USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 753 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 48 ASN : amide:sc= -0.303 X(o=-0.3,f=0) USER MOD Set 1.2: A 51 LYS NZ :NH3+ 167:sc= 0.00225 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0381 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 4:sc= 0.0584 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -109:sc= 0.0477 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -120:sc= 0.392 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.987 K(o=-0.99,f=-1.9!) USER MOD Single : A 25 TYR OH : rot -30:sc= -0.801 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -64:sc= 0.0833 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 41:sc= 0.203 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.897 USER MOD Single : A 42 CYS SG : rot 72:sc= 0.514 USER MOD Single : A 43 MET CE :methyl 175:sc= 0 (180deg=-0.0331) USER MOD Single : A 44 LYS NZ :NH3+ -119:sc= -1.9 (180deg=-5.59!) USER MOD Single : A 46 HIS : no HD1:sc= -0.0582 K(o=-0.058,f=-2.2) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -109:sc= -0.519 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 66 ASN : amide:sc= 0.102 K(o=0.1,f=-1.7!) USER MOD Single : A 68 GLN : amide:sc= -1.86 X(o=-1.9,f=-2.2!) USER MOD Single : A 69 LYS NZ :NH3+ -149:sc= 0.216 (180deg=-0.552) USER MOD Single : A 72 LYS NZ :NH3+ 152:sc= 0.0754 (180deg=-0.897) USER MOD Single : A 74 HIS : no HE2:sc= -1.67 K(o=-1.7,f=-2.3) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.99 K(o=-2,f=-8.3!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= -0.103 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.564 -8.238 21.194 1.00 0.00 N ATOM 2 CA GLY A 1 6.017 -6.972 20.649 1.00 0.00 C ATOM 3 C GLY A 1 7.514 -6.782 20.794 1.00 0.00 C ATOM 4 O GLY A 1 8.268 -7.753 20.844 1.00 0.00 O ATOM 0 H1 GLY A 1 4.942 -8.709 20.506 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.385 -8.845 21.391 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.039 -8.068 22.076 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.747 -6.916 19.594 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.500 -6.156 21.154 1.00 0.00 H new ATOM 8 N SER A 2 7.946 -5.526 20.859 1.00 0.00 N ATOM 9 CA SER A 2 9.364 -5.212 20.992 1.00 0.00 C ATOM 10 C SER A 2 9.641 -4.507 22.317 1.00 0.00 C ATOM 11 O SER A 2 9.177 -3.391 22.548 1.00 0.00 O ATOM 12 CB SER A 2 9.825 -4.333 19.828 1.00 0.00 C ATOM 13 OG SER A 2 10.036 -5.105 18.659 1.00 0.00 O ATOM 0 H SER A 2 7.335 -4.710 20.822 1.00 0.00 H new ATOM 0 HA SER A 2 9.922 -6.148 20.974 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.078 -3.565 19.630 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.747 -3.819 20.099 1.00 0.00 H new ATOM 0 HG SER A 2 10.328 -4.520 17.929 1.00 0.00 H new ATOM 19 N SER A 3 10.402 -5.169 23.183 1.00 0.00 N ATOM 20 CA SER A 3 10.739 -4.609 24.487 1.00 0.00 C ATOM 21 C SER A 3 11.516 -3.305 24.334 1.00 0.00 C ATOM 22 O SER A 3 11.070 -2.248 24.779 1.00 0.00 O ATOM 23 CB SER A 3 11.560 -5.612 25.299 1.00 0.00 C ATOM 24 OG SER A 3 11.723 -5.174 26.637 1.00 0.00 O ATOM 0 H SER A 3 10.796 -6.093 23.006 1.00 0.00 H new ATOM 0 HA SER A 3 9.809 -4.398 25.016 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.066 -6.584 25.289 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.537 -5.746 24.836 1.00 0.00 H new ATOM 0 HG SER A 3 12.250 -5.833 27.135 1.00 0.00 H new ATOM 30 N GLY A 4 12.682 -3.388 23.700 1.00 0.00 N ATOM 31 CA GLY A 4 13.503 -2.209 23.499 1.00 0.00 C ATOM 32 C GLY A 4 13.458 -1.708 22.069 1.00 0.00 C ATOM 33 O GLY A 4 12.410 -1.277 21.588 1.00 0.00 O ATOM 0 H GLY A 4 13.072 -4.251 23.322 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.167 -1.417 24.169 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.534 -2.438 23.768 1.00 0.00 H new ATOM 37 N SER A 5 14.598 -1.763 21.388 1.00 0.00 N ATOM 38 CA SER A 5 14.686 -1.306 20.006 1.00 0.00 C ATOM 39 C SER A 5 13.824 -0.066 19.788 1.00 0.00 C ATOM 40 O SER A 5 13.079 0.021 18.812 1.00 0.00 O ATOM 41 CB SER A 5 14.251 -2.418 19.051 1.00 0.00 C ATOM 42 OG SER A 5 14.897 -2.293 17.795 1.00 0.00 O ATOM 0 H SER A 5 15.474 -2.120 21.771 1.00 0.00 H new ATOM 0 HA SER A 5 15.724 -1.046 19.800 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.484 -3.389 19.488 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.170 -2.381 18.913 1.00 0.00 H new ATOM 0 HG SER A 5 14.603 -3.016 17.203 1.00 0.00 H new ATOM 48 N SER A 6 13.931 0.890 20.705 1.00 0.00 N ATOM 49 CA SER A 6 13.158 2.124 20.617 1.00 0.00 C ATOM 50 C SER A 6 13.942 3.203 19.876 1.00 0.00 C ATOM 51 O SER A 6 14.842 3.827 20.437 1.00 0.00 O ATOM 52 CB SER A 6 12.785 2.618 22.015 1.00 0.00 C ATOM 53 OG SER A 6 12.169 1.590 22.772 1.00 0.00 O ATOM 0 H SER A 6 14.545 0.834 21.517 1.00 0.00 H new ATOM 0 HA SER A 6 12.246 1.914 20.059 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.679 2.968 22.531 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.109 3.470 21.935 1.00 0.00 H new ATOM 0 HG SER A 6 12.170 0.757 22.255 1.00 0.00 H new ATOM 59 N GLY A 7 13.593 3.418 18.611 1.00 0.00 N ATOM 60 CA GLY A 7 14.272 4.421 17.814 1.00 0.00 C ATOM 61 C GLY A 7 13.309 5.393 17.161 1.00 0.00 C ATOM 62 O GLY A 7 12.098 5.311 17.368 1.00 0.00 O ATOM 0 H GLY A 7 12.851 2.914 18.124 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.968 4.973 18.446 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.864 3.928 17.043 1.00 0.00 H new ATOM 66 N TYR A 8 13.847 6.316 16.372 1.00 0.00 N ATOM 67 CA TYR A 8 13.027 7.310 15.690 1.00 0.00 C ATOM 68 C TYR A 8 12.477 6.757 14.378 1.00 0.00 C ATOM 69 O TYR A 8 12.333 7.484 13.395 1.00 0.00 O ATOM 70 CB TYR A 8 13.843 8.576 15.419 1.00 0.00 C ATOM 71 CG TYR A 8 14.600 8.541 14.111 1.00 0.00 C ATOM 72 CD1 TYR A 8 15.308 7.409 13.726 1.00 0.00 C ATOM 73 CD2 TYR A 8 14.608 9.639 13.261 1.00 0.00 C ATOM 74 CE1 TYR A 8 16.002 7.373 12.532 1.00 0.00 C ATOM 75 CE2 TYR A 8 15.298 9.611 12.064 1.00 0.00 C ATOM 76 CZ TYR A 8 15.994 8.476 11.705 1.00 0.00 C ATOM 77 OH TYR A 8 16.683 8.444 10.514 1.00 0.00 O ATOM 0 H TYR A 8 14.847 6.397 16.189 1.00 0.00 H new ATOM 0 HA TYR A 8 12.187 7.558 16.340 1.00 0.00 H new ATOM 0 HB2 TYR A 8 13.174 9.436 15.419 1.00 0.00 H new ATOM 0 HB3 TYR A 8 14.551 8.723 16.235 1.00 0.00 H new ATOM 0 HD1 TYR A 8 15.316 6.543 14.371 1.00 0.00 H new ATOM 0 HD2 TYR A 8 14.066 10.530 13.540 1.00 0.00 H new ATOM 0 HE1 TYR A 8 16.548 6.485 12.248 1.00 0.00 H new ATOM 0 HE2 TYR A 8 15.292 10.473 11.413 1.00 0.00 H new ATOM 0 HH TYR A 8 16.574 9.300 10.050 1.00 0.00 H new ATOM 87 N LEU A 9 12.172 5.464 14.372 1.00 0.00 N ATOM 88 CA LEU A 9 11.637 4.810 13.183 1.00 0.00 C ATOM 89 C LEU A 9 10.122 4.664 13.276 1.00 0.00 C ATOM 90 O LEU A 9 9.608 3.587 13.579 1.00 0.00 O ATOM 91 CB LEU A 9 12.282 3.436 12.998 1.00 0.00 C ATOM 92 CG LEU A 9 12.355 2.915 11.562 1.00 0.00 C ATOM 93 CD1 LEU A 9 13.641 3.373 10.893 1.00 0.00 C ATOM 94 CD2 LEU A 9 12.250 1.397 11.539 1.00 0.00 C ATOM 0 H LEU A 9 12.286 4.848 15.177 1.00 0.00 H new ATOM 0 HA LEU A 9 11.871 5.434 12.320 1.00 0.00 H new ATOM 0 HB2 LEU A 9 13.294 3.475 13.401 1.00 0.00 H new ATOM 0 HB3 LEU A 9 11.728 2.713 13.597 1.00 0.00 H new ATOM 0 HG LEU A 9 11.514 3.325 11.004 1.00 0.00 H new ATOM 0 HD11 LEU A 9 13.675 2.993 9.872 1.00 0.00 H new ATOM 0 HD12 LEU A 9 13.674 4.462 10.876 1.00 0.00 H new ATOM 0 HD13 LEU A 9 14.497 2.993 11.451 1.00 0.00 H new ATOM 0 HD21 LEU A 9 12.304 1.044 10.509 1.00 0.00 H new ATOM 0 HD22 LEU A 9 13.070 0.967 12.113 1.00 0.00 H new ATOM 0 HD23 LEU A 9 11.300 1.091 11.978 1.00 0.00 H new ATOM 106 N LYS A 10 9.410 5.755 13.013 1.00 0.00 N ATOM 107 CA LYS A 10 7.953 5.750 13.063 1.00 0.00 C ATOM 108 C LYS A 10 7.390 4.497 12.400 1.00 0.00 C ATOM 109 O LYS A 10 7.997 3.941 11.484 1.00 0.00 O ATOM 110 CB LYS A 10 7.393 6.998 12.377 1.00 0.00 C ATOM 111 CG LYS A 10 6.063 7.459 12.945 1.00 0.00 C ATOM 112 CD LYS A 10 4.893 6.815 12.220 1.00 0.00 C ATOM 113 CE LYS A 10 3.595 7.563 12.482 1.00 0.00 C ATOM 114 NZ LYS A 10 3.439 8.736 11.578 1.00 0.00 N ATOM 0 H LYS A 10 9.819 6.655 12.763 1.00 0.00 H new ATOM 0 HA LYS A 10 7.651 5.753 14.110 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.117 7.808 12.467 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.273 6.795 11.313 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.015 7.213 14.006 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.989 8.544 12.866 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.093 6.796 11.149 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.789 5.779 12.543 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.752 6.886 12.347 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.572 7.898 13.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.556 9.613 12.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.160 8.695 10.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.492 8.720 11.148 1.00 0.00 H new ATOM 128 N LEU A 11 6.227 4.057 12.868 1.00 0.00 N ATOM 129 CA LEU A 11 5.581 2.870 12.318 1.00 0.00 C ATOM 130 C LEU A 11 4.343 3.248 11.511 1.00 0.00 C ATOM 131 O LEU A 11 3.487 3.998 11.981 1.00 0.00 O ATOM 132 CB LEU A 11 5.196 1.908 13.444 1.00 0.00 C ATOM 133 CG LEU A 11 6.270 0.907 13.868 1.00 0.00 C ATOM 134 CD1 LEU A 11 6.633 -0.010 12.710 1.00 0.00 C ATOM 135 CD2 LEU A 11 7.504 1.634 14.382 1.00 0.00 C ATOM 0 H LEU A 11 5.712 4.504 13.627 1.00 0.00 H new ATOM 0 HA LEU A 11 6.289 2.376 11.652 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.912 2.497 14.316 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.312 1.352 13.133 1.00 0.00 H new ATOM 0 HG LEU A 11 5.870 0.296 14.677 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.399 -0.716 13.031 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.747 -0.558 12.388 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.013 0.585 11.880 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.258 0.905 14.679 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.906 2.271 13.594 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.233 2.247 15.241 1.00 0.00 H new ATOM 147 N VAL A 12 4.254 2.722 10.293 1.00 0.00 N ATOM 148 CA VAL A 12 3.119 3.001 9.421 1.00 0.00 C ATOM 149 C VAL A 12 2.361 1.723 9.080 1.00 0.00 C ATOM 150 O VAL A 12 2.816 0.918 8.267 1.00 0.00 O ATOM 151 CB VAL A 12 3.569 3.682 8.116 1.00 0.00 C ATOM 152 CG1 VAL A 12 2.373 3.960 7.218 1.00 0.00 C ATOM 153 CG2 VAL A 12 4.328 4.965 8.419 1.00 0.00 C ATOM 0 H VAL A 12 4.954 2.101 9.888 1.00 0.00 H new ATOM 0 HA VAL A 12 2.459 3.676 9.966 1.00 0.00 H new ATOM 0 HB VAL A 12 4.240 3.006 7.587 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.711 4.442 6.300 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.876 3.021 6.973 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.674 4.617 7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.639 5.433 7.485 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.682 5.648 8.970 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.208 4.734 9.019 1.00 0.00 H new ATOM 163 N ARG A 13 1.203 1.543 9.706 1.00 0.00 N ATOM 164 CA ARG A 13 0.381 0.363 9.469 1.00 0.00 C ATOM 165 C ARG A 13 -0.587 0.597 8.313 1.00 0.00 C ATOM 166 O ARG A 13 -1.248 1.634 8.246 1.00 0.00 O ATOM 167 CB ARG A 13 -0.397 -0.006 10.734 1.00 0.00 C ATOM 168 CG ARG A 13 0.482 -0.529 11.858 1.00 0.00 C ATOM 169 CD ARG A 13 0.978 0.600 12.748 1.00 0.00 C ATOM 170 NE ARG A 13 -0.090 1.156 13.573 1.00 0.00 N ATOM 171 CZ ARG A 13 0.123 1.803 14.714 1.00 0.00 C ATOM 172 NH1 ARG A 13 1.359 1.973 15.162 1.00 0.00 N ATOM 173 NH2 ARG A 13 -0.902 2.281 15.408 1.00 0.00 N ATOM 0 H ARG A 13 0.813 2.200 10.382 1.00 0.00 H new ATOM 0 HA ARG A 13 1.042 -0.462 9.204 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.939 0.872 11.086 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.142 -0.762 10.485 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.079 -1.246 12.457 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.334 -1.063 11.437 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.777 0.231 13.390 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.406 1.389 12.129 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.053 1.042 13.256 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.149 1.607 14.631 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.520 2.470 16.038 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.854 2.152 15.066 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.738 2.777 16.284 1.00 0.00 H new ATOM 187 N ILE A 14 -0.665 -0.372 7.408 1.00 0.00 N ATOM 188 CA ILE A 14 -1.553 -0.270 6.256 1.00 0.00 C ATOM 189 C ILE A 14 -2.444 -1.503 6.138 1.00 0.00 C ATOM 190 O ILE A 14 -1.963 -2.635 6.182 1.00 0.00 O ATOM 191 CB ILE A 14 -0.760 -0.097 4.947 1.00 0.00 C ATOM 192 CG1 ILE A 14 0.224 1.067 5.072 1.00 0.00 C ATOM 193 CG2 ILE A 14 -1.708 0.127 3.779 1.00 0.00 C ATOM 194 CD1 ILE A 14 -0.442 2.425 5.067 1.00 0.00 C ATOM 0 H ILE A 14 -0.125 -1.236 7.450 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.175 0.611 6.414 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.193 -1.009 4.760 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.793 0.954 5.995 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.938 1.018 4.250 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.132 0.248 2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.373 -0.731 3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.299 1.025 3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.316 3.203 5.159 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.988 2.559 4.133 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.135 2.493 5.905 1.00 0.00 H new ATOM 206 N TYR A 15 -3.743 -1.274 5.987 1.00 0.00 N ATOM 207 CA TYR A 15 -4.702 -2.366 5.863 1.00 0.00 C ATOM 208 C TYR A 15 -5.027 -2.642 4.398 1.00 0.00 C ATOM 209 O TYR A 15 -5.788 -1.905 3.769 1.00 0.00 O ATOM 210 CB TYR A 15 -5.984 -2.036 6.629 1.00 0.00 C ATOM 211 CG TYR A 15 -5.756 -1.738 8.093 1.00 0.00 C ATOM 212 CD1 TYR A 15 -5.432 -2.752 8.986 1.00 0.00 C ATOM 213 CD2 TYR A 15 -5.864 -0.443 8.585 1.00 0.00 C ATOM 214 CE1 TYR A 15 -5.223 -2.485 10.326 1.00 0.00 C ATOM 215 CE2 TYR A 15 -5.655 -0.166 9.922 1.00 0.00 C ATOM 216 CZ TYR A 15 -5.335 -1.190 10.788 1.00 0.00 C ATOM 217 OH TYR A 15 -5.128 -0.919 12.121 1.00 0.00 O ATOM 0 H TYR A 15 -4.157 -0.343 5.947 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.252 -3.262 6.291 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.464 -1.176 6.163 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.675 -2.874 6.541 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.342 -3.767 8.627 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.116 0.361 7.910 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.974 -3.285 11.007 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.742 0.847 10.287 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.244 0.041 12.282 1.00 0.00 H new ATOM 227 N THR A 16 -4.446 -3.710 3.861 1.00 0.00 N ATOM 228 CA THR A 16 -4.673 -4.085 2.471 1.00 0.00 C ATOM 229 C THR A 16 -6.122 -4.496 2.241 1.00 0.00 C ATOM 230 O THR A 16 -6.742 -5.130 3.096 1.00 0.00 O ATOM 231 CB THR A 16 -3.749 -5.241 2.043 1.00 0.00 C ATOM 232 OG1 THR A 16 -3.862 -5.462 0.633 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.099 -6.518 2.792 1.00 0.00 C ATOM 0 H THR A 16 -3.815 -4.331 4.368 1.00 0.00 H new ATOM 0 HA THR A 16 -4.448 -3.206 1.866 1.00 0.00 H new ATOM 0 HB THR A 16 -2.722 -4.966 2.285 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.270 -6.197 0.369 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.434 -7.321 2.474 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.984 -6.355 3.863 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.131 -6.795 2.576 1.00 0.00 H new ATOM 241 N LYS A 17 -6.659 -4.132 1.082 1.00 0.00 N ATOM 242 CA LYS A 17 -8.037 -4.464 0.738 1.00 0.00 C ATOM 243 C LYS A 17 -8.089 -5.344 -0.507 1.00 0.00 C ATOM 244 O LYS A 17 -7.901 -4.881 -1.632 1.00 0.00 O ATOM 245 CB LYS A 17 -8.849 -3.188 0.508 1.00 0.00 C ATOM 246 CG LYS A 17 -10.289 -3.448 0.101 1.00 0.00 C ATOM 247 CD LYS A 17 -11.003 -2.161 -0.277 1.00 0.00 C ATOM 248 CE LYS A 17 -11.685 -1.528 0.926 1.00 0.00 C ATOM 249 NZ LYS A 17 -13.080 -2.020 1.095 1.00 0.00 N ATOM 0 H LYS A 17 -6.161 -3.606 0.364 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.470 -5.017 1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.840 -2.592 1.421 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.363 -2.593 -0.266 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.311 -4.138 -0.742 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.819 -3.931 0.922 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.287 -1.458 -0.702 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.744 -2.368 -1.049 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.111 -1.748 1.826 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.694 -0.444 0.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.510 -1.565 1.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.635 -1.788 0.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.070 -3.051 1.231 1.00 0.00 H new ATOM 263 N PRO A 18 -8.353 -6.643 -0.304 1.00 0.00 N ATOM 264 CA PRO A 18 -8.438 -7.614 -1.399 1.00 0.00 C ATOM 265 C PRO A 18 -9.672 -7.400 -2.269 1.00 0.00 C ATOM 266 O PRO A 18 -10.508 -6.543 -1.979 1.00 0.00 O ATOM 267 CB PRO A 18 -8.522 -8.960 -0.674 1.00 0.00 C ATOM 268 CG PRO A 18 -9.098 -8.635 0.661 1.00 0.00 C ATOM 269 CD PRO A 18 -8.587 -7.265 1.010 1.00 0.00 C ATOM 0 HA PRO A 18 -7.592 -7.534 -2.081 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.153 -9.664 -1.217 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.539 -9.421 -0.580 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.187 -8.649 0.630 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.791 -9.368 1.407 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -9.313 -6.703 1.597 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.671 -7.316 1.599 1.00 0.00 H new ATOM 277 N LYS A 19 -9.780 -8.183 -3.337 1.00 0.00 N ATOM 278 CA LYS A 19 -10.913 -8.080 -4.249 1.00 0.00 C ATOM 279 C LYS A 19 -12.073 -8.951 -3.777 1.00 0.00 C ATOM 280 O LYS A 19 -11.901 -10.140 -3.511 1.00 0.00 O ATOM 281 CB LYS A 19 -10.495 -8.492 -5.663 1.00 0.00 C ATOM 282 CG LYS A 19 -10.389 -9.996 -5.852 1.00 0.00 C ATOM 283 CD LYS A 19 -11.703 -10.591 -6.329 1.00 0.00 C ATOM 284 CE LYS A 19 -11.627 -12.108 -6.420 1.00 0.00 C ATOM 285 NZ LYS A 19 -11.696 -12.749 -5.078 1.00 0.00 N ATOM 0 H LYS A 19 -9.097 -8.896 -3.592 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.243 -7.041 -4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.217 -8.095 -6.377 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.533 -8.036 -5.896 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.604 -10.219 -6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.097 -10.462 -4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.502 -10.306 -5.645 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.957 -10.179 -7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.444 -12.476 -7.040 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.698 -12.396 -6.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.831 -13.302 -4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.783 -12.015 -4.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.522 -13.379 -5.036 1.00 0.00 H new ATOM 299 N GLY A 20 -13.255 -8.351 -3.675 1.00 0.00 N ATOM 300 CA GLY A 20 -14.426 -9.087 -3.236 1.00 0.00 C ATOM 301 C GLY A 20 -14.512 -9.193 -1.726 1.00 0.00 C ATOM 302 O GLY A 20 -15.582 -9.012 -1.146 1.00 0.00 O ATOM 0 H GLY A 20 -13.422 -7.368 -3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.323 -8.596 -3.614 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.405 -10.088 -3.667 1.00 0.00 H new ATOM 306 N GLN A 21 -13.383 -9.487 -1.090 1.00 0.00 N ATOM 307 CA GLN A 21 -13.336 -9.619 0.362 1.00 0.00 C ATOM 308 C GLN A 21 -12.975 -8.290 1.017 1.00 0.00 C ATOM 309 O GLN A 21 -12.569 -7.343 0.343 1.00 0.00 O ATOM 310 CB GLN A 21 -12.325 -10.692 0.766 1.00 0.00 C ATOM 311 CG GLN A 21 -12.855 -12.110 0.630 1.00 0.00 C ATOM 312 CD GLN A 21 -14.209 -12.292 1.289 1.00 0.00 C ATOM 313 OE1 GLN A 21 -15.240 -11.918 0.730 1.00 0.00 O ATOM 314 NE2 GLN A 21 -14.212 -12.871 2.484 1.00 0.00 N ATOM 0 H GLN A 21 -12.489 -9.638 -1.557 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.326 -9.916 0.707 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.431 -10.587 0.151 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.023 -10.524 1.800 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -12.932 -12.365 -0.427 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -12.142 -12.805 1.075 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -13.333 -13.165 2.910 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -15.093 -13.021 2.976 1.00 0.00 H new ATOM 323 N LEU A 22 -13.126 -8.226 2.336 1.00 0.00 N ATOM 324 CA LEU A 22 -12.815 -7.013 3.084 1.00 0.00 C ATOM 325 C LEU A 22 -11.337 -6.966 3.456 1.00 0.00 C ATOM 326 O LEU A 22 -10.654 -7.989 3.518 1.00 0.00 O ATOM 327 CB LEU A 22 -13.674 -6.936 4.347 1.00 0.00 C ATOM 328 CG LEU A 22 -15.069 -6.335 4.175 1.00 0.00 C ATOM 329 CD1 LEU A 22 -15.964 -6.720 5.343 1.00 0.00 C ATOM 330 CD2 LEU A 22 -14.986 -4.821 4.041 1.00 0.00 C ATOM 0 H LEU A 22 -13.462 -9.000 2.909 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.037 -6.156 2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.781 -7.943 4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.137 -6.349 5.092 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.506 -6.737 3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -16.953 -6.283 5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -16.051 -7.805 5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -15.531 -6.348 6.271 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -15.989 -4.411 3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -14.528 -4.401 4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.381 -4.565 3.171 1.00 0.00 H new ATOM 342 N PRO A 23 -10.829 -5.751 3.711 1.00 0.00 N ATOM 343 CA PRO A 23 -9.427 -5.541 4.084 1.00 0.00 C ATOM 344 C PRO A 23 -9.113 -6.074 5.478 1.00 0.00 C ATOM 345 O PRO A 23 -9.880 -5.869 6.419 1.00 0.00 O ATOM 346 CB PRO A 23 -9.274 -4.019 4.046 1.00 0.00 C ATOM 347 CG PRO A 23 -10.647 -3.494 4.282 1.00 0.00 C ATOM 348 CD PRO A 23 -11.585 -4.488 3.655 1.00 0.00 C ATOM 0 HA PRO A 23 -8.744 -6.068 3.418 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.580 -3.672 4.812 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.882 -3.684 3.086 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -10.846 -3.389 5.348 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.769 -2.507 3.836 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.524 -4.557 4.204 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.835 -4.214 2.630 1.00 0.00 H new ATOM 356 N ASP A 24 -7.980 -6.757 5.604 1.00 0.00 N ATOM 357 CA ASP A 24 -7.563 -7.317 6.884 1.00 0.00 C ATOM 358 C ASP A 24 -7.263 -6.210 7.890 1.00 0.00 C ATOM 359 O ASP A 24 -6.840 -5.116 7.516 1.00 0.00 O ATOM 360 CB ASP A 24 -6.331 -8.204 6.700 1.00 0.00 C ATOM 361 CG ASP A 24 -6.694 -9.630 6.332 1.00 0.00 C ATOM 362 OD1 ASP A 24 -7.627 -10.182 6.950 1.00 0.00 O ATOM 363 OD2 ASP A 24 -6.044 -10.193 5.426 1.00 0.00 O ATOM 0 H ASP A 24 -7.334 -6.936 4.835 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.382 -7.923 7.271 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.696 -7.781 5.922 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.748 -8.207 7.621 1.00 0.00 H new ATOM 368 N TYR A 25 -7.484 -6.502 9.167 1.00 0.00 N ATOM 369 CA TYR A 25 -7.240 -5.530 10.226 1.00 0.00 C ATOM 370 C TYR A 25 -6.375 -6.132 11.329 1.00 0.00 C ATOM 371 O TYR A 25 -5.598 -5.432 11.978 1.00 0.00 O ATOM 372 CB TYR A 25 -8.565 -5.040 10.812 1.00 0.00 C ATOM 373 CG TYR A 25 -9.599 -4.692 9.765 1.00 0.00 C ATOM 374 CD1 TYR A 25 -9.367 -3.681 8.840 1.00 0.00 C ATOM 375 CD2 TYR A 25 -10.808 -5.373 9.700 1.00 0.00 C ATOM 376 CE1 TYR A 25 -10.308 -3.360 7.882 1.00 0.00 C ATOM 377 CE2 TYR A 25 -11.755 -5.059 8.745 1.00 0.00 C ATOM 378 CZ TYR A 25 -11.500 -4.052 7.838 1.00 0.00 C ATOM 379 OH TYR A 25 -12.442 -3.735 6.885 1.00 0.00 O ATOM 0 H TYR A 25 -7.832 -7.404 9.494 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.707 -4.684 9.792 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -8.970 -5.811 11.468 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.377 -4.162 11.430 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.435 -3.137 8.871 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.011 -6.162 10.409 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.112 -2.571 7.171 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -12.690 -5.599 8.709 1.00 0.00 H new ATOM 0 HH TYR A 25 -12.372 -2.784 6.660 1.00 0.00 H new ATOM 389 N THR A 26 -6.516 -7.438 11.536 1.00 0.00 N ATOM 390 CA THR A 26 -5.749 -8.137 12.559 1.00 0.00 C ATOM 391 C THR A 26 -4.347 -8.471 12.064 1.00 0.00 C ATOM 392 O THR A 26 -3.391 -8.486 12.839 1.00 0.00 O ATOM 393 CB THR A 26 -6.450 -9.437 12.997 1.00 0.00 C ATOM 394 OG1 THR A 26 -5.672 -10.098 14.002 1.00 0.00 O ATOM 395 CG2 THR A 26 -6.653 -10.368 11.811 1.00 0.00 C ATOM 0 H THR A 26 -7.155 -8.033 11.008 1.00 0.00 H new ATOM 0 HA THR A 26 -5.678 -7.465 13.414 1.00 0.00 H new ATOM 0 HB THR A 26 -7.426 -9.178 13.406 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.125 -10.923 14.276 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.150 -11.279 12.145 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.269 -9.873 11.061 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.686 -10.620 11.377 1.00 0.00 H new ATOM 403 N SER A 27 -4.230 -8.738 10.767 1.00 0.00 N ATOM 404 CA SER A 27 -2.944 -9.075 10.168 1.00 0.00 C ATOM 405 C SER A 27 -2.524 -8.018 9.152 1.00 0.00 C ATOM 406 O SER A 27 -2.293 -8.306 7.978 1.00 0.00 O ATOM 407 CB SER A 27 -3.016 -10.447 9.494 1.00 0.00 C ATOM 408 OG SER A 27 -1.728 -10.889 9.099 1.00 0.00 O ATOM 0 H SER A 27 -5.011 -8.727 10.111 1.00 0.00 H new ATOM 0 HA SER A 27 -2.198 -9.107 10.962 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.458 -11.170 10.180 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.669 -10.394 8.623 1.00 0.00 H new ATOM 0 HG SER A 27 -1.370 -10.285 8.415 1.00 0.00 H new ATOM 414 N PRO A 28 -2.422 -6.762 9.614 1.00 0.00 N ATOM 415 CA PRO A 28 -2.029 -5.635 8.763 1.00 0.00 C ATOM 416 C PRO A 28 -0.563 -5.706 8.348 1.00 0.00 C ATOM 417 O PRO A 28 0.155 -6.631 8.726 1.00 0.00 O ATOM 418 CB PRO A 28 -2.275 -4.415 9.654 1.00 0.00 C ATOM 419 CG PRO A 28 -2.167 -4.935 11.046 1.00 0.00 C ATOM 420 CD PRO A 28 -2.683 -6.347 11.002 1.00 0.00 C ATOM 0 HA PRO A 28 -2.588 -5.616 7.828 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.540 -3.632 9.466 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.257 -3.981 9.469 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.134 -4.908 11.394 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.752 -4.327 11.736 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.165 -6.987 11.717 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.745 -6.394 11.243 1.00 0.00 H new ATOM 428 N VAL A 29 -0.126 -4.722 7.569 1.00 0.00 N ATOM 429 CA VAL A 29 1.256 -4.672 7.104 1.00 0.00 C ATOM 430 C VAL A 29 2.026 -3.550 7.792 1.00 0.00 C ATOM 431 O VAL A 29 1.620 -2.389 7.753 1.00 0.00 O ATOM 432 CB VAL A 29 1.328 -4.469 5.579 1.00 0.00 C ATOM 433 CG1 VAL A 29 0.994 -3.031 5.215 1.00 0.00 C ATOM 434 CG2 VAL A 29 2.703 -4.856 5.055 1.00 0.00 C ATOM 0 H VAL A 29 -0.708 -3.949 7.246 1.00 0.00 H new ATOM 0 HA VAL A 29 1.711 -5.630 7.357 1.00 0.00 H new ATOM 0 HB VAL A 29 0.589 -5.118 5.108 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.050 -2.907 4.134 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.014 -2.794 5.556 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.706 -2.359 5.695 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.736 -4.706 3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.462 -4.235 5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.897 -5.904 5.282 1.00 0.00 H new ATOM 444 N VAL A 30 3.142 -3.905 8.421 1.00 0.00 N ATOM 445 CA VAL A 30 3.972 -2.928 9.116 1.00 0.00 C ATOM 446 C VAL A 30 5.156 -2.501 8.256 1.00 0.00 C ATOM 447 O VAL A 30 6.129 -3.241 8.108 1.00 0.00 O ATOM 448 CB VAL A 30 4.497 -3.488 10.452 1.00 0.00 C ATOM 449 CG1 VAL A 30 5.315 -2.436 11.186 1.00 0.00 C ATOM 450 CG2 VAL A 30 3.343 -3.976 11.315 1.00 0.00 C ATOM 0 H VAL A 30 3.492 -4.862 8.464 1.00 0.00 H new ATOM 0 HA VAL A 30 3.341 -2.062 9.316 1.00 0.00 H new ATOM 0 HB VAL A 30 5.147 -4.337 10.241 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.678 -2.849 12.127 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.163 -2.139 10.569 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.691 -1.566 11.388 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.732 -4.368 12.255 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.666 -3.147 11.520 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.803 -4.763 10.789 1.00 0.00 H new ATOM 460 N LEU A 31 5.066 -1.303 7.690 1.00 0.00 N ATOM 461 CA LEU A 31 6.131 -0.775 6.844 1.00 0.00 C ATOM 462 C LEU A 31 6.913 0.315 7.569 1.00 0.00 C ATOM 463 O LEU A 31 6.356 1.126 8.309 1.00 0.00 O ATOM 464 CB LEU A 31 5.548 -0.221 5.543 1.00 0.00 C ATOM 465 CG LEU A 31 4.636 -1.166 4.760 1.00 0.00 C ATOM 466 CD1 LEU A 31 3.919 -0.417 3.648 1.00 0.00 C ATOM 467 CD2 LEU A 31 5.436 -2.330 4.191 1.00 0.00 C ATOM 0 H LEU A 31 4.267 -0.679 7.801 1.00 0.00 H new ATOM 0 HA LEU A 31 6.814 -1.592 6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.986 0.683 5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.373 0.075 4.895 1.00 0.00 H new ATOM 0 HG LEU A 31 3.887 -1.565 5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.275 -1.106 3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.314 0.381 4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.653 0.011 2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.771 -2.992 3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.208 -1.949 3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.903 -2.883 5.006 1.00 0.00 H new ATOM 479 N PRO A 32 8.237 0.339 7.351 1.00 0.00 N ATOM 480 CA PRO A 32 9.124 1.326 7.973 1.00 0.00 C ATOM 481 C PRO A 32 8.908 2.730 7.417 1.00 0.00 C ATOM 482 O PRO A 32 8.975 2.945 6.206 1.00 0.00 O ATOM 483 CB PRO A 32 10.524 0.819 7.617 1.00 0.00 C ATOM 484 CG PRO A 32 10.334 0.025 6.372 1.00 0.00 C ATOM 485 CD PRO A 32 8.969 -0.597 6.481 1.00 0.00 C ATOM 0 HA PRO A 32 8.948 1.414 9.045 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.216 1.646 7.457 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.939 0.207 8.418 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.404 0.661 5.489 1.00 0.00 H new ATOM 0 HG3 PRO A 32 11.105 -0.740 6.276 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.493 -0.695 5.505 1.00 0.00 H new ATOM 0 HD3 PRO A 32 9.016 -1.596 6.915 1.00 0.00 H new ATOM 493 N TYR A 33 8.651 3.681 8.308 1.00 0.00 N ATOM 494 CA TYR A 33 8.423 5.064 7.905 1.00 0.00 C ATOM 495 C TYR A 33 9.439 5.499 6.852 1.00 0.00 C ATOM 496 O TYR A 33 9.076 5.835 5.725 1.00 0.00 O ATOM 497 CB TYR A 33 8.503 5.990 9.120 1.00 0.00 C ATOM 498 CG TYR A 33 7.855 7.338 8.897 1.00 0.00 C ATOM 499 CD1 TYR A 33 6.482 7.502 9.041 1.00 0.00 C ATOM 500 CD2 TYR A 33 8.613 8.446 8.542 1.00 0.00 C ATOM 501 CE1 TYR A 33 5.885 8.731 8.838 1.00 0.00 C ATOM 502 CE2 TYR A 33 8.025 9.679 8.339 1.00 0.00 C ATOM 503 CZ TYR A 33 6.661 9.817 8.488 1.00 0.00 C ATOM 504 OH TYR A 33 6.070 11.043 8.284 1.00 0.00 O ATOM 0 H TYR A 33 8.595 3.520 9.314 1.00 0.00 H new ATOM 0 HA TYR A 33 7.426 5.130 7.471 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.025 5.503 9.970 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.550 6.139 9.385 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.872 6.654 9.316 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.681 8.342 8.423 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.817 8.841 8.953 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.630 10.531 8.065 1.00 0.00 H new ATOM 0 HH TYR A 33 6.756 11.701 8.045 1.00 0.00 H new ATOM 514 N SER A 34 10.713 5.488 7.229 1.00 0.00 N ATOM 515 CA SER A 34 11.782 5.884 6.320 1.00 0.00 C ATOM 516 C SER A 34 11.466 5.454 4.890 1.00 0.00 C ATOM 517 O SER A 34 11.790 6.158 3.933 1.00 0.00 O ATOM 518 CB SER A 34 13.112 5.273 6.766 1.00 0.00 C ATOM 519 OG SER A 34 13.107 3.865 6.602 1.00 0.00 O ATOM 0 H SER A 34 11.030 5.209 8.157 1.00 0.00 H new ATOM 0 HA SER A 34 11.863 6.971 6.345 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.927 5.707 6.187 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.297 5.520 7.811 1.00 0.00 H new ATOM 0 HG SER A 34 13.968 3.499 6.892 1.00 0.00 H new ATOM 525 N ARG A 35 10.832 4.295 4.754 1.00 0.00 N ATOM 526 CA ARG A 35 10.473 3.770 3.442 1.00 0.00 C ATOM 527 C ARG A 35 9.000 3.375 3.399 1.00 0.00 C ATOM 528 O ARG A 35 8.635 2.252 3.751 1.00 0.00 O ATOM 529 CB ARG A 35 11.346 2.562 3.096 1.00 0.00 C ATOM 530 CG ARG A 35 12.796 2.919 2.816 1.00 0.00 C ATOM 531 CD ARG A 35 12.998 3.334 1.366 1.00 0.00 C ATOM 532 NE ARG A 35 12.744 4.757 1.164 1.00 0.00 N ATOM 533 CZ ARG A 35 13.569 5.716 1.569 1.00 0.00 C ATOM 534 NH1 ARG A 35 14.696 5.405 2.195 1.00 0.00 N ATOM 535 NH2 ARG A 35 13.268 6.989 1.348 1.00 0.00 N ATOM 0 H ARG A 35 10.556 3.701 5.536 1.00 0.00 H new ATOM 0 HA ARG A 35 10.643 4.555 2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.309 1.850 3.920 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.929 2.061 2.222 1.00 0.00 H new ATOM 0 HG2 ARG A 35 13.106 3.731 3.474 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.433 2.064 3.043 1.00 0.00 H new ATOM 0 HD2 ARG A 35 14.018 3.101 1.061 1.00 0.00 H new ATOM 0 HD3 ARG A 35 12.334 2.753 0.727 1.00 0.00 H new ATOM 0 HE ARG A 35 11.886 5.030 0.685 1.00 0.00 H new ATOM 0 HH11 ARG A 35 14.931 4.427 2.367 1.00 0.00 H new ATOM 0 HH12 ARG A 35 15.328 6.143 2.505 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.402 7.232 0.867 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.902 7.725 1.659 1.00 0.00 H new ATOM 549 N THR A 36 8.155 4.306 2.966 1.00 0.00 N ATOM 550 CA THR A 36 6.722 4.056 2.878 1.00 0.00 C ATOM 551 C THR A 36 6.158 4.550 1.551 1.00 0.00 C ATOM 552 O THR A 36 6.158 5.750 1.272 1.00 0.00 O ATOM 553 CB THR A 36 5.962 4.738 4.032 1.00 0.00 C ATOM 554 OG1 THR A 36 6.383 6.100 4.159 1.00 0.00 O ATOM 555 CG2 THR A 36 6.198 4.004 5.343 1.00 0.00 C ATOM 0 H THR A 36 8.439 5.240 2.671 1.00 0.00 H new ATOM 0 HA THR A 36 6.584 2.977 2.949 1.00 0.00 H new ATOM 0 HB THR A 36 4.897 4.708 3.804 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.486 6.495 3.268 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.652 4.503 6.143 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.849 2.976 5.252 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.263 4.006 5.575 1.00 0.00 H new ATOM 563 N THR A 37 5.676 3.618 0.734 1.00 0.00 N ATOM 564 CA THR A 37 5.110 3.959 -0.564 1.00 0.00 C ATOM 565 C THR A 37 4.351 2.779 -1.160 1.00 0.00 C ATOM 566 O THR A 37 4.610 1.625 -0.818 1.00 0.00 O ATOM 567 CB THR A 37 6.202 4.405 -1.555 1.00 0.00 C ATOM 568 OG1 THR A 37 7.434 3.739 -1.257 1.00 0.00 O ATOM 569 CG2 THR A 37 6.406 5.911 -1.494 1.00 0.00 C ATOM 0 H THR A 37 5.667 2.621 0.949 1.00 0.00 H new ATOM 0 HA THR A 37 4.420 4.786 -0.399 1.00 0.00 H new ATOM 0 HB THR A 37 5.879 4.139 -2.562 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.123 4.026 -1.892 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.182 6.202 -2.202 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.474 6.415 -1.749 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.709 6.197 -0.487 1.00 0.00 H new ATOM 577 N VAL A 38 3.412 3.075 -2.054 1.00 0.00 N ATOM 578 CA VAL A 38 2.616 2.037 -2.699 1.00 0.00 C ATOM 579 C VAL A 38 3.499 0.899 -3.198 1.00 0.00 C ATOM 580 O VAL A 38 3.134 -0.272 -3.096 1.00 0.00 O ATOM 581 CB VAL A 38 1.809 2.603 -3.882 1.00 0.00 C ATOM 582 CG1 VAL A 38 1.123 1.481 -4.646 1.00 0.00 C ATOM 583 CG2 VAL A 38 0.794 3.625 -3.394 1.00 0.00 C ATOM 0 H VAL A 38 3.184 4.025 -2.348 1.00 0.00 H new ATOM 0 HA VAL A 38 1.925 1.654 -1.948 1.00 0.00 H new ATOM 0 HB VAL A 38 2.498 3.105 -4.562 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.558 1.900 -5.478 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.874 0.790 -5.029 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.445 0.948 -3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.233 4.015 -4.243 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.108 3.150 -2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.313 4.444 -2.896 1.00 0.00 H new ATOM 593 N GLU A 39 4.661 1.251 -3.738 1.00 0.00 N ATOM 594 CA GLU A 39 5.596 0.257 -4.253 1.00 0.00 C ATOM 595 C GLU A 39 6.213 -0.551 -3.115 1.00 0.00 C ATOM 596 O GLU A 39 6.327 -1.774 -3.198 1.00 0.00 O ATOM 597 CB GLU A 39 6.699 0.936 -5.068 1.00 0.00 C ATOM 598 CG GLU A 39 7.497 1.960 -4.278 1.00 0.00 C ATOM 599 CD GLU A 39 8.702 2.475 -5.041 1.00 0.00 C ATOM 600 OE1 GLU A 39 9.372 1.661 -5.710 1.00 0.00 O ATOM 601 OE2 GLU A 39 8.974 3.692 -4.969 1.00 0.00 O ATOM 0 H GLU A 39 4.978 2.216 -3.830 1.00 0.00 H new ATOM 0 HA GLU A 39 5.043 -0.424 -4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.379 0.174 -5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.251 1.425 -5.933 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.850 2.798 -4.019 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.829 1.512 -3.341 1.00 0.00 H new ATOM 608 N ASP A 40 6.611 0.142 -2.054 1.00 0.00 N ATOM 609 CA ASP A 40 7.217 -0.510 -0.898 1.00 0.00 C ATOM 610 C ASP A 40 6.325 -1.633 -0.379 1.00 0.00 C ATOM 611 O ASP A 40 6.810 -2.697 0.006 1.00 0.00 O ATOM 612 CB ASP A 40 7.474 0.510 0.212 1.00 0.00 C ATOM 613 CG ASP A 40 8.682 1.382 -0.070 1.00 0.00 C ATOM 614 OD1 ASP A 40 9.541 0.963 -0.874 1.00 0.00 O ATOM 615 OD2 ASP A 40 8.769 2.483 0.513 1.00 0.00 O ATOM 0 H ASP A 40 6.525 1.155 -1.970 1.00 0.00 H new ATOM 0 HA ASP A 40 8.168 -0.941 -1.211 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.594 1.142 0.332 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.621 -0.014 1.156 1.00 0.00 H new ATOM 620 N PHE A 41 5.019 -1.388 -0.369 1.00 0.00 N ATOM 621 CA PHE A 41 4.059 -2.378 0.105 1.00 0.00 C ATOM 622 C PHE A 41 4.005 -3.578 -0.835 1.00 0.00 C ATOM 623 O PHE A 41 4.089 -4.726 -0.399 1.00 0.00 O ATOM 624 CB PHE A 41 2.669 -1.751 0.232 1.00 0.00 C ATOM 625 CG PHE A 41 1.575 -2.758 0.447 1.00 0.00 C ATOM 626 CD1 PHE A 41 1.207 -3.628 -0.566 1.00 0.00 C ATOM 627 CD2 PHE A 41 0.914 -2.833 1.663 1.00 0.00 C ATOM 628 CE1 PHE A 41 0.201 -4.556 -0.372 1.00 0.00 C ATOM 629 CE2 PHE A 41 -0.092 -3.759 1.863 1.00 0.00 C ATOM 630 CZ PHE A 41 -0.450 -4.621 0.845 1.00 0.00 C ATOM 0 H PHE A 41 4.601 -0.512 -0.684 1.00 0.00 H new ATOM 0 HA PHE A 41 4.385 -2.723 1.086 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.672 -1.046 1.063 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.453 -1.179 -0.670 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.712 -3.581 -1.519 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.188 -2.161 2.463 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.076 -5.229 -1.170 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.598 -3.809 2.816 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.237 -5.344 1.000 1.00 0.00 H new ATOM 640 N CYS A 42 3.864 -3.303 -2.127 1.00 0.00 N ATOM 641 CA CYS A 42 3.797 -4.359 -3.131 1.00 0.00 C ATOM 642 C CYS A 42 4.927 -5.365 -2.938 1.00 0.00 C ATOM 643 O CYS A 42 4.785 -6.543 -3.263 1.00 0.00 O ATOM 644 CB CYS A 42 3.865 -3.761 -4.537 1.00 0.00 C ATOM 645 SG CYS A 42 2.415 -2.782 -4.994 1.00 0.00 S ATOM 0 H CYS A 42 3.794 -2.358 -2.504 1.00 0.00 H new ATOM 0 HA CYS A 42 2.847 -4.880 -3.012 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.752 -3.132 -4.610 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.987 -4.569 -5.258 1.00 0.00 H new ATOM 0 HG CYS A 42 2.421 -1.662 -4.333 1.00 0.00 H new ATOM 651 N MET A 43 6.050 -4.891 -2.408 1.00 0.00 N ATOM 652 CA MET A 43 7.205 -5.749 -2.172 1.00 0.00 C ATOM 653 C MET A 43 6.894 -6.800 -1.111 1.00 0.00 C ATOM 654 O MET A 43 7.278 -7.963 -1.242 1.00 0.00 O ATOM 655 CB MET A 43 8.410 -4.912 -1.740 1.00 0.00 C ATOM 656 CG MET A 43 8.996 -4.067 -2.859 1.00 0.00 C ATOM 657 SD MET A 43 9.734 -5.063 -4.168 1.00 0.00 S ATOM 658 CE MET A 43 9.015 -4.300 -5.620 1.00 0.00 C ATOM 0 H MET A 43 6.184 -3.918 -2.134 1.00 0.00 H new ATOM 0 HA MET A 43 7.443 -6.260 -3.105 1.00 0.00 H new ATOM 0 HB2 MET A 43 8.113 -4.258 -0.920 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.184 -5.576 -1.354 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.212 -3.439 -3.283 1.00 0.00 H new ATOM 0 HG3 MET A 43 9.752 -3.398 -2.447 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.444 -4.748 -6.516 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.936 -4.456 -5.617 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.227 -3.231 -5.612 1.00 0.00 H new ATOM 668 N LYS A 44 6.197 -6.384 -0.059 1.00 0.00 N ATOM 669 CA LYS A 44 5.834 -7.288 1.025 1.00 0.00 C ATOM 670 C LYS A 44 5.120 -8.524 0.486 1.00 0.00 C ATOM 671 O LYS A 44 5.259 -9.619 1.032 1.00 0.00 O ATOM 672 CB LYS A 44 4.938 -6.570 2.037 1.00 0.00 C ATOM 673 CG LYS A 44 5.710 -5.847 3.127 1.00 0.00 C ATOM 674 CD LYS A 44 6.228 -6.813 4.179 1.00 0.00 C ATOM 675 CE LYS A 44 6.342 -6.145 5.541 1.00 0.00 C ATOM 676 NZ LYS A 44 5.086 -6.276 6.329 1.00 0.00 N ATOM 0 H LYS A 44 5.872 -5.425 0.066 1.00 0.00 H new ATOM 0 HA LYS A 44 6.751 -7.606 1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.312 -5.851 1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.270 -7.297 2.498 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.547 -5.307 2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.066 -5.105 3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.559 -7.671 4.248 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.204 -7.193 3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.167 -6.591 6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.580 -5.089 5.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.705 -5.330 6.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.388 -6.820 5.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.286 -6.770 7.222 1.00 0.00 H new ATOM 690 N ILE A 45 4.359 -8.341 -0.588 1.00 0.00 N ATOM 691 CA ILE A 45 3.627 -9.442 -1.201 1.00 0.00 C ATOM 692 C ILE A 45 4.512 -10.218 -2.171 1.00 0.00 C ATOM 693 O ILE A 45 4.892 -11.359 -1.905 1.00 0.00 O ATOM 694 CB ILE A 45 2.379 -8.940 -1.951 1.00 0.00 C ATOM 695 CG1 ILE A 45 1.555 -8.016 -1.053 1.00 0.00 C ATOM 696 CG2 ILE A 45 1.538 -10.115 -2.426 1.00 0.00 C ATOM 697 CD1 ILE A 45 1.191 -8.634 0.278 1.00 0.00 C ATOM 0 H ILE A 45 4.234 -7.441 -1.051 1.00 0.00 H new ATOM 0 HA ILE A 45 3.313 -10.102 -0.392 1.00 0.00 H new ATOM 0 HB ILE A 45 2.702 -8.373 -2.824 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.116 -7.098 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.641 -7.735 -1.576 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.660 -9.744 -2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.129 -10.738 -3.098 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.222 -10.707 -1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.607 -7.922 0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.602 -9.536 0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.101 -8.890 0.821 1.00 0.00 H new ATOM 709 N HIS A 46 4.838 -9.591 -3.297 1.00 0.00 N ATOM 710 CA HIS A 46 5.681 -10.222 -4.306 1.00 0.00 C ATOM 711 C HIS A 46 6.645 -9.210 -4.918 1.00 0.00 C ATOM 712 O HIS A 46 6.225 -8.215 -5.509 1.00 0.00 O ATOM 713 CB HIS A 46 4.818 -10.849 -5.402 1.00 0.00 C ATOM 714 CG HIS A 46 5.421 -12.080 -6.007 1.00 0.00 C ATOM 715 ND1 HIS A 46 6.269 -12.046 -7.094 1.00 0.00 N ATOM 716 CD2 HIS A 46 5.295 -13.385 -5.671 1.00 0.00 C ATOM 717 CE1 HIS A 46 6.637 -13.277 -7.401 1.00 0.00 C ATOM 718 NE2 HIS A 46 6.061 -14.108 -6.552 1.00 0.00 N ATOM 0 H HIS A 46 4.531 -8.647 -3.533 1.00 0.00 H new ATOM 0 HA HIS A 46 6.263 -11.005 -3.820 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.842 -11.099 -4.986 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.651 -10.112 -6.188 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.702 -13.784 -4.861 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.297 -13.556 -8.209 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.168 -15.122 -6.551 1.00 0.00 H new ATOM 727 N LYS A 47 7.940 -9.471 -4.773 1.00 0.00 N ATOM 728 CA LYS A 47 8.964 -8.584 -5.312 1.00 0.00 C ATOM 729 C LYS A 47 8.679 -8.246 -6.771 1.00 0.00 C ATOM 730 O LYS A 47 9.068 -7.186 -7.260 1.00 0.00 O ATOM 731 CB LYS A 47 10.345 -9.232 -5.188 1.00 0.00 C ATOM 732 CG LYS A 47 10.699 -9.644 -3.769 1.00 0.00 C ATOM 733 CD LYS A 47 11.839 -10.648 -3.748 1.00 0.00 C ATOM 734 CE LYS A 47 13.178 -9.976 -4.010 1.00 0.00 C ATOM 735 NZ LYS A 47 13.826 -9.520 -2.749 1.00 0.00 N ATOM 0 H LYS A 47 8.305 -10.290 -4.287 1.00 0.00 H new ATOM 0 HA LYS A 47 8.949 -7.660 -4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.384 -10.110 -5.833 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.099 -8.534 -5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.979 -8.762 -3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.823 -10.077 -3.285 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.866 -11.150 -2.781 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.663 -11.416 -4.501 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.839 -10.672 -4.527 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.033 -9.123 -4.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.736 -9.067 -2.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.207 -8.836 -2.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.988 -10.337 -2.127 1.00 0.00 H new ATOM 749 N ASN A 48 7.996 -9.153 -7.462 1.00 0.00 N ATOM 750 CA ASN A 48 7.657 -8.950 -8.866 1.00 0.00 C ATOM 751 C ASN A 48 6.184 -8.585 -9.023 1.00 0.00 C ATOM 752 O ASN A 48 5.534 -8.986 -9.989 1.00 0.00 O ATOM 753 CB ASN A 48 7.972 -10.209 -9.675 1.00 0.00 C ATOM 754 CG ASN A 48 9.462 -10.417 -9.866 1.00 0.00 C ATOM 755 OD1 ASN A 48 9.977 -10.311 -10.979 1.00 0.00 O ATOM 756 ND2 ASN A 48 10.162 -10.714 -8.777 1.00 0.00 N ATOM 0 H ASN A 48 7.666 -10.036 -7.072 1.00 0.00 H new ATOM 0 HA ASN A 48 8.259 -8.124 -9.244 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.549 -11.077 -9.170 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.490 -10.141 -10.650 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.169 -10.864 -8.843 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.693 -10.792 -7.875 1.00 0.00 H new ATOM 763 N LEU A 49 5.664 -7.823 -8.067 1.00 0.00 N ATOM 764 CA LEU A 49 4.267 -7.403 -8.099 1.00 0.00 C ATOM 765 C LEU A 49 4.132 -6.004 -8.692 1.00 0.00 C ATOM 766 O LEU A 49 3.255 -5.752 -9.519 1.00 0.00 O ATOM 767 CB LEU A 49 3.673 -7.432 -6.690 1.00 0.00 C ATOM 768 CG LEU A 49 2.297 -6.786 -6.528 1.00 0.00 C ATOM 769 CD1 LEU A 49 1.283 -7.453 -7.445 1.00 0.00 C ATOM 770 CD2 LEU A 49 1.839 -6.862 -5.079 1.00 0.00 C ATOM 0 H LEU A 49 6.188 -7.483 -7.261 1.00 0.00 H new ATOM 0 HA LEU A 49 3.718 -8.100 -8.732 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.605 -8.471 -6.368 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.368 -6.934 -6.014 1.00 0.00 H new ATOM 0 HG LEU A 49 2.375 -5.736 -6.809 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.309 -6.980 -7.316 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.604 -7.346 -8.481 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.208 -8.511 -7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.858 -6.397 -4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.778 -7.906 -4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.553 -6.337 -4.444 1.00 0.00 H new ATOM 782 N ILE A 50 5.007 -5.100 -8.265 1.00 0.00 N ATOM 783 CA ILE A 50 4.987 -3.728 -8.756 1.00 0.00 C ATOM 784 C ILE A 50 4.891 -3.690 -10.278 1.00 0.00 C ATOM 785 O ILE A 50 4.348 -2.747 -10.854 1.00 0.00 O ATOM 786 CB ILE A 50 6.242 -2.953 -8.313 1.00 0.00 C ATOM 787 CG1 ILE A 50 6.115 -1.475 -8.688 1.00 0.00 C ATOM 788 CG2 ILE A 50 7.488 -3.559 -8.943 1.00 0.00 C ATOM 789 CD1 ILE A 50 5.327 -0.663 -7.683 1.00 0.00 C ATOM 0 H ILE A 50 5.738 -5.293 -7.580 1.00 0.00 H new ATOM 0 HA ILE A 50 4.105 -3.252 -8.326 1.00 0.00 H new ATOM 0 HB ILE A 50 6.333 -3.027 -7.229 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.112 -1.047 -8.787 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.635 -1.396 -9.664 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.367 -3.001 -8.621 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.584 -4.599 -8.631 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.406 -3.512 -10.029 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.277 0.375 -8.013 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.318 -1.066 -7.601 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.818 -0.712 -6.711 1.00 0.00 H new ATOM 801 N LYS A 51 5.420 -4.723 -10.925 1.00 0.00 N ATOM 802 CA LYS A 51 5.392 -4.811 -12.380 1.00 0.00 C ATOM 803 C LYS A 51 3.962 -4.964 -12.888 1.00 0.00 C ATOM 804 O LYS A 51 3.606 -4.425 -13.936 1.00 0.00 O ATOM 805 CB LYS A 51 6.243 -5.990 -12.856 1.00 0.00 C ATOM 806 CG LYS A 51 7.718 -5.849 -12.525 1.00 0.00 C ATOM 807 CD LYS A 51 8.562 -6.848 -13.300 1.00 0.00 C ATOM 808 CE LYS A 51 10.046 -6.543 -13.170 1.00 0.00 C ATOM 809 NZ LYS A 51 10.631 -7.147 -11.942 1.00 0.00 N ATOM 0 H LYS A 51 5.874 -5.512 -10.464 1.00 0.00 H new ATOM 0 HA LYS A 51 5.805 -3.887 -12.784 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.864 -6.907 -12.404 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.130 -6.096 -13.935 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.048 -4.836 -12.756 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.868 -5.997 -11.456 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.363 -7.855 -12.934 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.276 -6.829 -14.352 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.572 -6.921 -14.047 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.194 -5.463 -13.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.669 -7.109 -11.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.309 -6.617 -11.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.325 -8.138 -11.863 1.00 0.00 H new ATOM 823 N GLU A 52 3.148 -5.700 -12.138 1.00 0.00 N ATOM 824 CA GLU A 52 1.756 -5.921 -12.514 1.00 0.00 C ATOM 825 C GLU A 52 0.860 -4.820 -11.956 1.00 0.00 C ATOM 826 O GLU A 52 -0.101 -4.400 -12.601 1.00 0.00 O ATOM 827 CB GLU A 52 1.280 -7.286 -12.010 1.00 0.00 C ATOM 828 CG GLU A 52 2.196 -8.433 -12.403 1.00 0.00 C ATOM 829 CD GLU A 52 2.120 -8.761 -13.881 1.00 0.00 C ATOM 830 OE1 GLU A 52 2.536 -7.914 -14.699 1.00 0.00 O ATOM 831 OE2 GLU A 52 1.644 -9.865 -14.220 1.00 0.00 O ATOM 0 H GLU A 52 3.428 -6.153 -11.268 1.00 0.00 H new ATOM 0 HA GLU A 52 1.692 -5.900 -13.602 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.197 -7.254 -10.924 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.281 -7.480 -12.400 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.223 -8.177 -12.144 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.932 -9.318 -11.824 1.00 0.00 H new ATOM 838 N PHE A 53 1.181 -4.356 -10.752 1.00 0.00 N ATOM 839 CA PHE A 53 0.404 -3.305 -10.106 1.00 0.00 C ATOM 840 C PHE A 53 -0.056 -2.265 -11.123 1.00 0.00 C ATOM 841 O PHE A 53 0.709 -1.852 -11.996 1.00 0.00 O ATOM 842 CB PHE A 53 1.232 -2.631 -9.010 1.00 0.00 C ATOM 843 CG PHE A 53 0.715 -1.278 -8.614 1.00 0.00 C ATOM 844 CD1 PHE A 53 -0.248 -1.152 -7.625 1.00 0.00 C ATOM 845 CD2 PHE A 53 1.190 -0.132 -9.231 1.00 0.00 C ATOM 846 CE1 PHE A 53 -0.726 0.092 -7.258 1.00 0.00 C ATOM 847 CE2 PHE A 53 0.716 1.114 -8.868 1.00 0.00 C ATOM 848 CZ PHE A 53 -0.244 1.227 -7.881 1.00 0.00 C ATOM 0 H PHE A 53 1.974 -4.692 -10.205 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.477 -3.763 -9.657 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.250 -3.276 -8.131 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.262 -2.531 -9.353 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.629 -2.036 -7.136 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.939 -0.214 -10.004 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.476 0.177 -6.485 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.096 2.000 -9.356 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.617 2.200 -7.597 1.00 0.00 H new ATOM 858 N LYS A 54 -1.311 -1.845 -11.005 1.00 0.00 N ATOM 859 CA LYS A 54 -1.875 -0.853 -11.912 1.00 0.00 C ATOM 860 C LYS A 54 -2.266 0.414 -11.158 1.00 0.00 C ATOM 861 O LYS A 54 -1.883 1.519 -11.542 1.00 0.00 O ATOM 862 CB LYS A 54 -3.097 -1.428 -12.633 1.00 0.00 C ATOM 863 CG LYS A 54 -3.553 -0.593 -13.817 1.00 0.00 C ATOM 864 CD LYS A 54 -4.877 -1.089 -14.373 1.00 0.00 C ATOM 865 CE LYS A 54 -5.652 0.030 -15.050 1.00 0.00 C ATOM 866 NZ LYS A 54 -5.001 0.471 -16.314 1.00 0.00 N ATOM 0 H LYS A 54 -1.957 -2.177 -10.289 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.114 -0.596 -12.648 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.864 -2.436 -12.978 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.919 -1.516 -11.923 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.653 0.449 -13.512 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.794 -0.624 -14.599 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.695 -1.891 -15.088 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.476 -1.511 -13.566 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.666 -0.308 -15.263 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.735 0.877 -14.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.560 1.235 -16.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.042 0.818 -16.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.945 -0.331 -16.974 1.00 0.00 H new ATOM 880 N TYR A 55 -3.028 0.246 -10.084 1.00 0.00 N ATOM 881 CA TYR A 55 -3.471 1.376 -9.276 1.00 0.00 C ATOM 882 C TYR A 55 -3.865 0.923 -7.874 1.00 0.00 C ATOM 883 O TYR A 55 -4.015 -0.270 -7.614 1.00 0.00 O ATOM 884 CB TYR A 55 -4.652 2.078 -9.948 1.00 0.00 C ATOM 885 CG TYR A 55 -5.889 1.215 -10.054 1.00 0.00 C ATOM 886 CD1 TYR A 55 -5.980 0.212 -11.012 1.00 0.00 C ATOM 887 CD2 TYR A 55 -6.966 1.402 -9.196 1.00 0.00 C ATOM 888 CE1 TYR A 55 -7.109 -0.578 -11.113 1.00 0.00 C ATOM 889 CE2 TYR A 55 -8.098 0.615 -9.289 1.00 0.00 C ATOM 890 CZ TYR A 55 -8.165 -0.373 -10.249 1.00 0.00 C ATOM 891 OH TYR A 55 -9.290 -1.159 -10.345 1.00 0.00 O ATOM 0 H TYR A 55 -3.352 -0.662 -9.752 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.640 2.077 -9.191 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.895 2.980 -9.386 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.354 2.396 -10.947 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.154 0.047 -11.689 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.917 2.175 -8.444 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.165 -1.352 -11.864 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.926 0.773 -8.614 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.939 -0.886 -9.663 1.00 0.00 H new ATOM 901 N ALA A 56 -4.032 1.886 -6.973 1.00 0.00 N ATOM 902 CA ALA A 56 -4.412 1.588 -5.598 1.00 0.00 C ATOM 903 C ALA A 56 -5.442 2.588 -5.083 1.00 0.00 C ATOM 904 O ALA A 56 -5.309 3.794 -5.293 1.00 0.00 O ATOM 905 CB ALA A 56 -3.183 1.584 -4.700 1.00 0.00 C ATOM 0 H ALA A 56 -3.910 2.879 -7.171 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.866 0.597 -5.580 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.481 1.360 -3.676 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.481 0.826 -5.047 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.705 2.563 -4.733 1.00 0.00 H new ATOM 911 N LEU A 57 -6.468 2.080 -4.410 1.00 0.00 N ATOM 912 CA LEU A 57 -7.522 2.929 -3.866 1.00 0.00 C ATOM 913 C LEU A 57 -7.368 3.087 -2.356 1.00 0.00 C ATOM 914 O LEU A 57 -7.704 2.185 -1.589 1.00 0.00 O ATOM 915 CB LEU A 57 -8.896 2.342 -4.191 1.00 0.00 C ATOM 916 CG LEU A 57 -9.157 2.021 -5.663 1.00 0.00 C ATOM 917 CD1 LEU A 57 -10.379 1.127 -5.806 1.00 0.00 C ATOM 918 CD2 LEU A 57 -9.335 3.302 -6.465 1.00 0.00 C ATOM 0 H LEU A 57 -6.593 1.084 -4.228 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.436 3.913 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.024 1.427 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.658 3.044 -3.852 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.293 1.486 -6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.549 0.909 -6.860 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.213 0.195 -5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.252 1.635 -5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.520 3.054 -7.510 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.181 3.864 -6.070 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.431 3.907 -6.390 1.00 0.00 H new ATOM 930 N VAL A 58 -6.861 4.242 -1.936 1.00 0.00 N ATOM 931 CA VAL A 58 -6.666 4.520 -0.518 1.00 0.00 C ATOM 932 C VAL A 58 -7.923 5.119 0.102 1.00 0.00 C ATOM 933 O VAL A 58 -8.637 5.890 -0.539 1.00 0.00 O ATOM 934 CB VAL A 58 -5.486 5.484 -0.292 1.00 0.00 C ATOM 935 CG1 VAL A 58 -5.342 5.815 1.185 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.199 4.889 -0.842 1.00 0.00 C ATOM 0 H VAL A 58 -6.578 5.000 -2.557 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.445 3.568 -0.036 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.689 6.411 -0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.503 6.497 1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.257 6.287 1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.162 4.899 1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.376 5.584 -0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.988 3.947 -0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.309 4.709 -1.911 1.00 0.00 H new ATOM 946 N TRP A 59 -8.188 4.760 1.353 1.00 0.00 N ATOM 947 CA TRP A 59 -9.360 5.262 2.061 1.00 0.00 C ATOM 948 C TRP A 59 -8.975 5.810 3.430 1.00 0.00 C ATOM 949 O TRP A 59 -8.949 5.077 4.418 1.00 0.00 O ATOM 950 CB TRP A 59 -10.402 4.153 2.215 1.00 0.00 C ATOM 951 CG TRP A 59 -11.115 3.826 0.938 1.00 0.00 C ATOM 952 CD1 TRP A 59 -12.189 4.481 0.408 1.00 0.00 C ATOM 953 CD2 TRP A 59 -10.805 2.761 0.033 1.00 0.00 C ATOM 954 NE1 TRP A 59 -12.566 3.888 -0.772 1.00 0.00 N ATOM 955 CE2 TRP A 59 -11.732 2.831 -1.025 1.00 0.00 C ATOM 956 CE3 TRP A 59 -9.834 1.757 0.011 1.00 0.00 C ATOM 957 CZ2 TRP A 59 -11.715 1.934 -2.090 1.00 0.00 C ATOM 958 CZ3 TRP A 59 -9.818 0.867 -1.046 1.00 0.00 C ATOM 959 CH2 TRP A 59 -10.753 0.961 -2.086 1.00 0.00 C ATOM 0 H TRP A 59 -7.607 4.123 1.898 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.789 6.074 1.474 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -9.913 3.254 2.590 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -11.134 4.454 2.965 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -12.671 5.339 0.851 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.341 4.186 -1.364 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -9.108 1.678 0.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.436 2.004 -2.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.073 0.086 -1.071 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.713 0.252 -2.900 1.00 0.00 H new ATOM 970 N GLY A 60 -8.676 7.105 3.483 1.00 0.00 N ATOM 971 CA GLY A 60 -8.297 7.728 4.737 1.00 0.00 C ATOM 972 C GLY A 60 -7.885 9.176 4.564 1.00 0.00 C ATOM 973 O GLY A 60 -7.664 9.637 3.443 1.00 0.00 O ATOM 0 H GLY A 60 -8.690 7.733 2.679 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.133 7.672 5.434 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.473 7.170 5.182 1.00 0.00 H new ATOM 977 N LEU A 61 -7.782 9.898 5.674 1.00 0.00 N ATOM 978 CA LEU A 61 -7.395 11.304 5.641 1.00 0.00 C ATOM 979 C LEU A 61 -6.416 11.572 4.502 1.00 0.00 C ATOM 980 O LEU A 61 -6.510 12.589 3.815 1.00 0.00 O ATOM 981 CB LEU A 61 -6.769 11.713 6.975 1.00 0.00 C ATOM 982 CG LEU A 61 -7.499 11.240 8.232 1.00 0.00 C ATOM 983 CD1 LEU A 61 -9.005 11.294 8.027 1.00 0.00 C ATOM 984 CD2 LEU A 61 -7.060 9.832 8.606 1.00 0.00 C ATOM 0 H LEU A 61 -7.961 9.533 6.609 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.293 11.899 5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.748 11.332 7.007 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.704 12.801 7.005 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.240 11.909 9.052 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.508 10.954 8.932 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.306 12.319 7.808 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.282 10.649 7.194 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.590 9.512 9.503 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.288 9.150 7.787 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.987 9.824 8.796 1.00 0.00 H new ATOM 996 N SER A 62 -5.477 10.651 4.307 1.00 0.00 N ATOM 997 CA SER A 62 -4.479 10.789 3.253 1.00 0.00 C ATOM 998 C SER A 62 -5.072 11.482 2.030 1.00 0.00 C ATOM 999 O SER A 62 -4.509 12.448 1.516 1.00 0.00 O ATOM 1000 CB SER A 62 -3.931 9.416 2.858 1.00 0.00 C ATOM 1001 OG SER A 62 -4.962 8.577 2.367 1.00 0.00 O ATOM 0 H SER A 62 -5.387 9.802 4.865 1.00 0.00 H new ATOM 0 HA SER A 62 -3.664 11.402 3.637 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.160 9.534 2.096 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.457 8.948 3.721 1.00 0.00 H new ATOM 0 HG SER A 62 -5.147 7.870 3.020 1.00 0.00 H new ATOM 1007 N VAL A 63 -6.215 10.982 1.570 1.00 0.00 N ATOM 1008 CA VAL A 63 -6.886 11.553 0.409 1.00 0.00 C ATOM 1009 C VAL A 63 -8.090 12.390 0.827 1.00 0.00 C ATOM 1010 O VAL A 63 -8.717 12.128 1.853 1.00 0.00 O ATOM 1011 CB VAL A 63 -7.352 10.455 -0.566 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -6.166 9.645 -1.065 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -8.381 9.554 0.100 1.00 0.00 C ATOM 0 H VAL A 63 -6.695 10.183 1.984 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.160 12.192 -0.094 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.822 10.932 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.515 8.874 -1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.468 10.303 -1.582 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.664 9.176 -0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.699 8.784 -0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.939 9.083 0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.243 10.148 0.403 1.00 0.00 H new ATOM 1023 N LYS A 64 -8.408 13.400 0.024 1.00 0.00 N ATOM 1024 CA LYS A 64 -9.538 14.277 0.308 1.00 0.00 C ATOM 1025 C LYS A 64 -10.858 13.586 -0.017 1.00 0.00 C ATOM 1026 O LYS A 64 -11.761 13.526 0.819 1.00 0.00 O ATOM 1027 CB LYS A 64 -9.418 15.574 -0.495 1.00 0.00 C ATOM 1028 CG LYS A 64 -8.465 16.585 0.120 1.00 0.00 C ATOM 1029 CD LYS A 64 -9.054 17.220 1.368 1.00 0.00 C ATOM 1030 CE LYS A 64 -7.996 17.966 2.167 1.00 0.00 C ATOM 1031 NZ LYS A 64 -7.762 19.336 1.631 1.00 0.00 N ATOM 0 H LYS A 64 -7.899 13.632 -0.829 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.524 14.513 1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.081 15.337 -1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.405 16.027 -0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.524 16.094 0.370 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.236 17.361 -0.610 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.851 17.908 1.086 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.505 16.448 1.992 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.307 18.032 3.210 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.062 17.404 2.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.035 19.813 2.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.441 19.272 0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.647 19.881 1.673 1.00 0.00 H new ATOM 1045 N HIS A 65 -10.964 13.065 -1.235 1.00 0.00 N ATOM 1046 CA HIS A 65 -12.174 12.375 -1.669 1.00 0.00 C ATOM 1047 C HIS A 65 -11.865 10.935 -2.068 1.00 0.00 C ATOM 1048 O HIS A 65 -11.200 10.689 -3.073 1.00 0.00 O ATOM 1049 CB HIS A 65 -12.814 13.116 -2.843 1.00 0.00 C ATOM 1050 CG HIS A 65 -13.213 14.523 -2.518 1.00 0.00 C ATOM 1051 ND1 HIS A 65 -13.908 14.864 -1.377 1.00 0.00 N ATOM 1052 CD2 HIS A 65 -13.008 15.679 -3.192 1.00 0.00 C ATOM 1053 CE1 HIS A 65 -14.115 16.169 -1.364 1.00 0.00 C ATOM 1054 NE2 HIS A 65 -13.578 16.687 -2.454 1.00 0.00 N ATOM 0 H HIS A 65 -10.227 13.107 -1.939 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.874 12.359 -0.834 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.114 13.129 -3.678 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -13.694 12.565 -3.173 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -12.492 15.788 -4.135 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -14.635 16.719 -0.593 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -13.586 17.675 -2.706 1.00 0.00 H new ATOM 1063 N ASN A 66 -12.352 9.989 -1.273 1.00 0.00 N ATOM 1064 CA ASN A 66 -12.127 8.573 -1.543 1.00 0.00 C ATOM 1065 C ASN A 66 -13.398 7.910 -2.065 1.00 0.00 C ATOM 1066 O ASN A 66 -14.514 8.371 -1.821 1.00 0.00 O ATOM 1067 CB ASN A 66 -11.650 7.861 -0.276 1.00 0.00 C ATOM 1068 CG ASN A 66 -12.366 8.351 0.968 1.00 0.00 C ATOM 1069 OD1 ASN A 66 -13.536 8.731 0.915 1.00 0.00 O ATOM 1070 ND2 ASN A 66 -11.665 8.346 2.095 1.00 0.00 N ATOM 0 H ASN A 66 -12.905 10.176 -0.437 1.00 0.00 H new ATOM 0 HA ASN A 66 -11.356 8.493 -2.309 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.809 6.788 -0.384 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.577 8.014 -0.158 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -12.094 8.666 2.964 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.698 8.022 2.093 1.00 0.00 H new ATOM 1077 N PRO A 67 -13.228 6.801 -2.800 1.00 0.00 N ATOM 1078 CA PRO A 67 -11.905 6.244 -3.098 1.00 0.00 C ATOM 1079 C PRO A 67 -11.109 7.121 -4.058 1.00 0.00 C ATOM 1080 O PRO A 67 -11.653 7.644 -5.030 1.00 0.00 O ATOM 1081 CB PRO A 67 -12.226 4.896 -3.747 1.00 0.00 C ATOM 1082 CG PRO A 67 -13.589 5.067 -4.323 1.00 0.00 C ATOM 1083 CD PRO A 67 -14.314 6.007 -3.399 1.00 0.00 C ATOM 0 HA PRO A 67 -11.285 6.166 -2.205 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.499 4.645 -4.519 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.204 4.089 -3.015 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.538 5.474 -5.333 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.107 4.110 -4.391 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.021 6.636 -3.940 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -14.882 5.467 -2.641 1.00 0.00 H new ATOM 1091 N GLN A 68 -9.819 7.277 -3.778 1.00 0.00 N ATOM 1092 CA GLN A 68 -8.949 8.092 -4.618 1.00 0.00 C ATOM 1093 C GLN A 68 -7.913 7.227 -5.329 1.00 0.00 C ATOM 1094 O GLN A 68 -7.293 6.355 -4.720 1.00 0.00 O ATOM 1095 CB GLN A 68 -8.247 9.160 -3.777 1.00 0.00 C ATOM 1096 CG GLN A 68 -7.405 10.124 -4.597 1.00 0.00 C ATOM 1097 CD GLN A 68 -7.026 11.372 -3.823 1.00 0.00 C ATOM 1098 OE1 GLN A 68 -7.891 12.109 -3.350 1.00 0.00 O ATOM 1099 NE2 GLN A 68 -5.728 11.615 -3.691 1.00 0.00 N ATOM 0 H GLN A 68 -9.354 6.850 -2.977 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.567 8.581 -5.371 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.997 9.726 -3.224 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.610 8.670 -3.041 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.499 9.617 -4.928 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.956 10.410 -5.493 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.045 10.977 -4.100 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.413 12.440 -3.181 1.00 0.00 H new ATOM 1108 N LYS A 69 -7.731 7.474 -6.622 1.00 0.00 N ATOM 1109 CA LYS A 69 -6.770 6.720 -7.417 1.00 0.00 C ATOM 1110 C LYS A 69 -5.349 7.216 -7.169 1.00 0.00 C ATOM 1111 O LYS A 69 -5.083 8.417 -7.221 1.00 0.00 O ATOM 1112 CB LYS A 69 -7.109 6.832 -8.905 1.00 0.00 C ATOM 1113 CG LYS A 69 -6.591 5.671 -9.737 1.00 0.00 C ATOM 1114 CD LYS A 69 -7.516 4.468 -9.652 1.00 0.00 C ATOM 1115 CE LYS A 69 -8.768 4.668 -10.491 1.00 0.00 C ATOM 1116 NZ LYS A 69 -9.771 3.593 -10.256 1.00 0.00 N ATOM 0 H LYS A 69 -8.237 8.191 -7.142 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.828 5.674 -7.115 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.191 6.895 -9.019 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.693 7.761 -9.295 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.493 5.983 -10.777 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.596 5.391 -9.393 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.988 3.577 -9.991 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.797 4.296 -8.613 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.211 5.636 -10.257 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.498 4.688 -11.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.318 3.432 -11.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.282 2.715 -9.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.414 3.880 -9.491 1.00 0.00 H new ATOM 1130 N VAL A 70 -4.440 6.284 -6.901 1.00 0.00 N ATOM 1131 CA VAL A 70 -3.046 6.627 -6.648 1.00 0.00 C ATOM 1132 C VAL A 70 -2.107 5.769 -7.488 1.00 0.00 C ATOM 1133 O VAL A 70 -2.518 4.762 -8.065 1.00 0.00 O ATOM 1134 CB VAL A 70 -2.687 6.455 -5.160 1.00 0.00 C ATOM 1135 CG1 VAL A 70 -3.656 7.233 -4.283 1.00 0.00 C ATOM 1136 CG2 VAL A 70 -2.676 4.982 -4.782 1.00 0.00 C ATOM 0 H VAL A 70 -4.644 5.286 -6.854 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.923 7.674 -6.926 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.686 6.855 -4.997 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.386 7.099 -3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.608 8.292 -4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.669 6.866 -4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.420 4.879 -3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.662 4.553 -4.960 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.937 4.457 -5.387 1.00 0.00 H new ATOM 1146 N GLY A 71 -0.842 6.173 -7.553 1.00 0.00 N ATOM 1147 CA GLY A 71 0.136 5.429 -8.326 1.00 0.00 C ATOM 1148 C GLY A 71 1.074 4.623 -7.450 1.00 0.00 C ATOM 1149 O GLY A 71 0.686 4.151 -6.380 1.00 0.00 O ATOM 0 H GLY A 71 -0.477 7.002 -7.084 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.381 4.759 -9.012 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.717 6.122 -8.935 1.00 0.00 H new ATOM 1153 N LYS A 72 2.312 4.462 -7.904 1.00 0.00 N ATOM 1154 CA LYS A 72 3.310 3.706 -7.155 1.00 0.00 C ATOM 1155 C LYS A 72 4.102 4.621 -6.227 1.00 0.00 C ATOM 1156 O LYS A 72 4.545 4.203 -5.157 1.00 0.00 O ATOM 1157 CB LYS A 72 4.262 2.988 -8.115 1.00 0.00 C ATOM 1158 CG LYS A 72 5.004 3.927 -9.050 1.00 0.00 C ATOM 1159 CD LYS A 72 6.322 4.386 -8.449 1.00 0.00 C ATOM 1160 CE LYS A 72 7.450 3.419 -8.772 1.00 0.00 C ATOM 1161 NZ LYS A 72 8.696 3.751 -8.029 1.00 0.00 N ATOM 0 H LYS A 72 2.649 4.845 -8.787 1.00 0.00 H new ATOM 0 HA LYS A 72 2.789 2.966 -6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.988 2.418 -7.535 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.694 2.271 -8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.191 3.424 -9.999 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.380 4.794 -9.267 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.571 5.377 -8.829 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.218 4.477 -7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.140 2.404 -8.525 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.650 3.439 -9.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.253 2.885 -7.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.256 4.434 -8.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.451 4.166 -7.107 1.00 0.00 H new ATOM 1175 N ASP A 73 4.275 5.871 -6.642 1.00 0.00 N ATOM 1176 CA ASP A 73 5.011 6.846 -5.846 1.00 0.00 C ATOM 1177 C ASP A 73 4.189 7.297 -4.643 1.00 0.00 C ATOM 1178 O ASP A 73 4.739 7.666 -3.605 1.00 0.00 O ATOM 1179 CB ASP A 73 5.388 8.056 -6.703 1.00 0.00 C ATOM 1180 CG ASP A 73 5.624 9.302 -5.874 1.00 0.00 C ATOM 1181 OD1 ASP A 73 6.660 9.364 -5.178 1.00 0.00 O ATOM 1182 OD2 ASP A 73 4.774 10.216 -5.919 1.00 0.00 O ATOM 0 H ASP A 73 3.915 6.233 -7.525 1.00 0.00 H new ATOM 0 HA ASP A 73 5.922 6.369 -5.484 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.288 7.827 -7.274 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.594 8.248 -7.424 1.00 0.00 H new ATOM 1187 N HIS A 74 2.868 7.266 -4.789 1.00 0.00 N ATOM 1188 CA HIS A 74 1.970 7.672 -3.714 1.00 0.00 C ATOM 1189 C HIS A 74 2.471 7.162 -2.366 1.00 0.00 C ATOM 1190 O HIS A 74 2.722 5.969 -2.195 1.00 0.00 O ATOM 1191 CB HIS A 74 0.557 7.149 -3.977 1.00 0.00 C ATOM 1192 CG HIS A 74 -0.406 7.444 -2.868 1.00 0.00 C ATOM 1193 ND1 HIS A 74 -1.108 8.628 -2.776 1.00 0.00 N ATOM 1194 CD2 HIS A 74 -0.784 6.701 -1.802 1.00 0.00 C ATOM 1195 CE1 HIS A 74 -1.875 8.600 -1.701 1.00 0.00 C ATOM 1196 NE2 HIS A 74 -1.697 7.441 -1.092 1.00 0.00 N ATOM 0 H HIS A 74 2.396 6.964 -5.641 1.00 0.00 H new ATOM 0 HA HIS A 74 1.947 8.761 -3.685 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.181 7.590 -4.900 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.600 6.071 -4.133 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -1.045 9.404 -3.435 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.433 5.710 -1.555 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.535 9.390 -1.375 1.00 0.00 H new ATOM 1205 N THR A 75 2.614 8.075 -1.410 1.00 0.00 N ATOM 1206 CA THR A 75 3.087 7.719 -0.078 1.00 0.00 C ATOM 1207 C THR A 75 1.949 7.187 0.786 1.00 0.00 C ATOM 1208 O THR A 75 0.835 7.712 0.754 1.00 0.00 O ATOM 1209 CB THR A 75 3.734 8.924 0.630 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.779 9.468 -0.184 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.297 8.519 1.984 1.00 0.00 C ATOM 0 H THR A 75 2.409 9.066 -1.534 1.00 0.00 H new ATOM 0 HA THR A 75 3.837 6.938 -0.208 1.00 0.00 H new ATOM 0 HB THR A 75 2.965 9.681 0.786 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.184 10.235 0.273 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.749 9.387 2.465 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.493 8.134 2.612 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.053 7.746 1.847 1.00 0.00 H new ATOM 1219 N LEU A 76 2.235 6.144 1.557 1.00 0.00 N ATOM 1220 CA LEU A 76 1.234 5.542 2.431 1.00 0.00 C ATOM 1221 C LEU A 76 1.310 6.133 3.835 1.00 0.00 C ATOM 1222 O LEU A 76 2.383 6.519 4.299 1.00 0.00 O ATOM 1223 CB LEU A 76 1.429 4.026 2.493 1.00 0.00 C ATOM 1224 CG LEU A 76 1.027 3.246 1.241 1.00 0.00 C ATOM 1225 CD1 LEU A 76 1.656 1.861 1.250 1.00 0.00 C ATOM 1226 CD2 LEU A 76 -0.488 3.145 1.139 1.00 0.00 C ATOM 0 H LEU A 76 3.151 5.698 1.595 1.00 0.00 H new ATOM 0 HA LEU A 76 0.249 5.760 2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.479 3.823 2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.856 3.640 3.336 1.00 0.00 H new ATOM 0 HG LEU A 76 1.395 3.784 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.359 1.321 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.742 1.955 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.319 1.314 2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.756 2.587 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.878 2.630 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.917 4.146 1.085 1.00 0.00 H new ATOM 1238 N GLU A 77 0.165 6.200 4.506 1.00 0.00 N ATOM 1239 CA GLU A 77 0.103 6.744 5.858 1.00 0.00 C ATOM 1240 C GLU A 77 -0.308 5.668 6.859 1.00 0.00 C ATOM 1241 O GLU A 77 -0.800 4.605 6.477 1.00 0.00 O ATOM 1242 CB GLU A 77 -0.882 7.913 5.917 1.00 0.00 C ATOM 1243 CG GLU A 77 -0.259 9.252 5.558 1.00 0.00 C ATOM 1244 CD GLU A 77 1.060 9.491 6.268 1.00 0.00 C ATOM 1245 OE1 GLU A 77 1.148 9.187 7.476 1.00 0.00 O ATOM 1246 OE2 GLU A 77 2.004 9.983 5.615 1.00 0.00 O ATOM 0 H GLU A 77 -0.732 5.885 4.136 1.00 0.00 H new ATOM 0 HA GLU A 77 1.098 7.103 6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.711 7.714 5.238 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.301 7.974 6.922 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.101 9.298 4.481 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.954 10.052 5.812 1.00 0.00 H new ATOM 1253 N ASP A 78 -0.103 5.951 8.140 1.00 0.00 N ATOM 1254 CA ASP A 78 -0.452 5.008 9.197 1.00 0.00 C ATOM 1255 C ASP A 78 -1.963 4.811 9.271 1.00 0.00 C ATOM 1256 O ASP A 78 -2.732 5.719 8.960 1.00 0.00 O ATOM 1257 CB ASP A 78 0.078 5.501 10.545 1.00 0.00 C ATOM 1258 CG ASP A 78 0.279 4.372 11.536 1.00 0.00 C ATOM 1259 OD1 ASP A 78 -0.357 3.311 11.363 1.00 0.00 O ATOM 1260 OD2 ASP A 78 1.071 4.549 12.485 1.00 0.00 O ATOM 0 H ASP A 78 0.303 6.826 8.472 1.00 0.00 H new ATOM 0 HA ASP A 78 0.010 4.049 8.963 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.025 6.019 10.392 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.619 6.227 10.963 1.00 0.00 H new ATOM 1265 N GLU A 79 -2.379 3.618 9.685 1.00 0.00 N ATOM 1266 CA GLU A 79 -3.798 3.302 9.798 1.00 0.00 C ATOM 1267 C GLU A 79 -4.547 3.701 8.529 1.00 0.00 C ATOM 1268 O GLU A 79 -5.568 4.386 8.588 1.00 0.00 O ATOM 1269 CB GLU A 79 -4.407 4.013 11.008 1.00 0.00 C ATOM 1270 CG GLU A 79 -3.710 3.689 12.319 1.00 0.00 C ATOM 1271 CD GLU A 79 -2.528 4.599 12.592 1.00 0.00 C ATOM 1272 OE1 GLU A 79 -2.553 5.759 12.129 1.00 0.00 O ATOM 1273 OE2 GLU A 79 -1.579 4.151 13.269 1.00 0.00 O ATOM 0 H GLU A 79 -1.754 2.856 9.947 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.895 2.225 9.933 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.370 5.090 10.843 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.459 3.739 11.088 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.425 3.774 13.137 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.370 2.654 12.299 1.00 0.00 H new ATOM 1280 N ASP A 80 -4.032 3.267 7.384 1.00 0.00 N ATOM 1281 CA ASP A 80 -4.651 3.578 6.101 1.00 0.00 C ATOM 1282 C ASP A 80 -4.969 2.302 5.328 1.00 0.00 C ATOM 1283 O ASP A 80 -4.203 1.339 5.355 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.732 4.476 5.271 1.00 0.00 C ATOM 1285 CG ASP A 80 -3.899 5.945 5.607 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -4.042 6.266 6.805 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -3.889 6.772 4.672 1.00 0.00 O ATOM 0 H ASP A 80 -3.187 2.699 7.318 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.584 4.107 6.295 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.695 4.184 5.439 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.939 4.323 4.212 1.00 0.00 H new ATOM 1292 N VAL A 81 -6.107 2.302 4.640 1.00 0.00 N ATOM 1293 CA VAL A 81 -6.527 1.144 3.859 1.00 0.00 C ATOM 1294 C VAL A 81 -6.257 1.356 2.374 1.00 0.00 C ATOM 1295 O VAL A 81 -6.668 2.362 1.795 1.00 0.00 O ATOM 1296 CB VAL A 81 -8.025 0.846 4.060 1.00 0.00 C ATOM 1297 CG1 VAL A 81 -8.487 -0.238 3.098 1.00 0.00 C ATOM 1298 CG2 VAL A 81 -8.299 0.443 5.501 1.00 0.00 C ATOM 0 H VAL A 81 -6.754 3.090 4.608 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.944 0.294 4.213 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.590 1.753 3.847 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.548 -0.435 3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.327 0.094 2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.918 -1.150 3.277 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.362 0.236 5.625 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.725 -0.451 5.744 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.007 1.255 6.168 1.00 0.00 H new ATOM 1308 N ILE A 82 -5.564 0.401 1.763 1.00 0.00 N ATOM 1309 CA ILE A 82 -5.240 0.482 0.344 1.00 0.00 C ATOM 1310 C ILE A 82 -5.641 -0.796 -0.386 1.00 0.00 C ATOM 1311 O ILE A 82 -5.569 -1.889 0.174 1.00 0.00 O ATOM 1312 CB ILE A 82 -3.737 0.736 0.123 1.00 0.00 C ATOM 1313 CG1 ILE A 82 -3.451 0.976 -1.361 1.00 0.00 C ATOM 1314 CG2 ILE A 82 -2.920 -0.438 0.642 1.00 0.00 C ATOM 1315 CD1 ILE A 82 -2.013 1.348 -1.646 1.00 0.00 C ATOM 0 H ILE A 82 -5.216 -0.437 2.228 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.805 1.321 -0.061 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.449 1.628 0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.703 0.076 -1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.102 1.771 -1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.860 -0.244 0.479 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.105 -0.567 1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.209 -1.345 0.111 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.883 1.503 -2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.762 2.265 -1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.356 0.544 -1.313 1.00 0.00 H new ATOM 1327 N GLN A 83 -6.062 -0.649 -1.638 1.00 0.00 N ATOM 1328 CA GLN A 83 -6.474 -1.792 -2.444 1.00 0.00 C ATOM 1329 C GLN A 83 -5.541 -1.981 -3.635 1.00 0.00 C ATOM 1330 O GLN A 83 -5.668 -1.295 -4.650 1.00 0.00 O ATOM 1331 CB GLN A 83 -7.912 -1.607 -2.931 1.00 0.00 C ATOM 1332 CG GLN A 83 -8.365 -2.679 -3.910 1.00 0.00 C ATOM 1333 CD GLN A 83 -9.871 -2.844 -3.939 1.00 0.00 C ATOM 1334 OE1 GLN A 83 -10.559 -2.551 -2.960 1.00 0.00 O ATOM 1335 NE2 GLN A 83 -10.394 -3.316 -5.065 1.00 0.00 N ATOM 0 H GLN A 83 -6.127 0.250 -2.116 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.422 -2.684 -1.820 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.581 -1.606 -2.071 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.003 -0.630 -3.406 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -8.012 -2.425 -4.910 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.904 -3.629 -3.641 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.787 -3.546 -5.852 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.402 -3.448 -5.143 1.00 0.00 H new ATOM 1344 N ILE A 84 -4.605 -2.915 -3.505 1.00 0.00 N ATOM 1345 CA ILE A 84 -3.652 -3.195 -4.571 1.00 0.00 C ATOM 1346 C ILE A 84 -4.324 -3.916 -5.734 1.00 0.00 C ATOM 1347 O ILE A 84 -4.812 -5.037 -5.585 1.00 0.00 O ATOM 1348 CB ILE A 84 -2.474 -4.049 -4.064 1.00 0.00 C ATOM 1349 CG1 ILE A 84 -1.746 -3.328 -2.928 1.00 0.00 C ATOM 1350 CG2 ILE A 84 -1.515 -4.358 -5.204 1.00 0.00 C ATOM 1351 CD1 ILE A 84 -1.058 -2.053 -3.364 1.00 0.00 C ATOM 0 H ILE A 84 -4.486 -3.491 -2.671 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.271 -2.233 -4.914 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.865 -4.991 -3.679 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.461 -3.094 -2.140 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.006 -4.002 -2.497 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.688 -4.962 -4.830 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.042 -4.907 -5.984 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.127 -3.426 -5.616 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.563 -1.596 -2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.318 -2.283 -4.131 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.797 -1.361 -3.768 1.00 0.00 H new ATOM 1363 N VAL A 85 -4.344 -3.267 -6.894 1.00 0.00 N ATOM 1364 CA VAL A 85 -4.954 -3.847 -8.085 1.00 0.00 C ATOM 1365 C VAL A 85 -3.908 -4.123 -9.159 1.00 0.00 C ATOM 1366 O VAL A 85 -3.201 -3.217 -9.600 1.00 0.00 O ATOM 1367 CB VAL A 85 -6.040 -2.923 -8.666 1.00 0.00 C ATOM 1368 CG1 VAL A 85 -6.462 -3.399 -10.048 1.00 0.00 C ATOM 1369 CG2 VAL A 85 -7.236 -2.852 -7.729 1.00 0.00 C ATOM 0 H VAL A 85 -3.945 -2.339 -7.034 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.413 -4.787 -7.780 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.625 -1.920 -8.764 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.230 -2.734 -10.443 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.599 -3.393 -10.714 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.860 -4.412 -9.978 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.994 -2.195 -8.155 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.654 -3.850 -7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.918 -2.461 -6.763 1.00 0.00 H new ATOM 1379 N LYS A 86 -3.815 -5.381 -9.577 1.00 0.00 N ATOM 1380 CA LYS A 86 -2.857 -5.778 -10.602 1.00 0.00 C ATOM 1381 C LYS A 86 -3.458 -5.630 -11.996 1.00 0.00 C ATOM 1382 O LYS A 86 -4.671 -5.739 -12.175 1.00 0.00 O ATOM 1383 CB LYS A 86 -2.410 -7.224 -10.378 1.00 0.00 C ATOM 1384 CG LYS A 86 -1.372 -7.377 -9.280 1.00 0.00 C ATOM 1385 CD LYS A 86 -1.279 -8.815 -8.797 1.00 0.00 C ATOM 1386 CE LYS A 86 -2.236 -9.079 -7.644 1.00 0.00 C ATOM 1387 NZ LYS A 86 -2.571 -10.525 -7.521 1.00 0.00 N ATOM 0 H LYS A 86 -4.392 -6.143 -9.221 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.991 -5.121 -10.528 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.281 -7.830 -10.130 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.002 -7.618 -11.309 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.399 -7.053 -9.650 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.628 -6.727 -8.443 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.505 -9.492 -9.621 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.258 -9.028 -8.480 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.789 -8.729 -6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.151 -8.506 -7.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.225 -10.663 -6.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.021 -10.853 -8.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.701 -11.070 -7.353 1.00 0.00 H new ATOM 1401 N LYS A 87 -2.602 -5.383 -12.982 1.00 0.00 N ATOM 1402 CA LYS A 87 -3.047 -5.224 -14.361 1.00 0.00 C ATOM 1403 C LYS A 87 -3.671 -6.513 -14.884 1.00 0.00 C ATOM 1404 O LYS A 87 -4.863 -6.559 -15.188 1.00 0.00 O ATOM 1405 CB LYS A 87 -1.874 -4.813 -15.253 1.00 0.00 C ATOM 1406 CG LYS A 87 -1.469 -3.358 -15.095 1.00 0.00 C ATOM 1407 CD LYS A 87 -0.210 -3.041 -15.884 1.00 0.00 C ATOM 1408 CE LYS A 87 0.490 -1.804 -15.343 1.00 0.00 C ATOM 1409 NZ LYS A 87 1.682 -1.440 -16.158 1.00 0.00 N ATOM 0 H LYS A 87 -1.595 -5.289 -12.851 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.804 -4.440 -14.384 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.017 -5.447 -15.026 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.139 -4.996 -16.294 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.282 -2.715 -15.431 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.304 -3.138 -14.040 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.470 -3.892 -15.844 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.466 -2.887 -16.932 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.209 -0.968 -15.329 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.796 -1.981 -14.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.131 -0.592 -15.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.361 -2.228 -16.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.387 -1.246 -17.136 1.00 0.00 H new ATOM 1423 N SER A 88 -2.858 -7.560 -14.984 1.00 0.00 N ATOM 1424 CA SER A 88 -3.331 -8.851 -15.473 1.00 0.00 C ATOM 1425 C SER A 88 -2.480 -9.987 -14.914 1.00 0.00 C ATOM 1426 O SER A 88 -1.366 -9.769 -14.439 1.00 0.00 O ATOM 1427 CB SER A 88 -3.303 -8.882 -17.002 1.00 0.00 C ATOM 1428 OG SER A 88 -3.764 -10.128 -17.495 1.00 0.00 O ATOM 0 H SER A 88 -1.869 -7.540 -14.733 1.00 0.00 H new ATOM 0 HA SER A 88 -4.358 -8.988 -15.133 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.925 -8.079 -17.397 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.287 -8.701 -17.354 1.00 0.00 H new ATOM 0 HG SER A 88 -3.738 -10.122 -18.475 1.00 0.00 H new ATOM 1434 N GLY A 89 -3.014 -11.203 -14.976 1.00 0.00 N ATOM 1435 CA GLY A 89 -2.292 -12.357 -14.473 1.00 0.00 C ATOM 1436 C GLY A 89 -3.046 -13.654 -14.691 1.00 0.00 C ATOM 1437 O GLY A 89 -3.800 -13.804 -15.652 1.00 0.00 O ATOM 0 H GLY A 89 -3.934 -11.409 -15.366 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.322 -12.417 -14.966 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.101 -12.226 -13.408 1.00 0.00 H new ATOM 1441 N PRO A 90 -2.843 -14.621 -13.784 1.00 0.00 N ATOM 1442 CA PRO A 90 -3.500 -15.929 -13.861 1.00 0.00 C ATOM 1443 C PRO A 90 -4.997 -15.843 -13.580 1.00 0.00 C ATOM 1444 O PRO A 90 -5.420 -15.229 -12.601 1.00 0.00 O ATOM 1445 CB PRO A 90 -2.798 -16.743 -12.772 1.00 0.00 C ATOM 1446 CG PRO A 90 -2.302 -15.729 -11.800 1.00 0.00 C ATOM 1447 CD PRO A 90 -1.958 -14.511 -12.612 1.00 0.00 C ATOM 0 HA PRO A 90 -3.422 -16.366 -14.856 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.485 -17.444 -12.297 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -1.978 -17.331 -13.184 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -3.063 -15.499 -11.054 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -1.429 -16.099 -11.262 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -2.141 -13.592 -12.055 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -0.907 -14.505 -12.901 1.00 0.00 H new ATOM 1455 N SER A 91 -5.793 -16.463 -14.445 1.00 0.00 N ATOM 1456 CA SER A 91 -7.243 -16.454 -14.292 1.00 0.00 C ATOM 1457 C SER A 91 -7.665 -17.265 -13.070 1.00 0.00 C ATOM 1458 O SER A 91 -8.287 -16.739 -12.147 1.00 0.00 O ATOM 1459 CB SER A 91 -7.913 -17.016 -15.547 1.00 0.00 C ATOM 1460 OG SER A 91 -8.038 -16.020 -16.547 1.00 0.00 O ATOM 0 H SER A 91 -5.458 -16.978 -15.259 1.00 0.00 H new ATOM 0 HA SER A 91 -7.562 -15.422 -14.150 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.328 -17.851 -15.932 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.898 -17.407 -15.293 1.00 0.00 H new ATOM 0 HG SER A 91 -8.468 -16.404 -17.340 1.00 0.00 H new ATOM 1466 N SER A 92 -7.322 -18.549 -13.072 1.00 0.00 N ATOM 1467 CA SER A 92 -7.668 -19.435 -11.967 1.00 0.00 C ATOM 1468 C SER A 92 -7.237 -18.833 -10.633 1.00 0.00 C ATOM 1469 O SER A 92 -6.064 -18.888 -10.264 1.00 0.00 O ATOM 1470 CB SER A 92 -7.012 -20.804 -12.157 1.00 0.00 C ATOM 1471 OG SER A 92 -7.574 -21.490 -13.262 1.00 0.00 O ATOM 0 H SER A 92 -6.805 -18.999 -13.827 1.00 0.00 H new ATOM 0 HA SER A 92 -8.751 -19.558 -11.958 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.940 -20.679 -12.310 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.138 -21.400 -11.253 1.00 0.00 H new ATOM 0 HG SER A 92 -7.137 -22.361 -13.363 1.00 0.00 H new ATOM 1477 N GLY A 93 -8.195 -18.257 -9.913 1.00 0.00 N ATOM 1478 CA GLY A 93 -7.896 -17.652 -8.628 1.00 0.00 C ATOM 1479 C GLY A 93 -9.146 -17.262 -7.866 1.00 0.00 C ATOM 1480 O GLY A 93 -10.214 -17.836 -8.077 1.00 0.00 O ATOM 0 H GLY A 93 -9.173 -18.199 -10.197 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.312 -18.350 -8.028 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.277 -16.768 -8.781 1.00 0.00 H new TER 1484 GLY A 93