USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot -53:sc= 1.24 USER MOD Set 1.2: A 57 SER OG : rot -25:sc= 0.00153 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.41 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -114:sc= 1.08 (180deg=0.178) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.285 USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.0456) USER MOD Single : A 1 MET N :NH3+ 173:sc= 2.36 (180deg=2.32) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.065) USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 0.764 (180deg=0.0638) USER MOD Single : A 14 THR OG1 : rot -73:sc= 0.0243 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.08 K(o=1.1,f=-1.2) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 1.56 (180deg=1.56) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00775) USER MOD Single : A 31 GLN : amide:sc= -0.065 X(o=-0.065,f=-0.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.165 K(o=-0.17,f=-3.2!) USER MOD Single : A 41 GLN : amide:sc= 0.995 K(o=0.99,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.655 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 88:sc= 0.811 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.318 K(o=0.32,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.268 -7.386 -4.988 1.00 9.67 N ATOM 2 CA MET A 1 11.383 -7.622 -3.487 1.00 10.38 C ATOM 3 C MET A 1 10.008 -7.784 -2.802 1.00 9.62 C ATOM 4 O MET A 1 8.993 -7.183 -3.250 1.00 9.62 O ATOM 5 CB MET A 1 12.103 -6.438 -2.850 1.00 13.77 C ATOM 6 CG MET A 1 11.280 -5.318 -2.100 1.00 16.29 C ATOM 7 SD MET A 1 12.420 -4.056 -1.486 1.00 17.17 S ATOM 8 CE MET A 1 11.031 -3.025 -1.090 1.00 16.11 C ATOM 0 H1 MET A 1 12.207 -7.167 -5.378 1.00 9.67 H new ATOM 0 H2 MET A 1 10.894 -8.241 -5.446 1.00 9.67 H new ATOM 0 H3 MET A 1 10.625 -6.589 -5.166 1.00 9.67 H new ATOM 0 HA MET A 1 11.937 -8.550 -3.348 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.822 -6.842 -2.138 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.675 -5.946 -3.637 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.552 -4.870 -2.776 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.720 -5.754 -1.272 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.372 -2.154 -0.530 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.547 -2.698 -2.010 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.320 -3.589 -0.486 1.00 16.11 H new ATOM 20 N GLN A 2 9.912 -8.592 -1.763 1.00 9.27 N ATOM 21 CA GLN A 2 8.606 -8.984 -1.201 1.00 9.07 C ATOM 22 C GLN A 2 8.215 -7.988 -0.172 1.00 8.72 C ATOM 23 O GLN A 2 9.031 -7.602 0.647 1.00 8.22 O ATOM 24 CB GLN A 2 8.897 -10.465 -0.671 1.00 14.46 C ATOM 25 CG GLN A 2 7.657 -11.172 -0.041 1.00 17.01 C ATOM 26 CD GLN A 2 7.835 -12.673 -0.003 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.093 -13.284 1.065 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.689 -13.278 -1.210 1.00 19.49 N ATOM 0 H GLN A 2 10.715 -8.997 -1.282 1.00 9.27 H new ATOM 0 HA GLN A 2 7.755 -8.996 -1.882 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.264 -11.070 -1.500 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.694 -10.423 0.071 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.498 -10.798 0.970 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.765 -10.925 -0.616 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.480 -12.720 -2.038 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.789 -14.290 -1.289 1.00 19.49 H new ATOM 37 N ILE A 3 6.966 -7.513 -0.126 1.00 5.87 N ATOM 38 CA ILE A 3 6.421 -6.771 0.994 1.00 5.07 C ATOM 39 C ILE A 3 5.130 -7.521 1.255 1.00 4.01 C ATOM 40 O ILE A 3 4.683 -8.291 0.391 1.00 4.61 O ATOM 41 CB ILE A 3 6.093 -5.327 0.648 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.964 -5.130 -0.477 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.413 -4.527 0.306 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.593 -3.699 -0.662 1.00 10.83 C ATOM 0 H ILE A 3 6.299 -7.641 -0.887 1.00 5.87 H new ATOM 0 HA ILE A 3 7.119 -6.713 1.829 1.00 5.07 H new ATOM 0 HB ILE A 3 5.640 -4.909 1.547 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.323 -5.535 -1.423 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.077 -5.700 -0.202 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.160 -3.496 0.061 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.081 -4.542 1.167 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.909 -4.991 -0.546 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.827 -3.619 -1.433 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.208 -3.299 0.276 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.473 -3.131 -0.964 1.00 10.83 H new ATOM 56 N PHE A 4 4.519 -7.357 2.384 1.00 4.55 N ATOM 57 CA PHE A 4 3.298 -8.042 2.861 1.00 4.68 C ATOM 58 C PHE A 4 2.381 -6.881 3.240 1.00 5.30 C ATOM 59 O PHE A 4 2.719 -5.925 3.920 1.00 5.58 O ATOM 60 CB PHE A 4 3.411 -8.914 4.147 1.00 4.83 C ATOM 61 CG PHE A 4 4.546 -9.896 3.982 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.291 -11.068 3.178 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.827 -9.718 4.541 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.283 -11.970 3.038 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.805 -10.716 4.471 1.00 10.61 C ATOM 66 CZ PHE A 4 6.547 -11.839 3.707 1.00 8.90 C ATOM 0 H PHE A 4 4.867 -6.691 3.074 1.00 4.55 H new ATOM 0 HA PHE A 4 2.988 -8.734 2.078 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.586 -8.280 5.016 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.476 -9.446 4.323 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.333 -11.218 2.702 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.060 -8.787 5.036 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.121 -12.825 2.398 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.740 -10.612 5.002 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.293 -12.614 3.614 1.00 8.90 H new ATOM 76 N VAL A 5 1.157 -6.957 2.783 1.00 4.44 N ATOM 77 CA VAL A 5 0.143 -5.955 3.056 1.00 3.87 C ATOM 78 C VAL A 5 -0.809 -6.601 4.045 1.00 4.93 C ATOM 79 O VAL A 5 -1.285 -7.716 3.831 1.00 6.84 O ATOM 80 CB VAL A 5 -0.617 -5.669 1.758 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.865 -4.859 2.115 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.279 -4.709 0.888 1.00 9.13 C ATOM 0 H VAL A 5 0.826 -7.727 2.201 1.00 4.44 H new ATOM 0 HA VAL A 5 0.568 -5.027 3.439 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.860 -6.598 1.242 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.428 -4.640 1.208 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.489 -5.434 2.799 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.568 -3.925 2.593 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.232 -4.483 -0.048 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.459 -3.784 1.436 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.231 -5.195 0.673 1.00 9.13 H new ATOM 92 N LYS A 6 -1.002 -5.924 5.175 1.00 6.04 N ATOM 93 CA LYS A 6 -1.758 -6.463 6.232 1.00 6.12 C ATOM 94 C LYS A 6 -2.969 -5.662 6.490 1.00 6.57 C ATOM 95 O LYS A 6 -2.981 -4.495 6.758 1.00 5.76 O ATOM 96 CB LYS A 6 -0.922 -6.459 7.511 1.00 7.45 C ATOM 97 CG LYS A 6 -1.589 -7.207 8.764 1.00 11.12 C ATOM 98 CD LYS A 6 -1.483 -8.765 8.655 1.00 14.54 C ATOM 99 CE LYS A 6 -2.131 -9.464 9.798 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.205 -10.908 9.556 1.00 20.55 N ATOM 0 H LYS A 6 -0.628 -4.992 5.354 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.045 -7.475 5.948 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.040 -6.926 7.299 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.720 -5.425 7.791 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.103 -6.876 9.682 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.638 -6.921 8.838 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.946 -9.093 7.724 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.432 -9.052 8.607 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.569 -9.273 10.712 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.134 -9.065 9.952 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -3.201 -11.194 9.463 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.695 -11.140 8.680 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.772 -11.416 10.353 1.00 20.55 H new ATOM 114 N THR A 7 -4.185 -6.251 6.297 1.00 7.41 N ATOM 115 CA THR A 7 -5.418 -5.550 6.490 1.00 7.48 C ATOM 116 C THR A 7 -5.846 -5.318 7.945 1.00 8.75 C ATOM 117 O THR A 7 -5.381 -6.013 8.817 1.00 8.58 O ATOM 118 CB THR A 7 -6.624 -6.019 5.658 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.159 -7.243 6.133 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.172 -6.187 4.183 1.00 9.17 C ATOM 0 H THR A 7 -4.301 -7.221 6.005 1.00 7.41 H new ATOM 0 HA THR A 7 -5.116 -4.586 6.081 1.00 7.48 H new ATOM 0 HB THR A 7 -7.410 -5.268 5.742 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.923 -7.503 5.578 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.016 -6.519 3.579 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.808 -5.232 3.803 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.374 -6.927 4.129 1.00 9.17 H new ATOM 128 N LEU A 8 -6.782 -4.363 8.241 1.00 9.84 N ATOM 129 CA LEU A 8 -7.361 -4.122 9.571 1.00 14.15 C ATOM 130 C LEU A 8 -8.089 -5.354 10.064 1.00 17.37 C ATOM 131 O LEU A 8 -8.047 -5.638 11.253 1.00 17.01 O ATOM 132 CB LEU A 8 -8.278 -2.833 9.654 1.00 16.63 C ATOM 133 CG LEU A 8 -7.563 -1.450 9.326 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.507 -0.291 9.617 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.242 -1.181 9.998 1.00 18.59 C ATOM 0 H LEU A 8 -7.153 -3.732 7.531 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.521 -3.915 10.235 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.114 -2.960 8.966 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.698 -2.774 10.658 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.321 -1.538 8.267 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.008 0.651 9.389 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.401 -0.386 9.001 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.789 -0.307 10.670 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.867 -0.206 9.686 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.376 -1.190 11.080 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.526 -1.952 9.715 1.00 18.59 H new ATOM 147 N THR A 9 -8.705 -6.151 9.158 1.00 18.33 N ATOM 148 CA THR A 9 -9.449 -7.310 9.555 1.00 19.24 C ATOM 149 C THR A 9 -8.647 -8.550 9.337 1.00 19.48 C ATOM 150 O THR A 9 -9.126 -9.686 9.333 1.00 23.14 O ATOM 151 CB THR A 9 -10.774 -7.401 8.801 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.621 -7.304 7.356 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.740 -6.239 9.262 1.00 19.70 C ATOM 0 H THR A 9 -8.685 -5.989 8.151 1.00 18.33 H new ATOM 0 HA THR A 9 -9.668 -7.215 10.619 1.00 19.24 H new ATOM 0 HB THR A 9 -11.185 -8.383 9.036 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.500 -7.370 6.929 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.682 -6.312 8.719 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.930 -6.327 10.332 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.275 -5.275 9.054 1.00 19.70 H new ATOM 161 N GLY A 10 -7.350 -8.317 9.167 1.00 19.43 N ATOM 162 CA GLY A 10 -6.257 -9.184 9.467 1.00 18.74 C ATOM 163 C GLY A 10 -5.737 -10.008 8.329 1.00 17.62 C ATOM 164 O GLY A 10 -4.884 -10.881 8.605 1.00 19.74 O ATOM 0 H GLY A 10 -7.027 -7.431 8.779 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.437 -8.580 9.856 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.564 -9.858 10.267 1.00 18.74 H new ATOM 168 N LYS A 11 -6.242 -9.791 7.107 1.00 13.56 N ATOM 169 CA LYS A 11 -5.795 -10.489 5.935 1.00 11.91 C ATOM 170 C LYS A 11 -4.347 -10.181 5.598 1.00 10.18 C ATOM 171 O LYS A 11 -3.911 -9.066 5.786 1.00 9.10 O ATOM 172 CB LYS A 11 -6.749 -10.330 4.726 1.00 13.43 C ATOM 173 CG LYS A 11 -6.342 -11.063 3.485 1.00 16.69 C ATOM 174 CD LYS A 11 -7.493 -11.254 2.449 1.00 17.92 C ATOM 175 CE LYS A 11 -7.146 -12.026 1.190 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.255 -12.038 0.265 1.00 21.93 N ATOM 0 H LYS A 11 -6.981 -9.113 6.922 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.830 -11.549 6.185 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.741 -10.672 5.020 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.835 -9.269 4.489 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.525 -10.522 3.008 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.954 -12.042 3.765 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.319 -11.764 2.946 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.856 -10.269 2.156 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.275 -11.577 0.713 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.874 -13.049 1.450 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.925 -12.357 -0.668 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.990 -12.686 0.613 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.649 -11.079 0.183 1.00 21.93 H new ATOM 190 N THR A 12 -3.605 -11.107 4.998 1.00 9.63 N ATOM 191 CA THR A 12 -2.227 -10.921 4.659 1.00 9.85 C ATOM 192 C THR A 12 -2.151 -11.157 3.171 1.00 11.66 C ATOM 193 O THR A 12 -2.472 -12.268 2.719 1.00 12.33 O ATOM 194 CB THR A 12 -1.220 -11.838 5.302 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.402 -11.757 6.696 1.00 10.91 O ATOM 196 CG2 THR A 12 0.223 -11.361 5.048 1.00 9.63 C ATOM 0 H THR A 12 -3.968 -12.023 4.735 1.00 9.63 H new ATOM 0 HA THR A 12 -1.956 -9.928 5.017 1.00 9.85 H new ATOM 0 HB THR A 12 -1.362 -12.839 4.894 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.760 -12.346 7.145 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.922 -12.047 5.527 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.415 -11.337 3.975 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.354 -10.361 5.462 1.00 9.63 H new ATOM 204 N ILE A 13 -1.709 -10.167 2.384 1.00 10.42 N ATOM 205 CA ILE A 13 -1.407 -10.259 0.936 1.00 11.84 C ATOM 206 C ILE A 13 0.041 -9.994 0.723 1.00 10.55 C ATOM 207 O ILE A 13 0.477 -8.871 0.896 1.00 11.92 O ATOM 208 CB ILE A 13 -2.146 -9.245 0.102 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.673 -9.517 0.225 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.745 -9.569 -1.393 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.536 -8.450 0.941 1.00 16.46 C ATOM 0 H ILE A 13 -1.542 -9.230 2.752 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.713 -11.259 0.629 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.916 -8.224 0.405 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.072 -9.652 -0.780 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.804 -10.463 0.750 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.245 -8.870 -2.063 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.665 -9.473 -1.509 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.048 -10.587 -1.638 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.577 -8.772 0.952 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.184 -8.324 1.965 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.456 -7.501 0.411 1.00 16.46 H new ATOM 223 N THR A 14 0.785 -10.998 0.091 1.00 9.39 N ATOM 224 CA THR A 14 2.162 -10.799 -0.367 1.00 9.63 C ATOM 225 C THR A 14 2.260 -10.169 -1.701 1.00 11.20 C ATOM 226 O THR A 14 1.650 -10.633 -2.677 1.00 11.63 O ATOM 227 CB THR A 14 2.813 -12.213 -0.509 1.00 10.38 C ATOM 228 OG1 THR A 14 2.613 -13.019 0.642 1.00 16.30 O ATOM 229 CG2 THR A 14 4.364 -12.232 -0.779 1.00 11.66 C ATOM 0 H THR A 14 0.421 -11.933 -0.093 1.00 9.39 H new ATOM 0 HA THR A 14 2.649 -10.145 0.357 1.00 9.63 H new ATOM 0 HB THR A 14 2.299 -12.603 -1.387 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.177 -12.691 1.373 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.707 -13.264 -0.860 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.578 -11.705 -1.709 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.883 -11.741 0.044 1.00 11.66 H new ATOM 237 N LEU A 15 3.062 -9.095 -1.851 1.00 8.29 N ATOM 238 CA LEU A 15 3.244 -8.512 -3.177 1.00 9.03 C ATOM 239 C LEU A 15 4.682 -8.709 -3.588 1.00 8.59 C ATOM 240 O LEU A 15 5.530 -9.124 -2.822 1.00 7.79 O ATOM 241 CB LEU A 15 2.902 -6.923 -3.212 1.00 11.08 C ATOM 242 CG LEU A 15 1.417 -6.648 -2.848 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.287 -5.133 -3.091 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.267 -7.396 -3.641 1.00 15.27 C ATOM 0 H LEU A 15 3.572 -8.635 -1.097 1.00 8.29 H new ATOM 0 HA LEU A 15 2.556 -9.010 -3.860 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.552 -6.395 -2.514 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.113 -6.527 -4.205 1.00 11.08 H new ATOM 0 HG LEU A 15 1.252 -7.026 -1.839 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.269 -4.814 -2.866 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.985 -4.600 -2.446 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.514 -4.911 -4.134 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.703 -7.084 -3.255 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.334 -7.147 -4.700 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.379 -8.473 -3.514 1.00 15.27 H new ATOM 256 N GLU A 16 4.973 -8.437 -4.879 1.00 11.04 N ATOM 257 CA GLU A 16 6.271 -8.484 -5.555 1.00 11.50 C ATOM 258 C GLU A 16 6.410 -7.041 -6.095 1.00 10.13 C ATOM 259 O GLU A 16 5.823 -6.629 -7.133 1.00 9.83 O ATOM 260 CB GLU A 16 6.352 -9.448 -6.778 1.00 17.22 C ATOM 261 CG GLU A 16 7.687 -9.311 -7.528 1.00 23.33 C ATOM 262 CD GLU A 16 8.865 -9.567 -6.642 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.797 -10.449 -5.757 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.887 -8.825 -6.746 1.00 28.90 O ATOM 0 H GLU A 16 4.235 -8.155 -5.524 1.00 11.04 H new ATOM 0 HA GLU A 16 7.036 -8.840 -4.865 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.230 -10.477 -6.438 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.529 -9.238 -7.461 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.705 -10.010 -8.364 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.763 -8.309 -7.949 1.00 23.33 H new ATOM 271 N VAL A 17 7.242 -6.210 -5.457 1.00 8.99 N ATOM 272 CA VAL A 17 7.429 -4.817 -5.712 1.00 8.85 C ATOM 273 C VAL A 17 8.898 -4.454 -5.805 1.00 8.04 C ATOM 274 O VAL A 17 9.658 -5.062 -5.042 1.00 8.99 O ATOM 275 CB VAL A 17 6.759 -3.881 -4.687 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.261 -4.121 -4.614 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.331 -4.176 -3.286 1.00 10.54 C ATOM 0 H VAL A 17 7.836 -6.540 -4.696 1.00 8.99 H new ATOM 0 HA VAL A 17 6.935 -4.660 -6.671 1.00 8.85 H new ATOM 0 HB VAL A 17 6.953 -2.855 -5.000 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.819 -3.445 -3.882 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.815 -3.939 -5.592 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.072 -5.152 -4.316 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.862 -3.517 -2.555 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.129 -5.214 -3.022 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.408 -4.006 -3.289 1.00 10.54 H new ATOM 287 N GLU A 18 9.358 -3.533 -6.622 1.00 7.29 N ATOM 288 CA GLU A 18 10.674 -2.987 -6.528 1.00 7.08 C ATOM 289 C GLU A 18 10.659 -1.817 -5.518 1.00 6.45 C ATOM 290 O GLU A 18 9.617 -1.178 -5.523 1.00 5.28 O ATOM 291 CB GLU A 18 11.109 -2.385 -7.899 1.00 10.28 C ATOM 292 CG GLU A 18 11.241 -3.410 -9.030 1.00 12.65 C ATOM 293 CD GLU A 18 12.319 -4.439 -8.742 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.523 -4.180 -9.044 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.025 -5.495 -8.119 1.00 18.17 O ATOM 0 H GLU A 18 8.807 -3.140 -7.385 1.00 7.29 H new ATOM 0 HA GLU A 18 11.355 -3.781 -6.223 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.384 -1.627 -8.195 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.066 -1.878 -7.772 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.286 -3.916 -9.174 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.472 -2.894 -9.962 1.00 12.65 H new ATOM 302 N PRO A 19 11.689 -1.479 -4.727 1.00 7.24 N ATOM 303 CA PRO A 19 11.705 -0.360 -3.805 1.00 7.07 C ATOM 304 C PRO A 19 11.520 1.002 -4.589 1.00 6.65 C ATOM 305 O PRO A 19 11.177 1.976 -3.991 1.00 6.37 O ATOM 306 CB PRO A 19 13.178 -0.454 -3.167 1.00 7.61 C ATOM 307 CG PRO A 19 13.997 -1.280 -4.180 1.00 8.16 C ATOM 308 CD PRO A 19 13.005 -2.214 -4.823 1.00 7.49 C ATOM 0 HA PRO A 19 10.908 -0.391 -3.062 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.610 0.536 -3.023 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.155 -0.937 -2.190 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.470 -0.636 -4.922 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.794 -1.833 -3.684 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.269 -2.424 -5.859 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.965 -3.172 -4.304 1.00 7.49 H new ATOM 316 N SER A 20 11.830 1.053 -5.920 1.00 6.80 N ATOM 317 CA SER A 20 11.767 2.176 -6.708 1.00 6.28 C ATOM 318 C SER A 20 10.487 2.342 -7.475 1.00 8.45 C ATOM 319 O SER A 20 10.400 3.160 -8.372 1.00 7.26 O ATOM 320 CB SER A 20 12.884 2.311 -7.681 1.00 8.57 C ATOM 321 OG SER A 20 14.104 2.029 -6.969 1.00 11.13 O ATOM 0 H SER A 20 12.140 0.229 -6.435 1.00 6.80 H new ATOM 0 HA SER A 20 11.838 2.961 -5.955 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.755 1.619 -8.513 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.908 3.316 -8.103 1.00 8.57 H new ATOM 0 HG SER A 20 14.865 2.107 -7.581 1.00 11.13 H new ATOM 327 N ASP A 21 9.472 1.498 -7.166 1.00 7.50 N ATOM 328 CA ASP A 21 8.121 1.649 -7.653 1.00 7.70 C ATOM 329 C ASP A 21 7.295 2.569 -6.775 1.00 7.08 C ATOM 330 O ASP A 21 7.628 2.843 -5.643 1.00 8.11 O ATOM 331 CB ASP A 21 7.424 0.273 -7.857 1.00 11.00 C ATOM 332 CG ASP A 21 6.361 0.273 -8.923 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.132 1.346 -9.480 1.00 14.36 O ATOM 334 OD2 ASP A 21 5.906 -0.836 -9.264 1.00 18.03 O ATOM 0 H ASP A 21 9.594 0.687 -6.560 1.00 7.50 H new ATOM 0 HA ASP A 21 8.192 2.125 -8.631 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.179 -0.470 -8.113 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.977 -0.039 -6.913 1.00 11.00 H new ATOM 339 N THR A 22 6.198 3.129 -7.308 1.00 5.37 N ATOM 340 CA THR A 22 5.400 4.090 -6.539 1.00 6.01 C ATOM 341 C THR A 22 4.208 3.473 -5.730 1.00 8.01 C ATOM 342 O THR A 22 3.638 2.471 -6.137 1.00 8.11 O ATOM 343 CB THR A 22 4.731 5.210 -7.360 1.00 8.92 C ATOM 344 OG1 THR A 22 3.856 4.870 -8.460 1.00 10.22 O ATOM 345 CG2 THR A 22 5.856 5.977 -7.968 1.00 9.65 C ATOM 0 H THR A 22 5.851 2.937 -8.248 1.00 5.37 H new ATOM 0 HA THR A 22 6.183 4.478 -5.888 1.00 6.01 H new ATOM 0 HB THR A 22 4.077 5.712 -6.647 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.515 5.691 -8.872 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.457 6.794 -8.569 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.488 6.383 -7.178 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.447 5.315 -8.601 1.00 9.65 H new ATOM 353 N ILE A 23 3.758 4.168 -4.678 1.00 8.32 N ATOM 354 CA ILE A 23 2.517 3.825 -3.882 1.00 9.92 C ATOM 355 C ILE A 23 1.172 3.738 -4.741 1.00 10.01 C ATOM 356 O ILE A 23 0.320 2.865 -4.574 1.00 8.71 O ATOM 357 CB ILE A 23 2.454 4.754 -2.689 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.493 4.355 -1.633 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.021 4.757 -2.078 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.279 3.022 -0.996 1.00 12.30 C ATOM 0 H ILE A 23 4.234 5.000 -4.331 1.00 8.32 H new ATOM 0 HA ILE A 23 2.600 2.799 -3.523 1.00 9.92 H new ATOM 0 HB ILE A 23 2.687 5.764 -3.027 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.479 4.363 -2.097 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.502 5.115 -0.852 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.992 5.430 -1.221 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.306 5.094 -2.828 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.760 3.749 -1.756 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.067 2.837 -0.266 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.311 3.009 -0.496 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.303 2.245 -1.760 1.00 12.30 H new ATOM 372 N GLU A 24 1.020 4.535 -5.816 1.00 9.54 N ATOM 373 CA GLU A 24 -0.092 4.419 -6.748 1.00 11.81 C ATOM 374 C GLU A 24 -0.053 3.051 -7.457 1.00 11.14 C ATOM 375 O GLU A 24 -1.047 2.317 -7.533 1.00 10.62 O ATOM 376 CB GLU A 24 0.058 5.646 -7.757 1.00 19.24 C ATOM 377 CG GLU A 24 -1.236 6.027 -8.443 1.00 27.76 C ATOM 378 CD GLU A 24 -1.061 7.208 -9.343 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.018 7.396 -9.998 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.023 8.005 -9.444 1.00 36.51 O ATOM 0 H GLU A 24 1.676 5.279 -6.054 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.062 4.462 -6.252 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.439 6.510 -7.212 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.801 5.394 -8.514 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.603 5.180 -9.022 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.993 6.252 -7.692 1.00 27.76 H new ATOM 387 N ASN A 25 1.166 2.607 -7.842 1.00 9.43 N ATOM 388 CA ASN A 25 1.368 1.304 -8.405 1.00 10.96 C ATOM 389 C ASN A 25 1.156 0.144 -7.520 1.00 9.68 C ATOM 390 O ASN A 25 0.619 -0.909 -7.959 1.00 9.33 O ATOM 391 CB ASN A 25 2.840 1.250 -9.001 1.00 16.78 C ATOM 392 CG ASN A 25 2.885 2.033 -10.320 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.939 2.661 -10.800 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.131 2.054 -10.938 1.00 24.70 N ATOM 0 H ASN A 25 2.019 3.161 -7.760 1.00 9.43 H new ATOM 0 HA ASN A 25 0.587 1.197 -9.157 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.548 1.674 -8.289 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.138 0.215 -9.169 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.267 2.592 -11.794 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.909 1.532 -10.535 1.00 24.70 H new ATOM 401 N VAL A 26 1.564 0.300 -6.260 1.00 6.52 N ATOM 402 CA VAL A 26 1.292 -0.670 -5.178 1.00 5.53 C ATOM 403 C VAL A 26 -0.128 -0.851 -5.001 1.00 4.42 C ATOM 404 O VAL A 26 -0.681 -2.003 -4.919 1.00 3.40 O ATOM 405 CB VAL A 26 1.949 -0.164 -3.827 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.672 -1.101 -2.674 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.441 -0.025 -4.066 1.00 8.12 C ATOM 0 H VAL A 26 2.100 1.111 -5.950 1.00 6.52 H new ATOM 0 HA VAL A 26 1.728 -1.630 -5.453 1.00 5.53 H new ATOM 0 HB VAL A 26 1.513 0.795 -3.548 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.141 -0.714 -1.770 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.596 -1.179 -2.519 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.079 -2.087 -2.900 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.925 0.323 -3.153 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.856 -0.992 -4.351 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.616 0.694 -4.866 1.00 8.12 H new ATOM 417 N LYS A 27 -0.894 0.269 -4.987 1.00 2.64 N ATOM 418 CA LYS A 27 -2.332 0.244 -4.897 1.00 4.14 C ATOM 419 C LYS A 27 -3.043 -0.465 -6.044 1.00 5.58 C ATOM 420 O LYS A 27 -3.992 -1.224 -5.797 1.00 4.11 O ATOM 421 CB LYS A 27 -2.944 1.559 -4.503 1.00 3.97 C ATOM 422 CG LYS A 27 -2.367 2.062 -3.162 1.00 7.45 C ATOM 423 CD LYS A 27 -3.071 3.319 -2.618 1.00 9.02 C ATOM 424 CE LYS A 27 -2.923 4.559 -3.539 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.953 5.552 -3.212 1.00 15.47 N ATOM 0 H LYS A 27 -0.505 1.210 -5.039 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.523 -0.412 -4.048 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.758 2.298 -5.282 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.025 1.450 -4.419 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.443 1.265 -2.422 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.306 2.277 -3.291 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.130 3.102 -2.482 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.665 3.556 -1.635 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.932 4.997 -3.417 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.013 4.260 -4.583 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.826 6.393 -3.810 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.895 5.145 -3.383 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.869 5.823 -2.211 1.00 15.47 H new ATOM 439 N ALA A 28 -2.542 -0.280 -7.257 1.00 6.61 N ATOM 440 CA ALA A 28 -2.854 -1.049 -8.484 1.00 7.74 C ATOM 441 C ALA A 28 -2.597 -2.567 -8.298 1.00 9.17 C ATOM 442 O ALA A 28 -3.392 -3.420 -8.669 1.00 11.45 O ATOM 443 CB ALA A 28 -2.063 -0.553 -9.673 1.00 7.68 C ATOM 0 H ALA A 28 -1.860 0.457 -7.437 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.916 -0.894 -8.675 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.320 -1.143 -10.553 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.300 0.495 -9.856 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.997 -0.653 -9.468 1.00 7.68 H new ATOM 449 N LYS A 29 -1.474 -2.981 -7.639 1.00 8.96 N ATOM 450 CA LYS A 29 -1.237 -4.335 -7.275 1.00 7.90 C ATOM 451 C LYS A 29 -2.234 -5.055 -6.356 1.00 6.92 C ATOM 452 O LYS A 29 -2.610 -6.208 -6.525 1.00 6.87 O ATOM 453 CB LYS A 29 0.190 -4.537 -6.816 1.00 10.28 C ATOM 454 CG LYS A 29 1.232 -4.395 -7.918 1.00 14.94 C ATOM 455 CD LYS A 29 2.708 -4.546 -7.385 1.00 19.69 C ATOM 456 CE LYS A 29 3.800 -4.257 -8.388 1.00 22.63 C ATOM 457 NZ LYS A 29 3.718 -5.193 -9.499 1.00 24.98 N ATOM 0 H LYS A 29 -0.725 -2.346 -7.361 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.423 -4.846 -8.220 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.411 -3.816 -6.029 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.280 -5.529 -6.374 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.048 -5.148 -8.685 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.120 -3.421 -8.394 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.837 -3.879 -6.533 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.839 -5.563 -7.016 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.706 -3.235 -8.755 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.775 -4.335 -7.908 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.503 -5.019 -10.158 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.778 -6.166 -9.138 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.814 -5.063 -9.996 1.00 24.98 H new ATOM 471 N ILE A 30 -2.754 -4.302 -5.352 1.00 4.57 N ATOM 472 CA ILE A 30 -3.865 -4.796 -4.579 1.00 5.58 C ATOM 473 C ILE A 30 -5.197 -4.687 -5.318 1.00 7.26 C ATOM 474 O ILE A 30 -6.051 -5.585 -5.128 1.00 9.46 O ATOM 475 CB ILE A 30 -4.024 -4.068 -3.191 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.822 -4.479 -2.255 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.374 -4.263 -2.448 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.745 -5.990 -1.870 1.00 2.00 C ATOM 0 H ILE A 30 -2.415 -3.378 -5.083 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.623 -5.846 -4.412 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.016 -3.005 -3.430 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.891 -4.202 -2.749 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.884 -3.893 -1.338 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.355 -3.711 -1.508 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.189 -3.892 -3.070 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.527 -5.323 -2.244 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.882 -6.158 -1.226 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.654 -6.278 -1.341 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.645 -6.591 -2.774 1.00 2.00 H new ATOM 490 N GLN A 31 -5.361 -3.797 -6.355 1.00 7.06 N ATOM 491 CA GLN A 31 -6.535 -3.810 -7.189 1.00 8.67 C ATOM 492 C GLN A 31 -6.582 -5.065 -7.995 1.00 10.90 C ATOM 493 O GLN A 31 -7.628 -5.644 -8.206 1.00 9.63 O ATOM 494 CB GLN A 31 -6.676 -2.583 -8.186 1.00 9.12 C ATOM 495 CG GLN A 31 -8.114 -2.428 -8.741 1.00 10.76 C ATOM 496 CD GLN A 31 -8.319 -1.289 -9.664 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.440 -0.470 -10.042 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.561 -1.027 -10.096 1.00 14.76 N ATOM 0 H GLN A 31 -4.678 -3.080 -6.602 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.365 -3.740 -6.486 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.389 -1.666 -7.671 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.982 -2.713 -9.016 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.386 -3.347 -9.259 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.800 -2.321 -7.901 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.332 -1.642 -9.835 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.735 -0.213 -10.686 1.00 14.76 H new ATOM 507 N ASP A 32 -5.396 -5.498 -8.533 1.00 10.93 N ATOM 508 CA ASP A 32 -5.340 -6.775 -9.198 1.00 14.01 C ATOM 509 C ASP A 32 -5.571 -7.963 -8.208 1.00 14.04 C ATOM 510 O ASP A 32 -6.279 -8.924 -8.535 1.00 13.39 O ATOM 511 CB ASP A 32 -3.985 -6.913 -9.872 1.00 18.01 C ATOM 512 CG ASP A 32 -4.098 -8.029 -10.900 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.895 -7.945 -11.884 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.366 -9.047 -10.740 1.00 26.29 O ATOM 0 H ASP A 32 -4.517 -4.981 -8.505 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.140 -6.815 -9.937 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.698 -5.977 -10.352 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.213 -7.144 -9.138 1.00 18.01 H new ATOM 519 N LYS A 33 -5.063 -8.005 -6.965 1.00 14.22 N ATOM 520 CA LYS A 33 -5.406 -9.177 -6.142 1.00 14.00 C ATOM 521 C LYS A 33 -6.873 -9.176 -5.696 1.00 12.37 C ATOM 522 O LYS A 33 -7.617 -10.139 -5.856 1.00 12.17 O ATOM 523 CB LYS A 33 -4.476 -9.339 -4.907 1.00 18.62 C ATOM 524 CG LYS A 33 -3.054 -9.559 -5.387 1.00 24.00 C ATOM 525 CD LYS A 33 -2.761 -10.936 -5.777 1.00 27.61 C ATOM 526 CE LYS A 33 -1.339 -11.049 -6.368 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.139 -12.410 -6.997 1.00 30.06 N ATOM 0 H LYS A 33 -4.461 -7.303 -6.533 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.250 -10.036 -6.795 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.528 -8.451 -4.277 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.802 -10.182 -4.297 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.864 -8.904 -6.237 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.365 -9.263 -4.596 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.853 -11.591 -4.911 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.492 -11.274 -6.511 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.185 -10.270 -7.114 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.598 -10.891 -5.584 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.178 -12.473 -7.391 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.266 -13.148 -6.275 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.835 -12.546 -7.758 1.00 30.06 H new ATOM 541 N GLU A 34 -7.337 -8.128 -5.081 1.00 10.11 N ATOM 542 CA GLU A 34 -8.635 -7.981 -4.301 1.00 10.07 C ATOM 543 C GLU A 34 -9.635 -6.936 -4.816 1.00 9.32 C ATOM 544 O GLU A 34 -10.689 -6.648 -4.228 1.00 11.61 O ATOM 545 CB GLU A 34 -8.251 -7.443 -2.840 1.00 14.77 C ATOM 546 CG GLU A 34 -7.147 -8.176 -2.074 1.00 18.75 C ATOM 547 CD GLU A 34 -7.600 -9.440 -1.387 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.179 -9.399 -0.270 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.407 -10.568 -1.910 1.00 25.19 O ATOM 0 H GLU A 34 -6.810 -7.255 -5.083 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.106 -8.962 -4.368 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.955 -6.398 -2.936 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.153 -7.464 -2.228 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.342 -8.422 -2.767 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.729 -7.501 -1.327 1.00 18.75 H new ATOM 556 N GLY A 35 -9.301 -6.340 -6.022 1.00 7.22 N ATOM 557 CA GLY A 35 -10.257 -5.593 -6.726 1.00 6.29 C ATOM 558 C GLY A 35 -10.562 -4.165 -6.244 1.00 6.93 C ATOM 559 O GLY A 35 -11.324 -3.466 -6.916 1.00 7.41 O ATOM 0 H GLY A 35 -8.384 -6.397 -6.464 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.933 -5.532 -7.765 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.191 -6.154 -6.716 1.00 6.29 H new ATOM 563 N ILE A 36 -10.011 -3.650 -5.103 1.00 5.86 N ATOM 564 CA ILE A 36 -10.319 -2.430 -4.498 1.00 6.07 C ATOM 565 C ILE A 36 -9.832 -1.298 -5.340 1.00 6.36 C ATOM 566 O ILE A 36 -8.650 -1.305 -5.690 1.00 6.18 O ATOM 567 CB ILE A 36 -9.854 -2.320 -3.135 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.102 -3.693 -2.494 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.577 -1.200 -2.374 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.547 -3.870 -1.084 1.00 9.49 C ATOM 0 H ILE A 36 -9.292 -4.158 -4.588 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.406 -2.381 -4.431 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.798 -2.054 -3.101 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.177 -3.873 -2.468 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.666 -4.458 -3.136 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.198 -1.150 -1.353 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.400 -0.248 -2.873 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.647 -1.406 -2.354 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.777 -4.873 -0.726 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.466 -3.729 -1.098 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.001 -3.135 -0.419 1.00 9.49 H new ATOM 582 N PRO A 37 -10.603 -0.243 -5.684 1.00 8.65 N ATOM 583 CA PRO A 37 -10.051 0.934 -6.347 1.00 9.18 C ATOM 584 C PRO A 37 -8.891 1.669 -5.620 1.00 9.85 C ATOM 585 O PRO A 37 -9.083 1.813 -4.417 1.00 8.51 O ATOM 586 CB PRO A 37 -11.255 1.846 -6.536 1.00 11.42 C ATOM 587 CG PRO A 37 -12.533 1.009 -6.399 1.00 9.27 C ATOM 588 CD PRO A 37 -12.074 -0.220 -5.649 1.00 8.33 C ATOM 0 HA PRO A 37 -9.562 0.626 -7.271 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.245 2.644 -5.794 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.218 2.322 -7.516 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.308 1.547 -5.852 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.950 0.752 -7.373 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.432 -0.195 -4.620 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.481 -1.122 -6.107 1.00 8.33 H new ATOM 596 N PRO A 38 -7.753 2.059 -6.267 1.00 8.71 N ATOM 597 CA PRO A 38 -6.622 2.668 -5.609 1.00 9.08 C ATOM 598 C PRO A 38 -7.003 3.939 -4.893 1.00 9.28 C ATOM 599 O PRO A 38 -6.434 4.191 -3.834 1.00 6.50 O ATOM 600 CB PRO A 38 -5.609 2.924 -6.698 1.00 10.31 C ATOM 601 CG PRO A 38 -5.808 1.791 -7.616 1.00 10.81 C ATOM 602 CD PRO A 38 -7.328 1.452 -7.559 1.00 12.00 C ATOM 0 HA PRO A 38 -6.219 2.016 -4.834 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.783 3.879 -7.194 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.593 2.950 -6.305 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.505 2.053 -8.630 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.206 0.934 -7.314 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.869 1.878 -8.404 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.504 0.376 -7.578 1.00 12.00 H new ATOM 610 N ASP A 39 -7.963 4.728 -5.334 1.00 11.20 N ATOM 611 CA ASP A 39 -8.505 5.928 -4.677 1.00 14.96 C ATOM 612 C ASP A 39 -9.147 5.551 -3.389 1.00 13.99 C ATOM 613 O ASP A 39 -9.176 6.415 -2.501 1.00 13.75 O ATOM 614 CB ASP A 39 -9.436 6.666 -5.628 1.00 24.16 C ATOM 615 CG ASP A 39 -9.760 8.093 -5.076 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.807 8.902 -4.893 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.963 8.446 -4.931 1.00 34.22 O ATOM 0 H ASP A 39 -8.426 4.544 -6.224 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.702 6.623 -4.432 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -8.973 6.746 -6.611 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.359 6.100 -5.756 1.00 24.16 H new ATOM 622 N GLN A 40 -9.730 4.325 -3.264 1.00 11.60 N ATOM 623 CA GLN A 40 -10.184 3.852 -1.971 1.00 10.76 C ATOM 624 C GLN A 40 -9.105 3.224 -1.094 1.00 8.01 C ATOM 625 O GLN A 40 -9.393 3.026 0.075 1.00 8.96 O ATOM 626 CB GLN A 40 -11.356 2.764 -2.148 1.00 11.14 C ATOM 627 CG GLN A 40 -12.600 3.343 -2.785 1.00 14.85 C ATOM 628 CD GLN A 40 -13.736 2.333 -2.579 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.156 1.705 -3.545 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.195 2.155 -1.330 1.00 18.16 N ATOM 0 H GLN A 40 -9.884 3.677 -4.037 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.530 4.754 -1.465 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.991 1.939 -2.759 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.612 2.350 -1.173 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.852 4.302 -2.332 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.437 3.526 -3.847 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.810 2.705 -0.562 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.929 1.470 -1.149 1.00 18.16 H new ATOM 639 N GLN A 41 -8.009 2.855 -1.630 1.00 6.52 N ATOM 640 CA GLN A 41 -6.981 2.277 -0.822 1.00 3.87 C ATOM 641 C GLN A 41 -6.128 3.342 -0.151 1.00 4.79 C ATOM 642 O GLN A 41 -5.502 4.186 -0.788 1.00 6.34 O ATOM 643 CB GLN A 41 -6.122 1.381 -1.699 1.00 4.20 C ATOM 644 CG GLN A 41 -6.844 0.069 -2.100 1.00 3.20 C ATOM 645 CD GLN A 41 -5.789 -0.691 -2.902 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.639 -0.874 -2.548 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.213 -1.107 -4.121 1.00 7.13 N ATOM 0 H GLN A 41 -7.788 2.937 -2.622 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.443 1.692 -0.026 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.838 1.925 -2.600 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.200 1.137 -1.170 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.166 -0.495 -1.225 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.735 0.268 -2.696 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.179 -0.948 -4.407 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.566 -1.579 -4.752 1.00 7.13 H new ATOM 656 N ARG A 42 -6.014 3.346 1.162 1.00 5.73 N ATOM 657 CA ARG A 42 -5.290 4.244 2.030 1.00 6.97 C ATOM 658 C ARG A 42 -4.359 3.454 2.932 1.00 7.15 C ATOM 659 O ARG A 42 -4.702 2.500 3.639 1.00 7.33 O ATOM 660 CB ARG A 42 -6.316 4.971 2.937 1.00 13.23 C ATOM 661 CG ARG A 42 -5.609 5.982 3.882 1.00 21.27 C ATOM 662 CD ARG A 42 -6.650 6.817 4.612 1.00 26.14 C ATOM 663 NE ARG A 42 -7.038 7.850 3.644 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.073 8.674 3.739 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.016 8.560 4.653 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.288 9.613 2.788 1.00 36.39 N ATOM 0 H ARG A 42 -6.488 2.628 1.710 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.716 4.947 1.427 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.045 5.495 2.319 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.866 4.239 3.528 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.987 5.449 4.601 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.947 6.630 3.307 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.506 6.212 4.911 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.239 7.258 5.520 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.452 7.944 2.814 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.973 7.806 5.338 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.788 9.226 4.675 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.653 9.689 1.994 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.085 10.244 2.866 1.00 36.39 H new ATOM 680 N LEU A 43 -3.097 3.720 2.875 1.00 4.65 N ATOM 681 CA LEU A 43 -2.089 2.848 3.495 1.00 3.51 C ATOM 682 C LEU A 43 -1.364 3.573 4.618 1.00 5.56 C ATOM 683 O LEU A 43 -0.939 4.689 4.476 1.00 4.19 O ATOM 684 CB LEU A 43 -0.922 2.373 2.461 1.00 3.74 C ATOM 685 CG LEU A 43 -1.526 1.440 1.330 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.580 1.444 0.120 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.679 -0.020 1.808 1.00 6.41 C ATOM 0 H LEU A 43 -2.711 4.539 2.405 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.652 1.984 3.848 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.453 3.246 2.008 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.143 1.838 3.004 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.511 1.829 1.072 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.988 0.805 -0.663 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.478 2.461 -0.259 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.398 1.069 0.422 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.096 -0.625 1.003 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.703 -0.415 2.090 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.346 -0.053 2.669 1.00 6.41 H new ATOM 699 N ILE A 44 -1.132 2.879 5.750 1.00 4.58 N ATOM 700 CA ILE A 44 -0.377 3.438 6.882 1.00 5.55 C ATOM 701 C ILE A 44 0.885 2.591 7.095 1.00 5.46 C ATOM 702 O ILE A 44 0.842 1.365 7.330 1.00 6.04 O ATOM 703 CB ILE A 44 -1.156 3.287 8.232 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.605 3.807 8.139 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.352 3.842 9.409 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.875 5.216 7.723 1.00 13.90 C ATOM 0 H ILE A 44 -1.460 1.925 5.902 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.185 4.485 6.646 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.268 2.222 8.436 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.137 3.158 7.443 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.062 3.667 9.119 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.923 3.720 10.329 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.591 3.301 9.493 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.150 4.900 9.245 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.950 5.394 7.717 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.398 5.900 8.425 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.474 5.383 6.723 1.00 13.90 H new ATOM 718 N PHE A 45 2.051 3.262 7.157 1.00 6.75 N ATOM 719 CA PHE A 45 3.318 2.669 7.565 1.00 4.70 C ATOM 720 C PHE A 45 4.061 3.691 8.351 1.00 6.34 C ATOM 721 O PHE A 45 4.072 4.866 7.992 1.00 5.45 O ATOM 722 CB PHE A 45 4.118 2.267 6.279 1.00 5.51 C ATOM 723 CG PHE A 45 5.552 1.734 6.579 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.610 2.644 6.682 1.00 5.87 C ATOM 725 CD2 PHE A 45 5.769 0.345 6.643 1.00 6.86 C ATOM 726 CE1 PHE A 45 7.962 2.144 6.952 1.00 6.64 C ATOM 727 CE2 PHE A 45 7.031 -0.124 6.951 1.00 6.68 C ATOM 728 CZ PHE A 45 8.136 0.777 7.192 1.00 6.84 C ATOM 0 H PHE A 45 2.129 4.251 6.918 1.00 6.75 H new ATOM 0 HA PHE A 45 3.169 1.778 8.174 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.561 1.502 5.738 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.191 3.133 5.621 1.00 5.51 H new ATOM 0 HD1 PHE A 45 6.433 3.703 6.564 1.00 5.87 H new ATOM 0 HD2 PHE A 45 4.960 -0.345 6.454 1.00 6.86 H new ATOM 0 HE1 PHE A 45 8.806 2.818 6.965 1.00 6.64 H new ATOM 0 HE2 PHE A 45 7.197 -1.189 7.013 1.00 6.68 H new ATOM 0 HZ PHE A 45 9.082 0.400 7.552 1.00 6.84 H new ATOM 738 N ALA A 46 4.639 3.263 9.487 1.00 6.53 N ATOM 739 CA ALA A 46 5.433 4.059 10.372 1.00 7.15 C ATOM 740 C ALA A 46 4.627 5.179 11.085 1.00 9.00 C ATOM 741 O ALA A 46 5.091 6.220 11.529 1.00 11.15 O ATOM 742 CB ALA A 46 6.780 4.562 9.879 1.00 8.99 C ATOM 0 H ALA A 46 4.546 2.299 9.808 1.00 6.53 H new ATOM 0 HA ALA A 46 5.718 3.306 11.107 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.259 5.148 10.663 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.414 3.713 9.623 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.635 5.186 8.997 1.00 8.99 H new ATOM 748 N GLY A 47 3.320 4.839 11.303 1.00 9.35 N ATOM 749 CA GLY A 47 2.294 5.568 11.960 1.00 11.68 C ATOM 750 C GLY A 47 1.773 6.725 11.136 1.00 11.14 C ATOM 751 O GLY A 47 1.072 7.598 11.654 1.00 13.93 O ATOM 0 H GLY A 47 2.966 3.942 10.969 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.469 4.895 12.193 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.675 5.947 12.909 1.00 11.68 H new ATOM 755 N LYS A 48 2.190 6.859 9.893 1.00 10.47 N ATOM 756 CA LYS A 48 1.865 7.943 9.056 1.00 8.82 C ATOM 757 C LYS A 48 1.114 7.482 7.816 1.00 7.68 C ATOM 758 O LYS A 48 1.186 6.314 7.455 1.00 6.47 O ATOM 759 CB LYS A 48 3.122 8.759 8.700 1.00 9.74 C ATOM 760 CG LYS A 48 4.210 8.155 7.744 1.00 14.14 C ATOM 761 CD LYS A 48 5.452 9.180 7.658 1.00 16.32 C ATOM 762 CE LYS A 48 6.671 8.652 6.902 1.00 20.04 C ATOM 763 NZ LYS A 48 7.652 9.716 6.789 1.00 23.92 N ATOM 0 H LYS A 48 2.791 6.171 9.440 1.00 10.47 H new ATOM 0 HA LYS A 48 1.193 8.603 9.605 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.784 9.695 8.255 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.619 9.012 9.636 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.545 7.187 8.117 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.790 7.987 6.752 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.114 10.098 7.177 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.757 9.444 8.671 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.100 7.799 7.427 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.378 8.303 5.912 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.486 9.366 6.276 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.237 10.517 6.271 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.936 10.028 7.739 1.00 23.92 H new ATOM 777 N GLN A 49 0.300 8.347 7.124 1.00 8.89 N ATOM 778 CA GLN A 49 -0.457 8.024 5.914 1.00 7.18 C ATOM 779 C GLN A 49 0.296 8.200 4.603 1.00 8.23 C ATOM 780 O GLN A 49 0.630 9.343 4.284 1.00 9.70 O ATOM 781 CB GLN A 49 -1.809 8.773 5.958 1.00 11.67 C ATOM 782 CG GLN A 49 -2.684 8.434 4.764 1.00 15.82 C ATOM 783 CD GLN A 49 -3.906 9.261 4.753 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.500 9.663 5.757 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.396 9.549 3.518 1.00 20.67 N ATOM 0 H GLN A 49 0.165 9.313 7.422 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.637 6.949 5.922 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.335 8.518 6.878 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.628 9.848 5.982 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.125 8.593 3.842 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.955 7.379 4.795 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.908 9.218 2.686 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.252 10.096 3.424 1.00 20.67 H new ATOM 794 N LEU A 50 0.531 7.131 3.804 1.00 6.51 N ATOM 795 CA LEU A 50 1.191 7.152 2.530 1.00 7.41 C ATOM 796 C LEU A 50 0.578 7.973 1.392 1.00 8.27 C ATOM 797 O LEU A 50 -0.671 7.990 1.302 1.00 8.34 O ATOM 798 CB LEU A 50 1.667 5.675 2.106 1.00 7.13 C ATOM 799 CG LEU A 50 2.384 4.972 3.321 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.936 3.621 2.774 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.557 5.713 4.085 1.00 9.11 C ATOM 0 H LEU A 50 0.238 6.191 4.071 1.00 6.51 H new ATOM 0 HA LEU A 50 2.070 7.770 2.715 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.808 5.084 1.788 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.346 5.733 1.256 1.00 7.13 H new ATOM 0 HG LEU A 50 1.614 4.915 4.090 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.446 3.086 3.575 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.110 3.015 2.401 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.638 3.816 1.963 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.927 5.077 4.889 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.368 5.926 3.388 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.185 6.648 4.504 1.00 9.11 H new ATOM 813 N GLU A 51 1.388 8.572 0.500 1.00 9.43 N ATOM 814 CA GLU A 51 0.921 9.305 -0.676 1.00 11.90 C ATOM 815 C GLU A 51 1.392 8.589 -1.968 1.00 11.49 C ATOM 816 O GLU A 51 2.424 7.935 -2.057 1.00 9.88 O ATOM 817 CB GLU A 51 1.369 10.800 -0.687 1.00 16.56 C ATOM 818 CG GLU A 51 0.960 11.530 0.592 1.00 26.06 C ATOM 819 CD GLU A 51 -0.452 12.075 0.497 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.738 13.083 -0.202 1.00 32.13 O ATOM 821 OE2 GLU A 51 -1.294 11.727 1.356 1.00 33.44 O ATOM 0 H GLU A 51 2.404 8.556 0.584 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.168 9.311 -0.633 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.451 10.853 -0.804 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.930 11.304 -1.548 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.031 10.848 1.439 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.654 12.348 0.782 1.00 26.06 H new ATOM 828 N ASP A 52 0.592 8.734 -3.023 1.00 12.71 N ATOM 829 CA ASP A 52 0.586 8.031 -4.285 1.00 16.56 C ATOM 830 C ASP A 52 1.799 8.167 -5.132 1.00 15.83 C ATOM 831 O ASP A 52 2.357 7.196 -5.628 1.00 17.21 O ATOM 832 CB ASP A 52 -0.689 8.475 -5.095 1.00 21.05 C ATOM 833 CG ASP A 52 -2.046 8.164 -4.395 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.301 8.582 -3.261 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.865 7.519 -5.076 1.00 28.37 O ATOM 0 H ASP A 52 -0.151 9.432 -3.000 1.00 12.71 H new ATOM 0 HA ASP A 52 0.573 6.972 -4.025 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.629 9.547 -5.281 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.675 7.981 -6.067 1.00 21.05 H new ATOM 840 N GLY A 53 2.339 9.408 -5.273 1.00 15.00 N ATOM 841 CA GLY A 53 3.489 9.640 -6.115 1.00 11.77 C ATOM 842 C GLY A 53 4.797 9.359 -5.442 1.00 11.10 C ATOM 843 O GLY A 53 5.788 9.405 -6.058 1.00 11.25 O ATOM 0 H GLY A 53 1.981 10.242 -4.807 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.408 9.016 -7.005 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.479 10.677 -6.450 1.00 11.77 H new ATOM 847 N ARG A 54 4.745 8.993 -4.188 1.00 8.53 N ATOM 848 CA ARG A 54 5.978 8.687 -3.522 1.00 9.05 C ATOM 849 C ARG A 54 6.469 7.250 -3.878 1.00 8.96 C ATOM 850 O ARG A 54 5.690 6.385 -4.284 1.00 11.60 O ATOM 851 CB ARG A 54 5.925 8.957 -2.053 1.00 7.97 C ATOM 852 CG ARG A 54 5.471 10.387 -1.668 1.00 9.62 C ATOM 853 CD ARG A 54 6.427 11.440 -2.159 1.00 12.20 C ATOM 854 NE ARG A 54 5.733 12.789 -2.015 1.00 18.23 N ATOM 855 CZ ARG A 54 6.363 13.934 -1.779 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.625 14.003 -1.466 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.730 15.118 -1.886 1.00 23.38 N ATOM 0 H ARG A 54 3.898 8.902 -3.628 1.00 8.53 H new ATOM 0 HA ARG A 54 6.734 9.374 -3.901 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.247 8.240 -1.591 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.914 8.779 -1.630 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.481 10.576 -2.083 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.381 10.458 -0.584 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.350 11.420 -1.580 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.698 11.257 -3.199 1.00 12.20 H new ATOM 0 HE ARG A 54 4.717 12.814 -2.106 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.179 13.150 -1.392 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.059 14.910 -1.295 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.746 15.148 -2.153 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.235 15.985 -1.700 1.00 23.38 H new ATOM 871 N THR A 55 7.795 7.012 -3.707 1.00 9.05 N ATOM 872 CA THR A 55 8.277 5.668 -3.810 1.00 9.03 C ATOM 873 C THR A 55 8.216 4.936 -2.511 1.00 8.15 C ATOM 874 O THR A 55 7.973 5.557 -1.489 1.00 5.91 O ATOM 875 CB THR A 55 9.686 5.580 -4.308 1.00 11.15 C ATOM 876 OG1 THR A 55 10.639 6.019 -3.355 1.00 11.95 O ATOM 877 CG2 THR A 55 9.992 6.333 -5.593 1.00 11.71 C ATOM 0 H THR A 55 8.501 7.721 -3.506 1.00 9.05 H new ATOM 0 HA THR A 55 7.607 5.205 -4.535 1.00 9.03 H new ATOM 0 HB THR A 55 9.770 4.511 -4.506 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.396 6.914 -3.038 1.00 11.95 H new ATOM 0 HG21 THR A 55 11.041 6.196 -5.854 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.365 5.950 -6.398 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.790 7.394 -5.450 1.00 11.71 H new ATOM 885 N LEU A 56 8.454 3.612 -2.565 1.00 6.91 N ATOM 886 CA LEU A 56 8.616 2.863 -1.341 1.00 8.29 C ATOM 887 C LEU A 56 9.861 3.287 -0.550 1.00 8.05 C ATOM 888 O LEU A 56 9.817 3.350 0.671 1.00 10.17 O ATOM 889 CB LEU A 56 8.729 1.343 -1.504 1.00 6.60 C ATOM 890 CG LEU A 56 7.490 0.631 -1.979 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.683 -0.847 -2.061 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.247 1.024 -1.141 1.00 8.64 C ATOM 0 H LEU A 56 8.534 3.067 -3.424 1.00 6.91 H new ATOM 0 HA LEU A 56 7.690 3.099 -0.816 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.535 1.133 -2.207 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.023 0.917 -0.545 1.00 6.60 H new ATOM 0 HG LEU A 56 7.299 0.966 -2.998 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.762 -1.315 -2.408 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.489 -1.070 -2.760 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.939 -1.236 -1.075 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.373 0.490 -1.514 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.414 0.761 -0.096 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.078 2.098 -1.222 1.00 8.64 H new ATOM 904 N SER A 57 11.053 3.505 -1.174 1.00 8.92 N ATOM 905 CA SER A 57 12.249 3.850 -0.355 1.00 9.00 C ATOM 906 C SER A 57 12.241 5.166 0.303 1.00 9.44 C ATOM 907 O SER A 57 13.064 5.351 1.199 1.00 10.91 O ATOM 908 CB SER A 57 13.560 3.747 -1.303 1.00 10.32 C ATOM 909 OG SER A 57 13.548 4.690 -2.397 1.00 13.59 O ATOM 0 H SER A 57 11.208 3.453 -2.181 1.00 8.92 H new ATOM 0 HA SER A 57 12.248 3.134 0.466 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.451 3.914 -0.698 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.631 2.736 -1.704 1.00 10.32 H new ATOM 0 HG SER A 57 12.622 4.928 -2.614 1.00 13.59 H new ATOM 915 N ASP A 58 11.392 6.124 -0.098 1.00 9.11 N ATOM 916 CA ASP A 58 11.241 7.442 0.556 1.00 7.91 C ATOM 917 C ASP A 58 10.826 7.262 2.017 1.00 9.12 C ATOM 918 O ASP A 58 11.219 8.042 2.890 1.00 8.61 O ATOM 919 CB ASP A 58 10.092 8.296 -0.077 1.00 8.41 C ATOM 920 CG ASP A 58 10.510 8.834 -1.424 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.388 9.761 -1.490 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.920 8.457 -2.470 1.00 11.70 O ATOM 0 H ASP A 58 10.776 6.006 -0.903 1.00 9.11 H new ATOM 0 HA ASP A 58 12.205 7.937 0.440 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.195 7.686 -0.185 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.837 9.122 0.587 1.00 8.41 H new ATOM 927 N TYR A 59 10.024 6.272 2.297 1.00 7.97 N ATOM 928 CA TYR A 59 9.397 5.961 3.559 1.00 8.45 C ATOM 929 C TYR A 59 10.228 4.958 4.387 1.00 10.98 C ATOM 930 O TYR A 59 9.842 4.599 5.525 1.00 12.95 O ATOM 931 CB TYR A 59 7.947 5.397 3.322 1.00 7.94 C ATOM 932 CG TYR A 59 7.072 6.338 2.663 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.845 7.564 3.256 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.325 6.057 1.483 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.993 8.550 2.778 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.358 6.941 0.998 1.00 6.52 C ATOM 937 CZ TYR A 59 5.208 8.189 1.647 1.00 6.76 C ATOM 938 OH TYR A 59 4.174 9.034 1.185 1.00 7.63 O ATOM 0 H TYR A 59 9.766 5.595 1.579 1.00 7.97 H new ATOM 0 HA TYR A 59 9.337 6.887 4.130 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.011 4.489 2.723 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.512 5.116 4.281 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.377 7.774 4.172 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.511 5.137 0.949 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.930 9.527 3.234 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.742 6.679 0.151 1.00 6.52 H new ATOM 0 HH TYR A 59 4.399 9.966 1.386 1.00 7.63 H new ATOM 948 N ASN A 60 11.360 4.573 3.848 1.00 12.38 N ATOM 949 CA ASN A 60 12.191 3.450 4.335 1.00 13.94 C ATOM 950 C ASN A 60 11.443 2.168 4.366 1.00 14.16 C ATOM 951 O ASN A 60 11.607 1.415 5.316 1.00 14.26 O ATOM 952 CB ASN A 60 12.852 3.793 5.697 1.00 19.23 C ATOM 953 CG ASN A 60 14.022 4.782 5.477 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.798 5.921 5.055 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.222 4.403 5.907 1.00 24.09 N ATOM 0 H ASN A 60 11.759 5.035 3.031 1.00 12.38 H new ATOM 0 HA ASN A 60 12.998 3.303 3.617 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.115 4.231 6.369 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.217 2.883 6.174 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.000 5.063 5.896 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.365 3.452 6.248 1.00 24.09 H new ATOM 962 N ILE A 61 10.805 1.788 3.256 1.00 11.08 N ATOM 963 CA ILE A 61 10.248 0.426 3.151 1.00 11.78 C ATOM 964 C ILE A 61 11.280 -0.391 2.348 1.00 13.74 C ATOM 965 O ILE A 61 12.032 0.131 1.538 1.00 14.60 O ATOM 966 CB ILE A 61 8.916 0.509 2.456 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.883 1.196 3.390 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.420 -0.813 1.806 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.619 1.575 2.617 1.00 11.42 C ATOM 0 H ILE A 61 10.661 2.379 2.437 1.00 11.08 H new ATOM 0 HA ILE A 61 10.077 -0.049 4.117 1.00 11.78 H new ATOM 0 HB ILE A 61 9.051 1.140 1.577 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.626 0.526 4.210 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.324 2.088 3.834 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.453 -0.645 1.332 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.139 -1.142 1.056 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.320 -1.581 2.573 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.910 2.055 3.292 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.877 2.264 1.813 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.168 0.677 2.195 1.00 11.42 H new ATOM 981 N GLN A 62 11.347 -1.708 2.694 1.00 13.97 N ATOM 982 CA GLN A 62 12.420 -2.584 2.259 1.00 15.52 C ATOM 983 C GLN A 62 11.703 -3.908 2.176 1.00 13.94 C ATOM 984 O GLN A 62 10.564 -4.066 2.669 1.00 12.15 O ATOM 985 CB GLN A 62 13.657 -2.376 3.213 1.00 19.53 C ATOM 986 CG GLN A 62 13.336 -2.438 4.733 1.00 26.38 C ATOM 987 CD GLN A 62 14.576 -2.123 5.604 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.645 -1.145 6.366 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.523 -3.066 5.529 1.00 32.71 N ATOM 0 H GLN A 62 10.651 -2.169 3.280 1.00 13.97 H new ATOM 0 HA GLN A 62 12.906 -2.423 1.297 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.404 -3.136 2.984 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.108 -1.409 2.992 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.542 -1.729 4.964 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.960 -3.430 4.983 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.414 -3.849 4.884 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.354 -3.002 6.117 1.00 32.71 H new ATOM 998 N LYS A 63 12.406 -4.999 1.696 1.00 11.73 N ATOM 999 CA LYS A 63 11.887 -6.392 1.788 1.00 11.97 C ATOM 1000 C LYS A 63 11.602 -6.969 3.159 1.00 10.41 C ATOM 1001 O LYS A 63 12.338 -6.783 4.125 1.00 9.59 O ATOM 1002 CB LYS A 63 12.871 -7.271 0.993 1.00 13.73 C ATOM 1003 CG LYS A 63 14.095 -7.707 1.812 1.00 16.98 C ATOM 1004 CD LYS A 63 15.100 -8.508 1.011 1.00 20.19 C ATOM 1005 CE LYS A 63 16.511 -8.327 1.509 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.762 -8.920 2.813 1.00 25.97 N ATOM 0 H LYS A 63 13.320 -4.927 1.250 1.00 11.73 H new ATOM 0 HA LYS A 63 10.879 -6.371 1.375 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.348 -8.158 0.635 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.208 -6.723 0.113 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.586 -6.822 2.216 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.761 -8.303 2.662 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.835 -9.564 1.055 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.046 -8.209 -0.036 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.199 -8.763 0.785 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.734 -7.261 1.558 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.752 -8.753 3.085 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.131 -8.488 3.518 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.583 -9.943 2.769 1.00 25.97 H new ATOM 1020 N GLU A 64 10.503 -7.761 3.178 1.00 10.04 N ATOM 1021 CA GLU A 64 9.863 -8.384 4.292 1.00 10.94 C ATOM 1022 C GLU A 64 9.156 -7.419 5.197 1.00 9.74 C ATOM 1023 O GLU A 64 8.586 -7.776 6.191 1.00 9.42 O ATOM 1024 CB GLU A 64 10.689 -9.429 5.104 1.00 18.31 C ATOM 1025 CG GLU A 64 11.412 -10.517 4.280 1.00 24.16 C ATOM 1026 CD GLU A 64 12.175 -11.531 5.043 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.562 -12.144 5.911 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.382 -11.774 4.750 1.00 32.61 O ATOM 0 H GLU A 64 10.017 -7.983 2.309 1.00 10.04 H new ATOM 0 HA GLU A 64 9.114 -8.990 3.783 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.434 -8.894 5.693 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.019 -9.922 5.809 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.669 -11.035 3.674 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.097 -10.023 3.591 1.00 24.16 H new ATOM 1035 N SER A 65 8.999 -6.111 4.841 1.00 6.85 N ATOM 1036 CA SER A 65 8.220 -5.097 5.547 1.00 6.90 C ATOM 1037 C SER A 65 6.755 -5.398 5.479 1.00 4.72 C ATOM 1038 O SER A 65 6.289 -5.979 4.454 1.00 3.91 O ATOM 1039 CB SER A 65 8.475 -3.703 5.041 1.00 7.28 C ATOM 1040 OG SER A 65 9.852 -3.362 5.273 1.00 10.56 O ATOM 0 H SER A 65 9.445 -5.734 4.005 1.00 6.85 H new ATOM 0 HA SER A 65 8.551 -5.134 6.585 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.247 -3.642 3.977 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.821 -2.994 5.549 1.00 7.28 H new ATOM 0 HG SER A 65 10.395 -3.659 4.513 1.00 10.56 H new ATOM 1046 N THR A 66 6.030 -4.985 6.518 1.00 4.48 N ATOM 1047 CA THR A 66 4.617 -5.121 6.634 1.00 3.80 C ATOM 1048 C THR A 66 4.030 -3.780 6.376 1.00 4.60 C ATOM 1049 O THR A 66 4.548 -2.788 6.921 1.00 5.33 O ATOM 1050 CB THR A 66 4.188 -5.585 8.031 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.861 -6.841 8.369 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.731 -5.822 8.002 1.00 3.40 C ATOM 0 H THR A 66 6.451 -4.529 7.327 1.00 4.48 H new ATOM 0 HA THR A 66 4.273 -5.873 5.924 1.00 3.80 H new ATOM 0 HB THR A 66 4.450 -4.829 8.771 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.584 -7.130 9.263 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.397 -6.154 8.985 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.217 -4.898 7.737 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.502 -6.589 7.263 1.00 3.40 H new ATOM 1060 N LEU A 67 3.072 -3.646 5.511 1.00 4.17 N ATOM 1061 CA LEU A 67 2.454 -2.363 5.328 1.00 3.85 C ATOM 1062 C LEU A 67 0.964 -2.566 5.723 1.00 3.80 C ATOM 1063 O LEU A 67 0.378 -3.661 5.663 1.00 5.54 O ATOM 1064 CB LEU A 67 2.472 -1.918 3.820 1.00 7.18 C ATOM 1065 CG LEU A 67 3.807 -1.407 3.207 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.924 -2.532 3.183 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.594 -0.991 1.743 1.00 11.66 C ATOM 0 H LEU A 67 2.703 -4.396 4.926 1.00 4.17 H new ATOM 0 HA LEU A 67 2.979 -1.610 5.915 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.137 -2.765 3.222 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.730 -1.129 3.700 1.00 7.18 H new ATOM 0 HG LEU A 67 4.125 -0.572 3.831 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.838 -2.128 2.746 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.125 -2.867 4.201 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.578 -3.375 2.585 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.536 -0.635 1.325 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.243 -1.848 1.169 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.852 -0.194 1.695 1.00 11.66 H new ATOM 1079 N HIS A 68 0.285 -1.471 6.128 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.071 -1.605 6.748 1.00 4.17 C ATOM 1081 C HIS A 68 -2.134 -1.025 5.856 1.00 5.32 C ATOM 1082 O HIS A 68 -2.038 0.078 5.429 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.125 -0.954 8.177 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.043 -1.440 9.030 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.123 -0.775 9.253 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.092 -2.691 9.510 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.927 -1.612 9.893 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.294 -2.807 10.128 1.00 16.30 N ATOM 0 H HIS A 68 0.628 -0.514 6.046 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.268 -2.671 6.865 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.059 0.130 8.086 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.085 -1.177 8.643 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.337 0.184 8.980 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.642 -3.478 9.417 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.941 -1.385 10.189 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.248 -1.763 5.522 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.164 -1.324 4.522 1.00 3.97 C ATOM 1098 C LEU A 69 -5.540 -0.889 5.070 1.00 5.07 C ATOM 1099 O LEU A 69 -6.296 -1.642 5.658 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.395 -2.345 3.411 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.443 -1.927 2.310 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.042 -0.614 1.601 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.562 -3.148 1.365 1.00 9.96 C ATOM 0 H LEU A 69 -3.492 -2.654 5.955 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.661 -0.450 4.109 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.442 -2.546 2.922 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.724 -3.280 3.864 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.418 -1.692 2.737 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.791 -0.362 0.850 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.978 0.190 2.334 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.073 -0.742 1.118 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.277 -2.927 0.573 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.588 -3.364 0.925 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.905 -4.014 1.931 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.850 0.373 4.881 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.083 0.962 5.316 1.00 6.26 C ATOM 1117 C VAL A 70 -7.867 1.299 4.103 1.00 9.22 C ATOM 1118 O VAL A 70 -7.295 1.864 3.155 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.873 2.286 6.087 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.234 2.715 6.674 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.816 2.115 7.223 1.00 8.54 C ATOM 0 H VAL A 70 -5.231 1.031 4.407 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.578 0.249 5.976 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.494 3.051 5.409 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.115 3.648 7.224 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.950 2.860 5.865 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.600 1.940 7.348 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.689 3.062 7.748 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.156 1.354 7.925 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.863 1.810 6.791 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.185 0.947 4.110 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.042 1.336 2.989 1.00 16.06 C ATOM 1133 C LEU A 71 -10.922 2.438 3.374 1.00 18.09 C ATOM 1134 O LEU A 71 -11.510 2.470 4.447 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.977 0.184 2.553 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.174 -1.051 1.986 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -9.089 -0.663 0.962 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.615 -1.976 3.090 1.00 19.57 C ATOM 0 H LEU A 71 -9.646 0.419 4.851 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.368 1.615 2.179 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.579 -0.135 3.404 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.668 0.547 1.792 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.917 -1.632 1.440 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -8.578 -1.561 0.615 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -9.553 -0.159 0.114 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -8.368 0.006 1.432 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.074 -2.804 2.632 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -8.938 -1.411 3.730 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.438 -2.367 3.688 1.00 19.57 H new