USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 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 6 LYS NZ :NH3+ 176:sc= 0.479 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot 150:sc= 0.443 USER MOD Single : A 1 MET CE :methyl 168:sc= -0.0152 (180deg=-0.237) USER MOD Single : A 1 MET N :NH3+ 162:sc= 2.31 (180deg=1.84) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 170:sc= -0.286 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= 1.22 (180deg=1.21) USER MOD Single : A 14 THR OG1 : rot -70:sc= 0.0784 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0374 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= 2.09 (180deg=1.85) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 1.28 (180deg=1.09) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 41 GLN : amide:sc= 0.137 K(o=0.14,f=-2.9!) 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=-0.046) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.188 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.173 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0247 X(o=-0.025,f=-0.22) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 67:sc= 1.22 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.195 X(o=-0.19,f=-0.0024) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.799 -6.626 -4.674 1.00 9.67 N ATOM 2 CA MET A 1 11.858 -7.105 -3.304 1.00 10.38 C ATOM 3 C MET A 1 10.415 -7.344 -2.854 1.00 9.62 C ATOM 4 O MET A 1 9.407 -7.041 -3.508 1.00 9.62 O ATOM 5 CB MET A 1 12.661 -6.010 -2.470 1.00 13.77 C ATOM 6 CG MET A 1 12.156 -4.539 -2.528 1.00 16.29 C ATOM 7 SD MET A 1 10.800 -4.312 -1.377 1.00 17.17 S ATOM 8 CE MET A 1 10.477 -2.609 -1.669 1.00 16.11 C ATOM 0 H1 MET A 1 12.699 -6.167 -4.920 1.00 9.67 H new ATOM 0 H2 MET A 1 11.632 -7.428 -5.315 1.00 9.67 H new ATOM 0 H3 MET A 1 11.023 -5.940 -4.769 1.00 9.67 H new ATOM 0 HA MET A 1 12.384 -8.049 -3.166 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.666 -6.322 -1.425 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.696 -6.022 -2.811 1.00 13.77 H new ATOM 0 HG2 MET A 1 12.970 -3.856 -2.284 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.830 -4.297 -3.540 1.00 16.29 H new ATOM 0 HE1 MET A 1 9.531 -2.333 -1.204 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.280 -2.008 -1.242 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.420 -2.428 -2.742 1.00 16.11 H new ATOM 20 N GLN A 2 10.273 -8.019 -1.680 1.00 9.27 N ATOM 21 CA GLN A 2 9.024 -8.643 -1.160 1.00 9.07 C ATOM 22 C GLN A 2 8.389 -7.744 -0.106 1.00 8.72 C ATOM 23 O GLN A 2 9.032 -7.348 0.850 1.00 8.22 O ATOM 24 CB GLN A 2 9.189 -10.046 -0.670 1.00 14.46 C ATOM 25 CG GLN A 2 7.993 -10.714 0.017 1.00 17.01 C ATOM 26 CD GLN A 2 8.239 -12.245 0.118 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.691 -12.711 1.213 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.036 -13.025 -1.003 1.00 19.49 N ATOM 0 H GLN A 2 11.059 -8.148 -1.043 1.00 9.27 H new ATOM 0 HA GLN A 2 8.349 -8.732 -2.011 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.474 -10.665 -1.521 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.026 -10.059 0.029 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.850 -10.292 1.012 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.081 -10.518 -0.547 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.671 -12.604 -1.858 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.251 -14.022 -0.976 1.00 19.49 H new ATOM 37 N ILE A 3 7.087 -7.398 -0.119 1.00 5.87 N ATOM 38 CA ILE A 3 6.505 -6.695 0.992 1.00 5.07 C ATOM 39 C ILE A 3 5.185 -7.410 1.293 1.00 4.01 C ATOM 40 O ILE A 3 4.755 -8.326 0.588 1.00 4.61 O ATOM 41 CB ILE A 3 6.268 -5.210 0.840 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.506 -5.010 -0.484 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.569 -4.445 0.850 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.038 -3.543 -0.761 1.00 10.83 C ATOM 0 H ILE A 3 6.444 -7.600 -0.884 1.00 5.87 H new ATOM 0 HA ILE A 3 7.237 -6.727 1.799 1.00 5.07 H new ATOM 0 HB ILE A 3 5.685 -4.825 1.677 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.145 -5.333 -1.306 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.632 -5.661 -0.485 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.366 -3.380 0.739 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.086 -4.619 1.794 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.196 -4.783 0.025 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.512 -3.503 -1.715 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.370 -3.218 0.036 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.906 -2.885 -0.798 1.00 10.83 H new ATOM 56 N PHE A 4 4.693 -7.093 2.512 1.00 4.55 N ATOM 57 CA PHE A 4 3.530 -7.669 3.019 1.00 4.68 C ATOM 58 C PHE A 4 2.442 -6.618 3.197 1.00 5.30 C ATOM 59 O PHE A 4 2.734 -5.505 3.654 1.00 5.58 O ATOM 60 CB PHE A 4 3.807 -8.379 4.451 1.00 4.83 C ATOM 61 CG PHE A 4 4.701 -9.545 4.366 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.296 -10.683 3.719 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.050 -9.447 4.847 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.241 -11.751 3.586 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.953 -10.544 4.705 1.00 10.61 C ATOM 66 CZ PHE A 4 6.493 -11.711 4.141 1.00 8.90 C ATOM 0 H PHE A 4 5.131 -6.419 3.140 1.00 4.55 H new ATOM 0 HA PHE A 4 3.201 -8.421 2.301 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.241 -7.647 5.132 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.856 -8.691 4.883 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.296 -10.772 3.322 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.385 -8.536 5.320 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.954 -12.627 3.023 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.978 -10.459 5.034 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.117 -12.593 4.136 1.00 8.90 H new ATOM 76 N VAL A 5 1.215 -6.908 2.862 1.00 4.44 N ATOM 77 CA VAL A 5 0.101 -6.009 3.070 1.00 3.87 C ATOM 78 C VAL A 5 -0.916 -6.671 4.016 1.00 4.93 C ATOM 79 O VAL A 5 -1.415 -7.763 3.724 1.00 6.84 O ATOM 80 CB VAL A 5 -0.641 -5.485 1.819 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.700 -4.429 2.205 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.478 -4.837 0.935 1.00 9.13 C ATOM 0 H VAL A 5 0.951 -7.792 2.428 1.00 4.44 H new ATOM 0 HA VAL A 5 0.565 -5.118 3.493 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.175 -6.281 1.300 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.207 -4.077 1.307 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.429 -4.875 2.882 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.213 -3.589 2.699 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.035 -4.438 0.022 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.957 -4.030 1.489 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.221 -5.592 0.678 1.00 9.13 H new ATOM 92 N LYS A 6 -1.236 -6.062 5.153 1.00 6.04 N ATOM 93 CA LYS A 6 -2.212 -6.532 6.101 1.00 6.12 C ATOM 94 C LYS A 6 -3.621 -5.921 5.864 1.00 6.57 C ATOM 95 O LYS A 6 -3.743 -4.689 5.682 1.00 5.76 O ATOM 96 CB LYS A 6 -1.859 -6.169 7.533 1.00 7.45 C ATOM 97 CG LYS A 6 -0.467 -6.735 8.028 1.00 11.12 C ATOM 98 CD LYS A 6 -0.498 -8.194 8.456 1.00 14.54 C ATOM 99 CE LYS A 6 0.925 -8.777 8.714 1.00 18.84 C ATOM 100 NZ LYS A 6 0.847 -10.167 9.151 1.00 20.55 N ATOM 0 H LYS A 6 -0.796 -5.188 5.442 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.216 -7.612 5.953 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.850 -5.083 7.628 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.643 -6.540 8.193 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.264 -6.619 7.228 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.120 -6.131 8.866 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.095 -8.289 9.363 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.993 -8.784 7.685 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.520 -8.711 7.803 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.434 -8.181 9.472 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.807 -10.554 9.251 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.357 -10.216 10.067 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.321 -10.723 8.447 1.00 20.55 H new ATOM 114 N THR A 7 -4.706 -6.675 5.878 1.00 7.41 N ATOM 115 CA THR A 7 -6.027 -6.171 5.640 1.00 7.48 C ATOM 116 C THR A 7 -6.763 -6.120 7.032 1.00 8.75 C ATOM 117 O THR A 7 -6.423 -6.865 7.943 1.00 8.58 O ATOM 118 CB THR A 7 -6.891 -6.846 4.557 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.063 -8.189 4.920 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.124 -6.877 3.275 1.00 9.17 C ATOM 0 H THR A 7 -4.681 -7.678 6.061 1.00 7.41 H new ATOM 0 HA THR A 7 -5.889 -5.188 5.190 1.00 7.48 H new ATOM 0 HB THR A 7 -7.834 -6.310 4.454 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.737 -8.601 4.340 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.727 -7.353 2.502 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.882 -5.859 2.971 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.203 -7.442 3.416 1.00 9.17 H new ATOM 128 N LEU A 8 -7.864 -5.378 7.177 1.00 9.84 N ATOM 129 CA LEU A 8 -8.611 -5.154 8.411 1.00 14.15 C ATOM 130 C LEU A 8 -9.108 -6.418 9.021 1.00 17.37 C ATOM 131 O LEU A 8 -8.944 -6.634 10.209 1.00 17.01 O ATOM 132 CB LEU A 8 -9.816 -4.157 8.237 1.00 16.63 C ATOM 133 CG LEU A 8 -9.448 -2.690 7.839 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.799 -2.026 7.363 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.769 -1.851 8.919 1.00 18.59 C ATOM 0 H LEU A 8 -8.281 -4.889 6.385 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.885 -4.699 9.085 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.487 -4.560 7.478 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.374 -4.128 9.173 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.686 -2.728 7.061 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.613 -0.993 7.069 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.197 -2.580 6.512 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.522 -2.046 8.179 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.562 -0.854 8.529 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.426 -1.772 9.785 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.834 -2.326 9.215 1.00 18.59 H new ATOM 147 N THR A 9 -9.606 -7.337 8.211 1.00 18.33 N ATOM 148 CA THR A 9 -10.078 -8.685 8.626 1.00 19.24 C ATOM 149 C THR A 9 -9.004 -9.735 8.641 1.00 19.48 C ATOM 150 O THR A 9 -9.309 -10.924 8.579 1.00 23.14 O ATOM 151 CB THR A 9 -11.224 -9.128 7.743 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.001 -9.016 6.308 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.427 -8.255 8.122 1.00 19.70 C ATOM 0 H THR A 9 -9.704 -7.178 7.208 1.00 18.33 H new ATOM 0 HA THR A 9 -10.411 -8.581 9.659 1.00 19.24 H new ATOM 0 HB THR A 9 -11.367 -10.194 7.919 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.797 -9.328 5.828 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.286 -8.534 7.512 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.667 -8.403 9.175 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.185 -7.206 7.949 1.00 19.70 H new ATOM 161 N GLY A 10 -7.727 -9.346 8.675 1.00 19.43 N ATOM 162 CA GLY A 10 -6.633 -10.152 9.127 1.00 18.74 C ATOM 163 C GLY A 10 -6.011 -10.969 8.099 1.00 17.62 C ATOM 164 O GLY A 10 -5.170 -11.816 8.398 1.00 19.74 O ATOM 0 H GLY A 10 -7.434 -8.417 8.371 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.875 -9.500 9.561 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.987 -10.805 9.925 1.00 18.74 H new ATOM 168 N LYS A 11 -6.273 -10.717 6.813 1.00 13.56 N ATOM 169 CA LYS A 11 -5.485 -11.363 5.789 1.00 11.91 C ATOM 170 C LYS A 11 -4.120 -10.732 5.685 1.00 10.18 C ATOM 171 O LYS A 11 -3.887 -9.522 5.847 1.00 9.10 O ATOM 172 CB LYS A 11 -6.274 -11.272 4.431 1.00 13.43 C ATOM 173 CG LYS A 11 -5.658 -12.258 3.410 1.00 16.69 C ATOM 174 CD LYS A 11 -6.399 -12.398 2.134 1.00 17.92 C ATOM 175 CE LYS A 11 -5.765 -13.382 1.141 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.596 -13.523 -0.061 1.00 21.93 N ATOM 0 H LYS A 11 -7.003 -10.089 6.475 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.324 -12.411 6.042 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.326 -11.509 4.592 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.232 -10.255 4.041 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.641 -11.935 3.186 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.585 -13.240 3.878 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.416 -12.724 2.352 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.473 -11.419 1.661 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -4.771 -13.033 0.862 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.639 -14.354 1.617 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.060 -14.026 -0.797 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.454 -14.063 0.172 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.864 -12.581 -0.410 1.00 21.93 H new ATOM 190 N THR A 12 -3.138 -11.524 5.220 1.00 9.63 N ATOM 191 CA THR A 12 -1.829 -11.076 4.835 1.00 9.85 C ATOM 192 C THR A 12 -1.678 -11.329 3.331 1.00 11.66 C ATOM 193 O THR A 12 -1.946 -12.442 2.866 1.00 12.33 O ATOM 194 CB THR A 12 -0.626 -11.758 5.580 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.724 -11.568 6.940 1.00 10.91 O ATOM 196 CG2 THR A 12 0.710 -11.085 5.199 1.00 9.63 C ATOM 0 H THR A 12 -3.260 -12.530 5.105 1.00 9.63 H new ATOM 0 HA THR A 12 -1.775 -10.023 5.111 1.00 9.85 H new ATOM 0 HB THR A 12 -0.656 -12.811 5.301 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.316 -12.327 7.407 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.528 -11.575 5.728 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.868 -11.173 4.124 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.679 -10.031 5.476 1.00 9.63 H new ATOM 204 N ILE A 13 -1.180 -10.296 2.565 1.00 10.42 N ATOM 205 CA ILE A 13 -1.016 -10.416 1.113 1.00 11.84 C ATOM 206 C ILE A 13 0.429 -10.096 0.808 1.00 10.55 C ATOM 207 O ILE A 13 0.949 -9.049 1.217 1.00 11.92 O ATOM 208 CB ILE A 13 -1.856 -9.380 0.374 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.346 -9.347 0.796 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.736 -9.720 -1.111 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.979 -7.998 0.429 1.00 16.46 C ATOM 0 H ILE A 13 -0.896 -9.393 2.946 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.318 -11.416 0.801 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.481 -8.386 0.616 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.887 -10.155 0.304 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.430 -9.515 1.870 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.320 -9.009 -1.695 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.690 -9.666 -1.413 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.113 -10.728 -1.285 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.026 -7.993 0.733 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.448 -7.196 0.942 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.913 -7.846 -0.648 1.00 16.46 H new ATOM 223 N THR A 14 1.103 -11.033 0.105 1.00 9.39 N ATOM 224 CA THR A 14 2.504 -10.919 -0.285 1.00 9.63 C ATOM 225 C THR A 14 2.664 -10.434 -1.680 1.00 11.20 C ATOM 226 O THR A 14 2.180 -11.046 -2.667 1.00 11.63 O ATOM 227 CB THR A 14 3.285 -12.297 -0.183 1.00 10.38 C ATOM 228 OG1 THR A 14 3.025 -12.903 1.075 1.00 16.30 O ATOM 229 CG2 THR A 14 4.789 -12.132 -0.329 1.00 11.66 C ATOM 0 H THR A 14 0.670 -11.902 -0.208 1.00 9.39 H new ATOM 0 HA THR A 14 2.922 -10.200 0.419 1.00 9.63 H new ATOM 0 HB THR A 14 2.929 -12.920 -1.004 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.469 -12.391 1.783 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.271 -13.106 -0.251 1.00 11.66 H new ATOM 0 HG22 THR A 14 5.014 -11.692 -1.301 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.162 -11.479 0.460 1.00 11.66 H new ATOM 237 N LEU A 15 3.449 -9.265 -1.777 1.00 8.29 N ATOM 238 CA LEU A 15 3.639 -8.658 -3.083 1.00 9.03 C ATOM 239 C LEU A 15 5.066 -8.829 -3.533 1.00 8.59 C ATOM 240 O LEU A 15 5.975 -9.079 -2.726 1.00 7.79 O ATOM 241 CB LEU A 15 3.346 -7.169 -3.070 1.00 11.08 C ATOM 242 CG LEU A 15 1.938 -6.735 -2.847 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.759 -5.234 -2.988 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.907 -7.472 -3.728 1.00 15.27 C ATOM 0 H LEU A 15 3.907 -8.794 -0.997 1.00 8.29 H new ATOM 0 HA LEU A 15 2.946 -9.158 -3.760 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.962 -6.714 -2.295 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.676 -6.755 -4.023 1.00 11.08 H new ATOM 0 HG LEU A 15 1.736 -7.015 -1.813 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.715 -4.974 -2.815 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.386 -4.723 -2.257 1.00 15.88 H new ATOM 0 HD13 LEU A 15 2.048 -4.926 -3.993 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.093 -7.100 -3.506 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.135 -7.296 -4.779 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.950 -8.541 -3.521 1.00 15.27 H new ATOM 256 N GLU A 16 5.341 -8.579 -4.880 1.00 11.04 N ATOM 257 CA GLU A 16 6.681 -8.408 -5.325 1.00 11.50 C ATOM 258 C GLU A 16 6.608 -7.068 -5.922 1.00 10.13 C ATOM 259 O GLU A 16 5.617 -6.615 -6.484 1.00 9.83 O ATOM 260 CB GLU A 16 7.042 -9.561 -6.294 1.00 17.22 C ATOM 261 CG GLU A 16 8.455 -9.537 -6.848 1.00 23.33 C ATOM 262 CD GLU A 16 9.604 -9.533 -5.852 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.724 -10.504 -5.044 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.484 -8.605 -5.946 1.00 28.90 O ATOM 0 H GLU A 16 4.633 -8.504 -5.610 1.00 11.04 H new ATOM 0 HA GLU A 16 7.471 -8.458 -4.576 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.891 -10.508 -5.775 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.343 -9.541 -7.130 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.576 -10.405 -7.496 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.554 -8.653 -7.478 1.00 23.33 H new ATOM 271 N VAL A 17 7.657 -6.260 -5.568 1.00 8.99 N ATOM 272 CA VAL A 17 7.699 -4.831 -5.956 1.00 8.85 C ATOM 273 C VAL A 17 9.102 -4.374 -6.156 1.00 8.04 C ATOM 274 O VAL A 17 10.057 -4.912 -5.624 1.00 8.99 O ATOM 275 CB VAL A 17 7.055 -3.804 -4.947 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.523 -3.907 -4.757 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.664 -4.001 -3.504 1.00 10.54 C ATOM 0 H VAL A 17 8.462 -6.575 -5.027 1.00 8.99 H new ATOM 0 HA VAL A 17 7.099 -4.823 -6.866 1.00 8.85 H new ATOM 0 HB VAL A 17 7.280 -2.839 -5.402 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.193 -3.153 -4.042 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.026 -3.743 -5.713 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.269 -4.898 -4.382 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.211 -3.286 -2.817 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.461 -5.015 -3.159 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.741 -3.839 -3.538 1.00 10.54 H new ATOM 287 N GLU A 18 9.335 -3.341 -6.958 1.00 7.29 N ATOM 288 CA GLU A 18 10.574 -2.606 -7.103 1.00 7.08 C ATOM 289 C GLU A 18 10.473 -1.475 -6.171 1.00 6.45 C ATOM 290 O GLU A 18 9.413 -0.878 -6.082 1.00 5.28 O ATOM 291 CB GLU A 18 10.835 -2.100 -8.558 1.00 10.28 C ATOM 292 CG GLU A 18 10.919 -3.318 -9.637 1.00 12.65 C ATOM 293 CD GLU A 18 12.284 -4.076 -9.587 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.101 -3.767 -8.714 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.463 -4.967 -10.473 1.00 18.17 O ATOM 0 H GLU A 18 8.604 -2.973 -7.567 1.00 7.29 H new ATOM 0 HA GLU A 18 11.418 -3.259 -6.884 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.039 -1.415 -8.849 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.766 -1.534 -8.581 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.110 -4.023 -9.446 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.766 -2.920 -10.640 1.00 12.65 H new ATOM 302 N PRO A 19 11.485 -1.177 -5.411 1.00 7.24 N ATOM 303 CA PRO A 19 11.512 0.002 -4.506 1.00 7.07 C ATOM 304 C PRO A 19 11.181 1.369 -5.206 1.00 6.65 C ATOM 305 O PRO A 19 10.716 2.248 -4.494 1.00 6.37 O ATOM 306 CB PRO A 19 12.944 -0.023 -3.977 1.00 7.61 C ATOM 307 CG PRO A 19 13.752 -0.680 -5.081 1.00 8.16 C ATOM 308 CD PRO A 19 12.815 -1.813 -5.531 1.00 7.49 C ATOM 0 HA PRO A 19 10.742 -0.064 -3.737 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.306 0.983 -3.767 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.013 -0.587 -3.047 1.00 7.61 H new ATOM 0 HG2 PRO A 19 13.973 0.013 -5.893 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.707 -1.060 -4.717 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.023 -2.134 -6.552 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.905 -2.694 -4.895 1.00 7.49 H new ATOM 316 N SER A 20 11.400 1.490 -6.540 1.00 6.80 N ATOM 317 CA SER A 20 11.141 2.617 -7.366 1.00 6.28 C ATOM 318 C SER A 20 9.687 2.874 -7.701 1.00 8.45 C ATOM 319 O SER A 20 9.300 3.906 -8.294 1.00 7.26 O ATOM 320 CB SER A 20 11.911 2.431 -8.731 1.00 8.57 C ATOM 321 OG SER A 20 11.643 1.117 -9.284 1.00 11.13 O ATOM 0 H SER A 20 11.796 0.718 -7.076 1.00 6.80 H new ATOM 0 HA SER A 20 11.477 3.474 -6.782 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.603 3.201 -9.438 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.982 2.555 -8.572 1.00 8.57 H new ATOM 0 HG SER A 20 12.125 1.014 -10.131 1.00 11.13 H new ATOM 327 N ASP A 21 8.846 1.822 -7.367 1.00 7.50 N ATOM 328 CA ASP A 21 7.391 1.766 -7.630 1.00 7.70 C ATOM 329 C ASP A 21 6.606 2.712 -6.713 1.00 7.08 C ATOM 330 O ASP A 21 6.871 2.729 -5.506 1.00 8.11 O ATOM 331 CB ASP A 21 6.808 0.315 -7.475 1.00 11.00 C ATOM 332 CG ASP A 21 7.258 -0.578 -8.594 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.464 -0.063 -9.695 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.181 -1.845 -8.338 1.00 18.03 O ATOM 0 H ASP A 21 9.191 0.984 -6.899 1.00 7.50 H new ATOM 0 HA ASP A 21 7.272 2.084 -8.666 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.125 -0.106 -6.521 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.719 0.359 -7.458 1.00 11.00 H new ATOM 339 N THR A 22 5.712 3.526 -7.257 1.00 5.37 N ATOM 340 CA THR A 22 4.936 4.454 -6.461 1.00 6.01 C ATOM 341 C THR A 22 3.863 3.765 -5.584 1.00 8.01 C ATOM 342 O THR A 22 3.450 2.611 -5.814 1.00 8.11 O ATOM 343 CB THR A 22 4.389 5.675 -7.192 1.00 8.92 C ATOM 344 OG1 THR A 22 3.600 5.337 -8.261 1.00 10.22 O ATOM 345 CG2 THR A 22 5.547 6.473 -7.812 1.00 9.65 C ATOM 0 H THR A 22 5.508 3.559 -8.256 1.00 5.37 H new ATOM 0 HA THR A 22 5.687 4.869 -5.788 1.00 6.01 H new ATOM 0 HB THR A 22 3.821 6.234 -6.448 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.272 6.152 -8.696 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.150 7.344 -8.333 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.227 6.799 -7.025 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.086 5.842 -8.519 1.00 9.65 H new ATOM 353 N ILE A 23 3.399 4.507 -4.501 1.00 8.32 N ATOM 354 CA ILE A 23 2.327 4.032 -3.636 1.00 9.92 C ATOM 355 C ILE A 23 1.054 3.808 -4.370 1.00 10.01 C ATOM 356 O ILE A 23 0.352 2.753 -4.190 1.00 8.71 O ATOM 357 CB ILE A 23 2.209 4.978 -2.436 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.553 5.249 -1.682 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.108 4.577 -1.429 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.266 3.977 -1.180 1.00 12.30 C ATOM 0 H ILE A 23 3.771 5.421 -4.241 1.00 8.32 H new ATOM 0 HA ILE A 23 2.574 3.041 -3.255 1.00 9.92 H new ATOM 0 HB ILE A 23 1.911 5.916 -2.904 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.226 5.791 -2.347 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.354 5.900 -0.831 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.087 5.294 -0.609 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.141 4.571 -1.931 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.319 3.582 -1.036 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.188 4.254 -0.669 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.614 3.444 -0.488 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.500 3.333 -2.027 1.00 12.30 H new ATOM 372 N GLU A 24 0.680 4.667 -5.364 1.00 9.54 N ATOM 373 CA GLU A 24 -0.365 4.517 -6.326 1.00 11.81 C ATOM 374 C GLU A 24 -0.315 3.195 -7.141 1.00 11.14 C ATOM 375 O GLU A 24 -1.328 2.583 -7.434 1.00 10.62 O ATOM 376 CB GLU A 24 -0.330 5.715 -7.306 1.00 19.24 C ATOM 377 CG GLU A 24 -1.652 5.852 -8.065 1.00 27.76 C ATOM 378 CD GLU A 24 -1.524 7.069 -8.933 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.050 6.955 -10.072 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.927 8.180 -8.501 1.00 36.51 O ATOM 0 H GLU A 24 1.171 5.552 -5.492 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.293 4.484 -5.755 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.128 6.633 -6.754 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.487 5.583 -8.015 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.846 4.965 -8.668 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.487 5.956 -7.373 1.00 27.76 H new ATOM 387 N ASN A 25 0.914 2.808 -7.495 1.00 9.43 N ATOM 388 CA ASN A 25 1.239 1.573 -8.251 1.00 10.96 C ATOM 389 C ASN A 25 0.934 0.317 -7.392 1.00 9.68 C ATOM 390 O ASN A 25 0.432 -0.742 -7.831 1.00 9.33 O ATOM 391 CB ASN A 25 2.726 1.554 -8.603 1.00 16.78 C ATOM 392 CG ASN A 25 2.951 0.551 -9.697 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.422 -0.560 -9.409 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.761 0.870 -10.973 1.00 24.70 N ATOM 0 H ASN A 25 1.742 3.355 -7.261 1.00 9.43 H new ATOM 0 HA ASN A 25 0.633 1.562 -9.157 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.050 2.543 -8.926 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.318 1.295 -7.726 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.002 0.204 -11.707 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.374 1.781 -11.219 1.00 24.70 H new ATOM 401 N VAL A 26 1.270 0.479 -6.125 1.00 6.52 N ATOM 402 CA VAL A 26 1.042 -0.526 -5.068 1.00 5.53 C ATOM 403 C VAL A 26 -0.451 -0.681 -4.939 1.00 4.42 C ATOM 404 O VAL A 26 -0.970 -1.795 -4.856 1.00 3.40 O ATOM 405 CB VAL A 26 1.848 -0.263 -3.758 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.338 -1.077 -2.580 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.328 -0.723 -3.900 1.00 8.12 C ATOM 0 H VAL A 26 1.720 1.327 -5.781 1.00 6.52 H new ATOM 0 HA VAL A 26 1.458 -1.496 -5.340 1.00 5.53 H new ATOM 0 HB VAL A 26 1.742 0.809 -3.591 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.936 -0.853 -1.697 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.296 -0.823 -2.386 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.416 -2.139 -2.811 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.861 -0.526 -2.970 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.358 -1.791 -4.116 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.803 -0.175 -4.714 1.00 8.12 H new ATOM 417 N LYS A 27 -1.218 0.413 -4.867 1.00 2.64 N ATOM 418 CA LYS A 27 -2.645 0.389 -4.795 1.00 4.14 C ATOM 419 C LYS A 27 -3.284 -0.339 -6.019 1.00 5.58 C ATOM 420 O LYS A 27 -4.186 -1.145 -5.962 1.00 4.11 O ATOM 421 CB LYS A 27 -3.294 1.766 -4.593 1.00 3.97 C ATOM 422 CG LYS A 27 -2.846 2.450 -3.344 1.00 7.45 C ATOM 423 CD LYS A 27 -3.516 3.791 -3.032 1.00 9.02 C ATOM 424 CE LYS A 27 -2.942 4.455 -1.737 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.543 5.750 -1.625 1.00 15.47 N ATOM 0 H LYS A 27 -0.831 1.357 -4.858 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.859 -0.185 -3.893 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.062 2.399 -5.449 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.377 1.650 -4.567 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.018 1.777 -2.504 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.770 2.611 -3.408 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.380 4.468 -3.876 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.589 3.640 -2.915 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.169 3.848 -0.860 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.857 4.538 -1.795 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.993 6.332 -0.961 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.556 6.208 -2.558 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.517 5.652 -1.274 1.00 15.47 H new ATOM 439 N ALA A 28 -2.842 -0.148 -7.309 1.00 6.61 N ATOM 440 CA ALA A 28 -3.289 -0.920 -8.487 1.00 7.74 C ATOM 441 C ALA A 28 -2.897 -2.423 -8.482 1.00 9.17 C ATOM 442 O ALA A 28 -3.659 -3.285 -8.971 1.00 11.45 O ATOM 443 CB ALA A 28 -2.704 -0.183 -9.672 1.00 7.68 C ATOM 0 H ALA A 28 -2.152 0.565 -7.545 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.378 -0.968 -8.507 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.988 -0.691 -10.593 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -3.084 0.838 -9.689 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.617 -0.164 -9.589 1.00 7.68 H new ATOM 449 N LYS A 29 -1.699 -2.758 -7.924 1.00 8.96 N ATOM 450 CA LYS A 29 -1.305 -4.140 -7.644 1.00 7.90 C ATOM 451 C LYS A 29 -2.236 -4.874 -6.629 1.00 6.92 C ATOM 452 O LYS A 29 -2.483 -6.038 -6.663 1.00 6.87 O ATOM 453 CB LYS A 29 0.186 -4.145 -7.327 1.00 10.28 C ATOM 454 CG LYS A 29 0.833 -5.520 -6.995 1.00 14.94 C ATOM 455 CD LYS A 29 2.345 -5.495 -7.036 1.00 19.69 C ATOM 456 CE LYS A 29 2.901 -5.560 -8.460 1.00 22.63 C ATOM 457 NZ LYS A 29 4.345 -5.359 -8.462 1.00 24.98 N ATOM 0 H LYS A 29 -0.993 -2.070 -7.662 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.454 -4.762 -8.526 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.715 -3.719 -8.179 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.355 -3.478 -6.481 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.508 -5.837 -6.004 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.469 -6.265 -7.703 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.702 -4.586 -6.553 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.733 -6.335 -6.461 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.663 -6.527 -8.904 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.423 -4.799 -9.077 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.691 -5.339 -9.442 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.571 -4.457 -7.997 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.805 -6.138 -7.948 1.00 24.98 H new ATOM 471 N ILE A 30 -2.818 -4.133 -5.635 1.00 4.57 N ATOM 472 CA ILE A 30 -3.731 -4.629 -4.618 1.00 5.58 C ATOM 473 C ILE A 30 -5.179 -4.646 -5.131 1.00 7.26 C ATOM 474 O ILE A 30 -5.987 -5.472 -4.727 1.00 9.46 O ATOM 475 CB ILE A 30 -3.619 -3.860 -3.238 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.351 -4.263 -2.383 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.869 -3.904 -2.338 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.226 -5.705 -2.004 1.00 2.00 C ATOM 0 H ILE A 30 -2.639 -3.133 -5.539 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.424 -5.655 -4.414 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.512 -2.830 -3.577 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.459 -3.980 -2.943 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.355 -3.670 -1.468 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.678 -3.345 -1.422 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.713 -3.459 -2.865 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.102 -4.939 -2.089 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.317 -5.850 -1.421 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.090 -6.001 -1.409 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.180 -6.316 -2.906 1.00 2.00 H new ATOM 490 N GLN A 31 -5.451 -3.888 -6.242 1.00 7.06 N ATOM 491 CA GLN A 31 -6.636 -4.119 -7.061 1.00 8.67 C ATOM 492 C GLN A 31 -6.491 -5.492 -7.793 1.00 10.90 C ATOM 493 O GLN A 31 -7.399 -6.311 -7.749 1.00 9.63 O ATOM 494 CB GLN A 31 -6.958 -3.000 -8.129 1.00 9.12 C ATOM 495 CG GLN A 31 -8.183 -3.311 -9.039 1.00 10.76 C ATOM 496 CD GLN A 31 -8.377 -2.188 -9.996 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.464 -1.430 -10.336 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.630 -2.025 -10.451 1.00 14.76 N ATOM 0 H GLN A 31 -4.858 -3.125 -6.568 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.474 -4.105 -6.364 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -7.137 -2.059 -7.608 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.081 -2.853 -8.759 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.022 -4.243 -9.581 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.078 -3.446 -8.432 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.367 -2.665 -10.155 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.844 -1.261 -11.092 1.00 14.76 H new ATOM 507 N ASP A 32 -5.304 -5.751 -8.338 1.00 10.93 N ATOM 508 CA ASP A 32 -4.946 -7.030 -8.869 1.00 14.01 C ATOM 509 C ASP A 32 -5.122 -8.136 -7.904 1.00 14.04 C ATOM 510 O ASP A 32 -5.644 -9.208 -8.201 1.00 13.39 O ATOM 511 CB ASP A 32 -3.539 -7.028 -9.447 1.00 18.01 C ATOM 512 CG ASP A 32 -3.401 -8.107 -10.530 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.197 -8.066 -11.509 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.556 -9.001 -10.528 1.00 25.17 O ATOM 0 H ASP A 32 -4.563 -5.054 -8.416 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.648 -7.216 -9.682 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.315 -6.049 -9.870 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.813 -7.206 -8.653 1.00 18.01 H new ATOM 519 N LYS A 33 -4.845 -7.946 -6.590 1.00 14.22 N ATOM 520 CA LYS A 33 -5.045 -8.932 -5.571 1.00 14.00 C ATOM 521 C LYS A 33 -6.495 -9.044 -4.953 1.00 12.37 C ATOM 522 O LYS A 33 -7.125 -10.131 -4.900 1.00 12.17 O ATOM 523 CB LYS A 33 -4.059 -8.723 -4.438 1.00 18.62 C ATOM 524 CG LYS A 33 -2.638 -9.139 -4.875 1.00 24.00 C ATOM 525 CD LYS A 33 -2.437 -10.684 -4.709 1.00 27.61 C ATOM 526 CE LYS A 33 -1.006 -11.249 -4.855 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.922 -12.669 -4.719 1.00 30.06 N ATOM 0 H LYS A 33 -4.467 -7.069 -6.230 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.886 -9.871 -6.101 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.061 -7.676 -4.135 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.364 -9.307 -3.570 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.474 -8.856 -5.915 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.898 -8.605 -4.279 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.808 -10.965 -3.723 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.070 -11.184 -5.442 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.613 -10.964 -5.831 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.365 -10.785 -4.105 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.067 -12.970 -4.829 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.266 -12.949 -3.778 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.506 -13.123 -5.450 1.00 30.06 H new ATOM 541 N GLU A 34 -7.035 -7.984 -4.318 1.00 10.11 N ATOM 542 CA GLU A 34 -8.315 -8.093 -3.600 1.00 10.07 C ATOM 543 C GLU A 34 -9.442 -7.220 -4.075 1.00 9.32 C ATOM 544 O GLU A 34 -10.451 -6.999 -3.413 1.00 11.61 O ATOM 545 CB GLU A 34 -8.049 -7.734 -2.149 1.00 14.77 C ATOM 546 CG GLU A 34 -7.170 -8.750 -1.367 1.00 18.75 C ATOM 547 CD GLU A 34 -7.770 -10.069 -1.225 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.965 -10.230 -0.861 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.112 -11.132 -1.418 1.00 21.95 O ATOM 0 H GLU A 34 -6.610 -7.057 -4.289 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.653 -9.115 -3.774 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.565 -6.758 -2.116 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.005 -7.634 -1.635 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.211 -8.852 -1.876 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.964 -8.348 -0.375 1.00 18.75 H new ATOM 556 N GLY A 35 -9.365 -6.683 -5.282 1.00 7.22 N ATOM 557 CA GLY A 35 -10.422 -6.111 -6.141 1.00 6.29 C ATOM 558 C GLY A 35 -10.773 -4.650 -5.920 1.00 6.93 C ATOM 559 O GLY A 35 -11.625 -4.075 -6.584 1.00 7.41 O ATOM 0 H GLY A 35 -8.460 -6.625 -5.749 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.117 -6.233 -7.180 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.328 -6.702 -6.003 1.00 6.29 H new ATOM 563 N ILE A 36 -10.235 -4.012 -4.881 1.00 5.86 N ATOM 564 CA ILE A 36 -10.696 -2.718 -4.474 1.00 6.07 C ATOM 565 C ILE A 36 -10.226 -1.644 -5.505 1.00 6.36 C ATOM 566 O ILE A 36 -9.070 -1.707 -6.025 1.00 6.18 O ATOM 567 CB ILE A 36 -10.042 -2.391 -3.107 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.478 -3.466 -2.085 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.424 -1.016 -2.560 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.706 -3.423 -0.764 1.00 9.49 C ATOM 0 H ILE A 36 -9.475 -4.387 -4.313 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.784 -2.713 -4.409 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.963 -2.384 -3.262 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.541 -3.343 -1.876 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.353 -4.451 -2.535 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.930 -0.856 -1.602 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.111 -0.245 -3.263 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.504 -0.966 -2.424 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.072 -4.209 -0.103 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.645 -3.577 -0.958 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.851 -2.453 -0.289 1.00 9.49 H new ATOM 582 N PRO A 37 -11.074 -0.631 -5.974 1.00 8.65 N ATOM 583 CA PRO A 37 -10.640 0.494 -6.820 1.00 9.18 C ATOM 584 C PRO A 37 -9.441 1.160 -6.122 1.00 9.85 C ATOM 585 O PRO A 37 -9.578 1.279 -4.909 1.00 8.51 O ATOM 586 CB PRO A 37 -11.821 1.503 -6.814 1.00 11.42 C ATOM 587 CG PRO A 37 -13.043 0.598 -6.584 1.00 9.27 C ATOM 588 CD PRO A 37 -12.494 -0.445 -5.516 1.00 8.33 C ATOM 0 HA PRO A 37 -10.370 0.182 -7.829 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.714 2.246 -6.024 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.893 2.047 -7.756 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.898 1.157 -6.204 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.365 0.108 -7.503 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.549 -0.057 -4.499 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -13.055 -1.380 -5.531 1.00 8.33 H new ATOM 596 N PRO A 38 -8.297 1.596 -6.691 1.00 8.71 N ATOM 597 CA PRO A 38 -7.280 2.368 -5.988 1.00 9.08 C ATOM 598 C PRO A 38 -7.807 3.683 -5.281 1.00 9.28 C ATOM 599 O PRO A 38 -7.204 4.046 -4.308 1.00 6.50 O ATOM 600 CB PRO A 38 -6.257 2.609 -7.113 1.00 10.31 C ATOM 601 CG PRO A 38 -6.351 1.262 -7.863 1.00 10.81 C ATOM 602 CD PRO A 38 -7.806 0.953 -7.895 1.00 12.00 C ATOM 0 HA PRO A 38 -6.866 1.851 -5.122 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.525 3.456 -7.744 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.255 2.802 -6.729 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.940 1.339 -8.869 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.791 0.481 -7.348 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.284 1.351 -8.790 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.992 -0.121 -7.885 1.00 12.00 H new ATOM 610 N ASP A 39 -8.936 4.228 -5.753 1.00 11.20 N ATOM 611 CA ASP A 39 -9.623 5.362 -5.249 1.00 14.96 C ATOM 612 C ASP A 39 -9.946 5.191 -3.794 1.00 13.99 C ATOM 613 O ASP A 39 -9.749 6.127 -3.040 1.00 13.75 O ATOM 614 CB ASP A 39 -10.938 5.473 -5.983 1.00 24.16 C ATOM 615 CG ASP A 39 -10.706 5.547 -7.515 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.606 4.429 -8.115 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.561 6.619 -8.100 1.00 34.22 O ATOM 0 H ASP A 39 -9.409 3.833 -6.566 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.993 6.241 -5.383 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.566 4.614 -5.746 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.473 6.361 -5.648 1.00 24.16 H new ATOM 622 N GLN A 40 -10.471 4.036 -3.386 1.00 11.60 N ATOM 623 CA GLN A 40 -10.918 3.784 -2.068 1.00 10.76 C ATOM 624 C GLN A 40 -9.772 3.298 -1.166 1.00 8.01 C ATOM 625 O GLN A 40 -10.007 2.906 -0.055 1.00 8.96 O ATOM 626 CB GLN A 40 -12.088 2.838 -2.047 1.00 11.14 C ATOM 627 CG GLN A 40 -13.243 3.521 -2.801 1.00 14.85 C ATOM 628 CD GLN A 40 -14.416 2.567 -2.909 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.486 1.524 -2.292 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.317 2.912 -3.830 1.00 18.16 N ATOM 0 H GLN A 40 -10.589 3.237 -4.009 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.269 4.731 -1.659 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.826 1.892 -2.521 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.380 2.611 -1.022 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.546 4.428 -2.278 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.914 3.822 -3.795 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.224 3.797 -4.328 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.099 2.290 -4.036 1.00 18.16 H new ATOM 639 N GLN A 41 -8.542 3.309 -1.654 1.00 6.52 N ATOM 640 CA GLN A 41 -7.445 2.662 -0.856 1.00 3.87 C ATOM 641 C GLN A 41 -6.494 3.662 -0.199 1.00 4.79 C ATOM 642 O GLN A 41 -6.020 4.570 -0.868 1.00 6.34 O ATOM 643 CB GLN A 41 -6.633 1.757 -1.801 1.00 4.20 C ATOM 644 CG GLN A 41 -7.371 0.601 -2.449 1.00 3.20 C ATOM 645 CD GLN A 41 -6.351 -0.167 -3.244 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.179 -0.216 -2.907 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.737 -0.949 -4.261 1.00 7.13 N ATOM 0 H GLN A 41 -8.260 3.725 -2.542 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.918 2.101 -0.050 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.217 2.380 -2.593 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.791 1.350 -1.240 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.834 -0.035 -1.694 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.171 0.965 -3.094 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.708 -0.937 -4.573 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -6.060 -1.556 -4.723 1.00 7.13 H new ATOM 656 N ARG A 42 -6.233 3.552 1.125 1.00 5.73 N ATOM 657 CA ARG A 42 -5.347 4.295 1.935 1.00 6.97 C ATOM 658 C ARG A 42 -4.334 3.353 2.591 1.00 7.15 C ATOM 659 O ARG A 42 -4.694 2.316 3.100 1.00 7.33 O ATOM 660 CB ARG A 42 -6.156 5.109 2.968 1.00 13.23 C ATOM 661 CG ARG A 42 -5.403 6.088 3.890 1.00 21.27 C ATOM 662 CD ARG A 42 -6.378 7.006 4.622 1.00 26.14 C ATOM 663 NE ARG A 42 -7.007 7.935 3.603 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.816 8.962 3.981 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.595 8.922 5.048 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.839 10.046 3.233 1.00 36.39 N ATOM 0 H ARG A 42 -6.716 2.845 1.679 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.782 5.004 1.330 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.908 5.680 2.424 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.690 4.401 3.602 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.810 5.529 4.614 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.707 6.686 3.302 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.146 6.420 5.127 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.858 7.579 5.389 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.820 7.787 2.611 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.610 8.090 5.637 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.181 9.724 5.282 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.260 10.100 2.395 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.436 10.832 3.492 1.00 36.39 H new ATOM 680 N LEU A 43 -3.086 3.707 2.481 1.00 4.65 N ATOM 681 CA LEU A 43 -1.996 2.855 2.973 1.00 3.51 C ATOM 682 C LEU A 43 -1.319 3.429 4.173 1.00 5.56 C ATOM 683 O LEU A 43 -1.008 4.656 4.211 1.00 4.19 O ATOM 684 CB LEU A 43 -0.959 2.619 1.839 1.00 3.74 C ATOM 685 CG LEU A 43 -1.372 1.560 0.917 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.501 1.496 -0.359 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.388 0.185 1.608 1.00 6.41 C ATOM 0 H LEU A 43 -2.778 4.581 2.055 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.438 1.906 3.277 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.815 3.545 1.283 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.004 2.359 2.279 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.386 1.816 0.609 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.857 0.691 -1.002 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.568 2.444 -0.893 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.536 1.308 -0.082 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.699 -0.577 0.894 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.389 -0.049 1.976 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.087 0.206 2.444 1.00 6.41 H new ATOM 699 N ILE A 44 -0.914 2.513 5.082 1.00 4.58 N ATOM 700 CA ILE A 44 -0.187 2.956 6.294 1.00 5.55 C ATOM 701 C ILE A 44 0.963 1.981 6.611 1.00 5.46 C ATOM 702 O ILE A 44 0.730 0.748 6.668 1.00 6.04 O ATOM 703 CB ILE A 44 -1.130 2.992 7.566 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.234 4.104 7.326 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.296 3.250 8.896 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.943 4.610 8.595 1.00 13.90 C ATOM 0 H ILE A 44 -1.068 1.507 5.008 1.00 4.58 H new ATOM 0 HA ILE A 44 0.187 3.958 6.084 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.616 2.026 7.702 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.768 4.953 6.826 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.985 3.706 6.644 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.972 3.269 9.751 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.434 2.452 9.028 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.222 4.206 8.821 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.679 5.367 8.323 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.445 3.777 9.088 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.209 5.044 9.273 1.00 13.90 H new ATOM 718 N PHE A 45 2.149 2.554 6.776 1.00 6.75 N ATOM 719 CA PHE A 45 3.385 1.913 7.172 1.00 4.70 C ATOM 720 C PHE A 45 3.912 2.667 8.375 1.00 6.34 C ATOM 721 O PHE A 45 4.271 3.853 8.314 1.00 5.45 O ATOM 722 CB PHE A 45 4.436 2.190 6.093 1.00 5.51 C ATOM 723 CG PHE A 45 5.828 1.741 6.360 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.012 0.392 6.697 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.855 2.654 6.392 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.289 -0.037 6.967 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.197 2.193 6.598 1.00 6.64 C ATOM 728 CZ PHE A 45 8.388 0.819 6.927 1.00 6.84 C ATOM 0 H PHE A 45 2.275 3.555 6.623 1.00 6.75 H new ATOM 0 HA PHE A 45 3.214 0.851 7.346 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.102 1.718 5.169 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.458 3.265 5.913 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.175 -0.289 6.743 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.653 3.707 6.263 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.447 -1.075 7.219 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.037 2.866 6.507 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.377 0.444 7.144 1.00 6.84 H new ATOM 738 N ALA A 46 3.972 1.971 9.567 1.00 6.53 N ATOM 739 CA ALA A 46 4.672 2.371 10.781 1.00 7.15 C ATOM 740 C ALA A 46 4.514 3.850 11.113 1.00 9.00 C ATOM 741 O ALA A 46 5.426 4.660 11.168 1.00 11.15 O ATOM 742 CB ALA A 46 6.215 2.046 10.710 1.00 8.99 C ATOM 0 H ALA A 46 3.499 1.074 9.679 1.00 6.53 H new ATOM 0 HA ALA A 46 4.201 1.785 11.570 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.696 2.361 11.636 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.355 0.974 10.575 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.661 2.579 9.870 1.00 8.99 H new ATOM 748 N GLY A 47 3.229 4.188 11.425 1.00 9.35 N ATOM 749 CA GLY A 47 2.891 5.509 11.983 1.00 11.68 C ATOM 750 C GLY A 47 2.742 6.631 10.940 1.00 11.14 C ATOM 751 O GLY A 47 2.513 7.789 11.269 1.00 13.93 O ATOM 0 H GLY A 47 2.430 3.567 11.298 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.958 5.424 12.541 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.664 5.795 12.696 1.00 11.68 H new ATOM 755 N LYS A 48 2.923 6.269 9.613 1.00 10.47 N ATOM 756 CA LYS A 48 2.843 7.265 8.551 1.00 8.82 C ATOM 757 C LYS A 48 1.793 6.792 7.605 1.00 7.68 C ATOM 758 O LYS A 48 1.863 5.676 7.146 1.00 6.47 O ATOM 759 CB LYS A 48 4.072 7.386 7.673 1.00 9.74 C ATOM 760 CG LYS A 48 5.171 8.240 8.365 1.00 14.14 C ATOM 761 CD LYS A 48 4.887 9.783 8.428 1.00 16.32 C ATOM 762 CE LYS A 48 6.052 10.729 8.838 1.00 20.04 C ATOM 763 NZ LYS A 48 6.930 10.957 7.693 1.00 23.92 N ATOM 0 H LYS A 48 3.117 5.319 9.296 1.00 10.47 H new ATOM 0 HA LYS A 48 2.676 8.218 9.054 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.464 6.393 7.452 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.799 7.841 6.721 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.307 7.871 9.382 1.00 14.14 H new ATOM 0 HG3 LYS A 48 6.113 8.083 7.840 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.533 10.097 7.446 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.067 9.942 9.128 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.653 11.678 9.197 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.617 10.290 9.660 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.707 11.590 7.972 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.322 10.049 7.370 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.387 11.394 6.921 1.00 23.92 H new ATOM 777 N GLN A 49 0.842 7.626 7.202 1.00 8.89 N ATOM 778 CA GLN A 49 0.053 7.455 5.997 1.00 7.18 C ATOM 779 C GLN A 49 0.925 7.747 4.789 1.00 8.23 C ATOM 780 O GLN A 49 1.928 8.461 4.864 1.00 9.70 O ATOM 781 CB GLN A 49 -1.181 8.410 6.043 1.00 11.67 C ATOM 782 CG GLN A 49 -2.033 8.418 7.348 1.00 15.82 C ATOM 783 CD GLN A 49 -3.117 9.450 7.213 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.275 9.071 6.955 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.742 10.737 7.295 1.00 20.67 N ATOM 0 H GLN A 49 0.594 8.466 7.725 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.311 6.430 5.925 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.828 9.426 5.865 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.838 8.151 5.213 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.468 7.434 7.520 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.403 8.643 8.209 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -1.774 10.973 7.511 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.426 11.478 7.141 1.00 20.67 H new ATOM 794 N LEU A 50 0.519 7.230 3.611 1.00 6.51 N ATOM 795 CA LEU A 50 1.454 7.283 2.450 1.00 7.41 C ATOM 796 C LEU A 50 0.813 7.923 1.240 1.00 8.27 C ATOM 797 O LEU A 50 -0.147 7.444 0.565 1.00 8.34 O ATOM 798 CB LEU A 50 1.920 5.873 1.937 1.00 7.13 C ATOM 799 CG LEU A 50 2.487 4.865 3.078 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.967 3.464 2.616 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.603 5.535 3.883 1.00 9.11 C ATOM 0 H LEU A 50 -0.387 6.796 3.434 1.00 6.51 H new ATOM 0 HA LEU A 50 2.297 7.853 2.840 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.079 5.392 1.437 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.697 6.018 1.186 1.00 7.13 H new ATOM 0 HG LEU A 50 1.604 4.666 3.685 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.319 2.897 3.478 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.140 2.933 2.146 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.780 3.576 1.899 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.969 4.844 4.642 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.420 5.807 3.215 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.215 6.432 4.366 1.00 9.11 H new ATOM 813 N GLU A 51 1.466 9.007 0.779 1.00 9.43 N ATOM 814 CA GLU A 51 0.945 9.811 -0.305 1.00 11.90 C ATOM 815 C GLU A 51 1.221 9.199 -1.680 1.00 11.49 C ATOM 816 O GLU A 51 2.306 8.631 -1.900 1.00 9.88 O ATOM 817 CB GLU A 51 1.429 11.295 -0.268 1.00 16.56 C ATOM 818 CG GLU A 51 1.106 11.974 1.081 1.00 26.06 C ATOM 819 CD GLU A 51 1.695 13.360 1.199 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.997 14.283 0.750 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.726 13.513 1.895 1.00 33.44 O ATOM 0 H GLU A 51 2.357 9.334 1.152 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.133 9.818 -0.146 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.504 11.330 -0.444 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.955 11.851 -1.077 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.024 12.033 1.202 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.484 11.354 1.894 1.00 26.06 H new ATOM 828 N ASP A 52 0.310 9.319 -2.585 1.00 12.71 N ATOM 829 CA ASP A 52 0.148 8.502 -3.797 1.00 16.56 C ATOM 830 C ASP A 52 1.361 8.507 -4.690 1.00 15.83 C ATOM 831 O ASP A 52 1.866 7.442 -5.109 1.00 17.21 O ATOM 832 CB ASP A 52 -1.115 8.856 -4.561 1.00 21.05 C ATOM 833 CG ASP A 52 -2.375 8.555 -3.719 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.746 7.355 -3.640 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.978 9.515 -3.162 1.00 25.82 O ATOM 0 H ASP A 52 -0.409 10.039 -2.516 1.00 12.71 H new ATOM 0 HA ASP A 52 0.040 7.476 -3.445 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.097 9.912 -4.830 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.152 8.290 -5.492 1.00 21.05 H new ATOM 840 N GLY A 53 1.867 9.734 -5.009 1.00 15.00 N ATOM 841 CA GLY A 53 2.955 9.970 -5.949 1.00 11.77 C ATOM 842 C GLY A 53 4.320 9.750 -5.474 1.00 11.10 C ATOM 843 O GLY A 53 5.240 9.733 -6.201 1.00 11.25 O ATOM 0 H GLY A 53 1.506 10.595 -4.598 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.794 9.330 -6.817 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.882 11.001 -6.295 1.00 11.77 H new ATOM 847 N ARG A 54 4.475 9.398 -4.180 1.00 8.53 N ATOM 848 CA ARG A 54 5.709 8.950 -3.640 1.00 9.05 C ATOM 849 C ARG A 54 6.138 7.493 -3.919 1.00 8.96 C ATOM 850 O ARG A 54 5.250 6.685 -4.171 1.00 11.60 O ATOM 851 CB ARG A 54 5.656 9.033 -2.075 1.00 7.97 C ATOM 852 CG ARG A 54 5.436 10.474 -1.536 1.00 9.62 C ATOM 853 CD ARG A 54 6.721 11.315 -1.561 1.00 12.20 C ATOM 854 NE ARG A 54 6.472 12.627 -0.905 1.00 18.23 N ATOM 855 CZ ARG A 54 7.357 13.390 -0.222 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.602 12.990 0.022 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.970 14.625 0.114 1.00 23.38 N ATOM 0 H ARG A 54 3.717 9.429 -3.499 1.00 8.53 H new ATOM 0 HA ARG A 54 6.423 9.606 -4.139 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.853 8.392 -1.712 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.587 8.639 -1.667 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.670 10.969 -2.134 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.059 10.423 -0.514 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.524 10.786 -1.047 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.048 11.468 -2.590 1.00 12.20 H new ATOM 0 HE ARG A 54 5.523 12.994 -0.979 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.919 12.079 -0.309 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.239 13.594 0.541 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.041 14.956 -0.145 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.604 15.236 0.629 1.00 23.38 H new ATOM 871 N THR A 55 7.420 7.195 -3.928 1.00 9.05 N ATOM 872 CA THR A 55 7.931 5.830 -4.029 1.00 9.03 C ATOM 873 C THR A 55 7.996 5.074 -2.682 1.00 8.15 C ATOM 874 O THR A 55 8.142 5.663 -1.635 1.00 5.91 O ATOM 875 CB THR A 55 9.312 5.719 -4.608 1.00 11.15 C ATOM 876 OG1 THR A 55 10.259 6.469 -3.844 1.00 11.95 O ATOM 877 CG2 THR A 55 9.367 6.238 -6.015 1.00 11.71 C ATOM 0 H THR A 55 8.154 7.900 -3.865 1.00 9.05 H new ATOM 0 HA THR A 55 7.194 5.383 -4.697 1.00 9.03 H new ATOM 0 HB THR A 55 9.560 4.658 -4.588 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.149 6.376 -4.244 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.382 6.141 -6.399 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.685 5.663 -6.642 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.073 7.288 -6.027 1.00 11.71 H new ATOM 885 N LEU A 56 8.043 3.705 -2.726 1.00 6.91 N ATOM 886 CA LEU A 56 8.368 2.870 -1.561 1.00 8.29 C ATOM 887 C LEU A 56 9.753 3.124 -0.964 1.00 8.05 C ATOM 888 O LEU A 56 9.869 3.179 0.236 1.00 10.17 O ATOM 889 CB LEU A 56 8.490 1.418 -2.003 1.00 6.60 C ATOM 890 CG LEU A 56 7.083 0.884 -2.467 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.268 -0.367 -3.383 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.159 0.500 -1.413 1.00 8.64 C ATOM 0 H LEU A 56 7.855 3.169 -3.573 1.00 6.91 H new ATOM 0 HA LEU A 56 7.578 3.097 -0.845 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.208 1.335 -2.819 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.868 0.809 -1.182 1.00 6.60 H new ATOM 0 HG LEU A 56 6.640 1.739 -2.977 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.292 -0.733 -3.701 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.856 -0.093 -4.259 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.786 -1.150 -2.829 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.227 0.150 -1.856 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.600 -0.298 -0.816 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.957 1.360 -0.775 1.00 8.64 H new ATOM 904 N SER A 57 10.807 3.337 -1.887 1.00 8.92 N ATOM 905 CA SER A 57 12.166 3.732 -1.553 1.00 9.00 C ATOM 906 C SER A 57 12.139 4.988 -0.688 1.00 9.44 C ATOM 907 O SER A 57 12.810 5.002 0.358 1.00 10.91 O ATOM 908 CB SER A 57 13.158 3.888 -2.752 1.00 10.32 C ATOM 909 OG SER A 57 14.381 4.560 -2.387 1.00 13.59 O ATOM 0 H SER A 57 10.672 3.221 -2.891 1.00 8.92 H new ATOM 0 HA SER A 57 12.577 2.889 -0.998 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.397 2.902 -3.150 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.669 4.444 -3.551 1.00 10.32 H new ATOM 0 HG SER A 57 14.963 4.629 -3.172 1.00 13.59 H new ATOM 915 N ASP A 58 11.341 6.041 -1.062 1.00 9.11 N ATOM 916 CA ASP A 58 11.210 7.324 -0.332 1.00 7.91 C ATOM 917 C ASP A 58 10.609 7.212 1.037 1.00 9.12 C ATOM 918 O ASP A 58 10.960 7.974 1.952 1.00 8.61 O ATOM 919 CB ASP A 58 10.501 8.412 -1.203 1.00 8.41 C ATOM 920 CG ASP A 58 10.994 9.802 -0.747 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.213 9.978 -0.454 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.175 10.720 -0.743 1.00 10.05 O ATOM 0 H ASP A 58 10.762 6.008 -1.901 1.00 9.11 H new ATOM 0 HA ASP A 58 12.234 7.651 -0.150 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.726 8.258 -2.258 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.419 8.339 -1.093 1.00 8.41 H new ATOM 927 N TYR A 59 9.607 6.340 1.234 1.00 7.97 N ATOM 928 CA TYR A 59 8.991 6.126 2.511 1.00 8.45 C ATOM 929 C TYR A 59 9.666 4.978 3.234 1.00 10.98 C ATOM 930 O TYR A 59 9.159 4.438 4.212 1.00 12.95 O ATOM 931 CB TYR A 59 7.493 5.712 2.286 1.00 7.94 C ATOM 932 CG TYR A 59 6.566 6.857 2.338 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.443 7.587 3.541 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.824 7.172 1.206 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.489 8.624 3.575 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.939 8.310 1.247 1.00 6.52 C ATOM 937 CZ TYR A 59 4.807 9.013 2.440 1.00 6.76 C ATOM 938 OH TYR A 59 3.851 10.049 2.552 1.00 7.63 O ATOM 0 H TYR A 59 9.212 5.767 0.488 1.00 7.97 H new ATOM 0 HA TYR A 59 9.074 7.042 3.096 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.399 5.219 1.318 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.205 4.984 3.044 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.056 7.360 4.401 1.00 4.59 H new ATOM 0 HD2 TYR A 59 5.909 6.574 0.310 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.287 9.125 4.510 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.389 8.611 0.368 1.00 6.52 H new ATOM 0 HH TYR A 59 4.016 10.723 1.860 1.00 7.63 H new ATOM 948 N ASN A 60 10.919 4.649 2.851 1.00 12.38 N ATOM 949 CA ASN A 60 11.786 3.774 3.575 1.00 13.94 C ATOM 950 C ASN A 60 11.349 2.301 3.784 1.00 14.16 C ATOM 951 O ASN A 60 11.720 1.622 4.743 1.00 14.26 O ATOM 952 CB ASN A 60 12.077 4.387 4.954 1.00 19.23 C ATOM 953 CG ASN A 60 12.897 5.658 4.756 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.432 6.803 4.864 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.219 5.481 4.443 1.00 24.09 N ATOM 0 H ASN A 60 11.342 5.012 1.997 1.00 12.38 H new ATOM 0 HA ASN A 60 12.655 3.698 2.922 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.145 4.614 5.472 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.622 3.678 5.576 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.822 6.291 4.299 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.600 4.539 4.354 1.00 24.09 H new ATOM 962 N ILE A 61 10.532 1.809 2.850 1.00 11.08 N ATOM 963 CA ILE A 61 9.823 0.573 2.844 1.00 11.78 C ATOM 964 C ILE A 61 10.785 -0.470 2.226 1.00 13.74 C ATOM 965 O ILE A 61 11.019 -0.540 0.986 1.00 14.60 O ATOM 966 CB ILE A 61 8.502 0.709 2.081 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.656 1.851 2.611 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.707 -0.610 2.198 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.366 2.115 1.949 1.00 11.42 C ATOM 0 H ILE A 61 10.347 2.340 1.999 1.00 11.08 H new ATOM 0 HA ILE A 61 9.535 0.256 3.846 1.00 11.78 H new ATOM 0 HB ILE A 61 8.739 0.923 1.039 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.458 1.660 3.666 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.252 2.762 2.558 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.766 -0.517 1.656 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.291 -1.426 1.773 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.502 -0.819 3.248 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.874 2.958 2.435 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.538 2.351 0.899 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.731 1.232 2.023 1.00 11.42 H new ATOM 981 N GLN A 62 11.354 -1.320 3.053 1.00 13.97 N ATOM 982 CA GLN A 62 12.372 -2.355 2.680 1.00 15.52 C ATOM 983 C GLN A 62 11.774 -3.742 2.479 1.00 13.94 C ATOM 984 O GLN A 62 10.618 -3.982 2.866 1.00 12.15 O ATOM 985 CB GLN A 62 13.475 -2.495 3.764 1.00 19.53 C ATOM 986 CG GLN A 62 12.941 -2.893 5.186 1.00 26.38 C ATOM 987 CD GLN A 62 14.217 -3.139 5.977 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.056 -4.019 5.652 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.388 -2.365 7.081 1.00 32.71 N ATOM 0 H GLN A 62 11.131 -1.333 4.048 1.00 13.97 H new ATOM 0 HA GLN A 62 12.789 -1.997 1.739 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.195 -3.245 3.437 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.012 -1.550 3.843 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.340 -2.098 5.628 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.313 -3.783 5.146 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.692 -1.659 7.322 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.212 -2.490 7.669 1.00 32.71 H new ATOM 998 N LYS A 63 12.509 -4.706 1.956 1.00 11.73 N ATOM 999 CA LYS A 63 12.091 -6.118 1.972 1.00 11.97 C ATOM 1000 C LYS A 63 11.452 -6.620 3.341 1.00 10.41 C ATOM 1001 O LYS A 63 12.081 -6.493 4.405 1.00 9.59 O ATOM 1002 CB LYS A 63 13.318 -7.035 1.635 1.00 13.73 C ATOM 1003 CG LYS A 63 14.561 -6.654 2.398 1.00 16.98 C ATOM 1004 CD LYS A 63 15.821 -7.467 2.243 1.00 20.19 C ATOM 1005 CE LYS A 63 15.622 -8.836 2.875 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.661 -9.814 2.448 1.00 25.97 N ATOM 0 H LYS A 63 13.411 -4.546 1.507 1.00 11.73 H new ATOM 0 HA LYS A 63 11.304 -6.188 1.221 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.063 -8.071 1.859 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.523 -6.981 0.566 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.804 -5.626 2.129 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.304 -6.654 3.457 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.069 -7.575 1.187 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.658 -6.954 2.717 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.643 -8.739 3.960 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.636 -9.217 2.608 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.483 -10.731 2.905 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.626 -9.929 1.415 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.601 -9.466 2.726 1.00 25.97 H new ATOM 1020 N GLU A 64 10.237 -7.216 3.276 1.00 10.04 N ATOM 1021 CA GLU A 64 9.504 -7.924 4.363 1.00 10.94 C ATOM 1022 C GLU A 64 8.810 -6.896 5.277 1.00 9.74 C ATOM 1023 O GLU A 64 8.371 -7.267 6.340 1.00 9.42 O ATOM 1024 CB GLU A 64 10.429 -8.916 5.065 1.00 18.31 C ATOM 1025 CG GLU A 64 10.822 -10.061 4.112 1.00 24.16 C ATOM 1026 CD GLU A 64 11.559 -11.256 4.737 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.821 -11.256 5.989 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.957 -12.225 4.067 1.00 31.72 O ATOM 0 H GLU A 64 9.704 -7.217 2.406 1.00 10.04 H new ATOM 0 HA GLU A 64 8.698 -8.538 3.960 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.325 -8.402 5.413 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.933 -9.323 5.946 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.915 -10.432 3.634 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.451 -9.647 3.324 1.00 24.16 H new ATOM 1035 N SER A 65 8.688 -5.572 4.901 1.00 6.85 N ATOM 1036 CA SER A 65 7.942 -4.536 5.553 1.00 6.90 C ATOM 1037 C SER A 65 6.493 -4.822 5.642 1.00 4.72 C ATOM 1038 O SER A 65 5.909 -5.445 4.736 1.00 3.91 O ATOM 1039 CB SER A 65 8.033 -3.175 4.914 1.00 7.28 C ATOM 1040 OG SER A 65 9.423 -2.789 4.910 1.00 10.56 O ATOM 0 H SER A 65 9.160 -5.222 4.068 1.00 6.85 H new ATOM 0 HA SER A 65 8.419 -4.521 6.533 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.640 -3.202 3.898 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.436 -2.451 5.468 1.00 7.28 H new ATOM 0 HG SER A 65 9.926 -3.382 4.313 1.00 10.56 H new ATOM 1046 N THR A 66 5.832 -4.201 6.628 1.00 4.48 N ATOM 1047 CA THR A 66 4.378 -4.384 6.856 1.00 3.80 C ATOM 1048 C THR A 66 3.689 -3.192 6.420 1.00 4.60 C ATOM 1049 O THR A 66 3.797 -2.131 7.046 1.00 5.33 O ATOM 1050 CB THR A 66 3.993 -4.660 8.295 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.501 -5.874 8.700 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.464 -4.734 8.378 1.00 3.40 C ATOM 0 H THR A 66 6.277 -3.563 7.288 1.00 4.48 H new ATOM 0 HA THR A 66 4.091 -5.268 6.286 1.00 3.80 H new ATOM 0 HB THR A 66 4.389 -3.869 8.932 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.247 -6.040 9.632 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.165 -4.932 9.407 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.036 -3.786 8.052 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.103 -5.536 7.734 1.00 3.40 H new ATOM 1060 N LEU A 67 2.895 -3.261 5.390 1.00 4.17 N ATOM 1061 CA LEU A 67 1.918 -2.232 5.089 1.00 3.85 C ATOM 1062 C LEU A 67 0.533 -2.611 5.522 1.00 3.80 C ATOM 1063 O LEU A 67 0.278 -3.787 5.729 1.00 5.54 O ATOM 1064 CB LEU A 67 1.902 -1.920 3.537 1.00 7.18 C ATOM 1065 CG LEU A 67 2.895 -0.782 3.104 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.240 -1.110 3.507 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.708 -0.556 1.584 1.00 11.66 C ATOM 0 H LEU A 67 2.901 -4.035 4.726 1.00 4.17 H new ATOM 0 HA LEU A 67 2.219 -1.347 5.649 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.149 -2.831 2.991 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.891 -1.637 3.244 1.00 7.18 H new ATOM 0 HG LEU A 67 2.684 0.163 3.605 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.917 -0.312 3.200 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.278 -1.221 4.591 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.543 -2.045 3.035 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.384 0.230 1.247 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.930 -1.479 1.049 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.678 -0.259 1.384 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.360 -1.643 5.761 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.616 -1.874 6.274 1.00 4.17 C ATOM 1081 C HIS A 68 -2.621 -1.141 5.318 1.00 5.32 C ATOM 1082 O HIS A 68 -2.335 -0.056 4.923 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.825 -1.319 7.722 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.990 -2.048 8.766 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.287 -1.738 8.972 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.277 -3.016 9.684 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.683 -2.478 10.060 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.214 -3.286 10.536 1.00 16.30 N ATOM 0 H HIS A 68 -0.171 -0.657 5.578 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.767 -2.952 6.336 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.572 -0.259 7.739 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.879 -1.400 7.987 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.231 -3.519 9.742 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.671 -2.393 10.489 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.155 -3.938 11.318 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.737 -1.841 4.967 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.744 -1.288 4.054 1.00 3.97 C ATOM 1098 C LEU A 69 -5.949 -0.797 4.800 1.00 5.07 C ATOM 1099 O LEU A 69 -6.627 -1.526 5.559 1.00 4.34 O ATOM 1100 CB LEU A 69 -5.211 -2.352 3.074 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.234 -1.907 1.976 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.536 -0.818 1.170 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.760 -3.038 1.079 1.00 9.96 C ATOM 0 H LEU A 69 -3.948 -2.779 5.306 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.274 -0.457 3.528 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.333 -2.760 2.573 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.659 -3.165 3.645 1.00 6.08 H new ATOM 0 HG LEU A 69 -7.141 -1.546 2.461 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.202 -0.464 0.383 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.278 0.012 1.827 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.628 -1.222 0.722 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.461 -2.629 0.352 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.926 -3.505 0.556 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.267 -3.783 1.692 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.279 0.480 4.537 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.327 1.199 5.178 1.00 6.26 C ATOM 1117 C VAL A 70 -8.219 1.825 4.117 1.00 9.22 C ATOM 1118 O VAL A 70 -7.810 2.066 2.996 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.714 2.388 5.929 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.801 3.120 6.766 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.623 1.945 6.853 1.00 8.54 C ATOM 0 H VAL A 70 -5.786 1.037 3.839 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.874 0.521 5.833 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.298 3.063 5.180 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.350 3.961 7.293 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.585 3.486 6.103 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.231 2.427 7.490 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.210 2.811 7.370 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.027 1.245 7.584 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.836 1.456 6.279 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.502 2.037 4.462 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.535 2.713 3.713 1.00 16.06 C ATOM 1133 C LEU A 71 -10.173 4.216 3.507 1.00 18.09 C ATOM 1134 O LEU A 71 -10.001 4.969 4.480 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.919 2.670 4.401 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.518 1.348 4.752 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.586 1.450 5.861 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -13.118 0.599 3.587 1.00 19.57 C ATOM 0 H LEU A 71 -9.857 1.702 5.358 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.595 2.179 2.764 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.847 3.252 5.320 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.625 3.188 3.751 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.660 0.780 5.111 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.986 0.458 6.074 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.135 1.861 6.764 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -14.393 2.103 5.530 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -13.529 -0.348 3.936 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.913 1.197 3.141 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -12.346 0.407 2.841 1.00 19.57 H new