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 6 LYS NZ :NH3+ 172:sc= 1.15 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot 161:sc= 0.986 USER MOD Set 2.1: A 7 THR OG1 : rot 120:sc= 0.415 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.215 USER MOD Single : A 1 MET CE :methyl -134:sc= -0.101 (180deg=-1.07) USER MOD Single : A 1 MET N :NH3+ -179:sc= 2.47 (180deg=2.43) USER MOD Single : A 2 GLN : amide:sc= -0.0288 X(o=-0.029,f=0.27) USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= 1.03 (180deg=0.864) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 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=-0.00387 K(o=-0.0039,f=-0.51) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 1.38 (180deg=1.09) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 2.43 (180deg=2.3) USER MOD Single : A 31 GLN : amide:sc= -0.294 K(o=-0.29,f=-3.2!) USER MOD Single : A 33 LYS NZ :NH3+ -122:sc= 0.0635 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.014) USER MOD Single : A 41 GLN : amide:sc= 1.26 K(o=1.3,f=-2.1) 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=-0.086) USER MOD Single : A 55 THR OG1 : rot -9:sc= 1.29 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.283 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.493 X(o=0.49,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 74:sc= -0.198 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.172 -7.247 -5.348 1.00 9.67 N ATOM 2 CA MET A 1 11.355 -7.206 -3.876 1.00 10.38 C ATOM 3 C MET A 1 10.022 -7.546 -3.139 1.00 9.62 C ATOM 4 O MET A 1 8.937 -7.073 -3.573 1.00 9.62 O ATOM 5 CB MET A 1 11.724 -5.704 -3.569 1.00 13.77 C ATOM 6 CG MET A 1 12.092 -5.443 -2.121 1.00 16.29 C ATOM 7 SD MET A 1 12.505 -3.695 -1.888 1.00 17.17 S ATOM 8 CE MET A 1 10.804 -3.214 -1.605 1.00 16.11 C ATOM 0 H1 MET A 1 12.076 -7.034 -5.816 1.00 9.67 H new ATOM 0 H2 MET A 1 10.850 -8.194 -5.632 1.00 9.67 H new ATOM 0 H3 MET A 1 10.462 -6.541 -5.629 1.00 9.67 H new ATOM 0 HA MET A 1 12.108 -7.922 -3.547 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.559 -5.409 -4.204 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.879 -5.071 -3.838 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.261 -5.718 -1.471 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.940 -6.066 -1.835 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.577 -2.321 -2.187 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.141 -4.024 -1.910 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.657 -3.004 -0.546 1.00 16.11 H new ATOM 20 N GLN A 2 9.980 -8.379 -2.070 1.00 9.27 N ATOM 21 CA GLN A 2 8.719 -8.819 -1.516 1.00 9.07 C ATOM 22 C GLN A 2 8.227 -7.962 -0.330 1.00 8.72 C ATOM 23 O GLN A 2 8.991 -7.770 0.663 1.00 8.22 O ATOM 24 CB GLN A 2 8.823 -10.288 -1.027 1.00 14.46 C ATOM 25 CG GLN A 2 7.533 -10.677 -0.246 1.00 17.01 C ATOM 26 CD GLN A 2 7.449 -12.181 -0.142 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.678 -12.684 0.917 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.149 -12.815 -1.282 1.00 19.49 N ATOM 0 H GLN A 2 10.805 -8.744 -1.594 1.00 9.27 H new ATOM 0 HA GLN A 2 7.999 -8.718 -2.328 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.959 -10.955 -1.878 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.697 -10.407 -0.386 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.548 -10.232 0.749 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.653 -10.286 -0.757 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.971 -12.280 -2.132 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.098 -13.834 -1.301 1.00 19.49 H new ATOM 37 N ILE A 3 6.937 -7.525 -0.331 1.00 5.87 N ATOM 38 CA ILE A 3 6.404 -6.924 0.857 1.00 5.07 C ATOM 39 C ILE A 3 5.073 -7.597 1.144 1.00 4.01 C ATOM 40 O ILE A 3 4.515 -8.311 0.290 1.00 4.61 O ATOM 41 CB ILE A 3 6.235 -5.414 0.728 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.402 -4.997 -0.506 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.545 -4.722 0.776 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.926 -3.548 -0.533 1.00 10.83 C ATOM 0 H ILE A 3 6.295 -7.587 -1.121 1.00 5.87 H new ATOM 0 HA ILE A 3 7.104 -7.070 1.680 1.00 5.07 H new ATOM 0 HB ILE A 3 5.656 -5.092 1.593 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.998 -5.180 -1.400 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.529 -5.647 -0.567 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.392 -3.647 0.682 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.035 -4.937 1.725 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.172 -5.073 -0.044 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.353 -3.370 -1.443 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.296 -3.356 0.336 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.788 -2.881 -0.511 1.00 10.83 H new ATOM 56 N PHE A 4 4.569 -7.241 2.318 1.00 4.55 N ATOM 57 CA PHE A 4 3.327 -7.778 2.894 1.00 4.68 C ATOM 58 C PHE A 4 2.405 -6.561 3.196 1.00 5.30 C ATOM 59 O PHE A 4 2.900 -5.447 3.448 1.00 5.58 O ATOM 60 CB PHE A 4 3.573 -8.465 4.261 1.00 4.83 C ATOM 61 CG PHE A 4 4.563 -9.619 4.060 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.335 -10.656 3.145 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.837 -9.480 4.658 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.306 -11.666 2.906 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.813 -10.428 4.402 1.00 10.61 C ATOM 66 CZ PHE A 4 6.528 -11.533 3.576 1.00 8.90 C ATOM 0 H PHE A 4 5.020 -6.551 2.919 1.00 4.55 H new ATOM 0 HA PHE A 4 2.906 -8.499 2.193 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.970 -7.747 4.979 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.635 -8.839 4.670 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.398 -10.688 2.608 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.046 -8.643 5.308 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.111 -12.494 2.241 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.796 -10.320 4.837 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.276 -12.302 3.456 1.00 8.90 H new ATOM 76 N VAL A 5 1.085 -6.844 3.178 1.00 4.44 N ATOM 77 CA VAL A 5 0.033 -5.894 3.545 1.00 3.87 C ATOM 78 C VAL A 5 -0.861 -6.633 4.549 1.00 4.93 C ATOM 79 O VAL A 5 -1.342 -7.695 4.252 1.00 6.84 O ATOM 80 CB VAL A 5 -0.775 -5.447 2.329 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.841 -4.441 2.788 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.244 -4.771 1.391 1.00 9.13 C ATOM 0 H VAL A 5 0.723 -7.757 2.902 1.00 4.44 H new ATOM 0 HA VAL A 5 0.460 -4.986 3.971 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.285 -6.270 1.829 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.426 -4.113 1.929 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.500 -4.915 3.516 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.355 -3.580 3.246 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.264 -4.423 0.492 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.701 -3.923 1.901 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.017 -5.489 1.116 1.00 9.13 H new ATOM 92 N LYS A 6 -1.256 -5.988 5.675 1.00 6.04 N ATOM 93 CA LYS A 6 -2.193 -6.453 6.649 1.00 6.12 C ATOM 94 C LYS A 6 -3.508 -5.766 6.429 1.00 6.57 C ATOM 95 O LYS A 6 -3.684 -4.560 6.537 1.00 5.76 O ATOM 96 CB LYS A 6 -1.660 -6.193 8.106 1.00 7.45 C ATOM 97 CG LYS A 6 -0.620 -7.247 8.434 1.00 11.12 C ATOM 98 CD LYS A 6 -1.024 -8.772 8.629 1.00 14.54 C ATOM 99 CE LYS A 6 0.082 -9.672 9.026 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.417 -11.044 8.974 1.00 20.55 N ATOM 0 H LYS A 6 -0.885 -5.069 5.914 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.326 -7.529 6.538 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.225 -5.196 8.178 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.480 -6.235 8.822 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.127 -7.215 7.640 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.124 -6.930 9.351 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.807 -8.830 9.385 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.453 -9.139 7.697 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.933 -9.550 8.356 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.430 -9.430 10.030 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.372 -11.706 9.116 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.125 -11.184 9.722 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.854 -11.220 8.047 1.00 20.55 H new ATOM 114 N THR A 7 -4.520 -6.517 6.097 1.00 7.41 N ATOM 115 CA THR A 7 -5.909 -6.032 5.949 1.00 7.48 C ATOM 116 C THR A 7 -6.658 -6.074 7.223 1.00 8.75 C ATOM 117 O THR A 7 -6.402 -6.812 8.157 1.00 8.58 O ATOM 118 CB THR A 7 -6.727 -6.713 4.898 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.979 -8.048 5.296 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.854 -6.814 3.642 1.00 9.17 C ATOM 0 H THR A 7 -4.424 -7.515 5.911 1.00 7.41 H new ATOM 0 HA THR A 7 -5.764 -5.003 5.620 1.00 7.48 H new ATOM 0 HB THR A 7 -7.655 -6.165 4.735 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.946 -8.190 5.372 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.415 -7.307 2.848 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.567 -5.814 3.317 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.959 -7.393 3.867 1.00 9.17 H new ATOM 128 N LEU A 8 -7.704 -5.245 7.310 1.00 9.84 N ATOM 129 CA LEU A 8 -8.692 -5.079 8.401 1.00 14.15 C ATOM 130 C LEU A 8 -9.672 -6.307 8.451 1.00 17.37 C ATOM 131 O LEU A 8 -10.749 -6.197 9.044 1.00 17.01 O ATOM 132 CB LEU A 8 -9.539 -3.818 8.069 1.00 16.63 C ATOM 133 CG LEU A 8 -8.791 -2.495 8.109 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.630 -1.382 7.478 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.434 -2.058 9.556 1.00 18.59 C ATOM 0 H LEU A 8 -7.907 -4.604 6.543 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.171 -4.994 9.355 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.968 -3.942 7.075 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.371 -3.766 8.771 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.869 -2.653 7.549 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.077 -0.443 7.516 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.846 -1.634 6.440 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.565 -1.275 8.028 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.901 -1.108 9.528 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.349 -1.944 10.138 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.801 -2.815 10.019 1.00 18.59 H new ATOM 147 N THR A 9 -9.454 -7.445 7.771 1.00 18.33 N ATOM 148 CA THR A 9 -10.035 -8.727 7.960 1.00 19.24 C ATOM 149 C THR A 9 -8.945 -9.755 8.386 1.00 19.48 C ATOM 150 O THR A 9 -9.280 -10.928 8.628 1.00 23.14 O ATOM 151 CB THR A 9 -10.733 -9.246 6.735 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.780 -9.249 5.695 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.905 -8.368 6.250 1.00 19.70 C ATOM 0 H THR A 9 -8.789 -7.459 6.998 1.00 18.33 H new ATOM 0 HA THR A 9 -10.783 -8.608 8.744 1.00 19.24 H new ATOM 0 HB THR A 9 -11.141 -10.224 6.988 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.194 -9.584 4.872 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.352 -8.816 5.362 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.656 -8.296 7.037 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.537 -7.371 6.008 1.00 19.70 H new ATOM 161 N GLY A 10 -7.689 -9.419 8.549 1.00 19.43 N ATOM 162 CA GLY A 10 -6.556 -10.273 8.975 1.00 18.74 C ATOM 163 C GLY A 10 -5.864 -10.939 7.870 1.00 17.62 C ATOM 164 O GLY A 10 -5.058 -11.818 8.135 1.00 19.74 O ATOM 0 H GLY A 10 -7.384 -8.461 8.377 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.839 -9.661 9.523 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.925 -11.029 9.668 1.00 18.74 H new ATOM 168 N LYS A 11 -6.208 -10.588 6.607 1.00 13.56 N ATOM 169 CA LYS A 11 -5.778 -11.212 5.402 1.00 11.91 C ATOM 170 C LYS A 11 -4.429 -10.659 5.006 1.00 10.18 C ATOM 171 O LYS A 11 -4.209 -9.453 5.162 1.00 9.10 O ATOM 172 CB LYS A 11 -6.853 -11.101 4.300 1.00 13.43 C ATOM 173 CG LYS A 11 -6.707 -12.046 3.122 1.00 16.69 C ATOM 174 CD LYS A 11 -8.013 -12.074 2.339 1.00 17.92 C ATOM 175 CE LYS A 11 -8.058 -13.000 1.136 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.091 -12.594 0.069 1.00 21.93 N ATOM 0 H LYS A 11 -6.837 -9.805 6.428 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.649 -12.283 5.560 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.829 -11.270 4.755 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.851 -10.079 3.921 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.890 -11.721 2.478 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.457 -13.048 3.472 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.814 -12.360 3.021 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.230 -11.061 1.999 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.836 -14.018 1.456 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -9.067 -13.008 0.724 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.970 -13.376 -0.606 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.456 -11.758 -0.431 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.173 -12.365 0.501 1.00 21.93 H new ATOM 190 N THR A 12 -3.448 -11.511 4.669 1.00 9.63 N ATOM 191 CA THR A 12 -2.155 -11.021 4.470 1.00 9.85 C ATOM 192 C THR A 12 -1.893 -11.134 3.014 1.00 11.66 C ATOM 193 O THR A 12 -1.859 -12.243 2.495 1.00 12.33 O ATOM 194 CB THR A 12 -1.143 -11.884 5.221 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.588 -11.990 6.591 1.00 10.91 O ATOM 196 CG2 THR A 12 0.237 -11.132 5.150 1.00 9.63 C ATOM 0 H THR A 12 -3.562 -12.516 4.540 1.00 9.63 H new ATOM 0 HA THR A 12 -2.066 -9.996 4.829 1.00 9.85 H new ATOM 0 HB THR A 12 -1.047 -12.883 4.797 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.155 -12.759 7.017 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.995 -11.713 5.675 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.531 -11.009 4.108 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.142 -10.152 5.618 1.00 9.63 H new ATOM 204 N ILE A 13 -1.694 -10.011 2.375 1.00 10.42 N ATOM 205 CA ILE A 13 -1.530 -9.836 0.954 1.00 11.84 C ATOM 206 C ILE A 13 -0.049 -9.720 0.675 1.00 10.55 C ATOM 207 O ILE A 13 0.651 -9.081 1.443 1.00 11.92 O ATOM 208 CB ILE A 13 -2.126 -8.563 0.372 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.505 -8.259 1.049 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.385 -8.872 -1.092 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.177 -6.974 0.547 1.00 16.46 C ATOM 0 H ILE A 13 -1.638 -9.123 2.875 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.040 -10.688 0.504 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.462 -7.711 0.522 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.177 -9.100 0.875 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.360 -8.184 2.127 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.816 -7.997 -1.578 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.446 -9.132 -1.581 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.079 -9.709 -1.170 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.126 -6.834 1.064 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.527 -6.122 0.745 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.356 -7.052 -0.525 1.00 16.46 H new ATOM 223 N THR A 14 0.497 -10.371 -0.397 1.00 9.39 N ATOM 224 CA THR A 14 1.954 -10.283 -0.608 1.00 9.63 C ATOM 225 C THR A 14 2.151 -9.811 -1.961 1.00 11.20 C ATOM 226 O THR A 14 1.599 -10.346 -2.913 1.00 11.63 O ATOM 227 CB THR A 14 2.560 -11.647 -0.430 1.00 10.38 C ATOM 228 OG1 THR A 14 2.183 -12.245 0.834 1.00 16.30 O ATOM 229 CG2 THR A 14 4.078 -11.512 -0.427 1.00 11.66 C ATOM 0 H THR A 14 -0.019 -10.925 -1.081 1.00 9.39 H new ATOM 0 HA THR A 14 2.428 -9.606 0.103 1.00 9.63 H new ATOM 0 HB THR A 14 2.202 -12.276 -1.245 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.595 -13.131 0.913 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.530 -12.495 -0.298 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.407 -11.082 -1.373 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.384 -10.862 0.393 1.00 11.66 H new ATOM 237 N LEU A 15 3.015 -8.801 -2.147 1.00 8.29 N ATOM 238 CA LEU A 15 3.076 -8.049 -3.417 1.00 9.03 C ATOM 239 C LEU A 15 4.483 -8.181 -3.891 1.00 8.59 C ATOM 240 O LEU A 15 5.350 -8.406 -3.039 1.00 7.79 O ATOM 241 CB LEU A 15 2.752 -6.565 -3.209 1.00 11.08 C ATOM 242 CG LEU A 15 1.384 -6.225 -2.618 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.357 -4.670 -2.448 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.273 -6.755 -3.546 1.00 15.27 C ATOM 0 H LEU A 15 3.679 -8.485 -1.440 1.00 8.29 H new ATOM 0 HA LEU A 15 2.349 -8.439 -4.129 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.516 -6.140 -2.558 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.838 -6.062 -4.172 1.00 11.08 H new ATOM 0 HG LEU A 15 1.211 -6.695 -1.650 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.398 -4.367 -2.027 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.161 -4.363 -1.779 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.493 -4.195 -3.420 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.702 -6.512 -3.123 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.368 -6.292 -4.528 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.366 -7.837 -3.644 1.00 15.27 H new ATOM 256 N GLU A 16 4.718 -7.920 -5.187 1.00 11.04 N ATOM 257 CA GLU A 16 6.070 -7.834 -5.739 1.00 11.50 C ATOM 258 C GLU A 16 6.301 -6.418 -6.290 1.00 10.13 C ATOM 259 O GLU A 16 5.622 -5.926 -7.197 1.00 9.83 O ATOM 260 CB GLU A 16 6.280 -8.950 -6.850 1.00 17.22 C ATOM 261 CG GLU A 16 7.788 -9.194 -7.207 1.00 23.33 C ATOM 262 CD GLU A 16 8.667 -9.844 -6.154 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.087 -10.657 -5.366 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.852 -9.483 -6.077 1.00 28.86 O ATOM 0 H GLU A 16 3.979 -7.765 -5.873 1.00 11.04 H new ATOM 0 HA GLU A 16 6.807 -8.018 -4.957 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.840 -9.885 -6.504 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.742 -8.660 -7.753 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.824 -9.814 -8.103 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.231 -8.232 -7.466 1.00 23.33 H new ATOM 271 N VAL A 17 7.268 -5.752 -5.698 1.00 8.99 N ATOM 272 CA VAL A 17 7.446 -4.324 -5.941 1.00 8.85 C ATOM 273 C VAL A 17 8.963 -4.089 -6.148 1.00 8.04 C ATOM 274 O VAL A 17 9.797 -4.953 -5.877 1.00 8.99 O ATOM 275 CB VAL A 17 6.787 -3.442 -4.825 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.309 -3.501 -4.794 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.420 -3.835 -3.469 1.00 10.54 C ATOM 0 H VAL A 17 7.940 -6.164 -5.051 1.00 8.99 H new ATOM 0 HA VAL A 17 6.918 -4.005 -6.840 1.00 8.85 H new ATOM 0 HB VAL A 17 6.994 -2.396 -5.052 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.936 -2.862 -3.993 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.911 -3.156 -5.748 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.989 -4.528 -4.618 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.978 -3.235 -2.674 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.234 -4.891 -3.273 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.495 -3.657 -3.504 1.00 10.54 H new ATOM 287 N GLU A 18 9.375 -2.912 -6.569 1.00 7.29 N ATOM 288 CA GLU A 18 10.780 -2.414 -6.607 1.00 7.08 C ATOM 289 C GLU A 18 10.783 -1.234 -5.675 1.00 6.45 C ATOM 290 O GLU A 18 9.731 -0.776 -5.291 1.00 5.28 O ATOM 291 CB GLU A 18 11.208 -2.093 -8.045 1.00 10.28 C ATOM 292 CG GLU A 18 11.489 -3.302 -8.941 1.00 12.65 C ATOM 293 CD GLU A 18 12.724 -4.179 -8.527 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.733 -3.671 -8.021 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.644 -5.423 -8.740 1.00 18.17 O ATOM 0 H GLU A 18 8.716 -2.217 -6.920 1.00 7.29 H new ATOM 0 HA GLU A 18 11.516 -3.149 -6.282 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.427 -1.493 -8.511 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.105 -1.475 -8.008 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.603 -3.937 -8.953 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.642 -2.949 -9.961 1.00 12.65 H new ATOM 302 N PRO A 19 11.944 -0.770 -5.106 1.00 7.24 N ATOM 303 CA PRO A 19 11.996 0.560 -4.520 1.00 7.07 C ATOM 304 C PRO A 19 11.383 1.733 -5.273 1.00 6.65 C ATOM 305 O PRO A 19 11.048 2.724 -4.671 1.00 6.37 O ATOM 306 CB PRO A 19 13.455 0.799 -4.197 1.00 7.61 C ATOM 307 CG PRO A 19 14.192 -0.209 -5.088 1.00 8.16 C ATOM 308 CD PRO A 19 13.277 -1.418 -5.173 1.00 7.49 C ATOM 0 HA PRO A 19 11.332 0.543 -3.656 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.752 1.824 -4.420 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.665 0.629 -3.141 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.385 0.208 -6.076 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.158 -0.477 -4.661 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.418 -1.977 -6.098 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.438 -2.116 -4.351 1.00 7.49 H new ATOM 316 N SER A 20 11.389 1.674 -6.621 1.00 6.80 N ATOM 317 CA SER A 20 10.943 2.745 -7.501 1.00 6.28 C ATOM 318 C SER A 20 9.524 2.630 -7.888 1.00 8.45 C ATOM 319 O SER A 20 9.007 3.406 -8.717 1.00 7.26 O ATOM 320 CB SER A 20 11.901 2.900 -8.638 1.00 8.57 C ATOM 321 OG SER A 20 11.937 1.674 -9.406 1.00 11.13 O ATOM 0 H SER A 20 11.715 0.852 -7.130 1.00 6.80 H new ATOM 0 HA SER A 20 10.962 3.684 -6.947 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.597 3.732 -9.274 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.896 3.135 -8.260 1.00 8.57 H new ATOM 0 HG SER A 20 12.563 1.774 -10.153 1.00 11.13 H new ATOM 327 N ASP A 21 8.755 1.757 -7.209 1.00 7.50 N ATOM 328 CA ASP A 21 7.296 1.754 -7.196 1.00 7.70 C ATOM 329 C ASP A 21 6.675 2.924 -6.361 1.00 7.08 C ATOM 330 O ASP A 21 6.818 3.045 -5.137 1.00 8.11 O ATOM 331 CB ASP A 21 6.769 0.412 -6.667 1.00 11.00 C ATOM 332 CG ASP A 21 6.914 -0.742 -7.632 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.053 -1.009 -8.131 1.00 18.03 O ATOM 334 OD2 ASP A 21 5.866 -1.376 -7.968 1.00 14.36 O ATOM 0 H ASP A 21 9.155 1.013 -6.638 1.00 7.50 H new ATOM 0 HA ASP A 21 6.986 1.902 -8.230 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.296 0.167 -5.745 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.716 0.525 -6.411 1.00 11.00 H new ATOM 339 N THR A 22 5.880 3.761 -7.098 1.00 5.37 N ATOM 340 CA THR A 22 4.972 4.651 -6.475 1.00 6.01 C ATOM 341 C THR A 22 3.980 3.952 -5.626 1.00 8.01 C ATOM 342 O THR A 22 3.723 2.755 -5.798 1.00 8.11 O ATOM 343 CB THR A 22 4.199 5.677 -7.356 1.00 8.92 C ATOM 344 OG1 THR A 22 3.556 5.012 -8.386 1.00 10.22 O ATOM 345 CG2 THR A 22 5.172 6.691 -7.937 1.00 9.65 C ATOM 0 H THR A 22 5.884 3.803 -8.117 1.00 5.37 H new ATOM 0 HA THR A 22 5.677 5.245 -5.894 1.00 6.01 H new ATOM 0 HB THR A 22 3.463 6.195 -6.741 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.069 5.658 -8.939 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.627 7.407 -8.553 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.675 7.218 -7.126 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.912 6.176 -8.549 1.00 9.65 H new ATOM 353 N ILE A 23 3.449 4.654 -4.611 1.00 8.32 N ATOM 354 CA ILE A 23 2.356 4.147 -3.756 1.00 9.92 C ATOM 355 C ILE A 23 1.117 3.785 -4.580 1.00 10.01 C ATOM 356 O ILE A 23 0.403 2.847 -4.224 1.00 8.71 O ATOM 357 CB ILE A 23 2.130 5.205 -2.655 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.380 5.431 -1.723 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.893 4.759 -1.746 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.904 4.149 -1.092 1.00 12.30 C ATOM 0 H ILE A 23 3.764 5.590 -4.358 1.00 8.32 H new ATOM 0 HA ILE A 23 2.613 3.203 -3.275 1.00 9.92 H new ATOM 0 HB ILE A 23 1.939 6.148 -3.168 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.178 5.894 -2.304 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.113 6.133 -0.933 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.728 5.502 -0.966 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.001 4.676 -2.364 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.108 3.794 -1.288 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.764 4.378 -0.463 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.121 3.696 -0.484 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.203 3.453 -1.876 1.00 12.30 H new ATOM 372 N GLU A 24 0.870 4.511 -5.665 1.00 9.54 N ATOM 373 CA GLU A 24 -0.123 4.097 -6.585 1.00 11.81 C ATOM 374 C GLU A 24 0.036 2.714 -7.253 1.00 11.14 C ATOM 375 O GLU A 24 -0.945 1.931 -7.375 1.00 10.62 O ATOM 376 CB GLU A 24 -0.584 5.233 -7.548 1.00 19.24 C ATOM 377 CG GLU A 24 -1.952 4.935 -8.151 1.00 27.76 C ATOM 378 CD GLU A 24 -2.607 6.179 -8.712 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.927 6.877 -9.462 1.00 34.80 O ATOM 380 OE2 GLU A 24 -3.814 6.385 -8.500 1.00 36.51 O ATOM 0 H GLU A 24 1.351 5.377 -5.907 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.964 3.890 -5.923 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.623 6.178 -7.006 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.148 5.354 -8.347 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.846 4.193 -8.942 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.597 4.498 -7.389 1.00 27.76 H new ATOM 387 N ASN A 25 1.254 2.272 -7.625 1.00 9.43 N ATOM 388 CA ASN A 25 1.520 0.895 -8.175 1.00 10.96 C ATOM 389 C ASN A 25 1.330 -0.129 -7.069 1.00 9.68 C ATOM 390 O ASN A 25 0.874 -1.195 -7.406 1.00 9.33 O ATOM 391 CB ASN A 25 2.924 0.826 -8.793 1.00 16.78 C ATOM 392 CG ASN A 25 2.812 1.387 -10.228 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.304 2.509 -10.443 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.280 0.541 -11.176 1.00 24.70 N ATOM 0 H ASN A 25 2.093 2.848 -7.559 1.00 9.43 H new ATOM 0 HA ASN A 25 0.812 0.670 -8.973 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.633 1.408 -8.205 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.289 -0.201 -8.807 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.233 0.802 -12.161 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.679 -0.358 -10.905 1.00 24.70 H new ATOM 401 N VAL A 26 1.685 0.117 -5.839 1.00 6.52 N ATOM 402 CA VAL A 26 1.260 -0.718 -4.706 1.00 5.53 C ATOM 403 C VAL A 26 -0.214 -0.870 -4.556 1.00 4.42 C ATOM 404 O VAL A 26 -0.720 -1.973 -4.531 1.00 3.40 O ATOM 405 CB VAL A 26 1.941 -0.283 -3.407 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.689 -1.235 -2.287 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.518 -0.133 -3.601 1.00 8.12 C ATOM 0 H VAL A 26 2.280 0.902 -5.573 1.00 6.52 H new ATOM 0 HA VAL A 26 1.603 -1.724 -4.946 1.00 5.53 H new ATOM 0 HB VAL A 26 1.505 0.683 -3.151 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.194 -0.881 -1.388 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.617 -1.301 -2.099 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.072 -2.220 -2.554 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.972 0.177 -2.660 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.939 -1.090 -3.909 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.721 0.616 -4.366 1.00 8.12 H new ATOM 417 N LYS A 27 -0.920 0.292 -4.660 1.00 2.64 N ATOM 418 CA LYS A 27 -2.383 0.164 -4.717 1.00 4.14 C ATOM 419 C LYS A 27 -3.038 -0.513 -5.961 1.00 5.58 C ATOM 420 O LYS A 27 -4.004 -1.265 -5.811 1.00 4.11 O ATOM 421 CB LYS A 27 -3.108 1.517 -4.507 1.00 3.97 C ATOM 422 CG LYS A 27 -2.795 2.205 -3.149 1.00 7.45 C ATOM 423 CD LYS A 27 -3.425 3.627 -2.936 1.00 9.02 C ATOM 424 CE LYS A 27 -3.091 4.684 -4.010 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.913 5.887 -4.014 1.00 15.47 N ATOM 0 H LYS A 27 -0.537 1.236 -4.702 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.526 -0.534 -3.892 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.832 2.193 -5.316 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.183 1.355 -4.580 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.139 1.553 -2.346 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.713 2.290 -3.048 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.508 3.519 -2.886 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.098 4.006 -1.968 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.050 4.982 -3.884 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.171 4.213 -4.990 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.505 6.584 -4.669 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.878 5.647 -4.320 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.944 6.290 -3.056 1.00 15.47 H new ATOM 439 N ALA A 28 -2.472 -0.347 -7.200 1.00 6.61 N ATOM 440 CA ALA A 28 -2.877 -1.012 -8.435 1.00 7.74 C ATOM 441 C ALA A 28 -2.660 -2.516 -8.372 1.00 9.17 C ATOM 442 O ALA A 28 -3.532 -3.253 -8.862 1.00 11.45 O ATOM 443 CB ALA A 28 -2.027 -0.563 -9.571 1.00 7.68 C ATOM 0 H ALA A 28 -1.687 0.288 -7.346 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.931 -0.766 -8.567 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.343 -1.069 -10.484 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.130 0.515 -9.699 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.985 -0.806 -9.364 1.00 7.68 H new ATOM 449 N LYS A 29 -1.589 -2.963 -7.762 1.00 8.96 N ATOM 450 CA LYS A 29 -1.095 -4.330 -7.558 1.00 7.90 C ATOM 451 C LYS A 29 -2.091 -4.955 -6.548 1.00 6.92 C ATOM 452 O LYS A 29 -2.574 -6.097 -6.793 1.00 6.87 O ATOM 453 CB LYS A 29 0.306 -4.252 -6.950 1.00 10.28 C ATOM 454 CG LYS A 29 1.375 -4.113 -8.099 1.00 14.94 C ATOM 455 CD LYS A 29 2.859 -3.806 -7.808 1.00 19.69 C ATOM 456 CE LYS A 29 3.580 -3.705 -9.129 1.00 22.63 C ATOM 457 NZ LYS A 29 5.018 -3.764 -8.858 1.00 24.98 N ATOM 0 H LYS A 29 -0.948 -2.295 -7.334 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.031 -4.914 -8.476 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.372 -3.400 -6.273 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.507 -5.146 -6.359 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.353 -5.046 -8.663 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.018 -3.329 -8.766 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.953 -2.875 -7.250 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.298 -4.592 -7.193 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.282 -4.519 -9.790 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.324 -2.774 -9.634 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.539 -3.816 -9.757 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 5.309 -2.911 -8.338 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 5.229 -4.607 -8.286 1.00 24.98 H new ATOM 471 N ILE A 30 -2.334 -4.223 -5.433 1.00 4.57 N ATOM 472 CA ILE A 30 -3.387 -4.560 -4.497 1.00 5.58 C ATOM 473 C ILE A 30 -4.737 -4.766 -5.224 1.00 7.26 C ATOM 474 O ILE A 30 -5.479 -5.684 -4.946 1.00 9.46 O ATOM 475 CB ILE A 30 -3.614 -3.621 -3.269 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.437 -3.776 -2.341 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.903 -3.974 -2.494 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.256 -2.619 -1.407 1.00 2.00 C ATOM 0 H ILE A 30 -1.800 -3.393 -5.176 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.004 -5.483 -4.062 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.715 -2.598 -3.633 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.562 -4.688 -1.757 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.531 -3.899 -2.934 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.018 -3.294 -1.650 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.763 -3.878 -3.156 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.839 -4.999 -2.128 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.391 -2.799 -0.769 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.099 -1.707 -1.983 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.146 -2.508 -0.788 1.00 2.00 H new ATOM 490 N GLN A 31 -5.161 -3.914 -6.244 1.00 7.06 N ATOM 491 CA GLN A 31 -6.398 -3.999 -7.024 1.00 8.67 C ATOM 492 C GLN A 31 -6.440 -5.345 -7.776 1.00 10.90 C ATOM 493 O GLN A 31 -7.482 -6.023 -7.807 1.00 9.63 O ATOM 494 CB GLN A 31 -6.798 -2.876 -8.061 1.00 9.12 C ATOM 495 CG GLN A 31 -8.133 -3.158 -8.777 1.00 10.76 C ATOM 496 CD GLN A 31 -8.503 -1.988 -9.661 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.151 -1.039 -9.240 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.155 -2.041 -10.959 1.00 14.76 N ATOM 0 H GLN A 31 -4.591 -3.118 -6.531 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.131 -3.864 -6.229 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.866 -1.920 -7.543 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.007 -2.780 -8.805 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.049 -4.065 -9.376 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.919 -3.332 -8.043 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -7.615 -2.832 -11.310 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.431 -1.290 -11.592 1.00 14.76 H new ATOM 507 N ASP A 32 -5.299 -5.786 -8.378 1.00 10.93 N ATOM 508 CA ASP A 32 -5.180 -7.010 -9.058 1.00 14.01 C ATOM 509 C ASP A 32 -5.379 -8.202 -8.126 1.00 14.04 C ATOM 510 O ASP A 32 -6.083 -9.170 -8.517 1.00 13.39 O ATOM 511 CB ASP A 32 -3.815 -7.240 -9.770 1.00 18.01 C ATOM 512 CG ASP A 32 -3.517 -6.261 -10.879 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.486 -5.742 -11.524 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.285 -6.081 -11.159 1.00 25.17 O ATOM 0 H ASP A 32 -4.434 -5.245 -8.376 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.964 -6.942 -9.813 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.018 -7.184 -9.028 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.798 -8.250 -10.179 1.00 18.01 H new ATOM 519 N LYS A 33 -4.817 -8.183 -6.878 1.00 14.22 N ATOM 520 CA LYS A 33 -5.082 -9.133 -5.788 1.00 14.00 C ATOM 521 C LYS A 33 -6.418 -9.157 -5.093 1.00 12.37 C ATOM 522 O LYS A 33 -7.123 -10.166 -5.081 1.00 12.17 O ATOM 523 CB LYS A 33 -4.089 -8.846 -4.637 1.00 18.62 C ATOM 524 CG LYS A 33 -2.608 -9.034 -5.066 1.00 24.00 C ATOM 525 CD LYS A 33 -2.091 -10.493 -5.045 1.00 27.61 C ATOM 526 CE LYS A 33 -0.595 -10.579 -5.215 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.159 -11.908 -4.949 1.00 30.06 N ATOM 0 H LYS A 33 -4.140 -7.469 -6.609 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.007 -10.078 -6.326 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.234 -7.825 -4.283 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.308 -9.508 -3.799 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.486 -8.638 -6.074 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.978 -8.434 -4.409 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.374 -10.961 -4.102 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.577 -11.058 -5.840 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.317 -10.291 -6.229 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.101 -9.881 -4.538 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.540 -11.896 -4.179 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.973 -12.491 -4.669 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.275 -12.309 -5.805 1.00 30.06 H new ATOM 541 N GLU A 34 -6.878 -8.000 -4.547 1.00 10.11 N ATOM 542 CA GLU A 34 -8.043 -8.023 -3.717 1.00 10.07 C ATOM 543 C GLU A 34 -9.224 -7.311 -4.408 1.00 9.32 C ATOM 544 O GLU A 34 -10.340 -7.316 -3.898 1.00 11.61 O ATOM 545 CB GLU A 34 -7.713 -7.259 -2.386 1.00 14.77 C ATOM 546 CG GLU A 34 -7.078 -8.157 -1.352 1.00 18.75 C ATOM 547 CD GLU A 34 -8.020 -9.286 -0.862 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.091 -8.926 -0.205 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.743 -10.475 -1.141 1.00 25.19 O ATOM 0 H GLU A 34 -6.454 -7.082 -4.679 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.321 -9.059 -3.523 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.042 -6.428 -2.604 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.629 -6.831 -1.979 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.176 -8.602 -1.772 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.769 -7.555 -0.498 1.00 18.75 H new ATOM 556 N GLY A 35 -9.047 -6.639 -5.609 1.00 7.22 N ATOM 557 CA GLY A 35 -10.238 -6.159 -6.317 1.00 6.29 C ATOM 558 C GLY A 35 -10.831 -4.886 -5.717 1.00 6.93 C ATOM 559 O GLY A 35 -11.976 -4.556 -6.042 1.00 7.41 O ATOM 0 H GLY A 35 -8.151 -6.443 -6.055 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.981 -5.974 -7.360 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.996 -6.942 -6.309 1.00 6.29 H new ATOM 563 N ILE A 36 -10.044 -4.090 -4.931 1.00 5.86 N ATOM 564 CA ILE A 36 -10.482 -2.866 -4.270 1.00 6.07 C ATOM 565 C ILE A 36 -9.889 -1.695 -5.063 1.00 6.36 C ATOM 566 O ILE A 36 -8.678 -1.652 -5.150 1.00 6.18 O ATOM 567 CB ILE A 36 -10.160 -2.759 -2.849 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.102 -4.126 -2.094 1.00 8.52 C ATOM 569 CG2 ILE A 36 -11.082 -1.729 -2.176 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.369 -3.991 -0.675 1.00 9.49 C ATOM 0 H ILE A 36 -9.064 -4.307 -4.749 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.572 -2.863 -4.273 1.00 6.07 H new ATOM 0 HB ILE A 36 -9.135 -2.395 -2.781 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.114 -4.503 -1.946 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.576 -4.858 -2.707 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.834 -1.656 -1.117 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.946 -0.756 -2.648 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -12.120 -2.044 -2.285 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.349 -4.963 -0.182 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.348 -3.639 -0.825 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.910 -3.279 -0.052 1.00 9.49 H new ATOM 582 N PRO A 37 -10.591 -0.673 -5.596 1.00 8.65 N ATOM 583 CA PRO A 37 -9.998 0.456 -6.270 1.00 9.18 C ATOM 584 C PRO A 37 -8.821 1.280 -5.629 1.00 9.85 C ATOM 585 O PRO A 37 -8.841 1.479 -4.407 1.00 8.51 O ATOM 586 CB PRO A 37 -11.183 1.410 -6.515 1.00 11.42 C ATOM 587 CG PRO A 37 -12.394 0.467 -6.689 1.00 9.27 C ATOM 588 CD PRO A 37 -12.011 -0.619 -5.670 1.00 8.33 C ATOM 0 HA PRO A 37 -9.481 0.025 -7.127 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.326 2.092 -5.677 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.024 2.023 -7.402 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.341 0.951 -6.450 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.481 0.079 -7.704 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.435 -0.390 -4.692 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.414 -1.585 -5.974 1.00 8.33 H new ATOM 596 N PRO A 38 -7.815 1.786 -6.386 1.00 8.71 N ATOM 597 CA PRO A 38 -6.717 2.616 -5.843 1.00 9.08 C ATOM 598 C PRO A 38 -7.189 3.904 -5.235 1.00 9.28 C ATOM 599 O PRO A 38 -6.475 4.536 -4.519 1.00 6.50 O ATOM 600 CB PRO A 38 -5.923 2.920 -7.119 1.00 10.31 C ATOM 601 CG PRO A 38 -6.035 1.635 -7.987 1.00 10.81 C ATOM 602 CD PRO A 38 -7.474 1.107 -7.663 1.00 12.00 C ATOM 0 HA PRO A 38 -6.173 2.116 -5.042 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.333 3.784 -7.641 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.883 3.150 -6.890 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.916 1.854 -9.048 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.270 0.904 -7.725 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.181 1.360 -8.453 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.489 0.022 -7.557 1.00 12.00 H new ATOM 610 N ASP A 39 -8.457 4.238 -5.435 1.00 11.20 N ATOM 611 CA ASP A 39 -9.029 5.517 -5.083 1.00 14.96 C ATOM 612 C ASP A 39 -9.956 5.331 -3.919 1.00 13.99 C ATOM 613 O ASP A 39 -10.473 6.338 -3.388 1.00 13.75 O ATOM 614 CB ASP A 39 -9.806 6.084 -6.300 1.00 24.16 C ATOM 615 CG ASP A 39 -8.983 6.085 -7.526 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.241 7.054 -7.796 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.001 5.056 -8.330 1.00 35.55 O ATOM 0 H ASP A 39 -9.131 3.602 -5.860 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.241 6.218 -4.808 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.704 5.490 -6.466 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.132 7.101 -6.081 1.00 24.16 H new ATOM 622 N GLN A 40 -10.058 4.049 -3.416 1.00 11.60 N ATOM 623 CA GLN A 40 -10.754 3.758 -2.235 1.00 10.76 C ATOM 624 C GLN A 40 -9.796 3.264 -1.141 1.00 8.01 C ATOM 625 O GLN A 40 -9.971 3.555 0.055 1.00 8.96 O ATOM 626 CB GLN A 40 -11.759 2.625 -2.542 1.00 11.14 C ATOM 627 CG GLN A 40 -12.591 2.147 -1.328 1.00 14.85 C ATOM 628 CD GLN A 40 -13.828 1.493 -1.924 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.983 0.271 -1.861 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.695 2.255 -2.589 1.00 18.16 N ATOM 0 H GLN A 40 -9.639 3.233 -3.863 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.255 4.660 -1.884 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.442 2.965 -3.321 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.212 1.774 -2.947 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.028 1.441 -0.718 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.860 2.982 -0.682 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.557 3.265 -2.634 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.497 1.829 -3.053 1.00 18.16 H new ATOM 639 N GLN A 41 -8.715 2.514 -1.501 1.00 6.52 N ATOM 640 CA GLN A 41 -7.626 2.216 -0.563 1.00 3.87 C ATOM 641 C GLN A 41 -6.673 3.341 -0.210 1.00 4.79 C ATOM 642 O GLN A 41 -6.366 4.265 -0.980 1.00 6.34 O ATOM 643 CB GLN A 41 -6.591 1.350 -1.331 1.00 4.20 C ATOM 644 CG GLN A 41 -7.189 0.055 -1.873 1.00 3.20 C ATOM 645 CD GLN A 41 -6.075 -0.623 -2.673 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.893 -0.501 -2.314 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.396 -1.187 -3.820 1.00 7.13 N ATOM 0 H GLN A 41 -8.588 2.114 -2.430 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.162 1.841 0.309 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.182 1.930 -2.158 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.760 1.111 -0.667 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.532 -0.586 -1.061 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.054 0.259 -2.504 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.376 -1.274 -4.089 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.664 -1.537 -4.439 1.00 7.13 H new ATOM 656 N ARG A 42 -6.255 3.316 1.099 1.00 5.73 N ATOM 657 CA ARG A 42 -5.222 4.100 1.680 1.00 6.97 C ATOM 658 C ARG A 42 -4.192 3.294 2.517 1.00 7.15 C ATOM 659 O ARG A 42 -4.570 2.346 3.221 1.00 7.33 O ATOM 660 CB ARG A 42 -5.832 5.207 2.517 1.00 13.23 C ATOM 661 CG ARG A 42 -6.428 6.374 1.722 1.00 21.27 C ATOM 662 CD ARG A 42 -6.989 7.383 2.753 1.00 26.14 C ATOM 663 NE ARG A 42 -7.402 8.620 1.940 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.328 9.434 2.313 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.176 9.160 3.310 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.499 10.543 1.592 1.00 36.39 N ATOM 0 H ARG A 42 -6.688 2.693 1.780 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.654 4.515 0.848 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.614 4.778 3.143 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.066 5.598 3.187 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.668 6.843 1.097 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.217 6.024 1.056 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.841 6.964 3.288 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.238 7.638 3.500 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.919 8.806 1.061 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.105 8.274 3.811 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.894 9.837 3.570 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.908 10.720 0.780 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.221 11.214 1.853 1.00 36.39 H new ATOM 680 N LEU A 43 -2.843 3.546 2.309 1.00 4.65 N ATOM 681 CA LEU A 43 -1.782 2.712 2.859 1.00 3.51 C ATOM 682 C LEU A 43 -1.061 3.396 3.962 1.00 5.56 C ATOM 683 O LEU A 43 -0.691 4.556 3.812 1.00 4.19 O ATOM 684 CB LEU A 43 -0.777 2.298 1.710 1.00 3.74 C ATOM 685 CG LEU A 43 -1.451 1.663 0.408 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.429 1.283 -0.572 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.261 0.429 0.916 1.00 6.41 C ATOM 0 H LEU A 43 -2.501 4.332 1.757 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.239 1.816 3.279 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.209 3.179 1.412 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.063 1.581 2.116 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.102 2.371 -0.104 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.910 0.853 -1.451 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.140 2.165 -0.865 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.244 0.548 -0.130 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.751 -0.057 0.072 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.585 -0.277 1.398 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.013 0.758 1.633 1.00 6.41 H new ATOM 699 N ILE A 44 -0.778 2.709 5.043 1.00 4.58 N ATOM 700 CA ILE A 44 -0.312 3.215 6.345 1.00 5.55 C ATOM 701 C ILE A 44 0.946 2.464 6.766 1.00 5.46 C ATOM 702 O ILE A 44 0.978 1.251 6.515 1.00 6.04 O ATOM 703 CB ILE A 44 -1.407 3.070 7.420 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.787 3.652 6.933 1.00 10.31 C ATOM 705 CG2 ILE A 44 -1.108 3.859 8.695 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.905 5.206 6.775 1.00 13.90 C ATOM 0 H ILE A 44 -0.871 1.693 5.052 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.082 4.276 6.243 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.440 1.997 7.609 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.022 3.198 5.970 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.555 3.327 7.635 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.917 3.714 9.411 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.172 3.507 9.129 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -1.021 4.919 8.455 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.908 5.462 6.434 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.715 5.685 7.736 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.174 5.554 6.045 1.00 13.90 H new ATOM 718 N PHE A 45 1.990 3.032 7.444 1.00 6.75 N ATOM 719 CA PHE A 45 3.234 2.367 7.715 1.00 4.70 C ATOM 720 C PHE A 45 4.075 3.365 8.505 1.00 6.34 C ATOM 721 O PHE A 45 4.187 4.513 8.049 1.00 5.45 O ATOM 722 CB PHE A 45 3.954 1.807 6.497 1.00 5.51 C ATOM 723 CG PHE A 45 5.377 1.473 6.701 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.769 0.295 7.297 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.400 2.325 6.225 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.136 -0.089 7.262 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.721 1.939 6.172 1.00 6.64 C ATOM 728 CZ PHE A 45 8.128 0.695 6.731 1.00 6.84 C ATOM 0 H PHE A 45 1.955 3.984 7.810 1.00 6.75 H new ATOM 0 HA PHE A 45 3.042 1.459 8.286 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.431 0.909 6.168 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.881 2.533 5.687 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.041 -0.333 7.788 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.135 3.317 5.890 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.409 -1.049 7.675 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.451 2.583 5.704 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.163 0.385 6.737 1.00 6.84 H new ATOM 738 N ALA A 46 4.652 2.876 9.572 1.00 6.53 N ATOM 739 CA ALA A 46 5.643 3.638 10.389 1.00 7.15 C ATOM 740 C ALA A 46 5.240 4.969 11.112 1.00 9.00 C ATOM 741 O ALA A 46 6.038 5.957 11.079 1.00 11.15 O ATOM 742 CB ALA A 46 6.914 3.735 9.538 1.00 8.99 C ATOM 0 H ALA A 46 4.467 1.937 9.925 1.00 6.53 H new ATOM 0 HA ALA A 46 5.774 3.063 11.306 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.678 4.285 10.087 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.279 2.733 9.314 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.690 4.256 8.607 1.00 8.99 H new ATOM 748 N GLY A 47 4.004 5.000 11.632 1.00 9.35 N ATOM 749 CA GLY A 47 3.293 6.098 12.220 1.00 11.68 C ATOM 750 C GLY A 47 2.584 7.058 11.318 1.00 11.14 C ATOM 751 O GLY A 47 2.121 8.092 11.795 1.00 13.93 O ATOM 0 H GLY A 47 3.434 4.154 11.642 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.556 5.684 12.908 1.00 11.68 H new ATOM 0 HA3 GLY A 47 4.003 6.669 12.819 1.00 11.68 H new ATOM 755 N LYS A 48 2.493 6.749 10.027 1.00 10.47 N ATOM 756 CA LYS A 48 2.239 7.713 9.009 1.00 8.82 C ATOM 757 C LYS A 48 1.465 7.007 7.816 1.00 7.68 C ATOM 758 O LYS A 48 1.671 5.840 7.546 1.00 6.47 O ATOM 759 CB LYS A 48 3.531 8.388 8.624 1.00 9.74 C ATOM 760 CG LYS A 48 4.620 7.558 7.990 1.00 14.14 C ATOM 761 CD LYS A 48 5.905 8.324 7.846 1.00 16.32 C ATOM 762 CE LYS A 48 7.188 7.473 7.635 1.00 20.04 C ATOM 763 NZ LYS A 48 8.378 8.370 7.590 1.00 23.92 N ATOM 0 H LYS A 48 2.599 5.798 9.673 1.00 10.47 H new ATOM 0 HA LYS A 48 1.587 8.514 9.357 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.289 9.197 7.935 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.945 8.847 9.522 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.795 6.668 8.595 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.290 7.217 7.009 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.804 9.008 7.003 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.042 8.936 8.738 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.295 6.750 8.444 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.112 6.905 6.708 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.237 7.801 7.449 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.276 9.043 6.804 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.453 8.893 8.486 1.00 23.92 H new ATOM 777 N GLN A 49 0.636 7.782 7.084 1.00 8.89 N ATOM 778 CA GLN A 49 0.110 7.435 5.788 1.00 7.18 C ATOM 779 C GLN A 49 1.093 7.619 4.672 1.00 8.23 C ATOM 780 O GLN A 49 2.022 8.376 4.753 1.00 9.70 O ATOM 781 CB GLN A 49 -1.164 8.254 5.452 1.00 11.67 C ATOM 782 CG GLN A 49 -2.042 7.797 4.269 1.00 15.82 C ATOM 783 CD GLN A 49 -3.334 8.626 4.279 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.096 8.425 5.201 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.580 9.413 3.216 1.00 20.67 N ATOM 0 H GLN A 49 0.316 8.694 7.409 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.128 6.374 5.862 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.791 8.271 6.343 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.856 9.282 5.259 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.511 7.933 3.327 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.272 6.735 4.355 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.875 9.521 2.487 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.472 9.902 3.139 1.00 20.67 H new ATOM 794 N LEU A 50 0.967 6.791 3.678 1.00 6.51 N ATOM 795 CA LEU A 50 1.869 6.753 2.513 1.00 7.41 C ATOM 796 C LEU A 50 1.147 7.364 1.304 1.00 8.27 C ATOM 797 O LEU A 50 0.069 6.937 0.930 1.00 8.34 O ATOM 798 CB LEU A 50 2.205 5.266 2.155 1.00 7.13 C ATOM 799 CG LEU A 50 2.830 4.424 3.299 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.320 3.152 2.748 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.990 5.174 3.904 1.00 9.11 C ATOM 0 H LEU A 50 0.222 6.096 3.632 1.00 6.51 H new ATOM 0 HA LEU A 50 2.779 7.304 2.750 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.289 4.775 1.826 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.891 5.261 1.308 1.00 7.13 H new ATOM 0 HG LEU A 50 2.077 4.236 4.064 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.761 2.555 3.547 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.490 2.605 2.302 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.074 3.352 1.986 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.427 4.581 4.707 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.743 5.359 3.138 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.639 6.125 4.305 1.00 9.11 H new ATOM 813 N GLU A 51 1.720 8.366 0.671 1.00 9.43 N ATOM 814 CA GLU A 51 1.066 9.187 -0.328 1.00 11.90 C ATOM 815 C GLU A 51 1.378 8.771 -1.721 1.00 11.49 C ATOM 816 O GLU A 51 2.518 8.439 -2.098 1.00 9.88 O ATOM 817 CB GLU A 51 1.650 10.625 -0.082 1.00 16.56 C ATOM 818 CG GLU A 51 1.207 11.691 -1.099 1.00 26.06 C ATOM 819 CD GLU A 51 1.838 13.034 -0.687 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.458 13.605 0.349 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.758 13.469 -1.432 1.00 32.13 O ATOM 0 H GLU A 51 2.687 8.641 0.843 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.017 9.115 -0.233 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.358 10.953 0.916 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.738 10.565 -0.092 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.524 11.414 -2.104 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.120 11.771 -1.118 1.00 26.06 H new ATOM 828 N ASP A 52 0.356 8.694 -2.584 1.00 12.71 N ATOM 829 CA ASP A 52 0.305 8.308 -3.954 1.00 16.56 C ATOM 830 C ASP A 52 1.549 8.566 -4.841 1.00 15.83 C ATOM 831 O ASP A 52 2.109 7.636 -5.407 1.00 17.21 O ATOM 832 CB ASP A 52 -0.843 9.072 -4.609 1.00 21.05 C ATOM 833 CG ASP A 52 -2.199 8.795 -3.919 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.368 9.255 -2.763 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.106 8.200 -4.590 1.00 25.82 O ATOM 0 H ASP A 52 -0.579 8.944 -2.262 1.00 12.71 H new ATOM 0 HA ASP A 52 0.205 7.224 -3.908 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.632 10.141 -4.575 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.909 8.793 -5.661 1.00 21.05 H new ATOM 840 N GLY A 53 2.005 9.835 -5.071 1.00 15.00 N ATOM 841 CA GLY A 53 3.089 10.128 -6.038 1.00 11.77 C ATOM 842 C GLY A 53 4.427 10.042 -5.380 1.00 11.10 C ATOM 843 O GLY A 53 5.360 10.528 -6.031 1.00 11.25 O ATOM 0 H GLY A 53 1.636 10.660 -4.599 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.042 9.423 -6.868 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.949 11.124 -6.457 1.00 11.77 H new ATOM 847 N ARG A 54 4.566 9.572 -4.146 1.00 8.53 N ATOM 848 CA ARG A 54 5.889 9.194 -3.601 1.00 9.05 C ATOM 849 C ARG A 54 6.157 7.718 -3.849 1.00 8.96 C ATOM 850 O ARG A 54 5.318 6.972 -4.381 1.00 11.60 O ATOM 851 CB ARG A 54 5.904 9.431 -2.034 1.00 7.97 C ATOM 852 CG ARG A 54 5.318 10.809 -1.597 1.00 9.62 C ATOM 853 CD ARG A 54 5.912 11.372 -0.311 1.00 12.20 C ATOM 854 NE ARG A 54 4.920 12.403 0.198 1.00 18.23 N ATOM 855 CZ ARG A 54 4.907 12.795 1.464 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.889 12.500 2.288 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.758 13.303 1.923 1.00 23.38 N ATOM 0 H ARG A 54 3.790 9.440 -3.497 1.00 8.53 H new ATOM 0 HA ARG A 54 6.649 9.801 -4.092 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.336 8.636 -1.551 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.930 9.353 -1.675 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.477 11.528 -2.401 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.240 10.707 -1.470 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.065 10.583 0.425 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.885 11.827 -0.498 1.00 12.20 H new ATOM 0 HE ARG A 54 4.245 12.805 -0.452 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.686 11.957 1.957 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.853 12.815 3.258 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.949 13.373 1.306 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.691 13.621 2.890 1.00 23.38 H new ATOM 871 N THR A 55 7.384 7.186 -3.529 1.00 9.05 N ATOM 872 CA THR A 55 7.659 5.790 -3.749 1.00 9.03 C ATOM 873 C THR A 55 7.958 5.055 -2.428 1.00 8.15 C ATOM 874 O THR A 55 8.039 5.539 -1.319 1.00 5.91 O ATOM 875 CB THR A 55 8.803 5.543 -4.792 1.00 11.15 C ATOM 876 OG1 THR A 55 10.083 6.015 -4.385 1.00 11.95 O ATOM 877 CG2 THR A 55 8.484 6.234 -6.044 1.00 11.71 C ATOM 0 H THR A 55 8.157 7.718 -3.129 1.00 9.05 H new ATOM 0 HA THR A 55 6.748 5.373 -4.178 1.00 9.03 H new ATOM 0 HB THR A 55 8.858 4.460 -4.901 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.990 6.548 -3.568 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.280 6.061 -6.768 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.543 5.852 -6.441 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.391 7.304 -5.856 1.00 11.71 H new ATOM 885 N LEU A 56 8.151 3.715 -2.510 1.00 6.91 N ATOM 886 CA LEU A 56 8.657 2.836 -1.413 1.00 8.29 C ATOM 887 C LEU A 56 10.066 3.214 -0.897 1.00 8.05 C ATOM 888 O LEU A 56 10.342 3.203 0.300 1.00 10.17 O ATOM 889 CB LEU A 56 8.599 1.445 -2.030 1.00 6.60 C ATOM 890 CG LEU A 56 7.147 0.832 -2.249 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.214 -0.607 -2.937 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.395 0.708 -0.929 1.00 8.64 C ATOM 0 H LEU A 56 7.954 3.195 -3.365 1.00 6.91 H new ATOM 0 HA LEU A 56 8.057 2.927 -0.507 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.106 1.477 -2.994 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.166 0.765 -1.394 1.00 6.60 H new ATOM 0 HG LEU A 56 6.616 1.519 -2.908 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.204 -0.994 -3.070 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.702 -0.524 -3.908 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.782 -1.287 -2.303 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.407 0.286 -1.112 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.949 0.055 -0.254 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.291 1.694 -0.476 1.00 8.64 H new ATOM 904 N SER A 57 10.888 3.688 -1.884 1.00 8.92 N ATOM 905 CA SER A 57 12.186 4.230 -1.584 1.00 9.00 C ATOM 906 C SER A 57 12.076 5.458 -0.635 1.00 9.44 C ATOM 907 O SER A 57 12.728 5.513 0.421 1.00 10.91 O ATOM 908 CB SER A 57 13.051 4.568 -2.773 1.00 10.32 C ATOM 909 OG SER A 57 14.349 5.071 -2.385 1.00 13.59 O ATOM 0 H SER A 57 10.647 3.691 -2.875 1.00 8.92 H new ATOM 0 HA SER A 57 12.702 3.409 -1.085 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.179 3.679 -3.390 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.545 5.313 -3.387 1.00 10.32 H new ATOM 0 HG SER A 57 14.874 5.275 -3.187 1.00 13.59 H new ATOM 915 N ASP A 58 11.160 6.408 -0.923 1.00 9.11 N ATOM 916 CA ASP A 58 10.995 7.614 -0.199 1.00 7.91 C ATOM 917 C ASP A 58 10.746 7.335 1.339 1.00 9.12 C ATOM 918 O ASP A 58 11.409 8.005 2.166 1.00 8.61 O ATOM 919 CB ASP A 58 9.726 8.478 -0.572 1.00 8.41 C ATOM 920 CG ASP A 58 9.823 8.960 -2.029 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.093 8.112 -2.940 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.673 10.148 -2.368 1.00 10.05 O ATOM 0 H ASP A 58 10.508 6.319 -1.702 1.00 9.11 H new ATOM 0 HA ASP A 58 11.918 8.140 -0.444 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.821 7.886 -0.436 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.650 9.334 0.098 1.00 8.41 H new ATOM 927 N TYR A 59 9.848 6.355 1.674 1.00 7.97 N ATOM 928 CA TYR A 59 9.653 6.030 3.049 1.00 8.45 C ATOM 929 C TYR A 59 10.486 4.813 3.507 1.00 10.98 C ATOM 930 O TYR A 59 10.270 4.385 4.678 1.00 12.95 O ATOM 931 CB TYR A 59 8.127 5.663 3.296 1.00 7.94 C ATOM 932 CG TYR A 59 7.152 6.710 2.903 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.923 7.698 3.824 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.404 6.644 1.721 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.015 8.729 3.517 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.478 7.610 1.415 1.00 6.52 C ATOM 937 CZ TYR A 59 5.306 8.656 2.326 1.00 6.76 C ATOM 938 OH TYR A 59 4.157 9.465 2.095 1.00 7.63 O ATOM 0 H TYR A 59 9.288 5.819 1.011 1.00 7.97 H new ATOM 0 HA TYR A 59 9.968 6.906 3.616 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.896 4.750 2.747 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.990 5.441 4.354 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.434 7.686 4.776 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.558 5.820 1.040 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.873 9.559 4.194 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.903 7.563 0.502 1.00 6.52 H new ATOM 0 HH TYR A 59 4.246 10.307 2.588 1.00 7.63 H new ATOM 948 N ASN A 60 11.494 4.272 2.829 1.00 12.38 N ATOM 949 CA ASN A 60 12.478 3.379 3.383 1.00 13.94 C ATOM 950 C ASN A 60 11.967 1.956 3.677 1.00 14.16 C ATOM 951 O ASN A 60 12.330 1.300 4.644 1.00 14.26 O ATOM 952 CB ASN A 60 13.263 3.963 4.592 1.00 19.23 C ATOM 953 CG ASN A 60 13.800 5.288 4.198 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.335 6.333 4.665 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.851 5.368 3.367 1.00 24.09 N ATOM 0 H ASN A 60 11.644 4.459 1.838 1.00 12.38 H new ATOM 0 HA ASN A 60 13.193 3.278 2.566 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.609 4.060 5.459 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.074 3.294 4.878 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.249 6.278 3.134 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.252 4.519 2.969 1.00 24.09 H new ATOM 962 N ILE A 61 11.123 1.443 2.707 1.00 11.08 N ATOM 963 CA ILE A 61 10.478 0.156 2.751 1.00 11.78 C ATOM 964 C ILE A 61 11.361 -0.779 1.927 1.00 13.74 C ATOM 965 O ILE A 61 11.564 -0.596 0.724 1.00 14.60 O ATOM 966 CB ILE A 61 9.041 0.233 2.119 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.059 1.025 3.017 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.419 -1.210 1.940 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.989 1.736 2.293 1.00 11.42 C ATOM 0 H ILE A 61 10.893 1.966 1.862 1.00 11.08 H new ATOM 0 HA ILE A 61 10.360 -0.193 3.777 1.00 11.78 H new ATOM 0 HB ILE A 61 9.166 0.731 1.158 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.601 0.335 3.726 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.627 1.750 3.600 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.425 -1.126 1.501 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.057 -1.802 1.284 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.346 -1.698 2.912 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.353 2.260 3.006 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.432 2.455 1.604 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.390 1.018 1.732 1.00 11.42 H new ATOM 981 N GLN A 62 11.776 -1.885 2.527 1.00 13.97 N ATOM 982 CA GLN A 62 12.654 -2.846 1.949 1.00 15.52 C ATOM 983 C GLN A 62 12.029 -4.217 2.098 1.00 13.94 C ATOM 984 O GLN A 62 10.884 -4.309 2.571 1.00 12.15 O ATOM 985 CB GLN A 62 14.035 -2.841 2.654 1.00 19.53 C ATOM 986 CG GLN A 62 14.745 -1.514 2.587 1.00 26.38 C ATOM 987 CD GLN A 62 15.333 -1.198 1.261 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.504 -1.436 1.033 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.476 -0.738 0.255 1.00 32.71 N ATOM 0 H GLN A 62 11.486 -2.132 3.473 1.00 13.97 H new ATOM 0 HA GLN A 62 12.806 -2.597 0.899 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.900 -3.118 3.699 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.667 -3.604 2.201 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.042 -0.726 2.856 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.538 -1.502 3.334 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.497 -0.545 0.468 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.830 -0.596 -0.691 1.00 32.71 H new ATOM 998 N LYS A 63 12.688 -5.284 1.657 1.00 11.73 N ATOM 999 CA LYS A 63 12.007 -6.583 1.563 1.00 11.97 C ATOM 1000 C LYS A 63 11.592 -7.167 2.955 1.00 10.41 C ATOM 1001 O LYS A 63 12.199 -6.975 4.029 1.00 9.59 O ATOM 1002 CB LYS A 63 12.951 -7.546 0.795 1.00 13.73 C ATOM 1003 CG LYS A 63 14.185 -7.951 1.516 1.00 16.98 C ATOM 1004 CD LYS A 63 15.183 -8.783 0.728 1.00 20.19 C ATOM 1005 CE LYS A 63 15.769 -8.159 -0.542 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.736 -9.142 -1.077 1.00 25.97 N ATOM 0 H LYS A 63 13.665 -5.284 1.365 1.00 11.73 H new ATOM 0 HA LYS A 63 11.066 -6.455 1.028 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.391 -8.445 0.538 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.240 -7.071 -0.143 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.690 -7.049 1.863 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.894 -8.515 2.402 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.010 -9.036 1.392 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.698 -9.719 0.451 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.985 -7.949 -1.270 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.260 -7.212 -0.319 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.167 -8.767 -1.946 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.478 -9.319 -0.370 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.243 -10.032 -1.291 1.00 25.97 H new ATOM 1020 N GLU A 64 10.388 -7.687 2.919 1.00 10.04 N ATOM 1021 CA GLU A 64 9.609 -8.325 3.981 1.00 10.94 C ATOM 1022 C GLU A 64 8.987 -7.344 4.951 1.00 9.74 C ATOM 1023 O GLU A 64 8.501 -7.759 5.948 1.00 9.42 O ATOM 1024 CB GLU A 64 10.407 -9.443 4.641 1.00 18.31 C ATOM 1025 CG GLU A 64 10.767 -10.605 3.650 1.00 24.16 C ATOM 1026 CD GLU A 64 11.631 -11.613 4.342 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.124 -12.324 5.216 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.780 -11.780 3.852 1.00 31.72 O ATOM 0 H GLU A 64 9.860 -7.677 2.046 1.00 10.04 H new ATOM 0 HA GLU A 64 8.744 -8.795 3.514 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.326 -9.030 5.057 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.834 -9.848 5.475 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.856 -11.081 3.287 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.286 -10.205 2.779 1.00 24.16 H new ATOM 1035 N SER A 65 9.087 -6.044 4.628 1.00 6.85 N ATOM 1036 CA SER A 65 8.328 -4.940 5.245 1.00 6.90 C ATOM 1037 C SER A 65 6.827 -5.224 5.074 1.00 4.72 C ATOM 1038 O SER A 65 6.392 -5.706 4.019 1.00 3.91 O ATOM 1039 CB SER A 65 8.641 -3.553 4.627 1.00 7.28 C ATOM 1040 OG SER A 65 7.891 -2.441 5.136 1.00 10.56 O ATOM 0 H SER A 65 9.724 -5.719 3.901 1.00 6.85 H new ATOM 0 HA SER A 65 8.622 -4.896 6.294 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.701 -3.345 4.774 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.474 -3.613 3.552 1.00 7.28 H new ATOM 0 HG SER A 65 8.220 -2.206 6.029 1.00 10.56 H new ATOM 1046 N THR A 66 6.087 -4.848 6.142 1.00 4.48 N ATOM 1047 CA THR A 66 4.681 -5.102 6.261 1.00 3.80 C ATOM 1048 C THR A 66 3.971 -3.794 6.342 1.00 4.60 C ATOM 1049 O THR A 66 4.373 -2.896 7.112 1.00 5.33 O ATOM 1050 CB THR A 66 4.148 -5.864 7.498 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.795 -7.119 7.448 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.685 -6.198 7.451 1.00 3.40 C ATOM 0 H THR A 66 6.480 -4.354 6.943 1.00 4.48 H new ATOM 0 HA THR A 66 4.501 -5.736 5.393 1.00 3.80 H new ATOM 0 HB THR A 66 4.322 -5.239 8.374 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.508 -7.666 8.209 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.404 -6.731 8.360 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.104 -5.279 7.375 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.483 -6.827 6.584 1.00 3.40 H new ATOM 1060 N LEU A 67 2.905 -3.573 5.526 1.00 4.17 N ATOM 1061 CA LEU A 67 2.102 -2.356 5.446 1.00 3.85 C ATOM 1062 C LEU A 67 0.749 -2.620 6.052 1.00 3.80 C ATOM 1063 O LEU A 67 0.265 -3.725 6.126 1.00 5.54 O ATOM 1064 CB LEU A 67 1.821 -1.742 4.027 1.00 7.18 C ATOM 1065 CG LEU A 67 3.177 -1.572 3.204 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.984 -0.917 1.828 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.321 -0.832 3.937 1.00 11.66 C ATOM 0 H LEU A 67 2.578 -4.289 4.877 1.00 4.17 H new ATOM 0 HA LEU A 67 2.722 -1.629 5.970 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.135 -2.386 3.477 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.332 -0.774 4.135 1.00 7.18 H new ATOM 0 HG LEU A 67 3.484 -2.611 3.082 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.948 -0.834 1.326 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.312 -1.528 1.225 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.554 0.077 1.955 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.193 -0.774 3.285 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.995 0.175 4.197 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.582 -1.375 4.845 1.00 11.66 H new ATOM 1079 N HIS A 68 0.085 -1.493 6.462 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.354 -1.464 6.801 1.00 4.17 C ATOM 1081 C HIS A 68 -2.194 -0.833 5.683 1.00 5.32 C ATOM 1082 O HIS A 68 -1.794 0.106 5.014 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.439 -0.566 8.108 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.151 -1.432 9.278 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -1.891 -2.518 9.740 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.179 -1.211 10.216 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.345 -2.929 10.897 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.277 -2.173 11.209 1.00 16.30 N ATOM 0 H HIS A 68 0.543 -0.587 6.563 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.746 -2.471 6.943 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.722 0.254 8.055 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.429 -0.118 8.199 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.549 -0.414 10.187 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -1.712 -3.751 11.493 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.338 -2.285 12.015 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.380 -1.383 5.387 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.330 -0.940 4.369 1.00 3.97 C ATOM 1098 C LEU A 69 -5.705 -0.516 4.980 1.00 5.07 C ATOM 1099 O LEU A 69 -6.416 -1.399 5.450 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.621 -2.102 3.311 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.765 -2.003 2.287 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.532 -0.895 1.226 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.813 -3.387 1.678 1.00 9.96 C ATOM 0 H LEU A 69 -3.719 -2.204 5.889 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.864 -0.081 3.887 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.702 -2.248 2.743 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.790 -3.014 3.884 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.709 -1.713 2.748 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.372 -0.874 0.532 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.447 0.072 1.722 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.613 -1.104 0.678 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.602 -3.427 0.927 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.855 -3.612 1.209 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.016 -4.121 2.458 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.118 0.719 4.876 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.335 1.331 5.464 1.00 6.26 C ATOM 1117 C VAL A 70 -8.150 1.901 4.295 1.00 9.22 C ATOM 1118 O VAL A 70 -7.577 2.180 3.232 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.058 2.504 6.419 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.128 1.920 7.510 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.351 3.712 5.817 1.00 8.54 C ATOM 0 H VAL A 70 -5.584 1.401 4.337 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.839 0.556 6.041 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.022 2.882 6.758 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.883 2.698 8.233 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.634 1.099 8.018 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.212 1.552 7.048 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.211 4.472 6.586 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.380 3.408 5.427 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.955 4.121 5.008 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.475 1.940 4.389 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.388 2.063 3.217 1.00 16.06 C ATOM 1133 C LEU A 71 -11.378 3.192 3.464 1.00 18.09 C ATOM 1134 O LEU A 71 -12.221 3.073 4.334 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.180 0.759 2.991 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.384 -0.546 2.671 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.440 -1.662 2.382 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.377 -0.405 1.508 1.00 19.57 C ATOM 0 H LEU A 71 -9.967 1.888 5.281 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.781 2.268 2.335 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.777 0.574 3.884 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.878 0.932 2.172 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.760 -0.795 3.529 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.928 -2.597 2.152 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.072 -1.801 3.259 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.057 -1.368 1.533 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.867 -1.355 1.351 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.908 -0.124 0.599 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.644 0.364 1.752 1.00 19.57 H new