USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 514 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 23 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.2) USER MOD Set 1.2: A 27 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 19 TYR OH : rot -122:sc= 1.17 USER MOD Set 2.2: A 35 ASN : amide:sc= 0.59 K(o=1.8,f=-0.21) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 24 ASN : amide:sc= -0.128 K(o=-0.13,f=-1.2) USER MOD Single : A 28 SER OG : rot -77:sc= 0.844 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.114 K(o=-0.11,f=-0.66) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.821 K(o=0.82,f=-0.5) USER MOD Single : A 56 GLN : amide:sc= -0.0771 X(o=-0.077,f=-0.22) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 175:sc= 0.935 (180deg=0.914) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0713 X(o=-0.071,f=-0.35) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 155:sc= 0.839 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 11 0.264 -0.107 -0.165 1.00 0.00 N ATOM 2 CA GLY A 11 1.720 -0.030 -0.176 1.00 0.00 C ATOM 3 C GLY A 11 2.196 1.416 -0.127 1.00 0.00 C ATOM 4 O GLY A 11 3.283 1.705 0.374 1.00 0.00 O ATOM 0 HA2 GLY A 11 2.122 -0.577 0.677 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.105 -0.512 -1.074 1.00 0.00 H new ATOM 8 N ALA A 12 1.377 2.322 -0.650 1.00 0.00 N ATOM 9 CA ALA A 12 1.747 3.729 -0.740 1.00 0.00 C ATOM 10 C ALA A 12 1.905 4.347 0.643 1.00 0.00 C ATOM 11 O ALA A 12 2.843 5.105 0.891 1.00 0.00 O ATOM 12 CB ALA A 12 0.715 4.498 -1.553 1.00 0.00 C ATOM 0 H ALA A 12 0.451 2.106 -1.019 1.00 0.00 H new ATOM 0 HA ALA A 12 2.710 3.792 -1.247 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.006 5.547 -1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.659 4.081 -2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.260 4.418 -1.073 1.00 0.00 H new ATOM 18 N PRO A 13 0.983 4.018 1.540 1.00 0.00 N ATOM 19 CA PRO A 13 1.029 4.524 2.907 1.00 0.00 C ATOM 20 C PRO A 13 2.354 4.182 3.577 1.00 0.00 C ATOM 21 O PRO A 13 2.931 5.003 4.290 1.00 0.00 O ATOM 22 CB PRO A 13 -0.158 3.846 3.599 1.00 0.00 C ATOM 23 CG PRO A 13 -1.114 3.553 2.493 1.00 0.00 C ATOM 24 CD PRO A 13 -0.258 3.166 1.317 1.00 0.00 C ATOM 0 HA PRO A 13 0.961 5.611 2.956 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.149 2.934 4.111 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.606 4.498 4.349 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.795 2.747 2.766 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.727 4.424 2.263 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -0.027 2.101 1.313 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.743 3.391 0.367 1.00 0.00 H new ATOM 32 N GLY A 14 2.834 2.966 3.342 1.00 0.00 N ATOM 33 CA GLY A 14 4.088 2.510 3.928 1.00 0.00 C ATOM 34 C GLY A 14 5.279 3.234 3.312 1.00 0.00 C ATOM 35 O GLY A 14 6.217 3.614 4.013 1.00 0.00 O ATOM 0 H GLY A 14 2.372 2.277 2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.073 2.680 5.005 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.194 1.436 3.777 1.00 0.00 H new ATOM 39 N ILE A 15 5.235 3.420 1.997 1.00 0.00 N ATOM 40 CA ILE A 15 6.294 4.130 1.288 1.00 0.00 C ATOM 41 C ILE A 15 6.375 5.584 1.736 1.00 0.00 C ATOM 42 O ILE A 15 7.463 6.109 1.976 1.00 0.00 O ATOM 43 CB ILE A 15 6.083 4.083 -0.236 1.00 0.00 C ATOM 44 CG1 ILE A 15 6.275 2.655 -0.757 1.00 0.00 C ATOM 45 CG2 ILE A 15 7.037 5.039 -0.934 1.00 0.00 C ATOM 46 CD1 ILE A 15 5.804 2.456 -2.179 1.00 0.00 C ATOM 0 H ILE A 15 4.477 3.089 1.400 1.00 0.00 H new ATOM 0 HA ILE A 15 7.229 3.625 1.531 1.00 0.00 H new ATOM 0 HB ILE A 15 5.062 4.396 -0.455 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.332 2.394 -0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.737 1.965 -0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.875 4.993 -2.011 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.856 6.055 -0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.065 4.755 -0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.973 1.421 -2.477 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.740 2.684 -2.245 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.359 3.119 -2.842 1.00 0.00 H new ATOM 58 N ILE A 16 5.220 6.231 1.844 1.00 0.00 N ATOM 59 CA ILE A 16 5.163 7.643 2.200 1.00 0.00 C ATOM 60 C ILE A 16 5.566 7.862 3.653 1.00 0.00 C ATOM 61 O ILE A 16 6.336 8.770 3.964 1.00 0.00 O ATOM 62 CB ILE A 16 3.756 8.227 1.973 1.00 0.00 C ATOM 63 CG1 ILE A 16 3.432 8.272 0.478 1.00 0.00 C ATOM 64 CG2 ILE A 16 3.651 9.615 2.586 1.00 0.00 C ATOM 65 CD1 ILE A 16 1.978 8.560 0.176 1.00 0.00 C ATOM 0 H ILE A 16 4.309 5.799 1.690 1.00 0.00 H new ATOM 0 HA ILE A 16 5.869 8.159 1.550 1.00 0.00 H new ATOM 0 HB ILE A 16 3.029 7.580 2.463 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.050 9.035 0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.705 7.317 0.028 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.650 10.013 2.416 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.841 9.555 3.658 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.386 10.273 2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.827 8.576 -0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.354 7.784 0.618 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.704 9.528 0.595 1.00 0.00 H new ATOM 77 N LEU A 17 5.040 7.024 4.540 1.00 0.00 N ATOM 78 CA LEU A 17 5.366 7.107 5.958 1.00 0.00 C ATOM 79 C LEU A 17 6.864 6.958 6.189 1.00 0.00 C ATOM 80 O LEU A 17 7.478 7.762 6.891 1.00 0.00 O ATOM 81 CB LEU A 17 4.597 6.035 6.742 1.00 0.00 C ATOM 82 CG LEU A 17 4.877 6.002 8.249 1.00 0.00 C ATOM 83 CD1 LEU A 17 4.505 7.337 8.880 1.00 0.00 C ATOM 84 CD2 LEU A 17 4.091 4.866 8.888 1.00 0.00 C ATOM 0 H LEU A 17 4.386 6.279 4.301 1.00 0.00 H new ATOM 0 HA LEU A 17 5.067 8.092 6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.529 6.193 6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.838 5.058 6.322 1.00 0.00 H new ATOM 0 HG LEU A 17 5.940 5.831 8.417 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.708 7.303 9.950 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.095 8.132 8.424 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.445 7.533 8.718 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.291 4.843 9.959 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.025 5.022 8.721 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.394 3.918 8.442 1.00 0.00 H new ATOM 96 N ARG A 18 7.450 5.923 5.594 1.00 0.00 N ATOM 97 CA ARG A 18 8.890 5.712 5.668 1.00 0.00 C ATOM 98 C ARG A 18 9.651 6.889 5.073 1.00 0.00 C ATOM 99 O ARG A 18 10.644 7.349 5.638 1.00 0.00 O ATOM 100 CB ARG A 18 9.311 4.397 5.028 1.00 0.00 C ATOM 101 CG ARG A 18 10.804 4.114 5.071 1.00 0.00 C ATOM 102 CD ARG A 18 11.191 2.788 4.524 1.00 0.00 C ATOM 103 NE ARG A 18 12.626 2.553 4.474 1.00 0.00 N ATOM 104 CZ ARG A 18 13.200 1.428 4.005 1.00 0.00 C ATOM 105 NH1 ARG A 18 12.470 0.420 3.582 1.00 0.00 N ATOM 106 NH2 ARG A 18 14.520 1.354 4.005 1.00 0.00 N ATOM 0 H ARG A 18 6.948 5.217 5.055 1.00 0.00 H new ATOM 0 HA ARG A 18 9.150 5.646 6.725 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.787 3.582 5.528 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.985 4.395 3.988 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.325 4.891 4.512 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.145 4.181 6.104 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.729 2.009 5.131 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.784 2.691 3.517 1.00 0.00 H new ATOM 0 HE ARG A 18 13.240 3.291 4.818 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.452 0.482 3.606 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.921 -0.424 3.230 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.075 2.136 4.354 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.984 0.515 3.656 1.00 0.00 H new ATOM 120 N TYR A 19 9.179 7.376 3.930 1.00 0.00 N ATOM 121 CA TYR A 19 9.800 8.516 3.268 1.00 0.00 C ATOM 122 C TYR A 19 9.859 9.725 4.193 1.00 0.00 C ATOM 123 O TYR A 19 10.912 10.343 4.359 1.00 0.00 O ATOM 124 CB TYR A 19 9.041 8.872 1.988 1.00 0.00 C ATOM 125 CG TYR A 19 9.475 10.178 1.360 1.00 0.00 C ATOM 126 CD1 TYR A 19 10.662 10.266 0.646 1.00 0.00 C ATOM 127 CD2 TYR A 19 8.695 11.319 1.481 1.00 0.00 C ATOM 128 CE1 TYR A 19 11.063 11.457 0.071 1.00 0.00 C ATOM 129 CE2 TYR A 19 9.086 12.514 0.910 1.00 0.00 C ATOM 130 CZ TYR A 19 10.271 12.579 0.206 1.00 0.00 C ATOM 131 OH TYR A 19 10.664 13.768 -0.366 1.00 0.00 O ATOM 0 H TYR A 19 8.367 6.998 3.443 1.00 0.00 H new ATOM 0 HA TYR A 19 10.820 8.234 3.008 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.175 8.069 1.263 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.976 8.924 2.212 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.283 9.389 0.538 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.767 11.272 2.031 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.990 11.509 -0.480 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.467 13.393 1.014 1.00 0.00 H new ATOM 0 HH TYR A 19 10.734 14.457 0.327 1.00 0.00 H new ATOM 141 N LEU A 20 8.723 10.059 4.795 1.00 0.00 N ATOM 142 CA LEU A 20 8.612 11.262 5.611 1.00 0.00 C ATOM 143 C LEU A 20 9.464 11.156 6.869 1.00 0.00 C ATOM 144 O LEU A 20 10.029 12.146 7.333 1.00 0.00 O ATOM 145 CB LEU A 20 7.145 11.519 5.980 1.00 0.00 C ATOM 146 CG LEU A 20 6.243 11.942 4.814 1.00 0.00 C ATOM 147 CD1 LEU A 20 4.792 11.996 5.271 1.00 0.00 C ATOM 148 CD2 LEU A 20 6.693 13.296 4.288 1.00 0.00 C ATOM 0 H LEU A 20 7.864 9.512 4.733 1.00 0.00 H new ATOM 0 HA LEU A 20 8.983 12.103 5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.735 10.613 6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.110 12.294 6.745 1.00 0.00 H new ATOM 0 HG LEU A 20 6.321 11.210 4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.159 12.297 4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.484 11.011 5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.692 12.718 6.081 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.052 13.596 3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.626 14.036 5.085 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.724 13.227 3.942 1.00 0.00 H new ATOM 160 N GLN A 21 9.555 9.949 7.415 1.00 0.00 N ATOM 161 CA GLN A 21 10.343 9.710 8.619 1.00 0.00 C ATOM 162 C GLN A 21 11.835 9.823 8.331 1.00 0.00 C ATOM 163 O GLN A 21 12.583 10.418 9.107 1.00 0.00 O ATOM 164 CB GLN A 21 10.031 8.327 9.198 1.00 0.00 C ATOM 165 CG GLN A 21 8.687 8.234 9.898 1.00 0.00 C ATOM 166 CD GLN A 21 8.377 6.827 10.372 1.00 0.00 C ATOM 167 OE1 GLN A 21 9.102 5.878 10.059 1.00 0.00 O ATOM 168 NE2 GLN A 21 7.293 6.683 11.127 1.00 0.00 N ATOM 0 H GLN A 21 9.092 9.120 7.043 1.00 0.00 H new ATOM 0 HA GLN A 21 10.073 10.473 9.349 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.060 7.593 8.392 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.816 8.056 9.904 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.677 8.912 10.751 1.00 0.00 H new ATOM 0 HG3 GLN A 21 7.903 8.566 9.218 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.723 7.496 11.361 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.031 5.760 11.473 1.00 0.00 H new ATOM 177 N GLU A 22 12.262 9.247 7.213 1.00 0.00 N ATOM 178 CA GLU A 22 13.674 9.231 6.850 1.00 0.00 C ATOM 179 C GLU A 22 14.160 10.622 6.466 1.00 0.00 C ATOM 180 O GLU A 22 15.303 10.987 6.736 1.00 0.00 O ATOM 181 CB GLU A 22 13.921 8.252 5.700 1.00 0.00 C ATOM 182 CG GLU A 22 13.861 6.785 6.100 1.00 0.00 C ATOM 183 CD GLU A 22 14.132 5.887 4.925 1.00 0.00 C ATOM 184 OE1 GLU A 22 14.200 6.382 3.826 1.00 0.00 O ATOM 185 OE2 GLU A 22 14.383 4.724 5.137 1.00 0.00 O ATOM 0 H GLU A 22 11.649 8.784 6.541 1.00 0.00 H new ATOM 0 HA GLU A 22 14.238 8.902 7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.182 8.434 4.919 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.900 8.458 5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.591 6.590 6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.879 6.559 6.514 1.00 0.00 H new ATOM 192 N GLN A 23 13.283 11.396 5.834 1.00 0.00 N ATOM 193 CA GLN A 23 13.622 12.749 5.409 1.00 0.00 C ATOM 194 C GLN A 23 13.512 13.734 6.565 1.00 0.00 C ATOM 195 O GLN A 23 14.320 14.655 6.689 1.00 0.00 O ATOM 196 CB GLN A 23 12.710 13.194 4.262 1.00 0.00 C ATOM 197 CG GLN A 23 12.887 12.398 2.981 1.00 0.00 C ATOM 198 CD GLN A 23 14.312 12.451 2.460 1.00 0.00 C ATOM 199 OE1 GLN A 23 14.911 13.524 2.359 1.00 0.00 O ATOM 200 NE2 GLN A 23 14.860 11.289 2.121 1.00 0.00 N ATOM 0 H GLN A 23 12.332 11.109 5.605 1.00 0.00 H new ATOM 0 HA GLN A 23 14.655 12.738 5.063 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.672 13.114 4.586 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.898 14.247 4.051 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.607 11.360 3.160 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.210 12.785 2.219 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.327 10.425 2.221 1.00 0.00 H new ATOM 0 HE22 GLN A 23 15.814 11.261 1.760 1.00 0.00 H new ATOM 209 N ASN A 24 12.507 13.535 7.412 1.00 0.00 N ATOM 210 CA ASN A 24 12.286 14.409 8.558 1.00 0.00 C ATOM 211 C ASN A 24 12.038 15.845 8.117 1.00 0.00 C ATOM 212 O ASN A 24 12.462 16.791 8.779 1.00 0.00 O ATOM 213 CB ASN A 24 13.450 14.353 9.531 1.00 0.00 C ATOM 214 CG ASN A 24 13.105 14.824 10.916 1.00 0.00 C ATOM 215 OD1 ASN A 24 11.957 14.713 11.363 1.00 0.00 O ATOM 216 ND2 ASN A 24 14.071 15.422 11.566 1.00 0.00 N ATOM 0 H ASN A 24 11.832 12.775 7.326 1.00 0.00 H new ATOM 0 HA ASN A 24 11.395 14.047 9.071 1.00 0.00 H new ATOM 0 HB2 ASN A 24 13.816 13.328 9.586 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.266 14.962 9.143 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.894 15.824 12.487 1.00 0.00 H new ATOM 0 HD22 ASN A 24 15.001 15.486 11.152 1.00 0.00 H new ATOM 223 N ARG A 25 11.347 16.001 6.992 1.00 0.00 N ATOM 224 CA ARG A 25 11.067 17.323 6.444 1.00 0.00 C ATOM 225 C ARG A 25 9.633 17.416 5.937 1.00 0.00 C ATOM 226 O ARG A 25 9.039 16.414 5.536 1.00 0.00 O ATOM 227 CB ARG A 25 12.065 17.721 5.366 1.00 0.00 C ATOM 228 CG ARG A 25 13.499 17.875 5.848 1.00 0.00 C ATOM 229 CD ARG A 25 13.725 19.049 6.730 1.00 0.00 C ATOM 230 NE ARG A 25 15.118 19.280 7.080 1.00 0.00 N ATOM 231 CZ ARG A 25 15.757 18.686 8.106 1.00 0.00 C ATOM 232 NH1 ARG A 25 15.125 17.858 8.908 1.00 0.00 N ATOM 233 NH2 ARG A 25 17.031 18.978 8.302 1.00 0.00 N ATOM 0 H ARG A 25 10.971 15.228 6.442 1.00 0.00 H new ATOM 0 HA ARG A 25 11.181 18.038 7.259 1.00 0.00 H new ATOM 0 HB2 ARG A 25 12.041 16.972 4.575 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.743 18.663 4.923 1.00 0.00 H new ATOM 0 HG2 ARG A 25 13.789 16.971 6.384 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.155 17.955 4.981 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.335 19.939 6.236 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.150 18.915 7.647 1.00 0.00 H new ATOM 0 HE ARG A 25 15.648 19.938 6.508 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.136 17.657 8.758 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.623 17.416 9.681 1.00 0.00 H new ATOM 0 HH21 ARG A 25 17.504 19.638 7.684 1.00 0.00 H new ATOM 0 HH22 ARG A 25 17.541 18.544 9.071 1.00 0.00 H new ATOM 247 N PRO A 26 9.081 18.625 5.957 1.00 0.00 N ATOM 248 CA PRO A 26 7.725 18.856 5.471 1.00 0.00 C ATOM 249 C PRO A 26 7.665 18.784 3.951 1.00 0.00 C ATOM 250 O PRO A 26 8.490 19.381 3.259 1.00 0.00 O ATOM 251 CB PRO A 26 7.372 20.251 5.998 1.00 0.00 C ATOM 252 CG PRO A 26 8.684 20.949 6.106 1.00 0.00 C ATOM 253 CD PRO A 26 9.672 19.885 6.504 1.00 0.00 C ATOM 0 HA PRO A 26 7.018 18.101 5.815 1.00 0.00 H new ATOM 0 HB2 PRO A 26 6.699 20.774 5.319 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.871 20.196 6.964 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.963 21.409 5.158 1.00 0.00 H new ATOM 0 HG3 PRO A 26 8.645 21.746 6.848 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.659 20.079 6.084 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.790 19.834 7.586 1.00 0.00 H new ATOM 261 N TYR A 27 6.683 18.050 3.437 1.00 0.00 N ATOM 262 CA TYR A 27 6.460 17.971 1.998 1.00 0.00 C ATOM 263 C TYR A 27 4.981 18.114 1.662 1.00 0.00 C ATOM 264 O TYR A 27 4.125 17.524 2.321 1.00 0.00 O ATOM 265 CB TYR A 27 6.998 16.649 1.445 1.00 0.00 C ATOM 266 CG TYR A 27 8.492 16.479 1.610 1.00 0.00 C ATOM 267 CD1 TYR A 27 9.376 17.042 0.702 1.00 0.00 C ATOM 268 CD2 TYR A 27 9.015 15.754 2.671 1.00 0.00 C ATOM 269 CE1 TYR A 27 10.741 16.891 0.846 1.00 0.00 C ATOM 270 CE2 TYR A 27 10.378 15.596 2.825 1.00 0.00 C ATOM 271 CZ TYR A 27 11.239 16.166 1.909 1.00 0.00 C ATOM 272 OH TYR A 27 12.598 16.011 2.057 1.00 0.00 O ATOM 0 H TYR A 27 6.029 17.502 3.996 1.00 0.00 H new ATOM 0 HA TYR A 27 6.998 18.796 1.531 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.491 15.824 1.945 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.749 16.581 0.386 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.990 17.609 -0.133 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.344 15.305 3.389 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.415 17.338 0.130 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.768 15.030 3.658 1.00 0.00 H new ATOM 0 HH TYR A 27 13.059 16.792 1.685 1.00 0.00 H new ATOM 282 N SER A 28 4.687 18.901 0.633 1.00 0.00 N ATOM 283 CA SER A 28 3.314 19.086 0.177 1.00 0.00 C ATOM 284 C SER A 28 2.832 17.882 -0.622 1.00 0.00 C ATOM 285 O SER A 28 3.628 17.034 -1.027 1.00 0.00 O ATOM 286 CB SER A 28 3.206 20.350 -0.653 1.00 0.00 C ATOM 287 OG SER A 28 3.772 20.194 -1.925 1.00 0.00 O ATOM 0 H SER A 28 5.382 19.422 0.098 1.00 0.00 H new ATOM 0 HA SER A 28 2.674 19.182 1.054 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.157 20.628 -0.755 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.704 21.169 -0.133 1.00 0.00 H new ATOM 0 HG SER A 28 4.748 20.246 -1.857 1.00 0.00 H new ATOM 293 N ALA A 29 1.524 17.814 -0.848 1.00 0.00 N ATOM 294 CA ALA A 29 0.943 16.757 -1.666 1.00 0.00 C ATOM 295 C ALA A 29 1.652 16.648 -3.010 1.00 0.00 C ATOM 296 O ALA A 29 1.783 15.558 -3.568 1.00 0.00 O ATOM 297 CB ALA A 29 -0.546 17.001 -1.867 1.00 0.00 C ATOM 0 H ALA A 29 0.846 18.479 -0.476 1.00 0.00 H new ATOM 0 HA ALA A 29 1.076 15.812 -1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.966 16.203 -2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.046 17.016 -0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.694 17.958 -2.367 1.00 0.00 H new ATOM 303 N GLN A 30 2.108 17.784 -3.527 1.00 0.00 N ATOM 304 CA GLN A 30 2.808 17.818 -4.805 1.00 0.00 C ATOM 305 C GLN A 30 4.230 17.289 -4.670 1.00 0.00 C ATOM 306 O GLN A 30 4.765 16.675 -5.592 1.00 0.00 O ATOM 307 CB GLN A 30 2.838 19.244 -5.362 1.00 0.00 C ATOM 308 CG GLN A 30 1.482 19.769 -5.801 1.00 0.00 C ATOM 309 CD GLN A 30 1.551 21.196 -6.314 1.00 0.00 C ATOM 310 OE1 GLN A 30 2.610 21.829 -6.285 1.00 0.00 O ATOM 311 NE2 GLN A 30 0.420 21.710 -6.782 1.00 0.00 N ATOM 0 H GLN A 30 2.005 18.695 -3.079 1.00 0.00 H new ATOM 0 HA GLN A 30 2.265 17.174 -5.496 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.245 19.911 -4.602 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.520 19.276 -6.212 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.082 19.124 -6.583 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.788 19.721 -4.962 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.432 21.149 -6.786 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.403 22.666 -7.137 1.00 0.00 H new ATOM 320 N ASP A 31 4.838 17.532 -3.514 1.00 0.00 N ATOM 321 CA ASP A 31 6.215 17.116 -3.270 1.00 0.00 C ATOM 322 C ASP A 31 6.307 15.609 -3.068 1.00 0.00 C ATOM 323 O ASP A 31 7.183 14.952 -3.630 1.00 0.00 O ATOM 324 CB ASP A 31 6.787 17.846 -2.053 1.00 0.00 C ATOM 325 CG ASP A 31 6.976 19.344 -2.248 1.00 0.00 C ATOM 326 OD1 ASP A 31 7.438 19.733 -3.295 1.00 0.00 O ATOM 327 OD2 ASP A 31 6.515 20.094 -1.421 1.00 0.00 O ATOM 0 H ASP A 31 4.399 18.015 -2.730 1.00 0.00 H new ATOM 0 HA ASP A 31 6.804 17.378 -4.149 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.124 17.684 -1.203 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.749 17.401 -1.797 1.00 0.00 H new ATOM 332 N VAL A 32 5.400 15.068 -2.264 1.00 0.00 N ATOM 333 CA VAL A 32 5.403 13.643 -1.953 1.00 0.00 C ATOM 334 C VAL A 32 5.143 12.808 -3.201 1.00 0.00 C ATOM 335 O VAL A 32 5.852 11.838 -3.468 1.00 0.00 O ATOM 336 CB VAL A 32 4.349 13.295 -0.886 1.00 0.00 C ATOM 337 CG1 VAL A 32 4.252 11.788 -0.705 1.00 0.00 C ATOM 338 CG2 VAL A 32 4.686 13.968 0.435 1.00 0.00 C ATOM 0 H VAL A 32 4.651 15.595 -1.815 1.00 0.00 H new ATOM 0 HA VAL A 32 6.393 13.409 -1.561 1.00 0.00 H new ATOM 0 HB VAL A 32 3.381 13.665 -1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.502 11.560 0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.965 11.326 -1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.219 11.397 -0.388 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.930 13.711 1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.663 13.627 0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.707 15.049 0.298 1.00 0.00 H new ATOM 348 N PHE A 33 4.123 13.190 -3.961 1.00 0.00 N ATOM 349 CA PHE A 33 3.815 12.524 -5.221 1.00 0.00 C ATOM 350 C PHE A 33 4.970 12.646 -6.206 1.00 0.00 C ATOM 351 O PHE A 33 5.474 11.644 -6.714 1.00 0.00 O ATOM 352 CB PHE A 33 2.538 13.103 -5.833 1.00 0.00 C ATOM 353 CG PHE A 33 2.307 12.688 -7.258 1.00 0.00 C ATOM 354 CD1 PHE A 33 2.074 11.358 -7.579 1.00 0.00 C ATOM 355 CD2 PHE A 33 2.321 13.625 -8.280 1.00 0.00 C ATOM 356 CE1 PHE A 33 1.862 10.974 -8.889 1.00 0.00 C ATOM 357 CE2 PHE A 33 2.107 13.244 -9.591 1.00 0.00 C ATOM 358 CZ PHE A 33 1.878 11.917 -9.895 1.00 0.00 C ATOM 0 H PHE A 33 3.495 13.958 -3.726 1.00 0.00 H new ATOM 0 HA PHE A 33 3.659 11.466 -5.010 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.684 12.792 -5.231 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.584 14.191 -5.784 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.058 10.615 -6.796 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.501 14.664 -8.049 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.684 9.935 -9.125 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.119 13.984 -10.377 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.712 11.618 -10.919 1.00 0.00 H new ATOM 368 N GLY A 34 5.386 13.879 -6.474 1.00 0.00 N ATOM 369 CA GLY A 34 6.404 14.142 -7.483 1.00 0.00 C ATOM 370 C GLY A 34 7.671 13.342 -7.208 1.00 0.00 C ATOM 371 O GLY A 34 8.276 12.786 -8.125 1.00 0.00 O ATOM 0 H GLY A 34 5.033 14.713 -6.005 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.017 13.887 -8.469 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.639 15.206 -7.498 1.00 0.00 H new ATOM 375 N ASN A 35 8.067 13.287 -5.941 1.00 0.00 N ATOM 376 CA ASN A 35 9.310 12.630 -5.555 1.00 0.00 C ATOM 377 C ASN A 35 9.181 11.114 -5.636 1.00 0.00 C ATOM 378 O ASN A 35 10.098 10.426 -6.085 1.00 0.00 O ATOM 379 CB ASN A 35 9.749 13.046 -4.163 1.00 0.00 C ATOM 380 CG ASN A 35 10.272 14.454 -4.088 1.00 0.00 C ATOM 381 OD1 ASN A 35 10.676 15.042 -5.098 1.00 0.00 O ATOM 382 ND2 ASN A 35 10.341 14.967 -2.887 1.00 0.00 N ATOM 0 H ASN A 35 7.544 13.690 -5.163 1.00 0.00 H new ATOM 0 HA ASN A 35 10.075 12.949 -6.263 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.905 12.945 -3.480 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.523 12.362 -3.816 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.743 15.895 -2.751 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.993 14.440 -2.086 1.00 0.00 H new ATOM 389 N LEU A 36 8.037 10.599 -5.199 1.00 0.00 N ATOM 390 CA LEU A 36 7.810 9.160 -5.161 1.00 0.00 C ATOM 391 C LEU A 36 7.294 8.648 -6.500 1.00 0.00 C ATOM 392 O LEU A 36 7.172 7.441 -6.710 1.00 0.00 O ATOM 393 CB LEU A 36 6.825 8.807 -4.040 1.00 0.00 C ATOM 394 CG LEU A 36 7.288 9.175 -2.625 1.00 0.00 C ATOM 395 CD1 LEU A 36 6.201 8.833 -1.614 1.00 0.00 C ATOM 396 CD2 LEU A 36 8.576 8.431 -2.303 1.00 0.00 C ATOM 0 H LEU A 36 7.252 11.158 -4.866 1.00 0.00 H new ATOM 0 HA LEU A 36 8.764 8.673 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.879 9.310 -4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.629 7.735 -4.074 1.00 0.00 H new ATOM 0 HG LEU A 36 7.478 10.247 -2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.539 9.098 -0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.295 9.391 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.989 7.764 -1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.905 8.692 -1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.400 7.357 -2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.347 8.710 -3.021 1.00 0.00 H new ATOM 408 N GLN A 37 6.991 9.575 -7.405 1.00 0.00 N ATOM 409 CA GLN A 37 6.574 9.219 -8.755 1.00 0.00 C ATOM 410 C GLN A 37 7.722 8.599 -9.542 1.00 0.00 C ATOM 411 O GLN A 37 7.528 7.642 -10.292 1.00 0.00 O ATOM 412 CB GLN A 37 6.047 10.451 -9.496 1.00 0.00 C ATOM 413 CG GLN A 37 5.559 10.168 -10.907 1.00 0.00 C ATOM 414 CD GLN A 37 5.082 11.421 -11.616 1.00 0.00 C ATOM 415 OE1 GLN A 37 5.245 12.536 -11.113 1.00 0.00 O ATOM 416 NE2 GLN A 37 4.485 11.245 -12.789 1.00 0.00 N ATOM 0 H GLN A 37 7.027 10.579 -7.226 1.00 0.00 H new ATOM 0 HA GLN A 37 5.776 8.482 -8.670 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.229 10.885 -8.921 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.838 11.200 -9.540 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.365 9.713 -11.483 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.746 9.443 -10.869 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.371 10.305 -13.167 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.140 12.050 -13.312 1.00 0.00 H new ATOM 425 N LYS A 38 8.918 9.149 -9.365 1.00 0.00 N ATOM 426 CA LYS A 38 10.085 8.702 -10.115 1.00 0.00 C ATOM 427 C LYS A 38 10.818 7.586 -9.380 1.00 0.00 C ATOM 428 O LYS A 38 11.526 6.786 -9.993 1.00 0.00 O ATOM 429 CB LYS A 38 11.035 9.871 -10.376 1.00 0.00 C ATOM 430 CG LYS A 38 10.456 10.966 -11.263 1.00 0.00 C ATOM 431 CD LYS A 38 11.465 12.080 -11.496 1.00 0.00 C ATOM 432 CE LYS A 38 10.891 13.168 -12.393 1.00 0.00 C ATOM 433 NZ LYS A 38 11.866 14.268 -12.625 1.00 0.00 N ATOM 0 H LYS A 38 9.105 9.906 -8.708 1.00 0.00 H new ATOM 0 HA LYS A 38 9.736 8.310 -11.070 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.324 10.309 -9.421 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.944 9.488 -10.839 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.154 10.540 -12.220 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.559 11.376 -10.799 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.760 12.512 -10.540 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.366 11.668 -11.951 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.599 12.734 -13.349 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.987 13.574 -11.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.437 14.988 -13.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.125 14.700 -11.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.718 13.886 -13.082 1.00 0.00 H new ATOM 447 N GLU A 39 10.644 7.537 -8.064 1.00 0.00 N ATOM 448 CA GLU A 39 11.374 6.591 -7.229 1.00 0.00 C ATOM 449 C GLU A 39 10.632 5.265 -7.121 1.00 0.00 C ATOM 450 O GLU A 39 11.239 4.196 -7.173 1.00 0.00 O ATOM 451 CB GLU A 39 11.610 7.177 -5.835 1.00 0.00 C ATOM 452 CG GLU A 39 12.571 8.356 -5.804 1.00 0.00 C ATOM 453 CD GLU A 39 12.746 8.881 -4.405 1.00 0.00 C ATOM 454 OE1 GLU A 39 12.122 8.359 -3.513 1.00 0.00 O ATOM 455 OE2 GLU A 39 13.588 9.726 -4.210 1.00 0.00 O ATOM 0 H GLU A 39 10.003 8.143 -7.552 1.00 0.00 H new ATOM 0 HA GLU A 39 12.338 6.404 -7.702 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.653 7.493 -5.420 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.996 6.392 -5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.538 8.051 -6.204 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.196 9.151 -6.449 1.00 0.00 H new ATOM 462 N HIS A 40 9.314 5.341 -6.969 1.00 0.00 N ATOM 463 CA HIS A 40 8.502 4.158 -6.712 1.00 0.00 C ATOM 464 C HIS A 40 7.440 3.974 -7.787 1.00 0.00 C ATOM 465 O HIS A 40 7.103 2.849 -8.156 1.00 0.00 O ATOM 466 CB HIS A 40 7.842 4.243 -5.332 1.00 0.00 C ATOM 467 CG HIS A 40 8.816 4.211 -4.196 1.00 0.00 C ATOM 468 ND1 HIS A 40 9.408 5.350 -3.691 1.00 0.00 N ATOM 469 CD2 HIS A 40 9.301 3.179 -3.467 1.00 0.00 C ATOM 470 CE1 HIS A 40 10.217 5.018 -2.700 1.00 0.00 C ATOM 471 NE2 HIS A 40 10.170 3.708 -2.544 1.00 0.00 N ATOM 0 H HIS A 40 8.785 6.212 -7.020 1.00 0.00 H new ATOM 0 HA HIS A 40 9.165 3.293 -6.733 1.00 0.00 H new ATOM 0 HB2 HIS A 40 7.260 5.162 -5.274 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.142 3.415 -5.222 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.052 2.135 -3.588 1.00 0.00 H new ATOM 0 HE1 HIS A 40 10.815 5.702 -2.117 1.00 0.00 H new ATOM 0 HE2 HIS A 40 10.694 3.175 -1.850 1.00 0.00 H new ATOM 479 N GLY A 41 6.913 5.086 -8.287 1.00 0.00 N ATOM 480 CA GLY A 41 5.921 5.052 -9.356 1.00 0.00 C ATOM 481 C GLY A 41 4.506 5.050 -8.794 1.00 0.00 C ATOM 482 O GLY A 41 3.597 4.457 -9.376 1.00 0.00 O ATOM 0 H GLY A 41 7.157 6.024 -7.969 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.055 5.915 -10.008 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.073 4.163 -9.969 1.00 0.00 H new ATOM 486 N LEU A 42 4.324 5.716 -7.659 1.00 0.00 N ATOM 487 CA LEU A 42 3.013 5.811 -7.027 1.00 0.00 C ATOM 488 C LEU A 42 2.104 6.770 -7.784 1.00 0.00 C ATOM 489 O LEU A 42 2.548 7.810 -8.268 1.00 0.00 O ATOM 490 CB LEU A 42 3.160 6.256 -5.566 1.00 0.00 C ATOM 491 CG LEU A 42 3.914 5.276 -4.658 1.00 0.00 C ATOM 492 CD1 LEU A 42 4.069 5.870 -3.264 1.00 0.00 C ATOM 493 CD2 LEU A 42 3.162 3.955 -4.600 1.00 0.00 C ATOM 0 H LEU A 42 5.069 6.199 -7.157 1.00 0.00 H new ATOM 0 HA LEU A 42 2.553 4.823 -7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.676 7.216 -5.545 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.166 6.420 -5.151 1.00 0.00 H new ATOM 0 HG LEU A 42 4.909 5.096 -5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.605 5.167 -2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.629 6.803 -3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.084 6.065 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.698 3.259 -3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.162 4.123 -4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.086 3.535 -5.603 1.00 0.00 H new ATOM 505 N GLY A 43 0.828 6.412 -7.884 1.00 0.00 N ATOM 506 CA GLY A 43 -0.150 7.249 -8.569 1.00 0.00 C ATOM 507 C GLY A 43 -0.535 8.455 -7.722 1.00 0.00 C ATOM 508 O GLY A 43 -0.361 8.449 -6.503 1.00 0.00 O ATOM 0 H GLY A 43 0.447 5.548 -7.499 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.260 7.586 -9.521 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.040 6.662 -8.795 1.00 0.00 H new ATOM 512 N LYS A 44 -1.059 9.487 -8.373 1.00 0.00 N ATOM 513 CA LYS A 44 -1.414 10.724 -7.689 1.00 0.00 C ATOM 514 C LYS A 44 -2.533 10.495 -6.681 1.00 0.00 C ATOM 515 O LYS A 44 -2.463 10.961 -5.544 1.00 0.00 O ATOM 516 CB LYS A 44 -1.829 11.795 -8.699 1.00 0.00 C ATOM 517 CG LYS A 44 -2.120 13.159 -8.087 1.00 0.00 C ATOM 518 CD LYS A 44 -2.388 14.202 -9.162 1.00 0.00 C ATOM 519 CE LYS A 44 -2.696 15.561 -8.550 1.00 0.00 C ATOM 520 NZ LYS A 44 -2.968 16.590 -9.590 1.00 0.00 N ATOM 0 H LYS A 44 -1.248 9.491 -9.375 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.533 11.069 -7.148 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.037 11.904 -9.440 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.717 11.452 -9.230 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.983 13.086 -7.425 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.274 13.473 -7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.520 14.284 -9.817 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.226 13.882 -9.782 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.559 15.475 -7.890 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.855 15.881 -7.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.173 17.501 -9.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.135 16.691 -10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.786 16.298 -10.162 1.00 0.00 H new ATOM 534 N ALA A 45 -3.566 9.773 -7.104 1.00 0.00 N ATOM 535 CA ALA A 45 -4.677 9.435 -6.224 1.00 0.00 C ATOM 536 C ALA A 45 -4.222 8.527 -5.088 1.00 0.00 C ATOM 537 O ALA A 45 -4.703 8.640 -3.960 1.00 0.00 O ATOM 538 CB ALA A 45 -5.799 8.778 -7.014 1.00 0.00 C ATOM 0 H ALA A 45 -3.656 9.410 -8.053 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.053 10.359 -5.785 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.621 8.532 -6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.152 9.464 -7.784 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.428 7.867 -7.483 1.00 0.00 H new ATOM 544 N ALA A 46 -3.292 7.628 -5.391 1.00 0.00 N ATOM 545 CA ALA A 46 -2.756 6.713 -4.391 1.00 0.00 C ATOM 546 C ALA A 46 -1.991 7.465 -3.309 1.00 0.00 C ATOM 547 O ALA A 46 -2.133 7.177 -2.121 1.00 0.00 O ATOM 548 CB ALA A 46 -1.862 5.672 -5.050 1.00 0.00 C ATOM 0 H ALA A 46 -2.893 7.514 -6.323 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.595 6.205 -3.916 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.469 4.996 -4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.441 5.103 -5.777 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.034 6.170 -5.555 1.00 0.00 H new ATOM 554 N VAL A 47 -1.180 8.431 -3.729 1.00 0.00 N ATOM 555 CA VAL A 47 -0.381 9.219 -2.797 1.00 0.00 C ATOM 556 C VAL A 47 -1.265 10.100 -1.924 1.00 0.00 C ATOM 557 O VAL A 47 -1.127 10.115 -0.700 1.00 0.00 O ATOM 558 CB VAL A 47 0.639 10.104 -3.537 1.00 0.00 C ATOM 559 CG1 VAL A 47 1.264 11.109 -2.581 1.00 0.00 C ATOM 560 CG2 VAL A 47 1.716 9.247 -4.185 1.00 0.00 C ATOM 0 H VAL A 47 -1.059 8.687 -4.709 1.00 0.00 H new ATOM 0 HA VAL A 47 0.157 8.511 -2.166 1.00 0.00 H new ATOM 0 HB VAL A 47 0.115 10.652 -4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.982 11.726 -3.121 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.484 11.744 -2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.774 10.578 -1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.428 9.889 -4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.236 8.674 -3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.256 8.564 -4.899 1.00 0.00 H new ATOM 570 N VAL A 48 -2.172 10.835 -2.559 1.00 0.00 N ATOM 571 CA VAL A 48 -3.048 11.757 -1.846 1.00 0.00 C ATOM 572 C VAL A 48 -3.943 11.015 -0.862 1.00 0.00 C ATOM 573 O VAL A 48 -4.118 11.445 0.278 1.00 0.00 O ATOM 574 CB VAL A 48 -3.928 12.566 -2.816 1.00 0.00 C ATOM 575 CG1 VAL A 48 -4.985 13.348 -2.051 1.00 0.00 C ATOM 576 CG2 VAL A 48 -3.073 13.506 -3.653 1.00 0.00 C ATOM 0 H VAL A 48 -2.320 10.810 -3.568 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.402 12.444 -1.299 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.432 11.869 -3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.598 13.914 -2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.617 12.656 -1.493 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.499 14.035 -1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.711 14.070 -4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.542 14.196 -2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.352 12.926 -4.229 1.00 0.00 H new ATOM 586 N LYS A 49 -4.509 9.900 -1.309 1.00 0.00 N ATOM 587 CA LYS A 49 -5.325 9.054 -0.446 1.00 0.00 C ATOM 588 C LYS A 49 -4.511 8.514 0.723 1.00 0.00 C ATOM 589 O LYS A 49 -4.970 8.519 1.865 1.00 0.00 O ATOM 590 CB LYS A 49 -5.929 7.897 -1.244 1.00 0.00 C ATOM 591 CG LYS A 49 -6.823 6.971 -0.431 1.00 0.00 C ATOM 592 CD LYS A 49 -7.440 5.889 -1.305 1.00 0.00 C ATOM 593 CE LYS A 49 -8.303 4.940 -0.486 1.00 0.00 C ATOM 594 NZ LYS A 49 -8.891 3.861 -1.324 1.00 0.00 N ATOM 0 H LYS A 49 -4.418 9.560 -2.266 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.133 9.667 -0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.508 8.306 -2.072 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.120 7.311 -1.680 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.242 6.509 0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.613 7.551 0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.044 6.350 -2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.650 5.327 -1.803 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.702 4.496 0.308 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.103 5.502 -0.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.472 3.236 -0.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.485 4.283 -2.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.128 3.308 -1.764 1.00 0.00 H new ATOM 608 N ALA A 50 -3.301 8.049 0.431 1.00 0.00 N ATOM 609 CA ALA A 50 -2.427 7.490 1.455 1.00 0.00 C ATOM 610 C ALA A 50 -2.012 8.552 2.465 1.00 0.00 C ATOM 611 O ALA A 50 -1.860 8.267 3.653 1.00 0.00 O ATOM 612 CB ALA A 50 -1.202 6.854 0.816 1.00 0.00 C ATOM 0 H ALA A 50 -2.903 8.048 -0.508 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.983 6.720 1.989 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.559 6.441 1.593 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.516 6.056 0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.652 7.608 0.253 1.00 0.00 H new ATOM 618 N LEU A 51 -1.830 9.778 1.987 1.00 0.00 N ATOM 619 CA LEU A 51 -1.456 10.890 2.852 1.00 0.00 C ATOM 620 C LEU A 51 -2.537 11.171 3.888 1.00 0.00 C ATOM 621 O LEU A 51 -2.240 11.441 5.052 1.00 0.00 O ATOM 622 CB LEU A 51 -1.183 12.145 2.013 1.00 0.00 C ATOM 623 CG LEU A 51 0.152 12.147 1.257 1.00 0.00 C ATOM 624 CD1 LEU A 51 0.181 13.289 0.250 1.00 0.00 C ATOM 625 CD2 LEU A 51 1.299 12.275 2.250 1.00 0.00 C ATOM 0 H LEU A 51 -1.936 10.027 1.003 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.546 10.613 3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.991 12.263 1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.212 13.015 2.669 1.00 0.00 H new ATOM 0 HG LEU A 51 0.262 11.209 0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.133 13.282 -0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.634 13.166 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.065 14.238 0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.247 12.276 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.196 13.206 2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.276 11.434 2.943 1.00 0.00 H new ATOM 637 N ASP A 52 -3.793 11.103 3.459 1.00 0.00 N ATOM 638 CA ASP A 52 -4.921 11.313 4.356 1.00 0.00 C ATOM 639 C ASP A 52 -5.202 10.070 5.189 1.00 0.00 C ATOM 640 O ASP A 52 -5.683 10.163 6.318 1.00 0.00 O ATOM 641 CB ASP A 52 -6.170 11.709 3.564 1.00 0.00 C ATOM 642 CG ASP A 52 -6.078 13.066 2.881 1.00 0.00 C ATOM 643 OD1 ASP A 52 -5.729 14.019 3.537 1.00 0.00 O ATOM 644 OD2 ASP A 52 -6.202 13.113 1.680 1.00 0.00 O ATOM 0 H ASP A 52 -4.054 10.904 2.493 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.660 12.125 5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.362 10.948 2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.027 11.712 4.238 1.00 0.00 H new ATOM 649 N GLN A 53 -4.898 8.905 4.626 1.00 0.00 N ATOM 650 CA GLN A 53 -5.037 7.645 5.347 1.00 0.00 C ATOM 651 C GLN A 53 -4.077 7.578 6.527 1.00 0.00 C ATOM 652 O GLN A 53 -4.453 7.160 7.623 1.00 0.00 O ATOM 653 CB GLN A 53 -4.788 6.461 4.409 1.00 0.00 C ATOM 654 CG GLN A 53 -4.961 5.102 5.065 1.00 0.00 C ATOM 655 CD GLN A 53 -6.381 4.868 5.545 1.00 0.00 C ATOM 656 OE1 GLN A 53 -7.345 5.307 4.913 1.00 0.00 O ATOM 657 NE2 GLN A 53 -6.517 4.177 6.671 1.00 0.00 N ATOM 0 H GLN A 53 -4.553 8.807 3.671 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.057 7.592 5.728 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.470 6.533 3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.776 6.534 4.010 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.687 4.321 4.355 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.277 5.019 5.909 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.691 3.833 7.161 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.447 3.991 7.046 1.00 0.00 H new ATOM 666 N LEU A 54 -2.836 7.992 6.298 1.00 0.00 N ATOM 667 CA LEU A 54 -1.828 8.012 7.352 1.00 0.00 C ATOM 668 C LEU A 54 -2.193 9.009 8.444 1.00 0.00 C ATOM 669 O LEU A 54 -2.094 8.706 9.633 1.00 0.00 O ATOM 670 CB LEU A 54 -0.451 8.347 6.763 1.00 0.00 C ATOM 671 CG LEU A 54 0.161 7.257 5.875 1.00 0.00 C ATOM 672 CD1 LEU A 54 1.378 7.804 5.142 1.00 0.00 C ATOM 673 CD2 LEU A 54 0.541 6.057 6.729 1.00 0.00 C ATOM 0 H LEU A 54 -2.503 8.319 5.391 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.789 7.020 7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.536 9.264 6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.237 8.554 7.583 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.571 6.940 5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.806 7.023 4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.079 8.647 4.519 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.122 8.134 5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.976 5.283 6.096 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.268 6.362 7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.349 5.665 7.222 1.00 0.00 H new ATOM 685 N ALA A 55 -2.617 10.200 8.034 1.00 0.00 N ATOM 686 CA ALA A 55 -3.014 11.238 8.978 1.00 0.00 C ATOM 687 C ALA A 55 -4.232 10.811 9.787 1.00 0.00 C ATOM 688 O ALA A 55 -4.356 11.148 10.965 1.00 0.00 O ATOM 689 CB ALA A 55 -3.292 12.541 8.244 1.00 0.00 C ATOM 0 H ALA A 55 -2.694 10.470 7.054 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.189 11.395 9.673 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.587 13.307 8.961 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.392 12.862 7.720 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.096 12.389 7.524 1.00 0.00 H new ATOM 695 N GLN A 56 -5.128 10.067 9.149 1.00 0.00 N ATOM 696 CA GLN A 56 -6.309 9.543 9.825 1.00 0.00 C ATOM 697 C GLN A 56 -5.929 8.499 10.868 1.00 0.00 C ATOM 698 O GLN A 56 -6.516 8.447 11.949 1.00 0.00 O ATOM 699 CB GLN A 56 -7.279 8.929 8.811 1.00 0.00 C ATOM 700 CG GLN A 56 -8.593 8.459 9.411 1.00 0.00 C ATOM 701 CD GLN A 56 -9.394 9.598 10.013 1.00 0.00 C ATOM 702 OE1 GLN A 56 -9.544 10.662 9.403 1.00 0.00 O ATOM 703 NE2 GLN A 56 -9.913 9.386 11.217 1.00 0.00 N ATOM 0 H GLN A 56 -5.059 9.813 8.164 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.797 10.376 10.331 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.490 9.665 8.035 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.792 8.084 8.325 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.187 7.969 8.640 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.392 7.713 10.180 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.765 8.492 11.686 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.460 10.117 11.673 1.00 0.00 H new ATOM 712 N GLU A 57 -4.945 7.671 10.538 1.00 0.00 N ATOM 713 CA GLU A 57 -4.481 6.631 11.447 1.00 0.00 C ATOM 714 C GLU A 57 -3.607 7.213 12.551 1.00 0.00 C ATOM 715 O GLU A 57 -3.434 6.604 13.607 1.00 0.00 O ATOM 716 CB GLU A 57 -3.711 5.553 10.681 1.00 0.00 C ATOM 717 CG GLU A 57 -4.570 4.709 9.750 1.00 0.00 C ATOM 718 CD GLU A 57 -3.730 3.759 8.944 1.00 0.00 C ATOM 719 OE1 GLU A 57 -2.557 3.659 9.212 1.00 0.00 O ATOM 720 OE2 GLU A 57 -4.281 3.050 8.134 1.00 0.00 O ATOM 0 H GLU A 57 -4.452 7.700 9.645 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.358 6.178 11.909 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.925 6.031 10.097 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.220 4.895 11.398 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.299 4.147 10.334 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.131 5.360 9.080 1.00 0.00 H new ATOM 727 N GLY A 58 -3.058 8.397 12.301 1.00 0.00 N ATOM 728 CA GLY A 58 -2.226 9.079 13.285 1.00 0.00 C ATOM 729 C GLY A 58 -0.752 8.752 13.081 1.00 0.00 C ATOM 730 O GLY A 58 0.048 8.845 14.012 1.00 0.00 O ATOM 0 H GLY A 58 -3.175 8.905 11.424 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.376 10.156 13.209 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.531 8.785 14.289 1.00 0.00 H new ATOM 734 N LYS A 59 -0.399 8.369 11.859 1.00 0.00 N ATOM 735 CA LYS A 59 0.982 8.038 11.528 1.00 0.00 C ATOM 736 C LYS A 59 1.781 9.287 11.181 1.00 0.00 C ATOM 737 O LYS A 59 2.975 9.373 11.468 1.00 0.00 O ATOM 738 CB LYS A 59 1.031 7.043 10.367 1.00 0.00 C ATOM 739 CG LYS A 59 0.219 5.774 10.591 1.00 0.00 C ATOM 740 CD LYS A 59 0.769 4.964 11.755 1.00 0.00 C ATOM 741 CE LYS A 59 -0.043 3.697 11.981 1.00 0.00 C ATOM 742 NZ LYS A 59 0.481 2.896 13.120 1.00 0.00 N ATOM 0 H LYS A 59 -1.051 8.280 11.080 1.00 0.00 H new ATOM 0 HA LYS A 59 1.434 7.579 12.407 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.669 7.537 9.466 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.070 6.768 10.184 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.821 6.035 10.786 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.231 5.168 9.685 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.809 4.702 11.559 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.759 5.571 12.660 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.083 3.962 12.172 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.030 3.091 11.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.100 2.042 13.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.465 2.621 12.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.445 3.465 13.990 1.00 0.00 H new ATOM 756 N ILE A 60 1.114 10.257 10.563 1.00 0.00 N ATOM 757 CA ILE A 60 1.751 11.521 10.212 1.00 0.00 C ATOM 758 C ILE A 60 0.864 12.704 10.575 1.00 0.00 C ATOM 759 O ILE A 60 -0.315 12.536 10.886 1.00 0.00 O ATOM 760 CB ILE A 60 2.088 11.585 8.710 1.00 0.00 C ATOM 761 CG1 ILE A 60 0.808 11.514 7.873 1.00 0.00 C ATOM 762 CG2 ILE A 60 3.039 10.461 8.330 1.00 0.00 C ATOM 763 CD1 ILE A 60 1.041 11.675 6.388 1.00 0.00 C ATOM 0 H ILE A 60 0.132 10.191 10.295 1.00 0.00 H new ATOM 0 HA ILE A 60 2.677 11.577 10.785 1.00 0.00 H new ATOM 0 HB ILE A 60 2.581 12.535 8.505 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.320 10.556 8.053 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.121 12.290 8.210 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.267 10.521 7.266 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.961 10.555 8.904 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.572 9.500 8.547 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.089 11.613 5.861 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.500 12.644 6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.702 10.883 6.036 1.00 0.00 H new ATOM 775 N LYS A 61 1.439 13.901 10.534 1.00 0.00 N ATOM 776 CA LYS A 61 0.682 15.123 10.782 1.00 0.00 C ATOM 777 C LYS A 61 0.433 15.888 9.488 1.00 0.00 C ATOM 778 O LYS A 61 1.133 15.692 8.495 1.00 0.00 O ATOM 779 CB LYS A 61 1.414 16.012 11.787 1.00 0.00 C ATOM 780 CG LYS A 61 1.514 15.427 13.189 1.00 0.00 C ATOM 781 CD LYS A 61 2.177 16.402 14.150 1.00 0.00 C ATOM 782 CE LYS A 61 2.171 15.867 15.574 1.00 0.00 C ATOM 783 NZ LYS A 61 2.866 16.785 16.517 1.00 0.00 N ATOM 0 H LYS A 61 2.427 14.051 10.331 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.283 14.838 11.200 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.420 16.207 11.415 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.903 16.973 11.843 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.517 15.176 13.552 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.085 14.499 13.158 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.203 16.586 13.833 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.656 17.359 14.117 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.142 15.721 15.902 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.654 14.890 15.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.766 16.426 17.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.875 16.838 16.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.443 17.733 16.453 1.00 0.00 H new ATOM 797 N GLU A 62 -0.568 16.762 9.507 1.00 0.00 N ATOM 798 CA GLU A 62 -0.984 17.476 8.305 1.00 0.00 C ATOM 799 C GLU A 62 -1.323 18.928 8.617 1.00 0.00 C ATOM 800 O GLU A 62 -1.764 19.250 9.721 1.00 0.00 O ATOM 801 CB GLU A 62 -2.185 16.783 7.660 1.00 0.00 C ATOM 802 CG GLU A 62 -3.456 16.817 8.497 1.00 0.00 C ATOM 803 CD GLU A 62 -4.589 16.116 7.799 1.00 0.00 C ATOM 804 OE1 GLU A 62 -4.379 15.616 6.721 1.00 0.00 O ATOM 805 OE2 GLU A 62 -5.633 15.982 8.393 1.00 0.00 O ATOM 0 H GLU A 62 -1.106 16.993 10.342 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.149 17.464 7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.386 17.253 6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.925 15.744 7.459 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.272 16.344 9.461 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.734 17.852 8.698 1.00 0.00 H new ATOM 812 N LYS A 63 -1.116 19.802 7.638 1.00 0.00 N ATOM 813 CA LYS A 63 -1.514 21.200 7.761 1.00 0.00 C ATOM 814 C LYS A 63 -1.900 21.784 6.409 1.00 0.00 C ATOM 815 O LYS A 63 -1.581 21.218 5.363 1.00 0.00 O ATOM 816 CB LYS A 63 -0.389 22.024 8.387 1.00 0.00 C ATOM 817 CG LYS A 63 0.882 22.091 7.551 1.00 0.00 C ATOM 818 CD LYS A 63 1.965 22.899 8.252 1.00 0.00 C ATOM 819 CE LYS A 63 3.238 22.958 7.422 1.00 0.00 C ATOM 820 NZ LYS A 63 4.277 23.815 8.056 1.00 0.00 N ATOM 0 H LYS A 63 -0.674 19.567 6.749 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.387 21.241 8.412 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.750 23.038 8.559 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.146 21.603 9.362 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.246 21.082 7.358 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.660 22.540 6.583 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.603 23.910 8.439 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.182 22.454 9.223 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.631 21.950 7.289 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.006 23.344 6.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.128 23.828 7.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.912 24.783 8.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.518 23.433 8.993 1.00 0.00 H new ATOM 834 N THR A 64 -2.590 22.919 6.435 1.00 0.00 N ATOM 835 CA THR A 64 -3.028 23.578 5.210 1.00 0.00 C ATOM 836 C THR A 64 -2.129 24.760 4.869 1.00 0.00 C ATOM 837 O THR A 64 -1.914 25.648 5.695 1.00 0.00 O ATOM 838 CB THR A 64 -4.483 24.070 5.323 1.00 0.00 C ATOM 839 OG1 THR A 64 -5.351 22.952 5.552 1.00 0.00 O ATOM 840 CG2 THR A 64 -4.906 24.782 4.047 1.00 0.00 C ATOM 0 H THR A 64 -2.858 23.402 7.292 1.00 0.00 H new ATOM 0 HA THR A 64 -2.965 22.836 4.414 1.00 0.00 H new ATOM 0 HB THR A 64 -4.551 24.769 6.156 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.276 23.266 5.626 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.937 25.123 4.145 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.255 25.639 3.876 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.830 24.095 3.204 1.00 0.00 H new ATOM 848 N TYR A 65 -1.605 24.764 3.648 1.00 0.00 N ATOM 849 CA TYR A 65 -0.773 25.864 3.176 1.00 0.00 C ATOM 850 C TYR A 65 -1.316 26.446 1.876 1.00 0.00 C ATOM 851 O TYR A 65 -1.162 25.854 0.808 1.00 0.00 O ATOM 852 CB TYR A 65 0.671 25.398 2.979 1.00 0.00 C ATOM 853 CG TYR A 65 1.608 26.488 2.509 1.00 0.00 C ATOM 854 CD1 TYR A 65 2.141 27.405 3.403 1.00 0.00 C ATOM 855 CD2 TYR A 65 1.961 26.594 1.171 1.00 0.00 C ATOM 856 CE1 TYR A 65 2.998 28.402 2.978 1.00 0.00 C ATOM 857 CE2 TYR A 65 2.817 27.587 0.735 1.00 0.00 C ATOM 858 CZ TYR A 65 3.333 28.489 1.642 1.00 0.00 C ATOM 859 OH TYR A 65 4.187 29.479 1.213 1.00 0.00 O ATOM 0 H TYR A 65 -1.742 24.017 2.967 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.792 26.646 3.935 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.043 24.993 3.920 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.684 24.584 2.254 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.882 27.338 4.449 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.560 25.888 0.459 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.403 29.109 3.687 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.081 27.657 -0.310 1.00 0.00 H new ATOM 0 HH TYR A 65 4.320 29.399 0.245 1.00 0.00 H new ATOM 869 N GLY A 66 -1.951 27.609 1.974 1.00 0.00 N ATOM 870 CA GLY A 66 -2.589 28.232 0.821 1.00 0.00 C ATOM 871 C GLY A 66 -3.760 27.397 0.320 1.00 0.00 C ATOM 872 O GLY A 66 -4.725 27.164 1.049 1.00 0.00 O ATOM 0 H GLY A 66 -2.037 28.139 2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.939 29.229 1.090 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.859 28.356 0.021 1.00 0.00 H new ATOM 876 N LYS A 67 -3.668 26.945 -0.926 1.00 0.00 N ATOM 877 CA LYS A 67 -4.700 26.100 -1.512 1.00 0.00 C ATOM 878 C LYS A 67 -4.292 24.632 -1.485 1.00 0.00 C ATOM 879 O LYS A 67 -5.034 23.763 -1.941 1.00 0.00 O ATOM 880 CB LYS A 67 -4.999 26.535 -2.948 1.00 0.00 C ATOM 881 CG LYS A 67 -5.575 27.940 -3.071 1.00 0.00 C ATOM 882 CD LYS A 67 -5.854 28.298 -4.523 1.00 0.00 C ATOM 883 CE LYS A 67 -6.375 29.721 -4.654 1.00 0.00 C ATOM 884 NZ LYS A 67 -6.693 30.071 -6.065 1.00 0.00 N ATOM 0 H LYS A 67 -2.888 27.151 -1.550 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.603 26.214 -0.912 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.080 26.480 -3.531 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.700 25.828 -3.391 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.497 28.009 -2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.877 28.660 -2.644 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.941 28.188 -5.108 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.584 27.602 -4.937 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.269 29.837 -4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.630 30.417 -4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.045 31.049 -6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.835 29.985 -6.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.422 29.424 -6.427 1.00 0.00 H new ATOM 898 N GLN A 68 -3.107 24.364 -0.947 1.00 0.00 N ATOM 899 CA GLN A 68 -2.563 23.011 -0.929 1.00 0.00 C ATOM 900 C GLN A 68 -2.431 22.491 0.497 1.00 0.00 C ATOM 901 O GLN A 68 -2.643 23.228 1.460 1.00 0.00 O ATOM 902 CB GLN A 68 -1.198 22.972 -1.622 1.00 0.00 C ATOM 903 CG GLN A 68 -1.228 23.397 -3.080 1.00 0.00 C ATOM 904 CD GLN A 68 -2.072 22.471 -3.935 1.00 0.00 C ATOM 905 OE1 GLN A 68 -2.028 21.247 -3.781 1.00 0.00 O ATOM 906 NE2 GLN A 68 -2.846 23.050 -4.847 1.00 0.00 N ATOM 0 H GLN A 68 -2.505 25.066 -0.517 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.257 22.367 -1.469 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.509 23.620 -1.080 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.799 21.959 -1.558 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.620 24.411 -3.152 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.210 23.420 -3.470 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.852 24.066 -4.940 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.434 22.479 -5.453 1.00 0.00 H new ATOM 915 N LYS A 69 -2.076 21.217 0.626 1.00 0.00 N ATOM 916 CA LYS A 69 -1.853 20.612 1.933 1.00 0.00 C ATOM 917 C LYS A 69 -0.411 20.146 2.086 1.00 0.00 C ATOM 918 O LYS A 69 0.211 19.696 1.124 1.00 0.00 O ATOM 919 CB LYS A 69 -2.810 19.439 2.152 1.00 0.00 C ATOM 920 CG LYS A 69 -4.277 19.835 2.262 1.00 0.00 C ATOM 921 CD LYS A 69 -5.156 18.627 2.547 1.00 0.00 C ATOM 922 CE LYS A 69 -6.619 19.026 2.678 1.00 0.00 C ATOM 923 NZ LYS A 69 -7.488 17.859 2.991 1.00 0.00 N ATOM 0 H LYS A 69 -1.936 20.583 -0.161 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.047 21.373 2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.697 18.735 1.327 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.519 18.914 3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.398 20.571 3.057 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.598 20.310 1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.046 17.897 1.745 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.825 18.143 3.466 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.722 19.776 3.463 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.953 19.489 1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.476 18.174 3.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.410 17.154 2.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.186 17.432 3.890 1.00 0.00 H new ATOM 937 N ILE A 70 0.116 20.259 3.300 1.00 0.00 N ATOM 938 CA ILE A 70 1.467 19.795 3.595 1.00 0.00 C ATOM 939 C ILE A 70 1.453 18.696 4.651 1.00 0.00 C ATOM 940 O ILE A 70 0.775 18.812 5.672 1.00 0.00 O ATOM 941 CB ILE A 70 2.368 20.946 4.078 1.00 0.00 C ATOM 942 CG1 ILE A 70 2.527 21.997 2.976 1.00 0.00 C ATOM 943 CG2 ILE A 70 3.726 20.413 4.510 1.00 0.00 C ATOM 944 CD1 ILE A 70 3.297 23.223 3.409 1.00 0.00 C ATOM 0 H ILE A 70 -0.372 20.668 4.097 1.00 0.00 H new ATOM 0 HA ILE A 70 1.872 19.396 2.665 1.00 0.00 H new ATOM 0 HB ILE A 70 1.896 21.419 4.939 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.034 21.543 2.124 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.539 22.303 2.633 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.350 21.240 4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.595 19.700 5.324 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.207 19.917 3.667 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.368 23.921 2.575 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.780 23.702 4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.299 22.931 3.724 1.00 0.00 H new ATOM 956 N TYR A 71 2.205 17.630 4.398 1.00 0.00 N ATOM 957 CA TYR A 71 2.260 16.497 5.313 1.00 0.00 C ATOM 958 C TYR A 71 3.682 16.250 5.801 1.00 0.00 C ATOM 959 O TYR A 71 4.647 16.494 5.077 1.00 0.00 O ATOM 960 CB TYR A 71 1.711 15.238 4.639 1.00 0.00 C ATOM 961 CG TYR A 71 0.288 15.378 4.147 1.00 0.00 C ATOM 962 CD1 TYR A 71 0.010 15.994 2.936 1.00 0.00 C ATOM 963 CD2 TYR A 71 -0.775 14.890 4.894 1.00 0.00 C ATOM 964 CE1 TYR A 71 -1.288 16.125 2.482 1.00 0.00 C ATOM 965 CE2 TYR A 71 -2.076 15.014 4.449 1.00 0.00 C ATOM 966 CZ TYR A 71 -2.329 15.633 3.242 1.00 0.00 C ATOM 967 OH TYR A 71 -3.625 15.759 2.795 1.00 0.00 O ATOM 0 H TYR A 71 2.785 17.527 3.566 1.00 0.00 H new ATOM 0 HA TYR A 71 1.640 16.737 6.177 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.353 14.979 3.797 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.761 14.409 5.344 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.823 16.378 2.337 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.581 14.405 5.839 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.487 16.610 1.538 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.892 14.628 5.043 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.179 15.056 3.194 1.00 0.00 H new ATOM 977 N PHE A 72 3.804 15.766 7.033 1.00 0.00 N ATOM 978 CA PHE A 72 5.109 15.486 7.619 1.00 0.00 C ATOM 979 C PHE A 72 4.995 14.486 8.763 1.00 0.00 C ATOM 980 O PHE A 72 3.975 14.427 9.450 1.00 0.00 O ATOM 981 CB PHE A 72 5.762 16.778 8.113 1.00 0.00 C ATOM 982 CG PHE A 72 4.971 17.489 9.175 1.00 0.00 C ATOM 983 CD1 PHE A 72 3.957 18.370 8.833 1.00 0.00 C ATOM 984 CD2 PHE A 72 5.239 17.276 10.519 1.00 0.00 C ATOM 985 CE1 PHE A 72 3.230 19.025 9.808 1.00 0.00 C ATOM 986 CE2 PHE A 72 4.513 17.928 11.497 1.00 0.00 C ATOM 987 CZ PHE A 72 3.509 18.803 11.141 1.00 0.00 C ATOM 0 H PHE A 72 3.014 15.560 7.645 1.00 0.00 H new ATOM 0 HA PHE A 72 5.736 15.047 6.843 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.753 16.547 8.504 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.902 17.450 7.266 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.733 18.547 7.791 1.00 0.00 H new ATOM 0 HD2 PHE A 72 6.025 16.592 10.804 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.444 19.710 9.527 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.732 17.752 12.540 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.941 19.314 11.905 1.00 0.00 H new ATOM 997 N ALA A 73 6.050 13.701 8.963 1.00 0.00 N ATOM 998 CA ALA A 73 6.087 12.731 10.051 1.00 0.00 C ATOM 999 C ALA A 73 6.509 13.387 11.358 1.00 0.00 C ATOM 1000 O ALA A 73 7.334 14.301 11.368 1.00 0.00 O ATOM 1001 CB ALA A 73 7.022 11.582 9.704 1.00 0.00 C ATOM 0 H ALA A 73 6.890 13.718 8.385 1.00 0.00 H new ATOM 0 HA ALA A 73 5.080 12.335 10.185 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.039 10.866 10.526 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.670 11.087 8.799 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.028 11.969 9.539 1.00 0.00 H new ATOM 1007 N ASP A 74 5.939 12.915 12.462 1.00 0.00 N ATOM 1008 CA ASP A 74 6.263 13.450 13.780 1.00 0.00 C ATOM 1009 C ASP A 74 5.856 12.481 14.882 1.00 0.00 C ATOM 1010 O ASP A 74 6.557 11.542 15.145 1.00 0.00 O ATOM 1011 CB ASP A 74 5.580 14.804 13.992 1.00 0.00 C ATOM 1012 CG ASP A 74 5.977 15.513 15.279 1.00 0.00 C ATOM 1013 OD1 ASP A 74 6.822 15.007 15.978 1.00 0.00 O ATOM 1014 OD2 ASP A 74 5.551 16.626 15.476 1.00 0.00 O ATOM 0 H ASP A 74 5.250 12.163 12.470 1.00 0.00 H new ATOM 0 HA ASP A 74 7.343 13.587 13.828 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.814 15.452 13.147 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.500 14.657 13.991 1.00 0.00 H new TER 1019 ASP A 74