 O ATOM 1439 CB VAL A 97 2.729 -9.806 5.256 1.00 0.00 C ATOM 1440 CG1 VAL A 97 2.438 -8.336 4.945 1.00 0.00 C ATOM 1441 CG2 VAL A 97 1.601 -10.707 4.750 1.00 0.00 C ATOM 0 H VAL A 97 3.996 -9.847 2.613 1.00 0.00 H new ATOM 0 HA VAL A 97 4.824 -10.045 5.443 1.00 0.00 H new ATOM 0 HB VAL A 97 2.784 -9.915 6.339 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.474 -8.058 5.371 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.220 -7.711 5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.413 -8.191 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.654 -10.381 5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.546 -10.645 3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.798 -11.738 5.045 1.00 0.00 H new ATOM 1451 N SER A 98 4.808 -12.469 5.197 1.00 0.00 N ATOM 1452 CA SER A 98 4.945 -13.902 5.002 1.00 0.00 C ATOM 1453 C SER A 98 3.648 -14.611 5.397 1.00 0.00 C ATOM 1454 O SER A 98 2.998 -14.228 6.368 1.00 0.00 O ATOM 1455 CB SER A 98 6.120 -14.458 5.810 1.00 0.00 C ATOM 1456 OG SER A 98 6.813 -15.485 5.106 1.00 0.00 O ATOM 0 H SER A 98 5.264 -12.107 6.034 1.00 0.00 H new ATOM 0 HA SER A 98 5.145 -14.085 3.946 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.812 -13.650 6.046 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.754 -14.852 6.758 1.00 0.00 H new ATOM 0 HG SER A 98 7.557 -15.813 5.654 1.00 0.00 H new