USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 631 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 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 75 TYR OH : rot 50:sc= 0 USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= 0.109 USER MOD Set 2.2: A 19 GLN : amide:sc= 0.111 X(o=0.22,f=0) USER MOD Set 3.1: A 8 TYR OH : rot -171:sc= 1.07 USER MOD Set 3.2: A 82 HIS : no HD1:sc= 0.831 K(o=1.9,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0.926 K(o=0.93,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 59:sc= 0.528 USER MOD Single : A 21 HIS : no HD1:sc= -0.101 K(o=-0.1,f=-3.8!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -165:sc= -0.15 (180deg=-0.331) USER MOD Single : A 30 TYR OH : rot 73:sc= 0.137 USER MOD Single : A 32 THR OG1 : rot -77:sc= 1.2 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.246 K(o=-0.25,f=-1.6) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= -0.0231 (180deg=-0.25) USER MOD Single : A 39 GLN : amide:sc= -0.0542 K(o=-0.054,f=-3.5!) USER MOD Single : A 41 GLN : amide:sc= 0.162 X(o=0.16,f=-0.17) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.153 K(o=0.15,f=-1.8) USER MOD Single : A 52 SER OG : rot -31:sc= -0.236 USER MOD Single : A 53 HIS : no HE2:sc= 0.403 K(o=0.4,f=-2.3!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 144:sc= -1.76 (180deg=-7.98!) USER MOD Single : A 60 ASN : amide:sc= -0.0234 K(o=-0.023,f=-2.1!) USER MOD Single : A 61 TYR OH : rot 130:sc= 0 USER MOD Single : A 65 THR OG1 : rot -72:sc= 0.266 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.586 -21.578 -8.726 1.00 0.00 N ATOM 2 CA GLY A 1 -12.313 -21.829 -10.143 1.00 0.00 C ATOM 3 C GLY A 1 -11.123 -20.998 -10.546 1.00 0.00 C ATOM 4 O GLY A 1 -9.992 -21.483 -10.491 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.406 -22.143 -8.425 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.755 -21.845 -8.160 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.791 -20.568 -8.586 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.112 -22.887 -10.310 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.181 -21.570 -10.749 1.00 0.00 H new ATOM 8 N ALA A 2 -11.349 -19.726 -10.874 1.00 0.00 N ATOM 9 CA ALA A 2 -10.288 -18.741 -10.764 1.00 0.00 C ATOM 10 C ALA A 2 -9.837 -18.689 -9.298 1.00 0.00 C ATOM 11 O ALA A 2 -10.669 -18.820 -8.390 1.00 0.00 O ATOM 12 CB ALA A 2 -10.818 -17.393 -11.239 1.00 0.00 C ATOM 0 H ALA A 2 -12.241 -19.364 -11.211 1.00 0.00 H new ATOM 0 HA ALA A 2 -9.431 -19.003 -11.384 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.030 -16.644 -11.161 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.140 -17.474 -12.277 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.664 -17.095 -10.619 1.00 0.00 H new ATOM 18 N ALA A 3 -8.531 -18.548 -9.072 1.00 0.00 N ATOM 19 CA ALA A 3 -7.900 -18.549 -7.758 1.00 0.00 C ATOM 20 C ALA A 3 -6.626 -17.704 -7.777 1.00 0.00 C ATOM 21 O ALA A 3 -5.564 -18.160 -7.348 1.00 0.00 O ATOM 22 CB ALA A 3 -7.636 -19.997 -7.309 1.00 0.00 C ATOM 0 H ALA A 3 -7.860 -18.425 -9.830 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.571 -18.095 -7.029 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.164 -19.993 -6.326 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.580 -20.539 -7.256 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.976 -20.486 -8.026 1.00 0.00 H new ATOM 28 N GLY A 4 -6.704 -16.477 -8.290 1.00 0.00 N ATOM 29 CA GLY A 4 -5.618 -15.518 -8.259 1.00 0.00 C ATOM 30 C GLY A 4 -5.894 -14.438 -7.235 1.00 0.00 C ATOM 31 O GLY A 4 -6.795 -14.567 -6.403 1.00 0.00 O ATOM 0 H GLY A 4 -7.544 -16.122 -8.746 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.684 -16.025 -8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.493 -15.070 -9.245 1.00 0.00 H new ATOM 35 N ILE A 5 -5.083 -13.387 -7.282 1.00 0.00 N ATOM 36 CA ILE A 5 -4.965 -12.391 -6.220 1.00 0.00 C ATOM 37 C ILE A 5 -6.266 -11.657 -5.895 1.00 0.00 C ATOM 38 O ILE A 5 -6.386 -11.034 -4.844 1.00 0.00 O ATOM 39 CB ILE A 5 -3.854 -11.373 -6.528 1.00 0.00 C ATOM 40 CG1 ILE A 5 -4.162 -10.353 -7.641 1.00 0.00 C ATOM 41 CG2 ILE A 5 -2.529 -12.088 -6.819 1.00 0.00 C ATOM 42 CD1 ILE A 5 -3.083 -9.263 -7.684 1.00 0.00 C ATOM 0 H ILE A 5 -4.474 -13.198 -8.078 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.704 -12.964 -5.330 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.780 -10.777 -5.618 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.213 -10.861 -8.604 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.138 -9.900 -7.468 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.757 -11.350 -7.034 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.235 -12.678 -5.951 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.652 -12.746 -7.679 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.316 -8.551 -8.476 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.052 -8.743 -6.726 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.113 -9.719 -7.881 1.00 0.00 H new ATOM 54 N ASP A 6 -7.245 -11.743 -6.786 1.00 0.00 N ATOM 55 CA ASP A 6 -8.578 -11.193 -6.632 1.00 0.00 C ATOM 56 C ASP A 6 -9.256 -11.646 -5.339 1.00 0.00 C ATOM 57 O ASP A 6 -10.028 -10.891 -4.757 1.00 0.00 O ATOM 58 CB ASP A 6 -9.368 -11.660 -7.844 1.00 0.00 C ATOM 59 CG ASP A 6 -10.789 -11.119 -7.924 1.00 0.00 C ATOM 60 OD1 ASP A 6 -10.968 -9.901 -8.143 1.00 0.00 O ATOM 61 OD2 ASP A 6 -11.714 -11.959 -7.964 1.00 0.00 O ATOM 0 H ASP A 6 -7.121 -12.222 -7.678 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.529 -10.106 -6.568 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.831 -11.367 -8.746 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.408 -12.749 -7.837 1.00 0.00 H new ATOM 66 N GLN A 7 -8.919 -12.847 -4.860 1.00 0.00 N ATOM 67 CA GLN A 7 -9.405 -13.383 -3.589 1.00 0.00 C ATOM 68 C GLN A 7 -8.938 -12.576 -2.364 1.00 0.00 C ATOM 69 O GLN A 7 -9.588 -12.655 -1.321 1.00 0.00 O ATOM 70 CB GLN A 7 -9.029 -14.871 -3.465 1.00 0.00 C ATOM 71 CG GLN A 7 -7.545 -15.120 -3.163 1.00 0.00 C ATOM 72 CD GLN A 7 -7.138 -16.559 -3.458 1.00 0.00 C ATOM 73 OE1 GLN A 7 -7.304 -17.473 -2.653 1.00 0.00 O ATOM 74 NE2 GLN A 7 -6.604 -16.804 -4.644 1.00 0.00 N ATOM 0 H GLN A 7 -8.291 -13.482 -5.353 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.491 -13.290 -3.598 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.630 -15.322 -2.675 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.290 -15.379 -4.393 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -6.935 -14.441 -3.758 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.345 -14.894 -2.116 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -6.468 -16.043 -5.309 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -6.329 -17.754 -4.893 1.00 0.00 H new ATOM 83 N TYR A 8 -7.860 -11.791 -2.472 1.00 0.00 N ATOM 84 CA TYR A 8 -7.349 -10.914 -1.411 1.00 0.00 C ATOM 85 C TYR A 8 -7.619 -9.446 -1.744 1.00 0.00 C ATOM 86 O TYR A 8 -7.100 -8.569 -1.051 1.00 0.00 O ATOM 87 CB TYR A 8 -5.829 -11.083 -1.214 1.00 0.00 C ATOM 88 CG TYR A 8 -5.316 -12.503 -1.194 1.00 0.00 C ATOM 89 CD1 TYR A 8 -5.299 -13.248 -0.001 1.00 0.00 C ATOM 90 CD2 TYR A 8 -4.836 -13.063 -2.388 1.00 0.00 C ATOM 91 CE1 TYR A 8 -4.801 -14.567 -0.010 1.00 0.00 C ATOM 92 CE2 TYR A 8 -4.363 -14.383 -2.409 1.00 0.00 C ATOM 93 CZ TYR A 8 -4.345 -15.148 -1.221 1.00 0.00 C ATOM 94 OH TYR A 8 -3.881 -16.428 -1.269 1.00 0.00 O ATOM 0 H TYR A 8 -7.302 -11.747 -3.325 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.868 -11.199 -0.496 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.318 -10.545 -2.012 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.549 -10.604 -0.276 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.665 -12.812 0.917 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.831 -12.475 -3.294 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -4.767 -15.136 0.907 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -4.012 -14.815 -3.334 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.488 -16.601 -2.150 1.00 0.00 H new ATOM 104 N ALA A 9 -8.320 -9.152 -2.847 1.00 0.00 N ATOM 105 CA ALA A 9 -8.616 -7.792 -3.258 1.00 0.00 C ATOM 106 C ALA A 9 -9.634 -7.225 -2.274 1.00 0.00 C ATOM 107 O ALA A 9 -10.841 -7.436 -2.414 1.00 0.00 O ATOM 108 CB ALA A 9 -9.115 -7.770 -4.706 1.00 0.00 C ATOM 0 H ALA A 9 -8.695 -9.862 -3.476 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.722 -7.168 -3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.333 -6.743 -5.000 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.347 -8.180 -5.362 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.021 -8.371 -4.788 1.00 0.00 H new ATOM 114 N LEU A 10 -9.132 -6.526 -1.258 1.00 0.00 N ATOM 115 CA LEU A 10 -9.965 -5.840 -0.300 1.00 0.00 C ATOM 116 C LEU A 10 -10.620 -4.685 -1.026 1.00 0.00 C ATOM 117 O LEU A 10 -10.180 -4.246 -2.097 1.00 0.00 O ATOM 118 CB LEU A 10 -9.136 -5.318 0.885 1.00 0.00 C ATOM 119 CG LEU A 10 -8.759 -6.408 1.901 1.00 0.00 C ATOM 120 CD1 LEU A 10 -7.643 -5.909 2.813 1.00 0.00 C ATOM 121 CD2 LEU A 10 -9.961 -6.764 2.775 1.00 0.00 C ATOM 0 H LEU A 10 -8.132 -6.425 -1.084 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.710 -6.524 0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.224 -4.857 0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.699 -4.537 1.395 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.431 -7.286 1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.383 -6.688 3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.767 -5.660 2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.980 -5.022 3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.676 -7.537 3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.294 -5.877 3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.772 -7.132 2.146 1.00 0.00 H new ATOM 133 N LYS A 11 -11.662 -4.166 -0.396 1.00 0.00 N ATOM 134 CA LYS A 11 -12.402 -3.021 -0.886 1.00 0.00 C ATOM 135 C LYS A 11 -12.398 -1.883 0.142 1.00 0.00 C ATOM 136 O LYS A 11 -12.537 -0.716 -0.222 1.00 0.00 O ATOM 137 CB LYS A 11 -13.787 -3.498 -1.358 1.00 0.00 C ATOM 138 CG LYS A 11 -14.636 -4.148 -0.249 1.00 0.00 C ATOM 139 CD LYS A 11 -15.619 -5.225 -0.748 1.00 0.00 C ATOM 140 CE LYS A 11 -14.907 -6.536 -1.136 1.00 0.00 C ATOM 141 NZ LYS A 11 -15.845 -7.576 -1.621 1.00 0.00 N ATOM 0 H LYS A 11 -12.021 -4.537 0.484 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.922 -2.576 -1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.332 -2.648 -1.768 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.656 -4.215 -2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.969 -4.596 0.487 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.200 -3.369 0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.354 -5.431 0.030 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.166 -4.843 -1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.169 -6.328 -1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.363 -6.918 -0.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.313 -8.435 -1.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.534 -7.798 -0.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.347 -7.226 -2.462 1.00 0.00 H new ATOM 155 N GLU A 12 -12.107 -2.200 1.403 1.00 0.00 N ATOM 156 CA GLU A 12 -12.048 -1.285 2.531 1.00 0.00 C ATOM 157 C GLU A 12 -11.291 -1.992 3.660 1.00 0.00 C ATOM 158 O GLU A 12 -11.082 -3.208 3.589 1.00 0.00 O ATOM 159 CB GLU A 12 -13.475 -0.851 2.932 1.00 0.00 C ATOM 160 CG GLU A 12 -14.440 -2.003 3.255 1.00 0.00 C ATOM 161 CD GLU A 12 -15.899 -1.588 3.019 1.00 0.00 C ATOM 162 OE1 GLU A 12 -16.340 -1.530 1.846 1.00 0.00 O ATOM 163 OE2 GLU A 12 -16.591 -1.251 4.005 1.00 0.00 O ATOM 0 H GLU A 12 -11.894 -3.160 1.675 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.515 -0.368 2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -13.408 -0.198 3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.899 -0.259 2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.200 -2.867 2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.310 -2.310 4.293 1.00 0.00 H new ATOM 170 N PHE A 13 -10.847 -1.236 4.668 1.00 0.00 N ATOM 171 CA PHE A 13 -10.178 -1.715 5.885 1.00 0.00 C ATOM 172 C PHE A 13 -10.093 -0.562 6.899 1.00 0.00 C ATOM 173 O PHE A 13 -10.563 0.545 6.612 1.00 0.00 O ATOM 174 CB PHE A 13 -8.765 -2.264 5.592 1.00 0.00 C ATOM 175 CG PHE A 13 -7.712 -1.229 5.247 1.00 0.00 C ATOM 176 CD1 PHE A 13 -7.749 -0.548 4.016 1.00 0.00 C ATOM 177 CD2 PHE A 13 -6.674 -0.961 6.159 1.00 0.00 C ATOM 178 CE1 PHE A 13 -6.755 0.393 3.704 1.00 0.00 C ATOM 179 CE2 PHE A 13 -5.664 -0.047 5.830 1.00 0.00 C ATOM 180 CZ PHE A 13 -5.708 0.638 4.609 1.00 0.00 C ATOM 0 H PHE A 13 -10.949 -0.221 4.659 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.766 -2.537 6.294 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.425 -2.823 6.464 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -8.835 -2.972 4.766 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.542 -0.749 3.311 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.656 -1.462 7.116 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.795 0.929 2.767 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.851 0.129 6.519 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.938 1.354 4.363 1.00 0.00 H new ATOM 190 N THR A 14 -9.449 -0.799 8.046 1.00 0.00 N ATOM 191 CA THR A 14 -9.159 0.223 9.049 1.00 0.00 C ATOM 192 C THR A 14 -7.709 0.049 9.525 1.00 0.00 C ATOM 193 O THR A 14 -7.295 -1.069 9.834 1.00 0.00 O ATOM 194 CB THR A 14 -10.164 0.103 10.212 1.00 0.00 C ATOM 195 OG1 THR A 14 -11.487 0.067 9.706 1.00 0.00 O ATOM 196 CG2 THR A 14 -10.088 1.241 11.236 1.00 0.00 C ATOM 0 H THR A 14 -9.109 -1.725 8.306 1.00 0.00 H new ATOM 0 HA THR A 14 -9.264 1.222 8.625 1.00 0.00 H new ATOM 0 HB THR A 14 -9.894 -0.819 10.726 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.120 -0.011 10.450 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.829 1.077 12.018 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.092 1.266 11.679 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.289 2.191 10.740 1.00 0.00 H new ATOM 204 N ALA A 15 -6.925 1.128 9.611 1.00 0.00 N ATOM 205 CA ALA A 15 -5.590 1.125 10.210 1.00 0.00 C ATOM 206 C ALA A 15 -5.347 2.458 10.915 1.00 0.00 C ATOM 207 O ALA A 15 -5.859 3.491 10.479 1.00 0.00 O ATOM 208 CB ALA A 15 -4.522 0.870 9.150 1.00 0.00 C ATOM 0 H ALA A 15 -7.207 2.043 9.260 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.529 0.319 10.941 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.537 0.872 9.618 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.699 -0.098 8.681 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.566 1.653 8.393 1.00 0.00 H new ATOM 214 N ASP A 16 -4.544 2.457 11.983 1.00 0.00 N ATOM 215 CA ASP A 16 -4.286 3.624 12.846 1.00 0.00 C ATOM 216 C ASP A 16 -5.619 4.266 13.275 1.00 0.00 C ATOM 217 O ASP A 16 -5.802 5.483 13.266 1.00 0.00 O ATOM 218 CB ASP A 16 -3.302 4.586 12.152 1.00 0.00 C ATOM 219 CG ASP A 16 -2.020 4.884 12.947 1.00 0.00 C ATOM 220 OD1 ASP A 16 -1.067 4.070 12.876 1.00 0.00 O ATOM 221 OD2 ASP A 16 -1.931 5.981 13.542 1.00 0.00 O ATOM 0 H ASP A 16 -4.039 1.623 12.283 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.795 3.320 13.771 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.024 4.164 11.186 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.816 5.527 11.953 1.00 0.00 H new ATOM 226 N PHE A 17 -6.589 3.396 13.571 1.00 0.00 N ATOM 227 CA PHE A 17 -7.977 3.674 13.959 1.00 0.00 C ATOM 228 C PHE A 17 -8.803 4.422 12.906 1.00 0.00 C ATOM 229 O PHE A 17 -9.878 4.929 13.221 1.00 0.00 O ATOM 230 CB PHE A 17 -8.054 4.374 15.332 1.00 0.00 C ATOM 231 CG PHE A 17 -7.082 3.868 16.379 1.00 0.00 C ATOM 232 CD1 PHE A 17 -7.322 2.662 17.064 1.00 0.00 C ATOM 233 CD2 PHE A 17 -5.915 4.603 16.653 1.00 0.00 C ATOM 234 CE1 PHE A 17 -6.395 2.191 18.010 1.00 0.00 C ATOM 235 CE2 PHE A 17 -4.991 4.139 17.601 1.00 0.00 C ATOM 236 CZ PHE A 17 -5.226 2.930 18.274 1.00 0.00 C ATOM 0 H PHE A 17 -6.409 2.392 13.543 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.443 2.692 14.039 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -7.881 5.440 15.187 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.067 4.265 15.719 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.220 2.097 16.862 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.729 5.530 16.131 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.579 1.264 18.533 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.100 4.711 17.813 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.509 2.566 18.995 1.00 0.00 H new ATOM 246 N THR A 18 -8.337 4.475 11.664 1.00 0.00 N ATOM 247 CA THR A 18 -8.885 5.297 10.589 1.00 0.00 C ATOM 248 C THR A 18 -9.451 4.350 9.532 1.00 0.00 C ATOM 249 O THR A 18 -8.770 3.378 9.192 1.00 0.00 O ATOM 250 CB THR A 18 -7.744 6.144 10.010 1.00 0.00 C ATOM 251 OG1 THR A 18 -6.935 6.729 11.025 1.00 0.00 O ATOM 252 CG2 THR A 18 -8.234 7.273 9.109 1.00 0.00 C ATOM 0 H THR A 18 -7.533 3.923 11.365 1.00 0.00 H new ATOM 0 HA THR A 18 -9.674 5.962 10.940 1.00 0.00 H new ATOM 0 HB THR A 18 -7.159 5.438 9.421 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.557 6.023 11.590 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.379 7.834 8.732 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.791 6.854 8.271 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.882 7.939 9.679 1.00 0.00 H new ATOM 260 N GLN A 19 -10.680 4.577 9.058 1.00 0.00 N ATOM 261 CA GLN A 19 -11.275 3.747 8.017 1.00 0.00 C ATOM 262 C GLN A 19 -10.786 4.224 6.645 1.00 0.00 C ATOM 263 O GLN A 19 -10.447 5.399 6.468 1.00 0.00 O ATOM 264 CB GLN A 19 -12.808 3.825 8.095 1.00 0.00 C ATOM 265 CG GLN A 19 -13.481 2.736 7.244 1.00 0.00 C ATOM 266 CD GLN A 19 -14.463 1.883 8.033 1.00 0.00 C ATOM 267 OE1 GLN A 19 -15.592 2.298 8.276 1.00 0.00 O ATOM 268 NE2 GLN A 19 -14.060 0.694 8.448 1.00 0.00 N ATOM 0 H GLN A 19 -11.281 5.334 9.384 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.974 2.710 8.162 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.124 3.722 9.133 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.139 4.807 7.757 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.005 3.206 6.411 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.713 2.092 6.815 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.116 0.372 8.233 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.693 0.099 8.983 1.00 0.00 H new ATOM 277 N PHE A 20 -10.809 3.325 5.661 1.00 0.00 N ATOM 278 CA PHE A 20 -10.440 3.579 4.283 1.00 0.00 C ATOM 279 C PHE A 20 -11.238 2.692 3.348 1.00 0.00 C ATOM 280 O PHE A 20 -11.590 1.568 3.705 1.00 0.00 O ATOM 281 CB PHE A 20 -8.966 3.227 4.117 1.00 0.00 C ATOM 282 CG PHE A 20 -8.041 4.033 4.995 1.00 0.00 C ATOM 283 CD1 PHE A 20 -7.839 5.399 4.733 1.00 0.00 C ATOM 284 CD2 PHE A 20 -7.434 3.427 6.108 1.00 0.00 C ATOM 285 CE1 PHE A 20 -7.007 6.155 5.570 1.00 0.00 C ATOM 286 CE2 PHE A 20 -6.605 4.191 6.948 1.00 0.00 C ATOM 287 CZ PHE A 20 -6.384 5.553 6.674 1.00 0.00 C ATOM 0 H PHE A 20 -11.099 2.360 5.818 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.636 4.625 4.045 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.829 2.168 4.337 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.682 3.375 3.075 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.324 5.865 3.888 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.603 2.381 6.317 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.845 7.203 5.365 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.137 3.731 7.806 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.736 6.135 7.313 1.00 0.00 H new ATOM 297 N HIS A 21 -11.417 3.162 2.116 1.00 0.00 N ATOM 298 CA HIS A 21 -12.095 2.455 1.042 1.00 0.00 C ATOM 299 C HIS A 21 -11.262 2.647 -0.229 1.00 0.00 C ATOM 300 O HIS A 21 -10.382 3.516 -0.258 1.00 0.00 O ATOM 301 CB HIS A 21 -13.530 2.989 0.874 1.00 0.00 C ATOM 302 CG HIS A 21 -14.219 3.401 2.158 1.00 0.00 C ATOM 303 ND1 HIS A 21 -14.178 4.658 2.731 1.00 0.00 N ATOM 304 CD2 HIS A 21 -14.925 2.580 2.996 1.00 0.00 C ATOM 305 CE1 HIS A 21 -14.807 4.583 3.918 1.00 0.00 C ATOM 306 NE2 HIS A 21 -15.297 3.344 4.106 1.00 0.00 N ATOM 0 H HIS A 21 -11.079 4.081 1.831 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.182 1.391 1.264 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -13.505 3.847 0.202 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -14.132 2.221 0.388 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.152 1.537 2.830 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -14.905 5.399 4.619 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -15.839 3.022 4.908 1.00 0.00 H new ATOM 314 N ILE A 22 -11.513 1.869 -1.288 1.00 0.00 N ATOM 315 CA ILE A 22 -10.934 2.181 -2.596 1.00 0.00 C ATOM 316 C ILE A 22 -11.444 3.574 -2.974 1.00 0.00 C ATOM 317 O ILE A 22 -12.655 3.803 -2.981 1.00 0.00 O ATOM 318 CB ILE A 22 -11.287 1.140 -3.688 1.00 0.00 C ATOM 319 CG1 ILE A 22 -11.038 -0.330 -3.301 1.00 0.00 C ATOM 320 CG2 ILE A 22 -10.527 1.457 -4.987 1.00 0.00 C ATOM 321 CD1 ILE A 22 -9.652 -0.644 -2.727 1.00 0.00 C ATOM 0 H ILE A 22 -12.101 1.036 -1.266 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.846 2.153 -2.530 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.364 1.233 -3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.789 -0.625 -2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.193 -0.950 -4.184 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.783 0.719 -5.747 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.805 2.451 -5.338 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.454 1.426 -4.798 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.588 -1.706 -2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.888 -0.390 -3.461 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.493 -0.060 -1.821 1.00 0.00 H new ATOM 333 N GLY A 23 -10.531 4.490 -3.288 1.00 0.00 N ATOM 334 CA GLY A 23 -10.851 5.831 -3.743 1.00 0.00 C ATOM 335 C GLY A 23 -10.657 6.913 -2.684 1.00 0.00 C ATOM 336 O GLY A 23 -10.519 8.074 -3.071 1.00 0.00 O ATOM 0 H GLY A 23 -9.528 4.312 -3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.229 6.068 -4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.887 5.851 -4.081 1.00 0.00 H new ATOM 340 N ASP A 24 -10.611 6.563 -1.394 1.00 0.00 N ATOM 341 CA ASP A 24 -10.363 7.502 -0.289 1.00 0.00 C ATOM 342 C ASP A 24 -8.899 7.990 -0.342 1.00 0.00 C ATOM 343 O ASP A 24 -8.155 7.618 -1.252 1.00 0.00 O ATOM 344 CB ASP A 24 -10.736 6.848 1.063 1.00 0.00 C ATOM 345 CG ASP A 24 -12.239 6.837 1.339 1.00 0.00 C ATOM 346 OD1 ASP A 24 -13.003 6.288 0.524 1.00 0.00 O ATOM 347 OD2 ASP A 24 -12.677 7.265 2.429 1.00 0.00 O ATOM 0 H ASP A 24 -10.747 5.602 -1.080 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.999 8.381 -0.393 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.364 5.823 1.077 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.230 7.382 1.868 1.00 0.00 H new ATOM 352 N THR A 25 -8.428 8.790 0.619 1.00 0.00 N ATOM 353 CA THR A 25 -7.087 9.371 0.611 1.00 0.00 C ATOM 354 C THR A 25 -6.397 9.137 1.965 1.00 0.00 C ATOM 355 O THR A 25 -6.990 9.360 3.028 1.00 0.00 O ATOM 356 CB THR A 25 -7.165 10.866 0.230 1.00 0.00 C ATOM 357 OG1 THR A 25 -8.483 11.386 0.215 1.00 0.00 O ATOM 358 CG2 THR A 25 -6.568 11.153 -1.154 1.00 0.00 C ATOM 0 H THR A 25 -8.978 9.055 1.436 1.00 0.00 H new ATOM 0 HA THR A 25 -6.474 8.878 -0.144 1.00 0.00 H new ATOM 0 HB THR A 25 -6.587 11.354 1.015 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.458 12.334 -0.032 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.649 12.218 -1.371 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.518 10.859 -1.166 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.112 10.586 -1.910 1.00 0.00 H new ATOM 366 N VAL A 26 -5.151 8.658 1.934 1.00 0.00 N ATOM 367 CA VAL A 26 -4.353 8.252 3.096 1.00 0.00 C ATOM 368 C VAL A 26 -3.871 9.457 3.910 1.00 0.00 C ATOM 369 O VAL A 26 -3.960 10.594 3.435 1.00 0.00 O ATOM 370 CB VAL A 26 -3.188 7.354 2.628 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.727 6.167 1.823 1.00 0.00 C ATOM 372 CG2 VAL A 26 -2.062 8.053 1.860 1.00 0.00 C ATOM 0 H VAL A 26 -4.646 8.536 1.056 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.983 7.674 3.772 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.714 7.018 3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.896 5.541 1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.401 5.581 2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.267 6.534 0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.302 7.322 1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.467 8.513 0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.614 8.822 2.490 1.00 0.00 H new ATOM 382 N PRO A 27 -3.414 9.261 5.157 1.00 0.00 N ATOM 383 CA PRO A 27 -2.797 10.303 5.957 1.00 0.00 C ATOM 384 C PRO A 27 -1.386 10.631 5.487 1.00 0.00 C ATOM 385 O PRO A 27 -0.687 9.780 4.938 1.00 0.00 O ATOM 386 CB PRO A 27 -2.757 9.762 7.374 1.00 0.00 C ATOM 387 CG PRO A 27 -2.674 8.274 7.168 1.00 0.00 C ATOM 388 CD PRO A 27 -3.571 8.068 5.960 1.00 0.00 C ATOM 0 HA PRO A 27 -3.366 11.229 5.877 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.897 10.141 7.926 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.647 10.042 7.938 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.652 7.946 6.977 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.029 7.722 8.038 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.280 7.178 5.402 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.610 7.931 6.261 1.00 0.00 H new ATOM 396 N ALA A 28 -0.925 11.830 5.844 1.00 0.00 N ATOM 397 CA ALA A 28 0.365 12.375 5.461 1.00 0.00 C ATOM 398 C ALA A 28 1.519 11.506 5.960 1.00 0.00 C ATOM 399 O ALA A 28 2.567 11.471 5.316 1.00 0.00 O ATOM 400 CB ALA A 28 0.485 13.796 6.011 1.00 0.00 C ATOM 0 H ALA A 28 -1.465 12.467 6.430 1.00 0.00 H new ATOM 0 HA ALA A 28 0.428 12.391 4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.451 14.215 5.729 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.313 14.414 5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.403 13.774 7.098 1.00 0.00 H new ATOM 406 N MET A 29 1.346 10.782 7.073 1.00 0.00 N ATOM 407 CA MET A 29 2.352 9.921 7.611 1.00 0.00 C ATOM 408 C MET A 29 2.605 8.748 6.670 1.00 0.00 C ATOM 409 O MET A 29 3.757 8.324 6.568 1.00 0.00 O ATOM 410 CB MET A 29 1.911 9.490 9.014 1.00 0.00 C ATOM 411 CG MET A 29 0.496 8.913 9.150 1.00 0.00 C ATOM 412 SD MET A 29 0.021 8.527 10.853 1.00 0.00 S ATOM 413 CE MET A 29 -1.691 7.977 10.637 1.00 0.00 C ATOM 0 H MET A 29 0.483 10.793 7.617 1.00 0.00 H new ATOM 0 HA MET A 29 3.307 10.439 7.701 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.618 8.744 9.378 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.990 10.353 9.675 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.218 9.626 8.737 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.425 8.006 8.549 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.193 7.962 11.604 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.212 8.662 9.968 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.700 6.975 10.208 1.00 0.00 H new ATOM 423 N TYR A 30 1.590 8.242 5.947 1.00 0.00 N ATOM 424 CA TYR A 30 1.852 7.065 5.110 1.00 0.00 C ATOM 425 C TYR A 30 2.372 7.394 3.719 1.00 0.00 C ATOM 426 O TYR A 30 2.751 6.472 3.006 1.00 0.00 O ATOM 427 CB TYR A 30 0.639 6.139 5.074 1.00 0.00 C ATOM 428 CG TYR A 30 0.294 5.596 6.445 1.00 0.00 C ATOM 429 CD1 TYR A 30 1.290 5.100 7.316 1.00 0.00 C ATOM 430 CD2 TYR A 30 -1.041 5.615 6.861 1.00 0.00 C ATOM 431 CE1 TYR A 30 0.944 4.589 8.576 1.00 0.00 C ATOM 432 CE2 TYR A 30 -1.397 5.122 8.123 1.00 0.00 C ATOM 433 CZ TYR A 30 -0.409 4.579 8.968 1.00 0.00 C ATOM 434 OH TYR A 30 -0.774 3.987 10.127 1.00 0.00 O ATOM 0 H TYR A 30 0.637 8.605 5.924 1.00 0.00 H new ATOM 0 HA TYR A 30 2.673 6.530 5.588 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.218 6.681 4.673 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.837 5.309 4.396 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.325 5.114 7.009 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.802 6.012 6.206 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.707 4.207 9.238 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.426 5.158 8.447 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.492 4.544 10.882 1.00 0.00 H new ATOM 444 N LEU A 31 2.463 8.673 3.344 1.00 0.00 N ATOM 445 CA LEU A 31 3.182 9.079 2.135 1.00 0.00 C ATOM 446 C LEU A 31 4.695 8.901 2.311 1.00 0.00 C ATOM 447 O LEU A 31 5.441 8.881 1.330 1.00 0.00 O ATOM 448 CB LEU A 31 2.900 10.559 1.822 1.00 0.00 C ATOM 449 CG LEU A 31 1.556 10.877 1.150 1.00 0.00 C ATOM 450 CD1 LEU A 31 1.454 10.293 -0.253 1.00 0.00 C ATOM 451 CD2 LEU A 31 0.335 10.462 1.954 1.00 0.00 C ATOM 0 H LEU A 31 2.046 9.446 3.862 1.00 0.00 H new ATOM 0 HA LEU A 31 2.835 8.448 1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.956 11.121 2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.698 10.929 1.179 1.00 0.00 H new ATOM 0 HG LEU A 31 1.550 11.965 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.485 10.547 -0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.247 10.705 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.557 9.209 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.569 10.724 1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.358 9.385 2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.339 10.978 2.914 1.00 0.00 H new ATOM 463 N THR A 32 5.168 8.856 3.557 1.00 0.00 N ATOM 464 CA THR A 32 6.593 8.855 3.850 1.00 0.00 C ATOM 465 C THR A 32 7.248 7.522 3.417 1.00 0.00 C ATOM 466 O THR A 32 6.623 6.461 3.520 1.00 0.00 O ATOM 467 CB THR A 32 6.845 9.251 5.325 1.00 0.00 C ATOM 468 OG1 THR A 32 6.441 8.282 6.265 1.00 0.00 O ATOM 469 CG2 THR A 32 6.116 10.536 5.714 1.00 0.00 C ATOM 0 H THR A 32 4.573 8.819 4.385 1.00 0.00 H new ATOM 0 HA THR A 32 7.090 9.620 3.254 1.00 0.00 H new ATOM 0 HB THR A 32 7.928 9.371 5.361 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.467 8.310 6.365 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.325 10.771 6.758 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.460 11.355 5.082 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.043 10.400 5.580 1.00 0.00 H new ATOM 477 N PRO A 33 8.534 7.525 3.005 1.00 0.00 N ATOM 478 CA PRO A 33 9.259 6.325 2.559 1.00 0.00 C ATOM 479 C PRO A 33 9.384 5.281 3.684 1.00 0.00 C ATOM 480 O PRO A 33 9.677 4.121 3.407 1.00 0.00 O ATOM 481 CB PRO A 33 10.644 6.837 2.143 1.00 0.00 C ATOM 482 CG PRO A 33 10.844 8.089 2.986 1.00 0.00 C ATOM 483 CD PRO A 33 9.435 8.670 3.014 1.00 0.00 C ATOM 0 HA PRO A 33 8.735 5.822 1.746 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.419 6.096 2.339 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.682 7.063 1.077 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.211 7.855 3.986 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.561 8.775 2.536 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.282 9.281 3.903 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.260 9.313 2.151 1.00 0.00 H new ATOM 491 N GLU A 34 9.131 5.659 4.941 1.00 0.00 N ATOM 492 CA GLU A 34 9.137 4.800 6.124 1.00 0.00 C ATOM 493 C GLU A 34 8.198 3.597 5.982 1.00 0.00 C ATOM 494 O GLU A 34 8.444 2.556 6.601 1.00 0.00 O ATOM 495 CB GLU A 34 8.670 5.644 7.337 1.00 0.00 C ATOM 496 CG GLU A 34 9.812 6.459 7.965 1.00 0.00 C ATOM 497 CD GLU A 34 10.555 5.686 9.061 1.00 0.00 C ATOM 498 OE1 GLU A 34 11.431 4.846 8.732 1.00 0.00 O ATOM 499 OE2 GLU A 34 10.312 6.003 10.251 1.00 0.00 O ATOM 0 H GLU A 34 8.904 6.627 5.170 1.00 0.00 H new ATOM 0 HA GLU A 34 10.149 4.417 6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.877 6.321 7.020 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.242 4.984 8.091 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.518 6.747 7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.408 7.380 8.385 1.00 0.00 H new ATOM 506 N TYR A 35 7.112 3.745 5.225 1.00 0.00 N ATOM 507 CA TYR A 35 6.015 2.783 5.127 1.00 0.00 C ATOM 508 C TYR A 35 5.944 2.139 3.738 1.00 0.00 C ATOM 509 O TYR A 35 5.197 1.194 3.504 1.00 0.00 O ATOM 510 CB TYR A 35 4.734 3.540 5.500 1.00 0.00 C ATOM 511 CG TYR A 35 4.795 4.050 6.928 1.00 0.00 C ATOM 512 CD1 TYR A 35 4.714 3.144 8.001 1.00 0.00 C ATOM 513 CD2 TYR A 35 5.046 5.408 7.190 1.00 0.00 C ATOM 514 CE1 TYR A 35 4.890 3.577 9.320 1.00 0.00 C ATOM 515 CE2 TYR A 35 5.215 5.850 8.510 1.00 0.00 C ATOM 516 CZ TYR A 35 5.180 4.931 9.579 1.00 0.00 C ATOM 517 OH TYR A 35 5.468 5.332 10.847 1.00 0.00 O ATOM 0 H TYR A 35 6.966 4.569 4.641 1.00 0.00 H new ATOM 0 HA TYR A 35 6.165 1.946 5.809 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.592 4.378 4.817 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.872 2.883 5.382 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.513 2.101 7.804 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.109 6.112 6.373 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.804 2.876 10.137 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.373 6.900 8.709 1.00 0.00 H new ATOM 0 HH TYR A 35 5.645 6.296 10.853 1.00 0.00 H new ATOM 527 N ASN A 36 6.742 2.652 2.806 1.00 0.00 N ATOM 528 CA ASN A 36 6.775 2.262 1.406 1.00 0.00 C ATOM 529 C ASN A 36 7.591 0.988 1.205 1.00 0.00 C ATOM 530 O ASN A 36 8.799 0.979 1.461 1.00 0.00 O ATOM 531 CB ASN A 36 7.374 3.420 0.608 1.00 0.00 C ATOM 532 CG ASN A 36 7.650 3.017 -0.825 1.00 0.00 C ATOM 533 OD1 ASN A 36 6.978 2.159 -1.384 1.00 0.00 O ATOM 534 ND2 ASN A 36 8.664 3.601 -1.422 1.00 0.00 N ATOM 0 H ASN A 36 7.415 3.387 3.021 1.00 0.00 H new ATOM 0 HA ASN A 36 5.764 2.048 1.060 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.689 4.268 0.624 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.300 3.749 1.080 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.911 3.343 -2.378 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.205 4.312 -0.930 1.00 0.00 H new ATOM 541 N ILE A 37 6.959 -0.075 0.715 1.00 0.00 N ATOM 542 CA ILE A 37 7.613 -1.272 0.213 1.00 0.00 C ATOM 543 C ILE A 37 7.956 -1.016 -1.259 1.00 0.00 C ATOM 544 O ILE A 37 7.160 -1.305 -2.157 1.00 0.00 O ATOM 545 CB ILE A 37 6.706 -2.514 0.397 1.00 0.00 C ATOM 546 CG1 ILE A 37 6.208 -2.637 1.861 1.00 0.00 C ATOM 547 CG2 ILE A 37 7.454 -3.768 -0.092 1.00 0.00 C ATOM 548 CD1 ILE A 37 5.669 -4.000 2.265 1.00 0.00 C ATOM 0 H ILE A 37 5.942 -0.125 0.656 1.00 0.00 H new ATOM 0 HA ILE A 37 8.525 -1.484 0.770 1.00 0.00 H new ATOM 0 HB ILE A 37 5.808 -2.404 -0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.032 -2.381 2.528 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.425 -1.896 2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.818 -4.644 0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.706 -3.653 -1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.368 -3.895 0.488 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.350 -3.971 3.307 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.820 -4.257 1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.451 -4.750 2.146 1.00 0.00 H new ATOM 560 N LYS A 38 9.168 -0.525 -1.545 1.00 0.00 N ATOM 561 CA LYS A 38 9.627 -0.486 -2.938 1.00 0.00 C ATOM 562 C LYS A 38 9.895 -1.897 -3.486 1.00 0.00 C ATOM 563 O LYS A 38 9.890 -2.093 -4.707 1.00 0.00 O ATOM 564 CB LYS A 38 10.824 0.463 -3.129 1.00 0.00 C ATOM 565 CG LYS A 38 12.100 0.054 -2.375 1.00 0.00 C ATOM 566 CD LYS A 38 13.376 0.673 -2.979 1.00 0.00 C ATOM 567 CE LYS A 38 14.095 1.715 -2.112 1.00 0.00 C ATOM 568 NZ LYS A 38 14.443 1.232 -0.764 1.00 0.00 N ATOM 0 H LYS A 38 9.828 -0.161 -0.858 1.00 0.00 H new ATOM 0 HA LYS A 38 8.815 -0.069 -3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.053 0.527 -4.193 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.532 1.462 -2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 38 12.013 0.358 -1.332 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.189 -1.032 -2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.077 -0.132 -3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.115 1.138 -3.930 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.006 2.030 -2.621 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.460 2.596 -2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.185 1.838 -0.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.600 1.263 -0.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 14.790 0.254 -0.825 1.00 0.00 H new ATOM 582 N GLN A 39 10.116 -2.901 -2.627 1.00 0.00 N ATOM 583 CA GLN A 39 10.414 -4.283 -3.019 1.00 0.00 C ATOM 584 C GLN A 39 9.165 -5.062 -3.468 1.00 0.00 C ATOM 585 O GLN A 39 9.007 -6.232 -3.108 1.00 0.00 O ATOM 586 CB GLN A 39 11.133 -5.055 -1.897 1.00 0.00 C ATOM 587 CG GLN A 39 12.406 -4.390 -1.377 1.00 0.00 C ATOM 588 CD GLN A 39 12.112 -3.564 -0.139 1.00 0.00 C ATOM 589 OE1 GLN A 39 11.960 -2.347 -0.213 1.00 0.00 O ATOM 590 NE2 GLN A 39 12.024 -4.206 1.009 1.00 0.00 N ATOM 0 H GLN A 39 10.092 -2.770 -1.616 1.00 0.00 H new ATOM 0 HA GLN A 39 11.082 -4.203 -3.877 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.442 -5.186 -1.064 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.383 -6.051 -2.263 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.151 -5.151 -1.144 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.832 -3.753 -2.152 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.155 -5.217 1.039 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.825 -3.692 1.867 1.00 0.00 H new ATOM 599 N TRP A 40 8.254 -4.432 -4.218 1.00 0.00 N ATOM 600 CA TRP A 40 7.021 -5.084 -4.625 1.00 0.00 C ATOM 601 C TRP A 40 7.274 -6.417 -5.318 1.00 0.00 C ATOM 602 O TRP A 40 6.577 -7.360 -4.997 1.00 0.00 O ATOM 603 CB TRP A 40 6.120 -4.190 -5.481 1.00 0.00 C ATOM 604 CG TRP A 40 6.651 -3.674 -6.781 1.00 0.00 C ATOM 605 CD1 TRP A 40 7.393 -2.557 -6.955 1.00 0.00 C ATOM 606 CD2 TRP A 40 6.417 -4.209 -8.118 1.00 0.00 C ATOM 607 NE1 TRP A 40 7.666 -2.395 -8.297 1.00 0.00 N ATOM 608 CE2 TRP A 40 7.093 -3.385 -9.061 1.00 0.00 C ATOM 609 CE3 TRP A 40 5.683 -5.297 -8.633 1.00 0.00 C ATOM 610 CZ2 TRP A 40 7.061 -3.641 -10.439 1.00 0.00 C ATOM 611 CZ3 TRP A 40 5.639 -5.569 -10.010 1.00 0.00 C ATOM 612 CH2 TRP A 40 6.333 -4.745 -10.909 1.00 0.00 C ATOM 0 H TRP A 40 8.354 -3.473 -4.551 1.00 0.00 H new ATOM 0 HA TRP A 40 6.483 -5.283 -3.698 1.00 0.00 H new ATOM 0 HB2 TRP A 40 5.207 -4.747 -5.694 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.835 -3.330 -4.875 1.00 0.00 H new ATOM 0 HD1 TRP A 40 7.720 -1.895 -6.167 1.00 0.00 H new ATOM 0 HE1 TRP A 40 8.226 -1.632 -8.678 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.141 -5.937 -7.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.589 -2.998 -11.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.072 -6.412 -10.377 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.307 -4.961 -11.967 1.00 0.00 H new ATOM 623 N GLN A 41 8.267 -6.556 -6.200 1.00 0.00 N ATOM 624 CA GLN A 41 8.342 -7.738 -7.057 1.00 0.00 C ATOM 625 C GLN A 41 8.499 -9.067 -6.304 1.00 0.00 C ATOM 626 O GLN A 41 8.028 -10.079 -6.812 1.00 0.00 O ATOM 627 CB GLN A 41 9.437 -7.568 -8.117 1.00 0.00 C ATOM 628 CG GLN A 41 8.973 -6.594 -9.207 1.00 0.00 C ATOM 629 CD GLN A 41 9.894 -6.556 -10.420 1.00 0.00 C ATOM 630 OE1 GLN A 41 11.102 -6.768 -10.323 1.00 0.00 O ATOM 631 NE2 GLN A 41 9.358 -6.260 -11.589 1.00 0.00 N ATOM 0 H GLN A 41 9.016 -5.878 -6.337 1.00 0.00 H new ATOM 0 HA GLN A 41 7.370 -7.806 -7.546 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.349 -7.196 -7.651 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.677 -8.534 -8.561 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.970 -6.874 -9.531 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.903 -5.593 -8.782 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.356 -6.086 -11.661 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.946 -6.206 -12.421 1.00 0.00 H new ATOM 640 N GLN A 42 9.090 -9.101 -5.103 1.00 0.00 N ATOM 641 CA GLN A 42 9.111 -10.323 -4.299 1.00 0.00 C ATOM 642 C GLN A 42 7.847 -10.498 -3.456 1.00 0.00 C ATOM 643 O GLN A 42 7.607 -11.574 -2.907 1.00 0.00 O ATOM 644 CB GLN A 42 10.343 -10.315 -3.392 1.00 0.00 C ATOM 645 CG GLN A 42 11.580 -10.716 -4.173 1.00 0.00 C ATOM 646 CD GLN A 42 12.761 -10.972 -3.256 1.00 0.00 C ATOM 647 OE1 GLN A 42 13.064 -12.112 -2.919 1.00 0.00 O ATOM 648 NE2 GLN A 42 13.447 -9.939 -2.797 1.00 0.00 N ATOM 0 H GLN A 42 9.555 -8.302 -4.672 1.00 0.00 H new ATOM 0 HA GLN A 42 9.152 -11.166 -4.989 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.481 -9.322 -2.965 1.00 0.00 H new ATOM 0 HB3 GLN A 42 10.193 -11.002 -2.559 1.00 0.00 H new ATOM 0 HG2 GLN A 42 11.369 -11.614 -4.754 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.834 -9.929 -4.883 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.193 -8.992 -3.079 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.230 -10.089 -2.161 1.00 0.00 H new ATOM 657 N ARG A 43 7.052 -9.449 -3.300 1.00 0.00 N ATOM 658 CA ARG A 43 5.698 -9.514 -2.784 1.00 0.00 C ATOM 659 C ARG A 43 4.793 -9.876 -3.969 1.00 0.00 C ATOM 660 O ARG A 43 5.214 -9.916 -5.126 1.00 0.00 O ATOM 661 CB ARG A 43 5.329 -8.162 -2.135 1.00 0.00 C ATOM 662 CG ARG A 43 6.359 -7.658 -1.100 1.00 0.00 C ATOM 663 CD ARG A 43 6.104 -8.245 0.292 1.00 0.00 C ATOM 664 NE ARG A 43 7.158 -7.881 1.256 1.00 0.00 N ATOM 665 CZ ARG A 43 8.368 -8.447 1.369 1.00 0.00 C ATOM 666 NH1 ARG A 43 8.741 -9.436 0.561 1.00 0.00 N ATOM 667 NH2 ARG A 43 9.202 -8.000 2.297 1.00 0.00 N ATOM 0 H ARG A 43 7.344 -8.501 -3.537 1.00 0.00 H new ATOM 0 HA ARG A 43 5.583 -10.267 -2.005 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.221 -7.412 -2.919 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.358 -8.257 -1.649 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.364 -7.925 -1.428 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.319 -6.570 -1.048 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.141 -7.893 0.661 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.041 -9.331 0.220 1.00 0.00 H new ATOM 0 HE ARG A 43 6.945 -7.121 1.903 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.102 -9.775 -0.159 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.666 -9.855 0.661 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.919 -7.237 2.912 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.126 -8.419 2.397 1.00 0.00 H new ATOM 681 N ASN A 44 3.527 -10.146 -3.687 1.00 0.00 N ATOM 682 CA ASN A 44 2.664 -10.935 -4.573 1.00 0.00 C ATOM 683 C ASN A 44 1.590 -10.065 -5.230 1.00 0.00 C ATOM 684 O ASN A 44 0.661 -10.552 -5.867 1.00 0.00 O ATOM 685 CB ASN A 44 2.068 -12.081 -3.753 1.00 0.00 C ATOM 686 CG ASN A 44 3.133 -13.005 -3.176 1.00 0.00 C ATOM 687 OD1 ASN A 44 3.946 -12.589 -2.352 1.00 0.00 O ATOM 688 ND2 ASN A 44 3.167 -14.259 -3.568 1.00 0.00 N ATOM 0 H ASN A 44 3.062 -9.826 -2.837 1.00 0.00 H new ATOM 0 HA ASN A 44 3.247 -11.349 -5.396 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.471 -11.669 -2.940 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.392 -12.660 -4.383 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.870 -14.893 -3.189 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.490 -14.598 -4.252 1.00 0.00 H new ATOM 695 N LEU A 45 1.714 -8.756 -5.037 1.00 0.00 N ATOM 696 CA LEU A 45 0.942 -7.671 -5.599 1.00 0.00 C ATOM 697 C LEU A 45 1.104 -7.558 -7.123 1.00 0.00 C ATOM 698 O LEU A 45 2.000 -8.178 -7.710 1.00 0.00 O ATOM 699 CB LEU A 45 1.446 -6.389 -4.918 1.00 0.00 C ATOM 700 CG LEU A 45 0.983 -6.121 -3.476 1.00 0.00 C ATOM 701 CD1 LEU A 45 -0.412 -6.635 -3.144 1.00 0.00 C ATOM 702 CD2 LEU A 45 1.993 -6.678 -2.482 1.00 0.00 C ATOM 0 H LEU A 45 2.439 -8.399 -4.414 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.120 -7.843 -5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.536 -6.412 -4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.143 -5.541 -5.532 1.00 0.00 H new ATOM 0 HG LEU A 45 0.923 -5.036 -3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.649 -6.399 -2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.141 -6.159 -3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.446 -7.715 -3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.651 -6.480 -1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.093 -7.754 -2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.960 -6.200 -2.639 1.00 0.00 H new ATOM 714 N PRO A 46 0.243 -6.772 -7.792 1.00 0.00 N ATOM 715 CA PRO A 46 0.612 -6.144 -9.052 1.00 0.00 C ATOM 716 C PRO A 46 1.712 -5.082 -8.856 1.00 0.00 C ATOM 717 O PRO A 46 2.087 -4.715 -7.734 1.00 0.00 O ATOM 718 CB PRO A 46 -0.675 -5.501 -9.582 1.00 0.00 C ATOM 719 CG PRO A 46 -1.588 -5.337 -8.370 1.00 0.00 C ATOM 720 CD PRO A 46 -0.998 -6.215 -7.271 1.00 0.00 C ATOM 0 HA PRO A 46 1.021 -6.874 -9.750 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.468 -4.538 -10.048 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -1.142 -6.129 -10.341 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.632 -4.295 -8.054 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.607 -5.642 -8.606 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.810 -5.631 -6.370 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.692 -7.009 -6.997 1.00 0.00 H new ATOM 728 N ALA A 47 2.174 -4.525 -9.974 1.00 0.00 N ATOM 729 CA ALA A 47 2.995 -3.323 -10.026 1.00 0.00 C ATOM 730 C ALA A 47 2.298 -2.142 -9.331 1.00 0.00 C ATOM 731 O ALA A 47 1.079 -2.168 -9.113 1.00 0.00 O ATOM 732 CB ALA A 47 3.266 -2.998 -11.502 1.00 0.00 C ATOM 0 H ALA A 47 1.979 -4.913 -10.897 1.00 0.00 H new ATOM 0 HA ALA A 47 3.933 -3.495 -9.498 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.880 -2.100 -11.570 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.790 -3.832 -11.968 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.320 -2.830 -12.017 1.00 0.00 H new ATOM 738 N PRO A 48 3.026 -1.061 -9.002 1.00 0.00 N ATOM 739 CA PRO A 48 2.395 0.227 -8.748 1.00 0.00 C ATOM 740 C PRO A 48 1.703 0.747 -10.020 1.00 0.00 C ATOM 741 O PRO A 48 1.904 0.232 -11.125 1.00 0.00 O ATOM 742 CB PRO A 48 3.531 1.141 -8.276 1.00 0.00 C ATOM 743 CG PRO A 48 4.775 0.551 -8.939 1.00 0.00 C ATOM 744 CD PRO A 48 4.480 -0.947 -8.959 1.00 0.00 C ATOM 0 HA PRO A 48 1.608 0.173 -7.996 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.367 2.174 -8.582 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.619 1.141 -7.190 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.922 0.946 -9.944 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.679 0.776 -8.373 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.936 -1.425 -9.826 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.886 -1.438 -8.074 1.00 0.00 H new ATOM 752 N ASP A 49 0.881 1.784 -9.877 1.00 0.00 N ATOM 753 CA ASP A 49 0.483 2.640 -10.989 1.00 0.00 C ATOM 754 C ASP A 49 1.578 3.666 -11.269 1.00 0.00 C ATOM 755 O ASP A 49 2.504 3.835 -10.470 1.00 0.00 O ATOM 756 CB ASP A 49 -0.832 3.375 -10.686 1.00 0.00 C ATOM 757 CG ASP A 49 -1.545 3.869 -11.942 1.00 0.00 C ATOM 758 OD1 ASP A 49 -1.338 3.264 -13.021 1.00 0.00 O ATOM 759 OD2 ASP A 49 -2.321 4.842 -11.840 1.00 0.00 O ATOM 0 H ASP A 49 0.471 2.054 -8.983 1.00 0.00 H new ATOM 0 HA ASP A 49 0.332 2.006 -11.862 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.496 2.707 -10.137 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.625 4.224 -10.035 1.00 0.00 H new ATOM 764 N ALA A 50 1.447 4.388 -12.375 1.00 0.00 N ATOM 765 CA ALA A 50 2.222 5.572 -12.703 1.00 0.00 C ATOM 766 C ALA A 50 2.210 6.576 -11.538 1.00 0.00 C ATOM 767 O ALA A 50 1.179 7.198 -11.275 1.00 0.00 O ATOM 768 CB ALA A 50 1.596 6.179 -13.959 1.00 0.00 C ATOM 0 H ALA A 50 0.767 4.152 -13.098 1.00 0.00 H new ATOM 0 HA ALA A 50 3.266 5.314 -12.881 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.148 7.075 -14.244 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.636 5.454 -14.772 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.557 6.441 -13.758 1.00 0.00 H new ATOM 774 N GLY A 51 3.339 6.738 -10.842 1.00 0.00 N ATOM 775 CA GLY A 51 3.472 7.753 -9.804 1.00 0.00 C ATOM 776 C GLY A 51 2.815 7.343 -8.490 1.00 0.00 C ATOM 777 O GLY A 51 2.356 8.208 -7.744 1.00 0.00 O ATOM 0 H GLY A 51 4.176 6.173 -10.983 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.529 7.952 -9.630 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.026 8.684 -10.153 1.00 0.00 H new ATOM 781 N SER A 52 2.756 6.045 -8.186 1.00 0.00 N ATOM 782 CA SER A 52 2.274 5.553 -6.902 1.00 0.00 C ATOM 783 C SER A 52 3.258 4.541 -6.317 1.00 0.00 C ATOM 784 O SER A 52 4.192 4.118 -7.005 1.00 0.00 O ATOM 785 CB SER A 52 0.875 4.973 -7.112 1.00 0.00 C ATOM 786 OG SER A 52 0.919 3.939 -8.061 1.00 0.00 O ATOM 0 H SER A 52 3.043 5.306 -8.828 1.00 0.00 H new ATOM 0 HA SER A 52 2.205 6.360 -6.173 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.484 4.594 -6.168 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.195 5.756 -7.447 1.00 0.00 H new ATOM 0 HG SER A 52 1.635 4.117 -8.706 1.00 0.00 H new ATOM 792 N HIS A 53 3.045 4.134 -5.066 1.00 0.00 N ATOM 793 CA HIS A 53 3.806 3.069 -4.440 1.00 0.00 C ATOM 794 C HIS A 53 2.982 2.343 -3.380 1.00 0.00 C ATOM 795 O HIS A 53 1.921 2.808 -2.963 1.00 0.00 O ATOM 796 CB HIS A 53 5.112 3.602 -3.854 1.00 0.00 C ATOM 797 CG HIS A 53 4.992 4.689 -2.807 1.00 0.00 C ATOM 798 ND1 HIS A 53 5.184 6.041 -3.022 1.00 0.00 N ATOM 799 CD2 HIS A 53 4.768 4.514 -1.464 1.00 0.00 C ATOM 800 CE1 HIS A 53 5.063 6.667 -1.840 1.00 0.00 C ATOM 801 NE2 HIS A 53 4.859 5.772 -0.861 1.00 0.00 N ATOM 0 H HIS A 53 2.333 4.541 -4.460 1.00 0.00 H new ATOM 0 HA HIS A 53 4.056 2.343 -5.213 1.00 0.00 H new ATOM 0 HB2 HIS A 53 5.655 2.765 -3.415 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.722 3.984 -4.673 1.00 0.00 H new ATOM 0 HD1 HIS A 53 5.382 6.484 -3.919 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.560 3.579 -0.966 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.121 7.736 -1.698 1.00 0.00 H new ATOM 809 N TRP A 54 3.464 1.172 -2.974 1.00 0.00 N ATOM 810 CA TRP A 54 2.728 0.223 -2.161 1.00 0.00 C ATOM 811 C TRP A 54 3.267 0.226 -0.732 1.00 0.00 C ATOM 812 O TRP A 54 4.430 -0.109 -0.514 1.00 0.00 O ATOM 813 CB TRP A 54 2.854 -1.161 -2.799 1.00 0.00 C ATOM 814 CG TRP A 54 1.983 -1.440 -3.982 1.00 0.00 C ATOM 815 CD1 TRP A 54 2.317 -1.333 -5.290 1.00 0.00 C ATOM 816 CD2 TRP A 54 0.612 -1.927 -3.956 1.00 0.00 C ATOM 817 NE1 TRP A 54 1.289 -1.857 -6.059 1.00 0.00 N ATOM 818 CE2 TRP A 54 0.186 -2.155 -5.296 1.00 0.00 C ATOM 819 CE3 TRP A 54 -0.320 -2.178 -2.931 1.00 0.00 C ATOM 820 CZ2 TRP A 54 -1.109 -2.581 -5.614 1.00 0.00 C ATOM 821 CZ3 TRP A 54 -1.632 -2.590 -3.235 1.00 0.00 C ATOM 822 CH2 TRP A 54 -2.029 -2.773 -4.572 1.00 0.00 C ATOM 0 H TRP A 54 4.404 0.853 -3.211 1.00 0.00 H new ATOM 0 HA TRP A 54 1.675 0.501 -2.114 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.892 -1.303 -3.100 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.639 -1.908 -2.035 1.00 0.00 H new ATOM 0 HD1 TRP A 54 3.234 -0.909 -5.672 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.345 -2.003 -7.067 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.025 -2.053 -1.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.394 -2.758 -6.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.338 -2.767 -2.437 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.045 -3.062 -4.797 1.00 0.00 H new ATOM 833 N THR A 55 2.432 0.518 0.257 1.00 0.00 N ATOM 834 CA THR A 55 2.799 0.629 1.667 1.00 0.00 C ATOM 835 C THR A 55 2.225 -0.559 2.459 1.00 0.00 C ATOM 836 O THR A 55 1.620 -1.445 1.842 1.00 0.00 O ATOM 837 CB THR A 55 2.364 2.006 2.198 1.00 0.00 C ATOM 838 OG1 THR A 55 0.964 2.148 2.121 1.00 0.00 O ATOM 839 CG2 THR A 55 2.972 3.177 1.434 1.00 0.00 C ATOM 0 H THR A 55 1.440 0.691 0.094 1.00 0.00 H new ATOM 0 HA THR A 55 3.880 0.573 1.792 1.00 0.00 H new ATOM 0 HB THR A 55 2.720 2.036 3.228 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.705 3.029 2.464 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.620 4.114 1.865 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.059 3.131 1.503 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.672 3.124 0.387 1.00 0.00 H new ATOM 847 N TYR A 56 2.446 -0.650 3.778 1.00 0.00 N ATOM 848 CA TYR A 56 2.084 -1.815 4.598 1.00 0.00 C ATOM 849 C TYR A 56 1.326 -1.392 5.866 1.00 0.00 C ATOM 850 O TYR A 56 1.897 -1.265 6.952 1.00 0.00 O ATOM 851 CB TYR A 56 3.371 -2.599 4.881 1.00 0.00 C ATOM 852 CG TYR A 56 3.217 -3.802 5.786 1.00 0.00 C ATOM 853 CD1 TYR A 56 2.376 -4.853 5.398 1.00 0.00 C ATOM 854 CD2 TYR A 56 3.922 -3.884 7.001 1.00 0.00 C ATOM 855 CE1 TYR A 56 2.254 -6.000 6.196 1.00 0.00 C ATOM 856 CE2 TYR A 56 3.788 -5.022 7.818 1.00 0.00 C ATOM 857 CZ TYR A 56 2.960 -6.093 7.410 1.00 0.00 C ATOM 858 OH TYR A 56 2.845 -7.209 8.176 1.00 0.00 O ATOM 0 H TYR A 56 2.889 0.096 4.314 1.00 0.00 H new ATOM 0 HA TYR A 56 1.390 -2.467 4.068 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.789 -2.932 3.931 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.098 -1.921 5.328 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.817 -4.779 4.477 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.566 -3.073 7.307 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.618 -6.813 5.879 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.318 -5.077 8.757 1.00 0.00 H new ATOM 0 HH TYR A 56 3.398 -7.113 8.980 1.00 0.00 H new ATOM 868 N MET A 57 0.028 -1.139 5.720 1.00 0.00 N ATOM 869 CA MET A 57 -0.827 -0.505 6.710 1.00 0.00 C ATOM 870 C MET A 57 -1.634 -1.536 7.486 1.00 0.00 C ATOM 871 O MET A 57 -2.612 -2.084 6.977 1.00 0.00 O ATOM 872 CB MET A 57 -1.785 0.462 6.016 1.00 0.00 C ATOM 873 CG MET A 57 -1.090 1.779 5.677 1.00 0.00 C ATOM 874 SD MET A 57 -2.212 3.071 5.115 1.00 0.00 S ATOM 875 CE MET A 57 -3.326 3.142 6.553 1.00 0.00 C ATOM 0 H MET A 57 -0.476 -1.383 4.868 1.00 0.00 H new ATOM 0 HA MET A 57 -0.189 0.034 7.411 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.170 0.005 5.104 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.642 0.655 6.661 1.00 0.00 H new ATOM 0 HG2 MET A 57 -0.555 2.134 6.558 1.00 0.00 H new ATOM 0 HG3 MET A 57 -0.344 1.597 4.903 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.635 4.173 6.723 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.205 2.526 6.363 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.806 2.769 7.435 1.00 0.00 H new ATOM 885 N GLY A 58 -1.251 -1.789 8.735 1.00 0.00 N ATOM 886 CA GLY A 58 -2.006 -2.663 9.626 1.00 0.00 C ATOM 887 C GLY A 58 -2.029 -4.120 9.183 1.00 0.00 C ATOM 888 O GLY A 58 -2.866 -4.875 9.677 1.00 0.00 O ATOM 0 H GLY A 58 -0.410 -1.394 9.156 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.578 -2.604 10.627 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.031 -2.298 9.696 1.00 0.00 H new ATOM 892 N GLY A 59 -1.149 -4.515 8.263 1.00 0.00 N ATOM 893 CA GLY A 59 -1.192 -5.824 7.644 1.00 0.00 C ATOM 894 C GLY A 59 -1.949 -5.835 6.316 1.00 0.00 C ATOM 895 O GLY A 59 -2.142 -6.912 5.758 1.00 0.00 O ATOM 0 H GLY A 59 -0.385 -3.927 7.930 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.173 -6.174 7.478 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.663 -6.528 8.330 1.00 0.00 H new ATOM 899 N ASN A 60 -2.330 -4.676 5.773 1.00 0.00 N ATOM 900 CA ASN A 60 -2.916 -4.522 4.444 1.00 0.00 C ATOM 901 C ASN A 60 -1.863 -3.849 3.570 1.00 0.00 C ATOM 902 O ASN A 60 -1.323 -2.811 3.959 1.00 0.00 O ATOM 903 CB ASN A 60 -4.190 -3.664 4.498 1.00 0.00 C ATOM 904 CG ASN A 60 -5.201 -4.210 5.495 1.00 0.00 C ATOM 905 OD1 ASN A 60 -5.973 -5.100 5.176 1.00 0.00 O ATOM 906 ND2 ASN A 60 -5.192 -3.711 6.719 1.00 0.00 N ATOM 0 H ASN A 60 -2.234 -3.789 6.267 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.201 -5.493 4.040 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.928 -2.642 4.770 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.643 -3.624 3.507 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.840 -4.070 7.421 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.537 -2.967 6.962 1.00 0.00 H new ATOM 913 N TYR A 61 -1.544 -4.411 2.404 1.00 0.00 N ATOM 914 CA TYR A 61 -0.652 -3.755 1.459 1.00 0.00 C ATOM 915 C TYR A 61 -1.529 -2.821 0.635 1.00 0.00 C ATOM 916 O TYR A 61 -2.484 -3.285 0.007 1.00 0.00 O ATOM 917 CB TYR A 61 0.081 -4.753 0.554 1.00 0.00 C ATOM 918 CG TYR A 61 1.015 -5.737 1.243 1.00 0.00 C ATOM 919 CD1 TYR A 61 2.217 -5.317 1.863 1.00 0.00 C ATOM 920 CD2 TYR A 61 0.694 -7.111 1.215 1.00 0.00 C ATOM 921 CE1 TYR A 61 3.084 -6.271 2.422 1.00 0.00 C ATOM 922 CE2 TYR A 61 1.576 -8.063 1.758 1.00 0.00 C ATOM 923 CZ TYR A 61 2.777 -7.641 2.370 1.00 0.00 C ATOM 924 OH TYR A 61 3.666 -8.522 2.902 1.00 0.00 O ATOM 0 H TYR A 61 -1.892 -5.319 2.095 1.00 0.00 H new ATOM 0 HA TYR A 61 0.132 -3.216 1.991 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.665 -5.322 -0.000 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.660 -4.189 -0.177 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.466 -4.267 1.906 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.237 -7.434 0.773 1.00 0.00 H new ATOM 0 HE1 TYR A 61 3.998 -5.947 2.898 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.335 -9.115 1.707 1.00 0.00 H new ATOM 0 HH TYR A 61 3.198 -9.135 3.507 1.00 0.00 H new ATOM 934 N VAL A 62 -1.254 -1.516 0.632 1.00 0.00 N ATOM 935 CA VAL A 62 -2.140 -0.544 -0.011 1.00 0.00 C ATOM 936 C VAL A 62 -1.345 0.315 -0.978 1.00 0.00 C ATOM 937 O VAL A 62 -0.166 0.565 -0.749 1.00 0.00 O ATOM 938 CB VAL A 62 -2.940 0.252 1.037 1.00 0.00 C ATOM 939 CG1 VAL A 62 -3.661 -0.718 1.980 1.00 0.00 C ATOM 940 CG2 VAL A 62 -2.108 1.215 1.889 1.00 0.00 C ATOM 0 H VAL A 62 -0.426 -1.108 1.067 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.892 -1.061 -0.607 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.635 0.863 0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.226 -0.153 2.721 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.342 -1.346 1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.928 -1.347 2.486 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.758 1.729 2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.349 0.655 2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.624 1.947 1.243 1.00 0.00 H new ATOM 950 N LEU A 63 -1.964 0.708 -2.088 1.00 0.00 N ATOM 951 CA LEU A 63 -1.325 1.472 -3.153 1.00 0.00 C ATOM 952 C LEU A 63 -1.779 2.913 -3.043 1.00 0.00 C ATOM 953 O LEU A 63 -2.985 3.169 -3.030 1.00 0.00 O ATOM 954 CB LEU A 63 -1.703 0.885 -4.516 1.00 0.00 C ATOM 955 CG LEU A 63 -1.050 1.587 -5.719 1.00 0.00 C ATOM 956 CD1 LEU A 63 0.481 1.680 -5.628 1.00 0.00 C ATOM 957 CD2 LEU A 63 -1.503 0.885 -7.006 1.00 0.00 C ATOM 0 H LEU A 63 -2.945 0.499 -2.275 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.240 1.424 -3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.426 -0.169 -4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.786 0.931 -4.629 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.386 2.624 -5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.868 2.187 -6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.759 2.242 -4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.904 0.677 -5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.047 1.374 -7.867 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.196 -0.161 -6.977 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.588 0.943 -7.089 1.00 0.00 H new ATOM 969 N ILE A 64 -0.819 3.830 -2.987 1.00 0.00 N ATOM 970 CA ILE A 64 -1.027 5.244 -2.729 1.00 0.00 C ATOM 971 C ILE A 64 -0.272 6.059 -3.779 1.00 0.00 C ATOM 972 O ILE A 64 0.867 5.733 -4.113 1.00 0.00 O ATOM 973 CB ILE A 64 -0.571 5.563 -1.288 1.00 0.00 C ATOM 974 CG1 ILE A 64 0.901 5.216 -0.970 1.00 0.00 C ATOM 975 CG2 ILE A 64 -1.478 4.826 -0.293 1.00 0.00 C ATOM 976 CD1 ILE A 64 1.447 6.074 0.169 1.00 0.00 C ATOM 0 H ILE A 64 0.164 3.595 -3.126 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.082 5.509 -2.806 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.650 6.646 -1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.977 4.162 -0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.511 5.363 -1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.158 5.049 0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.509 5.153 -0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.412 3.752 -0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.484 5.802 0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.394 7.126 -0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.853 5.907 1.067 1.00 0.00 H new ATOM 988 N THR A 65 -0.893 7.093 -4.346 1.00 0.00 N ATOM 989 CA THR A 65 -0.180 8.037 -5.199 1.00 0.00 C ATOM 990 C THR A 65 0.931 8.699 -4.388 1.00 0.00 C ATOM 991 O THR A 65 0.704 9.110 -3.256 1.00 0.00 O ATOM 992 CB THR A 65 -1.135 9.085 -5.809 1.00 0.00 C ATOM 993 OG1 THR A 65 -2.444 9.039 -5.268 1.00 0.00 O ATOM 994 CG2 THR A 65 -1.252 8.865 -7.312 1.00 0.00 C ATOM 0 H THR A 65 -1.886 7.296 -4.229 1.00 0.00 H new ATOM 0 HA THR A 65 0.261 7.496 -6.036 1.00 0.00 H new ATOM 0 HB THR A 65 -0.702 10.056 -5.571 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.905 8.238 -5.594 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.927 9.608 -7.737 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.269 8.964 -7.772 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.644 7.866 -7.504 1.00 0.00 H new ATOM 1002 N ASP A 66 2.109 8.884 -4.976 1.00 0.00 N ATOM 1003 CA ASP A 66 3.211 9.600 -4.328 1.00 0.00 C ATOM 1004 C ASP A 66 2.852 11.085 -4.125 1.00 0.00 C ATOM 1005 O ASP A 66 3.503 11.809 -3.371 1.00 0.00 O ATOM 1006 CB ASP A 66 4.478 9.451 -5.190 1.00 0.00 C ATOM 1007 CG ASP A 66 5.710 9.052 -4.381 1.00 0.00 C ATOM 1008 OD1 ASP A 66 6.107 9.775 -3.444 1.00 0.00 O ATOM 1009 OD2 ASP A 66 6.344 8.030 -4.738 1.00 0.00 O ATOM 0 H ASP A 66 2.330 8.544 -5.912 1.00 0.00 H new ATOM 0 HA ASP A 66 3.395 9.172 -3.343 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.299 8.702 -5.961 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.676 10.394 -5.701 1.00 0.00 H new ATOM 1014 N THR A 67 1.793 11.553 -4.788 1.00 0.00 N ATOM 1015 CA THR A 67 1.522 12.955 -5.044 1.00 0.00 C ATOM 1016 C THR A 67 0.332 13.449 -4.204 1.00 0.00 C ATOM 1017 O THR A 67 -0.031 14.620 -4.258 1.00 0.00 O ATOM 1018 CB THR A 67 1.295 13.117 -6.563 1.00 0.00 C ATOM 1019 OG1 THR A 67 -0.006 12.716 -6.948 1.00 0.00 O ATOM 1020 CG2 THR A 67 2.248 12.283 -7.439 1.00 0.00 C ATOM 0 H THR A 67 1.078 10.936 -5.173 1.00 0.00 H new ATOM 0 HA THR A 67 2.366 13.576 -4.744 1.00 0.00 H new ATOM 0 HB THR A 67 1.471 14.180 -6.726 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.112 12.835 -7.915 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.020 12.456 -8.491 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.278 12.577 -7.238 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.121 11.225 -7.209 1.00 0.00 H new ATOM 1028 N GLU A 68 -0.346 12.547 -3.489 1.00 0.00 N ATOM 1029 CA GLU A 68 -1.705 12.737 -2.982 1.00 0.00 C ATOM 1030 C GLU A 68 -2.050 11.615 -1.997 1.00 0.00 C ATOM 1031 O GLU A 68 -2.740 11.830 -1.004 1.00 0.00 O ATOM 1032 CB GLU A 68 -2.658 12.655 -4.193 1.00 0.00 C ATOM 1033 CG GLU A 68 -4.141 12.881 -3.890 1.00 0.00 C ATOM 1034 CD GLU A 68 -4.536 14.359 -3.899 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -3.974 15.176 -3.126 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -5.404 14.732 -4.719 1.00 0.00 O ATOM 0 H GLU A 68 0.048 11.639 -3.241 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.795 13.695 -2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.341 13.392 -4.931 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.546 11.673 -4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.742 12.346 -4.625 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.376 12.454 -2.915 1.00 0.00 H new ATOM 1043 N GLY A 69 -1.579 10.403 -2.296 1.00 0.00 N ATOM 1044 CA GLY A 69 -1.910 9.174 -1.608 1.00 0.00 C ATOM 1045 C GLY A 69 -3.399 8.885 -1.651 1.00 0.00 C ATOM 1046 O GLY A 69 -3.995 8.435 -0.674 1.00 0.00 O ATOM 0 H GLY A 69 -0.925 10.255 -3.064 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.366 8.346 -2.062 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.583 9.239 -0.570 1.00 0.00 H new ATOM 1050 N LYS A 70 -4.014 9.128 -2.803 1.00 0.00 N ATOM 1051 CA LYS A 70 -5.329 8.598 -3.101 1.00 0.00 C ATOM 1052 C LYS A 70 -5.168 7.087 -3.177 1.00 0.00 C ATOM 1053 O LYS A 70 -4.196 6.598 -3.743 1.00 0.00 O ATOM 1054 CB LYS A 70 -5.834 9.284 -4.375 1.00 0.00 C ATOM 1055 CG LYS A 70 -7.331 9.120 -4.642 1.00 0.00 C ATOM 1056 CD LYS A 70 -7.630 7.793 -5.331 1.00 0.00 C ATOM 1057 CE LYS A 70 -8.954 7.905 -6.077 1.00 0.00 C ATOM 1058 NZ LYS A 70 -9.171 6.788 -7.020 1.00 0.00 N ATOM 0 H LYS A 70 -3.613 9.696 -3.550 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.091 8.798 -2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.605 10.348 -4.313 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.282 8.888 -5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.878 9.175 -3.701 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.684 9.943 -5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.828 7.540 -6.025 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.680 6.990 -4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.772 7.932 -5.357 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.980 8.848 -6.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.085 6.912 -7.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.407 6.776 -7.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.174 5.889 -6.498 1.00 0.00 H new ATOM 1072 N ILE A 71 -6.068 6.352 -2.540 1.00 0.00 N ATOM 1073 CA ILE A 71 -6.018 4.914 -2.356 1.00 0.00 C ATOM 1074 C ILE A 71 -6.436 4.305 -3.681 1.00 0.00 C ATOM 1075 O ILE A 71 -7.628 4.159 -3.966 1.00 0.00 O ATOM 1076 CB ILE A 71 -6.928 4.511 -1.176 1.00 0.00 C ATOM 1077 CG1 ILE A 71 -6.369 5.157 0.106 1.00 0.00 C ATOM 1078 CG2 ILE A 71 -7.015 2.981 -0.985 1.00 0.00 C ATOM 1079 CD1 ILE A 71 -7.389 5.198 1.230 1.00 0.00 C ATOM 0 H ILE A 71 -6.897 6.768 -2.116 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.024 4.551 -2.095 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.938 4.861 -1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.492 4.601 0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.038 6.171 -0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.668 2.756 -0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.419 2.524 -1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.020 2.582 -0.790 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.943 5.663 2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.256 5.778 0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.701 4.183 1.475 1.00 0.00 H new ATOM 1091 N LEU A 72 -5.444 3.993 -4.510 1.00 0.00 N ATOM 1092 CA LEU A 72 -5.660 3.357 -5.788 1.00 0.00 C ATOM 1093 C LEU A 72 -6.224 1.962 -5.540 1.00 0.00 C ATOM 1094 O LEU A 72 -7.271 1.625 -6.091 1.00 0.00 O ATOM 1095 CB LEU A 72 -4.368 3.327 -6.624 1.00 0.00 C ATOM 1096 CG LEU A 72 -3.702 4.695 -6.891 1.00 0.00 C ATOM 1097 CD1 LEU A 72 -4.697 5.822 -7.192 1.00 0.00 C ATOM 1098 CD2 LEU A 72 -2.680 5.100 -5.858 1.00 0.00 C ATOM 0 H LEU A 72 -4.463 4.180 -4.304 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.379 3.930 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.646 2.686 -6.118 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.590 2.860 -7.583 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.142 4.531 -7.811 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.153 6.750 -7.368 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.278 5.568 -8.079 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.369 5.951 -6.343 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.262 6.071 -6.121 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.157 5.163 -4.880 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.882 4.358 -5.825 1.00 0.00 H new ATOM 1110 N LYS A 73 -5.548 1.155 -4.708 1.00 0.00 N ATOM 1111 CA LYS A 73 -5.922 -0.235 -4.412 1.00 0.00 C ATOM 1112 C LYS A 73 -5.544 -0.628 -2.978 1.00 0.00 C ATOM 1113 O LYS A 73 -4.749 0.061 -2.340 1.00 0.00 O ATOM 1114 CB LYS A 73 -5.227 -1.182 -5.403 1.00 0.00 C ATOM 1115 CG LYS A 73 -5.699 -1.002 -6.853 1.00 0.00 C ATOM 1116 CD LYS A 73 -4.965 -1.941 -7.811 1.00 0.00 C ATOM 1117 CE LYS A 73 -5.283 -3.422 -7.604 1.00 0.00 C ATOM 1118 NZ LYS A 73 -6.673 -3.782 -7.985 1.00 0.00 N ATOM 0 H LYS A 73 -4.709 1.457 -4.213 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.004 -0.318 -4.512 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.150 -1.018 -5.356 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.406 -2.212 -5.096 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.771 -1.189 -6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.538 0.031 -7.162 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.217 -1.667 -8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.891 -1.792 -7.696 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.586 -4.022 -8.189 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.122 -3.678 -6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.826 -4.798 -7.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.344 -3.234 -7.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.824 -3.567 -8.991 1.00 0.00 H new ATOM 1132 N VAL A 74 -6.058 -1.769 -2.507 1.00 0.00 N ATOM 1133 CA VAL A 74 -5.799 -2.393 -1.207 1.00 0.00 C ATOM 1134 C VAL A 74 -5.765 -3.910 -1.472 1.00 0.00 C ATOM 1135 O VAL A 74 -6.572 -4.389 -2.272 1.00 0.00 O ATOM 1136 CB VAL A 74 -6.937 -2.010 -0.218 1.00 0.00 C ATOM 1137 CG1 VAL A 74 -6.798 -2.611 1.191 1.00 0.00 C ATOM 1138 CG2 VAL A 74 -7.077 -0.488 -0.031 1.00 0.00 C ATOM 0 H VAL A 74 -6.712 -2.319 -3.064 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.862 -2.062 -0.759 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.817 -2.433 -0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.636 -2.289 1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.794 -3.699 1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.865 -2.272 1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.886 -0.280 0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.144 -0.082 0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.300 -0.022 -0.991 1.00 0.00 H new ATOM 1148 N TYR A 75 -4.864 -4.652 -0.820 1.00 0.00 N ATOM 1149 CA TYR A 75 -4.847 -6.117 -0.743 1.00 0.00 C ATOM 1150 C TYR A 75 -4.538 -6.512 0.705 1.00 0.00 C ATOM 1151 O TYR A 75 -3.840 -5.765 1.397 1.00 0.00 O ATOM 1152 CB TYR A 75 -3.764 -6.689 -1.668 1.00 0.00 C ATOM 1153 CG TYR A 75 -4.135 -6.686 -3.136 1.00 0.00 C ATOM 1154 CD1 TYR A 75 -4.954 -7.690 -3.681 1.00 0.00 C ATOM 1155 CD2 TYR A 75 -3.638 -5.679 -3.969 1.00 0.00 C ATOM 1156 CE1 TYR A 75 -5.294 -7.672 -5.045 1.00 0.00 C ATOM 1157 CE2 TYR A 75 -3.939 -5.664 -5.338 1.00 0.00 C ATOM 1158 CZ TYR A 75 -4.787 -6.650 -5.881 1.00 0.00 C ATOM 1159 OH TYR A 75 -5.099 -6.577 -7.204 1.00 0.00 O ATOM 0 H TYR A 75 -4.091 -4.228 -0.308 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.813 -6.514 -1.055 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.848 -6.113 -1.535 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.545 -7.712 -1.363 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.325 -8.482 -3.047 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.014 -4.902 -3.552 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.940 -8.436 -5.453 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.522 -4.898 -5.975 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.070 -6.643 -7.315 1.00 0.00 H new ATOM 1169 N ASP A 76 -5.007 -7.673 1.170 1.00 0.00 N ATOM 1170 CA ASP A 76 -4.623 -8.167 2.498 1.00 0.00 C ATOM 1171 C ASP A 76 -3.167 -8.667 2.441 1.00 0.00 C ATOM 1172 O ASP A 76 -2.687 -9.081 1.383 1.00 0.00 O ATOM 1173 CB ASP A 76 -5.582 -9.274 2.967 1.00 0.00 C ATOM 1174 CG ASP A 76 -5.549 -9.419 4.492 1.00 0.00 C ATOM 1175 OD1 ASP A 76 -4.473 -9.737 5.047 1.00 0.00 O ATOM 1176 OD2 ASP A 76 -6.594 -9.166 5.132 1.00 0.00 O ATOM 0 H ASP A 76 -5.644 -8.282 0.657 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.692 -7.358 3.225 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.596 -9.043 2.642 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.306 -10.220 2.502 1.00 0.00 H new ATOM 1181 N GLY A 77 -2.453 -8.645 3.566 1.00 0.00 N ATOM 1182 CA GLY A 77 -1.115 -9.191 3.743 1.00 0.00 C ATOM 1183 C GLY A 77 -1.056 -10.693 3.539 1.00 0.00 C ATOM 1184 O GLY A 77 0.024 -11.200 3.241 1.00 0.00 O ATOM 0 H GLY A 77 -2.815 -8.223 4.421 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.436 -8.708 3.041 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.761 -8.952 4.746 1.00 0.00 H new ATOM 1188 N GLU A 78 -2.188 -11.395 3.616 1.00 0.00 N ATOM 1189 CA GLU A 78 -2.265 -12.830 3.359 1.00 0.00 C ATOM 1190 C GLU A 78 -1.746 -13.176 1.960 1.00 0.00 C ATOM 1191 O GLU A 78 -1.260 -14.286 1.727 1.00 0.00 O ATOM 1192 CB GLU A 78 -3.719 -13.292 3.475 1.00 0.00 C ATOM 1193 CG GLU A 78 -4.289 -13.054 4.879 1.00 0.00 C ATOM 1194 CD GLU A 78 -4.979 -14.305 5.402 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -5.955 -14.766 4.775 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -4.501 -14.868 6.414 1.00 0.00 O ATOM 0 H GLU A 78 -3.085 -10.977 3.861 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.642 -13.337 4.096 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.327 -12.761 2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.782 -14.353 3.233 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.487 -12.765 5.558 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.998 -12.226 4.853 1.00 0.00 H new ATOM 1203 N ILE A 79 -1.797 -12.221 1.026 1.00 0.00 N ATOM 1204 CA ILE A 79 -1.293 -12.407 -0.319 1.00 0.00 C ATOM 1205 C ILE A 79 0.209 -12.730 -0.321 1.00 0.00 C ATOM 1206 O ILE A 79 0.687 -13.358 -1.262 1.00 0.00 O ATOM 1207 CB ILE A 79 -1.651 -11.158 -1.153 1.00 0.00 C ATOM 1208 CG1 ILE A 79 -1.611 -11.510 -2.647 1.00 0.00 C ATOM 1209 CG2 ILE A 79 -0.737 -9.955 -0.833 1.00 0.00 C ATOM 1210 CD1 ILE A 79 -2.205 -10.440 -3.555 1.00 0.00 C ATOM 0 H ILE A 79 -2.193 -11.296 1.193 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.767 -13.273 -0.780 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.661 -10.850 -0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.576 -11.686 -2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.150 -12.444 -2.804 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.030 -9.102 -1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.834 -9.695 0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.299 -10.218 -1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.138 -10.766 -4.593 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.250 -10.279 -3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.652 -9.509 -3.430 1.00 0.00 H new ATOM 1222 N PHE A 80 0.974 -12.354 0.714 1.00 0.00 N ATOM 1223 CA PHE A 80 2.407 -12.629 0.755 1.00 0.00 C ATOM 1224 C PHE A 80 2.718 -14.129 0.848 1.00 0.00 C ATOM 1225 O PHE A 80 3.855 -14.550 0.609 1.00 0.00 O ATOM 1226 CB PHE A 80 3.081 -11.842 1.889 1.00 0.00 C ATOM 1227 CG PHE A 80 4.605 -11.917 1.866 1.00 0.00 C ATOM 1228 CD1 PHE A 80 5.314 -11.757 0.658 1.00 0.00 C ATOM 1229 CD2 PHE A 80 5.318 -12.236 3.036 1.00 0.00 C ATOM 1230 CE1 PHE A 80 6.705 -11.953 0.610 1.00 0.00 C ATOM 1231 CE2 PHE A 80 6.714 -12.392 2.994 1.00 0.00 C ATOM 1232 CZ PHE A 80 7.410 -12.260 1.783 1.00 0.00 C ATOM 0 H PHE A 80 0.619 -11.859 1.532 1.00 0.00 H new ATOM 0 HA PHE A 80 2.825 -12.289 -0.192 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.776 -10.797 1.825 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.722 -12.221 2.846 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.782 -11.481 -0.241 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.791 -12.361 3.970 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.231 -11.867 -0.330 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.255 -12.615 3.901 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.481 -12.394 1.754 1.00 0.00 H new ATOM 1242 N TYR A 81 1.719 -14.958 1.145 1.00 0.00 N ATOM 1243 CA TYR A 81 1.874 -16.401 1.247 1.00 0.00 C ATOM 1244 C TYR A 81 1.375 -17.082 -0.038 1.00 0.00 C ATOM 1245 O TYR A 81 1.607 -18.277 -0.227 1.00 0.00 O ATOM 1246 CB TYR A 81 1.255 -16.875 2.577 1.00 0.00 C ATOM 1247 CG TYR A 81 1.708 -15.965 3.718 1.00 0.00 C ATOM 1248 CD1 TYR A 81 3.055 -15.977 4.132 1.00 0.00 C ATOM 1249 CD2 TYR A 81 0.856 -14.947 4.187 1.00 0.00 C ATOM 1250 CE1 TYR A 81 3.557 -14.958 4.963 1.00 0.00 C ATOM 1251 CE2 TYR A 81 1.357 -13.909 4.993 1.00 0.00 C ATOM 1252 CZ TYR A 81 2.711 -13.913 5.389 1.00 0.00 C ATOM 1253 OH TYR A 81 3.208 -12.871 6.114 1.00 0.00 O ATOM 0 H TYR A 81 0.767 -14.638 1.323 1.00 0.00 H new ATOM 0 HA TYR A 81 2.920 -16.704 1.301 1.00 0.00 H new ATOM 0 HB2 TYR A 81 0.167 -16.867 2.505 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.554 -17.903 2.781 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.707 -16.775 3.809 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.192 -14.963 3.925 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.591 -14.976 5.275 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.705 -13.108 5.309 1.00 0.00 H new ATOM 0 HH TYR A 81 2.485 -12.242 6.321 1.00 0.00 H new ATOM 1263 N HIS A 82 0.801 -16.316 -0.979 1.00 0.00 N ATOM 1264 CA HIS A 82 0.237 -16.749 -2.249 1.00 0.00 C ATOM 1265 C HIS A 82 1.357 -17.020 -3.257 1.00 0.00 C ATOM 1266 O HIS A 82 1.474 -16.340 -4.276 1.00 0.00 O ATOM 1267 CB HIS A 82 -0.774 -15.705 -2.772 1.00 0.00 C ATOM 1268 CG HIS A 82 -1.573 -16.177 -3.966 1.00 0.00 C ATOM 1269 ND1 HIS A 82 -2.677 -16.996 -3.926 1.00 0.00 N ATOM 1270 CD2 HIS A 82 -1.343 -15.857 -5.278 1.00 0.00 C ATOM 1271 CE1 HIS A 82 -3.095 -17.179 -5.191 1.00 0.00 C ATOM 1272 NE2 HIS A 82 -2.311 -16.507 -6.058 1.00 0.00 N ATOM 0 H HIS A 82 0.717 -15.307 -0.855 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.307 -17.682 -2.103 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.461 -15.443 -1.967 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.237 -14.796 -3.042 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.555 -15.217 -5.647 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.944 -17.783 -5.474 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.403 -16.477 -7.073 1.00 0.00 H new ATOM 1280 N ARG A 83 2.108 -18.090 -3.008 1.00 0.00 N ATOM 1281 CA ARG A 83 2.927 -18.860 -3.940 1.00 0.00 C ATOM 1282 C ARG A 83 4.056 -18.119 -4.651 1.00 0.00 C ATOM 1283 O ARG A 83 4.617 -18.731 -5.590 1.00 0.00 O ATOM 1284 CB ARG A 83 2.008 -19.618 -4.930 1.00 0.00 C ATOM 1285 CG ARG A 83 1.267 -18.704 -5.923 1.00 0.00 C ATOM 1286 CD ARG A 83 0.847 -19.391 -7.217 1.00 0.00 C ATOM 1287 NE ARG A 83 -0.018 -18.513 -8.015 1.00 0.00 N ATOM 1288 CZ ARG A 83 0.344 -17.373 -8.617 1.00 0.00 C ATOM 1289 NH1 ARG A 83 1.619 -17.022 -8.722 1.00 0.00 N ATOM 1290 NH2 ARG A 83 -0.576 -16.575 -9.134 1.00 0.00 N ATOM 0 H ARG A 83 2.164 -18.474 -2.065 1.00 0.00 H new ATOM 0 HA ARG A 83 3.482 -19.560 -3.315 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.608 -20.335 -5.490 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.274 -20.191 -4.363 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.379 -18.301 -5.435 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.908 -17.857 -6.167 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.731 -19.661 -7.795 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.321 -20.318 -6.988 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.991 -18.800 -8.121 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.347 -17.625 -8.340 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.871 -16.149 -9.185 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.562 -16.828 -9.074 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.299 -15.707 -9.592 1.00 0.00 H new TER 1304 ARG A 83