USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 119:sc= 0.855 USER MOD Set 1.2: A 57 SER OG : rot -85:sc= 1.11 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.208 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.169 X(o=0.038,f=0.08) USER MOD Single : A 1 MET CE :methyl 177:sc=-0.000815 (180deg=-0.0142) USER MOD Single : A 1 MET N :NH3+ -154:sc= 1.83 (180deg=1) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.0047) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.251 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -114:sc= 1.03 (180deg=-0.239!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 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 27 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.15) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= 1.22 (180deg=1.02) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 33 LYS NZ :NH3+ -160:sc= 0.442 (180deg=0.259) USER MOD Single : A 40 GLN : amide:sc= -0.127 K(o=-0.13,f=-1.5) USER MOD Single : A 41 GLN : amide:sc= 1.06 K(o=1.1,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0375 K(o=-0.037,f=-1.3!) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.123 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 63 LYS NZ :NH3+ 138:sc= 1.19 (180deg=0.318) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0923 K(o=0.092,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.468 -7.243 -5.349 1.00 9.67 N ATOM 2 CA MET A 1 11.389 -7.125 -3.879 1.00 10.38 C ATOM 3 C MET A 1 9.981 -7.515 -3.379 1.00 9.62 C ATOM 4 O MET A 1 8.924 -6.990 -3.726 1.00 9.62 O ATOM 5 CB MET A 1 11.851 -5.730 -3.489 1.00 13.77 C ATOM 6 CG MET A 1 11.855 -5.588 -1.981 1.00 16.29 C ATOM 7 SD MET A 1 12.503 -4.020 -1.407 1.00 17.17 S ATOM 8 CE MET A 1 10.970 -3.113 -1.385 1.00 16.11 C ATOM 0 H1 MET A 1 12.454 -7.415 -5.631 1.00 9.67 H new ATOM 0 H2 MET A 1 10.874 -8.035 -5.666 1.00 9.67 H new ATOM 0 H3 MET A 1 11.132 -6.361 -5.787 1.00 9.67 H new ATOM 0 HA MET A 1 12.056 -7.828 -3.380 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.851 -5.546 -3.882 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.192 -4.983 -3.931 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.837 -5.708 -1.611 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.447 -6.395 -1.550 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.147 -2.109 -0.999 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.571 -3.048 -2.397 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.253 -3.626 -0.745 1.00 16.11 H new ATOM 20 N GLN A 2 9.897 -8.490 -2.470 1.00 9.27 N ATOM 21 CA GLN A 2 8.670 -8.944 -1.954 1.00 9.07 C ATOM 22 C GLN A 2 8.275 -8.087 -0.743 1.00 8.72 C ATOM 23 O GLN A 2 9.105 -7.762 0.063 1.00 8.22 O ATOM 24 CB GLN A 2 8.901 -10.383 -1.472 1.00 14.46 C ATOM 25 CG GLN A 2 7.637 -11.007 -0.883 1.00 17.01 C ATOM 26 CD GLN A 2 7.782 -12.513 -0.570 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.909 -13.021 0.568 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.717 -13.351 -1.656 1.00 19.49 N ATOM 0 H GLN A 2 10.710 -8.972 -2.087 1.00 9.27 H new ATOM 0 HA GLN A 2 7.885 -8.886 -2.708 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.249 -10.992 -2.306 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.691 -10.390 -0.721 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.372 -10.478 0.032 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.812 -10.867 -1.582 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.614 -12.963 -2.594 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.772 -14.361 -1.525 1.00 19.49 H new ATOM 37 N ILE A 3 6.929 -7.736 -0.631 1.00 5.87 N ATOM 38 CA ILE A 3 6.421 -6.954 0.543 1.00 5.07 C ATOM 39 C ILE A 3 5.101 -7.543 0.934 1.00 4.01 C ATOM 40 O ILE A 3 4.532 -8.471 0.300 1.00 4.61 O ATOM 41 CB ILE A 3 6.286 -5.392 0.531 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.257 -4.954 -0.558 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.689 -4.746 0.254 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.978 -3.471 -0.625 1.00 10.83 C ATOM 0 H ILE A 3 6.216 -7.979 -1.319 1.00 5.87 H new ATOM 0 HA ILE A 3 7.251 -7.061 1.242 1.00 5.07 H new ATOM 0 HB ILE A 3 5.926 -5.051 1.502 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.621 -5.282 -1.531 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.317 -5.476 -0.377 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.594 -3.660 0.246 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.387 -5.043 1.036 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.061 -5.085 -0.713 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.251 -3.273 -1.413 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.578 -3.132 0.331 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.903 -2.936 -0.842 1.00 10.83 H new ATOM 56 N PHE A 4 4.595 -7.159 2.075 1.00 4.55 N ATOM 57 CA PHE A 4 3.422 -7.725 2.630 1.00 4.68 C ATOM 58 C PHE A 4 2.439 -6.571 2.839 1.00 5.30 C ATOM 59 O PHE A 4 2.805 -5.446 3.153 1.00 5.58 O ATOM 60 CB PHE A 4 3.572 -8.388 3.980 1.00 4.83 C ATOM 61 CG PHE A 4 4.533 -9.566 3.886 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.196 -10.599 2.956 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.736 -9.563 4.540 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.102 -11.661 2.737 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.635 -10.709 4.312 1.00 10.61 C ATOM 66 CZ PHE A 4 6.300 -11.711 3.419 1.00 8.90 C ATOM 0 H PHE A 4 5.007 -6.424 2.650 1.00 4.55 H new ATOM 0 HA PHE A 4 3.111 -8.505 1.935 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.941 -7.666 4.708 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.600 -8.730 4.335 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.256 -10.568 2.425 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.015 -8.753 5.197 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.855 -12.439 2.030 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.569 -10.767 4.850 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.979 -12.535 3.255 1.00 8.90 H new ATOM 76 N VAL A 5 1.093 -6.825 2.852 1.00 4.44 N ATOM 77 CA VAL A 5 0.090 -5.818 3.147 1.00 3.87 C ATOM 78 C VAL A 5 -0.735 -6.612 4.120 1.00 4.93 C ATOM 79 O VAL A 5 -1.059 -7.779 3.896 1.00 6.84 O ATOM 80 CB VAL A 5 -0.643 -5.257 1.897 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.956 -4.653 2.317 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.331 -4.258 1.290 1.00 9.13 C ATOM 0 H VAL A 5 0.700 -7.745 2.654 1.00 4.44 H new ATOM 0 HA VAL A 5 0.453 -4.870 3.544 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.903 -6.012 1.155 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.472 -4.259 1.441 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.574 -5.417 2.789 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.775 -3.845 3.026 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.112 -3.814 0.398 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.548 -3.474 2.016 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.255 -4.769 1.020 1.00 9.13 H new ATOM 92 N LYS A 6 -1.205 -5.989 5.224 1.00 6.04 N ATOM 93 CA LYS A 6 -2.150 -6.575 6.138 1.00 6.12 C ATOM 94 C LYS A 6 -3.428 -5.727 6.242 1.00 6.57 C ATOM 95 O LYS A 6 -3.429 -4.464 6.202 1.00 5.76 O ATOM 96 CB LYS A 6 -1.624 -6.914 7.537 1.00 7.45 C ATOM 97 CG LYS A 6 -2.538 -7.818 8.410 1.00 11.12 C ATOM 98 CD LYS A 6 -1.958 -7.933 9.830 1.00 14.54 C ATOM 99 CE LYS A 6 -2.559 -9.011 10.600 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.820 -9.312 11.873 1.00 20.55 N ATOM 0 H LYS A 6 -0.918 -5.047 5.490 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.371 -7.542 5.685 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.657 -7.405 7.430 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.450 -5.981 8.074 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.544 -7.401 8.451 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.622 -8.808 7.961 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.882 -8.095 9.766 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.108 -6.990 10.356 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -3.589 -8.747 10.839 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.594 -9.911 9.986 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.296 -10.088 12.376 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.844 -9.592 11.650 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.808 -8.465 12.476 1.00 20.55 H new ATOM 114 N THR A 7 -4.582 -6.370 6.129 1.00 7.41 N ATOM 115 CA THR A 7 -5.907 -5.716 6.037 1.00 7.48 C ATOM 116 C THR A 7 -6.520 -5.482 7.345 1.00 8.75 C ATOM 117 O THR A 7 -6.069 -6.045 8.352 1.00 8.58 O ATOM 118 CB THR A 7 -6.872 -6.499 5.071 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.422 -7.740 5.533 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.184 -6.789 3.735 1.00 9.17 C ATOM 0 H THR A 7 -4.638 -7.388 6.097 1.00 7.41 H new ATOM 0 HA THR A 7 -5.734 -4.731 5.604 1.00 7.48 H new ATOM 0 HB THR A 7 -7.712 -5.809 4.993 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.002 -8.119 4.840 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.869 -7.331 3.083 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.899 -5.850 3.261 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.294 -7.393 3.908 1.00 9.17 H new ATOM 128 N LEU A 8 -7.568 -4.690 7.426 1.00 9.84 N ATOM 129 CA LEU A 8 -8.251 -4.345 8.657 1.00 14.15 C ATOM 130 C LEU A 8 -8.731 -5.504 9.530 1.00 17.37 C ATOM 131 O LEU A 8 -8.582 -5.493 10.743 1.00 17.01 O ATOM 132 CB LEU A 8 -9.524 -3.495 8.235 1.00 16.63 C ATOM 133 CG LEU A 8 -9.031 -2.089 7.791 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.126 -1.306 7.053 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.558 -1.131 8.887 1.00 18.59 C ATOM 0 H LEU A 8 -7.984 -4.251 6.605 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.520 -3.822 9.274 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.059 -3.986 7.422 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.220 -3.410 9.069 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.176 -2.364 7.173 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.740 -0.329 6.760 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.431 -1.857 6.164 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.985 -1.174 7.711 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.243 -0.190 8.436 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.375 -0.944 9.584 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.719 -1.576 9.422 1.00 18.59 H new ATOM 147 N THR A 9 -9.301 -6.541 8.904 1.00 18.33 N ATOM 148 CA THR A 9 -9.765 -7.713 9.621 1.00 19.24 C ATOM 149 C THR A 9 -8.725 -8.767 9.844 1.00 19.48 C ATOM 150 O THR A 9 -9.026 -9.726 10.528 1.00 23.14 O ATOM 151 CB THR A 9 -10.914 -8.472 8.929 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.479 -8.903 7.591 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.186 -7.657 8.897 1.00 19.70 C ATOM 0 H THR A 9 -9.448 -6.582 7.896 1.00 18.33 H new ATOM 0 HA THR A 9 -10.082 -7.255 10.558 1.00 19.24 H new ATOM 0 HB THR A 9 -11.154 -9.363 9.509 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.208 -9.387 7.150 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.971 -8.228 8.401 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.495 -7.424 9.916 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.011 -6.730 8.351 1.00 19.70 H new ATOM 161 N GLY A 10 -7.547 -8.535 9.293 1.00 19.43 N ATOM 162 CA GLY A 10 -6.339 -9.122 9.633 1.00 18.74 C ATOM 163 C GLY A 10 -5.824 -10.004 8.568 1.00 17.62 C ATOM 164 O GLY A 10 -5.018 -10.862 8.833 1.00 19.74 O ATOM 0 H GLY A 10 -7.443 -7.865 8.531 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.606 -8.343 9.843 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.463 -9.698 10.550 1.00 18.74 H new ATOM 168 N LYS A 11 -6.228 -9.917 7.284 1.00 13.56 N ATOM 169 CA LYS A 11 -5.652 -10.850 6.266 1.00 11.91 C ATOM 170 C LYS A 11 -4.304 -10.385 5.682 1.00 10.18 C ATOM 171 O LYS A 11 -4.146 -9.216 5.367 1.00 9.10 O ATOM 172 CB LYS A 11 -6.647 -10.890 5.037 1.00 13.43 C ATOM 173 CG LYS A 11 -6.239 -12.113 4.094 1.00 16.69 C ATOM 174 CD LYS A 11 -7.346 -12.258 3.004 1.00 17.92 C ATOM 175 CE LYS A 11 -7.225 -11.172 1.948 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.981 -11.536 0.749 1.00 21.93 N ATOM 0 H LYS A 11 -6.914 -9.251 6.929 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.504 -11.805 6.771 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.674 -11.006 5.384 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.602 -9.953 4.482 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.268 -11.933 3.632 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.151 -13.031 4.675 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.269 -13.238 2.532 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.329 -12.206 3.472 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.595 -10.227 2.346 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.176 -11.021 1.692 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.324 -11.687 -0.043 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.515 -12.411 0.927 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.642 -10.770 0.509 1.00 21.93 H new ATOM 190 N THR A 12 -3.337 -11.308 5.554 1.00 9.63 N ATOM 191 CA THR A 12 -2.041 -11.025 5.018 1.00 9.85 C ATOM 192 C THR A 12 -1.970 -11.291 3.552 1.00 11.66 C ATOM 193 O THR A 12 -2.347 -12.366 3.132 1.00 12.33 O ATOM 194 CB THR A 12 -1.007 -11.846 5.693 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.128 -11.824 7.096 1.00 10.91 O ATOM 196 CG2 THR A 12 0.447 -11.282 5.521 1.00 9.63 C ATOM 0 H THR A 12 -3.459 -12.282 5.832 1.00 9.63 H new ATOM 0 HA THR A 12 -1.858 -9.965 5.192 1.00 9.85 H new ATOM 0 HB THR A 12 -1.158 -12.825 5.238 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.426 -12.380 7.494 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.153 -11.931 6.040 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.700 -11.244 4.461 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.500 -10.278 5.942 1.00 9.63 H new ATOM 204 N ILE A 13 -1.521 -10.325 2.724 1.00 10.42 N ATOM 205 CA ILE A 13 -1.210 -10.566 1.297 1.00 11.84 C ATOM 206 C ILE A 13 0.208 -10.207 0.910 1.00 10.55 C ATOM 207 O ILE A 13 0.786 -9.346 1.568 1.00 11.92 O ATOM 208 CB ILE A 13 -2.234 -9.908 0.398 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.169 -8.331 0.486 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.636 -10.531 0.687 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.951 -7.661 -0.637 1.00 16.46 C ATOM 0 H ILE A 13 -1.364 -9.362 3.022 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.275 -11.644 1.150 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.008 -10.113 -0.648 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.566 -8.005 1.448 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.129 -8.009 0.445 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.382 -10.063 0.044 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.606 -11.602 0.488 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.901 -10.363 1.731 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.878 -6.578 -0.536 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.538 -7.964 -1.599 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.997 -7.961 -0.581 1.00 16.46 H new ATOM 223 N THR A 14 0.720 -10.851 -0.066 1.00 9.39 N ATOM 224 CA THR A 14 2.119 -10.669 -0.511 1.00 9.63 C ATOM 225 C THR A 14 2.064 -9.986 -1.843 1.00 11.20 C ATOM 226 O THR A 14 1.253 -10.338 -2.737 1.00 11.63 O ATOM 227 CB THR A 14 2.696 -12.007 -0.773 1.00 10.38 C ATOM 228 OG1 THR A 14 2.356 -12.990 0.236 1.00 16.30 O ATOM 229 CG2 THR A 14 4.217 -11.812 -0.773 1.00 11.66 C ATOM 0 H THR A 14 0.203 -11.540 -0.612 1.00 9.39 H new ATOM 0 HA THR A 14 2.694 -10.115 0.231 1.00 9.63 H new ATOM 0 HB THR A 14 2.300 -12.387 -1.715 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.764 -13.850 0.005 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.706 -12.767 -0.962 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.493 -11.103 -1.553 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.534 -11.427 0.196 1.00 11.66 H new ATOM 237 N LEU A 15 3.010 -8.980 -2.053 1.00 8.29 N ATOM 238 CA LEU A 15 3.075 -8.343 -3.375 1.00 9.03 C ATOM 239 C LEU A 15 4.490 -8.391 -3.903 1.00 8.59 C ATOM 240 O LEU A 15 5.443 -8.730 -3.158 1.00 7.79 O ATOM 241 CB LEU A 15 2.581 -6.858 -3.505 1.00 11.08 C ATOM 242 CG LEU A 15 1.329 -6.652 -2.710 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.030 -5.179 -2.424 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.070 -7.239 -3.404 1.00 15.27 C ATOM 0 H LEU A 15 3.675 -8.637 -1.360 1.00 8.29 H new ATOM 0 HA LEU A 15 2.364 -8.934 -3.951 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.358 -6.178 -3.155 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.397 -6.620 -4.553 1.00 11.08 H new ATOM 0 HG LEU A 15 1.530 -7.179 -1.777 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.110 -5.100 -1.845 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.854 -4.744 -1.858 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.913 -4.642 -3.365 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.806 -7.059 -2.781 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.069 -6.759 -4.372 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.200 -8.312 -3.547 1.00 15.27 H new ATOM 256 N GLU A 16 4.706 -8.044 -5.184 1.00 11.04 N ATOM 257 CA GLU A 16 6.012 -7.921 -5.746 1.00 11.50 C ATOM 258 C GLU A 16 6.181 -6.537 -6.295 1.00 10.13 C ATOM 259 O GLU A 16 5.405 -5.972 -7.152 1.00 9.83 O ATOM 260 CB GLU A 16 6.093 -8.986 -6.825 1.00 17.22 C ATOM 261 CG GLU A 16 7.411 -8.995 -7.629 1.00 23.33 C ATOM 262 CD GLU A 16 8.635 -9.491 -6.909 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.624 -10.661 -6.475 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.613 -8.739 -6.774 1.00 28.90 O ATOM 0 H GLU A 16 3.954 -7.844 -5.844 1.00 11.04 H new ATOM 0 HA GLU A 16 6.810 -8.066 -5.018 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.960 -9.964 -6.361 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.263 -8.846 -7.517 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.265 -9.611 -8.516 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.607 -7.980 -7.974 1.00 23.33 H new ATOM 271 N VAL A 17 7.220 -5.838 -5.799 1.00 8.99 N ATOM 272 CA VAL A 17 7.436 -4.373 -5.950 1.00 8.85 C ATOM 273 C VAL A 17 8.932 -4.133 -6.043 1.00 8.04 C ATOM 274 O VAL A 17 9.780 -5.026 -6.106 1.00 8.99 O ATOM 275 CB VAL A 17 6.829 -3.597 -4.760 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.318 -3.905 -4.492 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.619 -3.820 -3.484 1.00 10.54 C ATOM 0 H VAL A 17 7.962 -6.287 -5.262 1.00 8.99 H new ATOM 0 HA VAL A 17 6.939 -4.013 -6.851 1.00 8.85 H new ATOM 0 HB VAL A 17 6.893 -2.551 -5.059 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.973 -3.319 -3.641 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.732 -3.645 -5.373 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.196 -4.966 -4.275 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.161 -3.258 -2.670 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.619 -4.882 -3.237 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.645 -3.481 -3.627 1.00 10.54 H new ATOM 287 N GLU A 18 9.315 -2.811 -6.102 1.00 7.29 N ATOM 288 CA GLU A 18 10.762 -2.510 -6.099 1.00 7.08 C ATOM 289 C GLU A 18 10.929 -1.037 -5.565 1.00 6.45 C ATOM 290 O GLU A 18 9.904 -0.300 -5.535 1.00 5.28 O ATOM 291 CB GLU A 18 11.361 -2.705 -7.495 1.00 10.28 C ATOM 292 CG GLU A 18 10.717 -1.872 -8.588 1.00 12.65 C ATOM 293 CD GLU A 18 11.580 -1.961 -9.823 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.754 -1.465 -9.799 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.147 -2.606 -10.749 1.00 14.33 O ATOM 0 H GLU A 18 8.688 -2.008 -6.148 1.00 7.29 H new ATOM 0 HA GLU A 18 11.308 -3.194 -5.449 1.00 7.08 H new ATOM 0 HB2 GLU A 18 12.424 -2.467 -7.455 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.280 -3.758 -7.765 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.712 -2.236 -8.800 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.619 -0.835 -8.267 1.00 12.65 H new ATOM 302 N PRO A 19 12.040 -0.632 -5.037 1.00 7.24 N ATOM 303 CA PRO A 19 12.161 0.601 -4.319 1.00 7.07 C ATOM 304 C PRO A 19 11.827 1.878 -5.050 1.00 6.65 C ATOM 305 O PRO A 19 11.208 2.778 -4.421 1.00 6.37 O ATOM 306 CB PRO A 19 13.657 0.544 -3.809 1.00 7.61 C ATOM 307 CG PRO A 19 13.919 -0.932 -3.625 1.00 8.16 C ATOM 308 CD PRO A 19 13.198 -1.505 -4.858 1.00 7.49 C ATOM 0 HA PRO A 19 11.405 0.661 -3.536 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.343 0.985 -4.532 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.782 1.092 -2.875 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.984 -1.166 -3.622 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.506 -1.312 -2.690 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.843 -1.495 -5.736 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.895 -2.540 -4.697 1.00 7.49 H new ATOM 316 N SER A 20 12.160 1.996 -6.308 1.00 6.80 N ATOM 317 CA SER A 20 11.944 3.130 -7.149 1.00 6.28 C ATOM 318 C SER A 20 10.493 3.126 -7.690 1.00 8.45 C ATOM 319 O SER A 20 10.093 4.030 -8.473 1.00 7.26 O ATOM 320 CB SER A 20 12.968 3.252 -8.353 1.00 8.57 C ATOM 321 OG SER A 20 12.670 2.319 -9.421 1.00 11.13 O ATOM 0 H SER A 20 12.626 1.237 -6.805 1.00 6.80 H new ATOM 0 HA SER A 20 12.114 4.003 -6.518 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.946 4.269 -8.745 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.979 3.073 -7.988 1.00 8.57 H new ATOM 0 HG SER A 20 13.323 2.429 -10.143 1.00 11.13 H new ATOM 327 N ASP A 21 9.619 2.155 -7.385 1.00 7.50 N ATOM 328 CA ASP A 21 8.217 2.121 -7.876 1.00 7.70 C ATOM 329 C ASP A 21 7.217 2.934 -6.895 1.00 7.08 C ATOM 330 O ASP A 21 7.533 3.137 -5.723 1.00 8.11 O ATOM 331 CB ASP A 21 7.733 0.656 -8.154 1.00 11.00 C ATOM 332 CG ASP A 21 6.420 0.576 -8.928 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.132 1.461 -9.785 1.00 18.03 O ATOM 334 OD2 ASP A 21 5.736 -0.491 -8.792 1.00 14.36 O ATOM 0 H ASP A 21 9.858 1.363 -6.788 1.00 7.50 H new ATOM 0 HA ASP A 21 8.195 2.639 -8.835 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.506 0.128 -8.713 1.00 11.00 H new ATOM 0 HB3 ASP A 21 7.616 0.136 -7.203 1.00 11.00 H new ATOM 339 N THR A 22 6.065 3.462 -7.411 1.00 5.37 N ATOM 340 CA THR A 22 5.313 4.330 -6.534 1.00 6.01 C ATOM 341 C THR A 22 4.307 3.567 -5.617 1.00 8.01 C ATOM 342 O THR A 22 4.004 2.406 -5.789 1.00 8.11 O ATOM 343 CB THR A 22 4.437 5.463 -7.203 1.00 8.92 C ATOM 344 OG1 THR A 22 3.543 5.002 -8.207 1.00 10.22 O ATOM 345 CG2 THR A 22 5.413 6.461 -7.950 1.00 9.65 C ATOM 0 H THR A 22 5.686 3.306 -8.345 1.00 5.37 H new ATOM 0 HA THR A 22 6.142 4.786 -5.993 1.00 6.01 H new ATOM 0 HB THR A 22 3.856 5.904 -6.393 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.039 5.760 -8.569 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.832 7.254 -8.421 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.107 6.897 -7.232 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.973 5.920 -8.712 1.00 9.65 H new ATOM 353 N ILE A 23 3.810 4.315 -4.535 1.00 8.32 N ATOM 354 CA ILE A 23 2.806 3.879 -3.556 1.00 9.92 C ATOM 355 C ILE A 23 1.510 3.600 -4.261 1.00 10.01 C ATOM 356 O ILE A 23 0.780 2.677 -3.932 1.00 8.71 O ATOM 357 CB ILE A 23 2.599 4.932 -2.462 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.928 5.283 -1.758 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.484 4.558 -1.488 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.492 4.122 -0.991 1.00 12.30 C ATOM 0 H ILE A 23 4.136 5.264 -4.352 1.00 8.32 H new ATOM 0 HA ILE A 23 3.165 2.969 -3.075 1.00 9.92 H new ATOM 0 HB ILE A 23 2.256 5.843 -2.953 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.654 5.611 -2.501 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.766 6.120 -1.079 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.382 5.339 -0.735 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.545 4.453 -2.032 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.728 3.614 -1.001 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.426 4.420 -0.515 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.779 3.809 -0.228 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.681 3.293 -1.673 1.00 12.30 H new ATOM 372 N GLU A 24 1.155 4.368 -5.298 1.00 9.54 N ATOM 373 CA GLU A 24 0.124 4.141 -6.228 1.00 11.81 C ATOM 374 C GLU A 24 0.102 2.911 -7.052 1.00 11.14 C ATOM 375 O GLU A 24 -0.936 2.258 -7.204 1.00 10.62 O ATOM 376 CB GLU A 24 0.043 5.436 -7.137 1.00 19.24 C ATOM 377 CG GLU A 24 -1.005 5.516 -8.209 1.00 27.76 C ATOM 378 CD GLU A 24 -1.107 6.928 -8.658 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.134 7.427 -9.282 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.148 7.644 -8.410 1.00 34.80 O ATOM 0 H GLU A 24 1.650 5.238 -5.496 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.753 3.946 -5.611 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.098 6.292 -6.477 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.013 5.560 -7.617 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.742 4.870 -9.046 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.965 5.169 -7.828 1.00 27.76 H new ATOM 387 N ASN A 25 1.269 2.579 -7.695 1.00 9.43 N ATOM 388 CA ASN A 25 1.600 1.248 -8.347 1.00 10.96 C ATOM 389 C ASN A 25 1.491 0.082 -7.363 1.00 9.68 C ATOM 390 O ASN A 25 1.090 -1.081 -7.679 1.00 9.33 O ATOM 391 CB ASN A 25 3.000 1.337 -9.002 1.00 16.78 C ATOM 392 CG ASN A 25 3.033 1.978 -10.377 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.395 1.344 -11.378 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.718 3.263 -10.352 1.00 24.70 N ATOM 0 H ASN A 25 2.035 3.247 -7.781 1.00 9.43 H new ATOM 0 HA ASN A 25 0.864 1.043 -9.124 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.657 1.901 -8.340 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.412 0.331 -9.078 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.764 3.816 -11.208 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.430 3.700 -9.477 1.00 24.70 H new ATOM 401 N VAL A 26 1.683 0.360 -6.036 1.00 6.52 N ATOM 402 CA VAL A 26 1.413 -0.609 -4.969 1.00 5.53 C ATOM 403 C VAL A 26 -0.113 -0.824 -4.818 1.00 4.42 C ATOM 404 O VAL A 26 -0.537 -1.937 -4.590 1.00 3.40 O ATOM 405 CB VAL A 26 1.940 -0.312 -3.586 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.748 -1.538 -2.610 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.419 0.001 -3.533 1.00 8.12 C ATOM 0 H VAL A 26 2.027 1.259 -5.697 1.00 6.52 H new ATOM 0 HA VAL A 26 1.963 -1.483 -5.317 1.00 5.53 H new ATOM 0 HB VAL A 26 1.362 0.562 -3.286 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.140 -1.284 -1.625 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.687 -1.775 -2.528 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.284 -2.402 -3.002 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.712 0.202 -2.502 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.985 -0.850 -3.912 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.628 0.877 -4.147 1.00 8.12 H new ATOM 417 N LYS A 27 -0.965 0.261 -4.916 1.00 2.64 N ATOM 418 CA LYS A 27 -2.430 0.141 -4.886 1.00 4.14 C ATOM 419 C LYS A 27 -3.010 -0.589 -6.109 1.00 5.58 C ATOM 420 O LYS A 27 -4.130 -1.130 -6.047 1.00 4.11 O ATOM 421 CB LYS A 27 -3.105 1.546 -4.673 1.00 3.97 C ATOM 422 CG LYS A 27 -2.464 2.198 -3.412 1.00 7.45 C ATOM 423 CD LYS A 27 -3.291 3.454 -2.965 1.00 9.02 C ATOM 424 CE LYS A 27 -2.541 4.285 -1.919 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.231 5.511 -1.582 1.00 15.47 N ATOM 0 H LYS A 27 -0.635 1.221 -5.016 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.670 -0.489 -4.029 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.954 2.178 -5.548 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.181 1.436 -4.541 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.425 1.472 -2.600 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.436 2.490 -3.628 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.509 4.074 -3.834 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.248 3.132 -2.555 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.405 3.689 -1.016 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.546 4.524 -2.296 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.690 6.026 -0.859 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.323 6.103 -2.432 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.177 5.287 -1.212 1.00 15.47 H new ATOM 439 N ALA A 28 -2.288 -0.526 -7.276 1.00 6.61 N ATOM 440 CA ALA A 28 -2.610 -1.269 -8.440 1.00 7.74 C ATOM 441 C ALA A 28 -2.471 -2.761 -8.278 1.00 9.17 C ATOM 442 O ALA A 28 -3.345 -3.563 -8.724 1.00 11.45 O ATOM 443 CB ALA A 28 -1.715 -0.700 -9.613 1.00 7.68 C ATOM 0 H ALA A 28 -1.464 0.065 -7.386 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.669 -1.142 -8.663 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.930 -1.245 -10.532 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.935 0.358 -9.758 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.662 -0.820 -9.358 1.00 7.68 H new ATOM 449 N LYS A 29 -1.314 -3.159 -7.750 1.00 8.96 N ATOM 450 CA LYS A 29 -1.068 -4.513 -7.240 1.00 7.90 C ATOM 451 C LYS A 29 -2.077 -5.007 -6.175 1.00 6.92 C ATOM 452 O LYS A 29 -2.533 -6.113 -6.247 1.00 6.87 O ATOM 453 CB LYS A 29 0.251 -4.602 -6.534 1.00 10.28 C ATOM 454 CG LYS A 29 1.500 -4.421 -7.418 1.00 14.94 C ATOM 455 CD LYS A 29 1.760 -5.550 -8.387 1.00 19.69 C ATOM 456 CE LYS A 29 2.613 -5.172 -9.541 1.00 22.63 C ATOM 457 NZ LYS A 29 3.897 -4.629 -9.082 1.00 24.98 N ATOM 0 H LYS A 29 -0.507 -2.542 -7.662 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.136 -5.119 -8.144 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.273 -3.846 -5.749 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.314 -5.573 -6.044 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.397 -3.494 -7.982 1.00 14.94 H new ATOM 0 HG3 LYS A 29 2.371 -4.307 -6.773 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.235 -6.372 -7.852 1.00 19.69 H new ATOM 0 HD3 LYS A 29 0.806 -5.922 -8.760 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.786 -6.043 -10.172 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.098 -4.432 -10.153 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.558 -4.577 -9.883 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.751 -3.676 -8.691 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.293 -5.248 -8.346 1.00 24.98 H new ATOM 471 N ILE A 30 -2.476 -4.234 -5.180 1.00 4.57 N ATOM 472 CA ILE A 30 -3.557 -4.579 -4.316 1.00 5.58 C ATOM 473 C ILE A 30 -4.903 -4.743 -5.113 1.00 7.26 C ATOM 474 O ILE A 30 -5.690 -5.621 -4.816 1.00 9.46 O ATOM 475 CB ILE A 30 -3.745 -3.636 -3.114 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.446 -3.524 -2.280 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.028 -4.046 -2.299 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.611 -2.562 -1.139 1.00 2.00 C ATOM 0 H ILE A 30 -2.042 -3.338 -4.958 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.275 -5.542 -3.890 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.931 -2.620 -3.464 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.174 -4.506 -1.894 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.628 -3.195 -2.920 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.151 -3.372 -1.451 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.905 -3.982 -2.944 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.918 -5.068 -1.937 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.681 -2.506 -0.573 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.859 -1.575 -1.529 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.413 -2.906 -0.486 1.00 2.00 H new ATOM 490 N GLN A 31 -5.151 -3.929 -6.139 1.00 7.06 N ATOM 491 CA GLN A 31 -6.293 -4.050 -7.027 1.00 8.67 C ATOM 492 C GLN A 31 -6.288 -5.323 -7.873 1.00 10.90 C ATOM 493 O GLN A 31 -7.268 -6.027 -7.861 1.00 9.63 O ATOM 494 CB GLN A 31 -6.502 -2.814 -7.929 1.00 9.12 C ATOM 495 CG GLN A 31 -7.859 -2.866 -8.691 1.00 10.76 C ATOM 496 CD GLN A 31 -8.081 -1.686 -9.667 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.176 -0.994 -10.048 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.353 -1.397 -9.907 1.00 14.76 N ATOM 0 H GLN A 31 -4.541 -3.147 -6.377 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.141 -4.116 -6.346 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.463 -1.911 -7.320 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.685 -2.749 -8.648 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.914 -3.801 -9.249 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.671 -2.880 -7.964 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.090 -2.014 -9.564 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.595 -0.558 -10.435 1.00 14.76 H new ATOM 507 N ASP A 32 -5.138 -5.731 -8.399 1.00 10.93 N ATOM 508 CA ASP A 32 -5.021 -6.991 -9.081 1.00 14.01 C ATOM 509 C ASP A 32 -5.311 -8.180 -8.188 1.00 14.04 C ATOM 510 O ASP A 32 -5.989 -9.184 -8.477 1.00 13.39 O ATOM 511 CB ASP A 32 -3.618 -7.059 -9.666 1.00 18.01 C ATOM 512 CG ASP A 32 -3.534 -8.287 -10.597 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.427 -8.488 -11.469 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.539 -9.047 -10.482 1.00 25.17 O ATOM 0 H ASP A 32 -4.272 -5.193 -8.359 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.773 -7.045 -9.868 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.394 -6.148 -10.220 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.879 -7.137 -8.869 1.00 18.01 H new ATOM 519 N LYS A 33 -4.824 -8.146 -6.949 1.00 14.22 N ATOM 520 CA LYS A 33 -5.089 -9.164 -5.906 1.00 14.00 C ATOM 521 C LYS A 33 -6.542 -9.217 -5.415 1.00 12.37 C ATOM 522 O LYS A 33 -7.181 -10.281 -5.419 1.00 12.17 O ATOM 523 CB LYS A 33 -4.128 -8.772 -4.762 1.00 18.62 C ATOM 524 CG LYS A 33 -3.909 -9.819 -3.693 1.00 24.00 C ATOM 525 CD LYS A 33 -2.995 -11.051 -3.936 1.00 27.61 C ATOM 526 CE LYS A 33 -1.514 -10.769 -3.853 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.728 -12.027 -3.966 1.00 30.06 N ATOM 0 H LYS A 33 -4.217 -7.394 -6.623 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.928 -10.167 -6.301 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.161 -8.518 -5.197 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.511 -7.869 -4.286 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.516 -9.301 -2.819 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.892 -10.203 -3.420 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.245 -11.821 -3.206 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.217 -11.462 -4.921 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.225 -10.082 -4.649 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.286 -10.276 -2.908 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.225 -11.877 -3.578 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.204 -12.783 -3.433 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.656 -12.302 -4.966 1.00 30.06 H new ATOM 541 N GLU A 34 -7.137 -8.088 -4.998 1.00 10.11 N ATOM 542 CA GLU A 34 -8.329 -8.058 -4.176 1.00 10.07 C ATOM 543 C GLU A 34 -9.481 -7.344 -4.877 1.00 9.32 C ATOM 544 O GLU A 34 -10.598 -7.426 -4.442 1.00 11.61 O ATOM 545 CB GLU A 34 -8.062 -7.279 -2.893 1.00 14.77 C ATOM 546 CG GLU A 34 -7.061 -7.967 -2.003 1.00 18.75 C ATOM 547 CD GLU A 34 -7.607 -9.232 -1.353 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.640 -9.245 -0.557 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.863 -10.238 -1.374 1.00 25.19 O ATOM 0 H GLU A 34 -6.786 -7.160 -5.234 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.593 -9.096 -3.975 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.697 -6.283 -3.145 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.998 -7.147 -2.349 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.177 -8.219 -2.588 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.741 -7.275 -1.224 1.00 18.75 H new ATOM 556 N GLY A 35 -9.282 -6.632 -5.988 1.00 7.22 N ATOM 557 CA GLY A 35 -10.366 -5.985 -6.736 1.00 6.29 C ATOM 558 C GLY A 35 -10.816 -4.637 -6.260 1.00 6.93 C ATOM 559 O GLY A 35 -11.812 -4.076 -6.716 1.00 7.41 O ATOM 0 H GLY A 35 -8.359 -6.486 -6.398 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.049 -5.888 -7.774 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.228 -6.652 -6.727 1.00 6.29 H new ATOM 563 N ILE A 36 -10.091 -3.982 -5.315 1.00 5.86 N ATOM 564 CA ILE A 36 -10.412 -2.642 -4.801 1.00 6.07 C ATOM 565 C ILE A 36 -9.716 -1.495 -5.533 1.00 6.36 C ATOM 566 O ILE A 36 -8.490 -1.478 -5.588 1.00 6.18 O ATOM 567 CB ILE A 36 -9.884 -2.614 -3.301 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.485 -3.790 -2.499 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.314 -1.308 -2.701 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.998 -3.856 -1.021 1.00 9.49 C ATOM 0 H ILE A 36 -9.256 -4.384 -4.888 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.484 -2.489 -4.923 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.799 -2.713 -3.275 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.572 -3.708 -2.510 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.231 -4.725 -2.998 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.969 -1.251 -1.669 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.884 -0.486 -3.273 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.401 -1.237 -2.725 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.463 -4.707 -0.523 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.914 -3.970 -1.000 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.276 -2.937 -0.505 1.00 9.49 H new ATOM 582 N PRO A 37 -10.447 -0.547 -6.119 1.00 8.65 N ATOM 583 CA PRO A 37 -9.797 0.579 -6.706 1.00 9.18 C ATOM 584 C PRO A 37 -8.872 1.402 -5.801 1.00 9.85 C ATOM 585 O PRO A 37 -9.323 1.675 -4.712 1.00 8.51 O ATOM 586 CB PRO A 37 -11.025 1.405 -7.299 1.00 11.42 C ATOM 587 CG PRO A 37 -12.063 0.269 -7.580 1.00 9.27 C ATOM 588 CD PRO A 37 -11.905 -0.534 -6.311 1.00 8.33 C ATOM 0 HA PRO A 37 -9.063 0.266 -7.448 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.405 2.140 -6.590 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.755 1.946 -8.206 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.076 0.650 -7.711 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -11.821 -0.307 -8.473 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.420 -0.069 -5.470 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.309 -1.541 -6.415 1.00 8.33 H new ATOM 596 N PRO A 38 -7.668 1.897 -6.219 1.00 8.71 N ATOM 597 CA PRO A 38 -6.774 2.763 -5.382 1.00 9.08 C ATOM 598 C PRO A 38 -7.491 3.920 -4.769 1.00 9.28 C ATOM 599 O PRO A 38 -7.154 4.273 -3.676 1.00 6.50 O ATOM 600 CB PRO A 38 -5.693 3.197 -6.385 1.00 10.31 C ATOM 601 CG PRO A 38 -5.490 2.065 -7.346 1.00 10.81 C ATOM 602 CD PRO A 38 -6.923 1.390 -7.431 1.00 12.00 C ATOM 0 HA PRO A 38 -6.369 2.242 -4.514 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.001 4.099 -6.914 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.763 3.433 -5.868 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.156 2.421 -8.320 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.737 1.364 -6.987 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.435 1.666 -8.353 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.848 0.303 -7.422 1.00 12.00 H new ATOM 610 N ASP A 39 -8.543 4.439 -5.458 1.00 11.20 N ATOM 611 CA ASP A 39 -9.424 5.386 -4.911 1.00 14.96 C ATOM 612 C ASP A 39 -10.065 5.109 -3.503 1.00 13.99 C ATOM 613 O ASP A 39 -10.461 6.052 -2.831 1.00 13.75 O ATOM 614 CB ASP A 39 -10.534 5.690 -5.961 1.00 24.16 C ATOM 615 CG ASP A 39 -10.028 6.042 -7.381 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.485 7.175 -7.505 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.266 5.263 -8.360 1.00 35.55 O ATOM 0 H ASP A 39 -8.766 4.178 -6.418 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.782 6.239 -4.693 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.190 4.822 -6.032 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.140 6.518 -5.594 1.00 24.16 H new ATOM 622 N GLN A 40 -10.174 3.824 -3.073 1.00 11.60 N ATOM 623 CA GLN A 40 -10.832 3.367 -1.905 1.00 10.76 C ATOM 624 C GLN A 40 -9.873 2.958 -0.876 1.00 8.01 C ATOM 625 O GLN A 40 -10.303 2.545 0.166 1.00 8.96 O ATOM 626 CB GLN A 40 -11.697 2.182 -2.267 1.00 11.14 C ATOM 627 CG GLN A 40 -12.962 2.520 -3.012 1.00 14.85 C ATOM 628 CD GLN A 40 -13.769 1.229 -3.327 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.445 0.119 -2.854 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.742 1.362 -4.337 1.00 18.16 N ATOM 0 H GLN A 40 -9.761 3.055 -3.600 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.435 4.183 -1.506 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.109 1.494 -2.874 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.963 1.652 -1.352 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.571 3.201 -2.417 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.718 3.039 -3.939 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.980 2.286 -4.698 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.209 0.534 -4.707 1.00 18.16 H new ATOM 639 N GLN A 41 -8.560 2.973 -1.195 1.00 6.52 N ATOM 640 CA GLN A 41 -7.502 2.509 -0.390 1.00 3.87 C ATOM 641 C GLN A 41 -6.721 3.666 0.202 1.00 4.79 C ATOM 642 O GLN A 41 -6.172 4.541 -0.497 1.00 6.34 O ATOM 643 CB GLN A 41 -6.480 1.751 -1.247 1.00 4.20 C ATOM 644 CG GLN A 41 -7.061 0.492 -1.962 1.00 3.20 C ATOM 645 CD GLN A 41 -5.983 -0.110 -2.866 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.822 -0.087 -2.514 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.376 -0.627 -4.048 1.00 7.13 N ATOM 0 H GLN A 41 -8.232 3.341 -2.088 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.951 1.884 0.382 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.077 2.430 -1.999 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.647 1.445 -0.615 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.387 -0.242 -1.225 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.937 0.764 -2.551 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.364 -0.625 -4.302 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.685 -1.020 -4.688 1.00 7.13 H new ATOM 656 N ARG A 42 -6.504 3.640 1.529 1.00 5.73 N ATOM 657 CA ARG A 42 -5.516 4.449 2.256 1.00 6.97 C ATOM 658 C ARG A 42 -4.383 3.580 2.665 1.00 7.15 C ATOM 659 O ARG A 42 -4.582 2.386 2.929 1.00 7.33 O ATOM 660 CB ARG A 42 -6.043 5.171 3.454 1.00 13.23 C ATOM 661 CG ARG A 42 -7.006 6.284 3.121 1.00 21.27 C ATOM 662 CD ARG A 42 -7.213 7.286 4.218 1.00 26.14 C ATOM 663 NE ARG A 42 -7.957 8.428 3.583 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.221 8.810 3.814 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.017 8.098 4.565 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.705 9.833 3.112 1.00 36.39 N ATOM 0 H ARG A 42 -7.036 3.028 2.148 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.203 5.228 1.561 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.542 4.455 4.107 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.205 5.584 4.015 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.644 6.806 2.235 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.970 5.846 2.861 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.783 6.855 5.041 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.261 7.619 4.630 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.439 8.976 2.896 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.680 7.233 4.989 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.975 8.406 4.728 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.118 10.301 2.422 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.663 10.148 3.264 1.00 36.39 H new ATOM 680 N LEU A 43 -3.112 4.020 2.716 1.00 4.65 N ATOM 681 CA LEU A 43 -2.118 3.112 3.362 1.00 3.51 C ATOM 682 C LEU A 43 -1.446 3.774 4.578 1.00 5.56 C ATOM 683 O LEU A 43 -1.153 4.968 4.535 1.00 4.19 O ATOM 684 CB LEU A 43 -0.945 2.683 2.426 1.00 3.74 C ATOM 685 CG LEU A 43 -1.218 1.618 1.371 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.079 1.199 0.681 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.899 0.319 1.841 1.00 6.41 C ATOM 0 H LEU A 43 -2.761 4.909 2.359 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.714 2.242 3.638 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.585 3.575 1.913 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.130 2.327 3.056 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.925 2.123 0.713 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.137 0.438 -0.069 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.531 2.066 0.199 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.770 0.794 1.420 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.033 -0.350 0.991 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.275 -0.168 2.591 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.871 0.554 2.275 1.00 6.41 H new ATOM 699 N ILE A 44 -1.094 2.991 5.614 1.00 4.58 N ATOM 700 CA ILE A 44 -0.388 3.430 6.768 1.00 5.55 C ATOM 701 C ILE A 44 0.827 2.481 7.030 1.00 5.46 C ATOM 702 O ILE A 44 0.692 1.287 7.141 1.00 6.04 O ATOM 703 CB ILE A 44 -1.269 3.482 8.006 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.450 4.405 7.719 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.473 3.870 9.279 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.434 4.587 8.933 1.00 13.90 C ATOM 0 H ILE A 44 -1.317 1.996 5.643 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.044 4.445 6.572 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.656 2.487 8.226 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.069 5.383 7.424 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.007 4.010 6.870 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.146 3.894 10.136 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.313 3.135 9.455 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.025 4.854 9.142 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.245 5.257 8.647 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.846 3.618 9.216 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.894 5.012 9.779 1.00 13.90 H new ATOM 718 N PHE A 45 2.006 2.988 7.157 1.00 6.75 N ATOM 719 CA PHE A 45 3.166 2.260 7.572 1.00 4.70 C ATOM 720 C PHE A 45 3.919 3.325 8.295 1.00 6.34 C ATOM 721 O PHE A 45 3.996 4.495 7.870 1.00 5.45 O ATOM 722 CB PHE A 45 4.030 1.690 6.408 1.00 5.51 C ATOM 723 CG PHE A 45 5.399 1.148 6.758 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.392 -0.012 7.521 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.609 1.746 6.425 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.624 -0.500 7.997 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.774 1.168 6.650 1.00 6.64 C ATOM 728 CZ PHE A 45 7.872 0.016 7.514 1.00 6.84 C ATOM 0 H PHE A 45 2.201 3.971 6.965 1.00 6.75 H new ATOM 0 HA PHE A 45 2.907 1.370 8.146 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.464 0.891 5.928 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.159 2.479 5.667 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.468 -0.525 7.743 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.595 2.722 5.964 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.629 -1.281 8.743 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.664 1.562 6.182 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.821 -0.427 7.779 1.00 6.84 H new ATOM 738 N ALA A 46 4.515 2.861 9.441 1.00 6.53 N ATOM 739 CA ALA A 46 5.386 3.645 10.280 1.00 7.15 C ATOM 740 C ALA A 46 4.768 4.828 10.963 1.00 9.00 C ATOM 741 O ALA A 46 5.374 5.898 11.023 1.00 11.15 O ATOM 742 CB ALA A 46 6.584 4.026 9.438 1.00 8.99 C ATOM 0 H ALA A 46 4.379 1.910 9.784 1.00 6.53 H new ATOM 0 HA ALA A 46 5.666 3.025 11.132 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.273 4.623 10.035 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.089 3.123 9.095 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.254 4.607 8.577 1.00 8.99 H new ATOM 748 N GLY A 47 3.501 4.711 11.386 1.00 9.35 N ATOM 749 CA GLY A 47 2.670 5.698 12.017 1.00 11.68 C ATOM 750 C GLY A 47 2.126 6.761 11.057 1.00 11.14 C ATOM 751 O GLY A 47 1.593 7.756 11.524 1.00 13.93 O ATOM 0 H GLY A 47 3.001 3.829 11.275 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.832 5.197 12.500 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.242 6.191 12.803 1.00 11.68 H new ATOM 755 N LYS A 48 2.245 6.479 9.726 1.00 10.47 N ATOM 756 CA LYS A 48 2.082 7.539 8.784 1.00 8.82 C ATOM 757 C LYS A 48 1.337 7.117 7.565 1.00 7.68 C ATOM 758 O LYS A 48 1.596 6.049 7.052 1.00 6.47 O ATOM 759 CB LYS A 48 3.417 7.977 8.219 1.00 9.74 C ATOM 760 CG LYS A 48 4.270 8.780 9.220 1.00 14.14 C ATOM 761 CD LYS A 48 5.662 9.094 8.671 1.00 16.32 C ATOM 762 CE LYS A 48 6.595 7.957 8.448 1.00 20.04 C ATOM 763 NZ LYS A 48 7.877 8.511 7.876 1.00 23.92 N ATOM 0 H LYS A 48 2.444 5.560 9.331 1.00 10.47 H new ATOM 0 HA LYS A 48 1.560 8.315 9.344 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.975 7.096 7.901 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.246 8.584 7.330 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.759 9.711 9.465 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.366 8.216 10.148 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.537 9.615 7.722 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.143 9.791 9.357 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.790 7.435 9.385 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.155 7.231 7.764 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.548 7.734 7.711 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.676 8.992 6.976 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.292 9.189 8.546 1.00 23.92 H new ATOM 777 N GLN A 49 0.464 8.027 7.055 1.00 8.89 N ATOM 778 CA GLN A 49 -0.158 7.844 5.801 1.00 7.18 C ATOM 779 C GLN A 49 0.654 8.107 4.546 1.00 8.23 C ATOM 780 O GLN A 49 1.217 9.160 4.366 1.00 9.70 O ATOM 781 CB GLN A 49 -1.454 8.677 5.913 1.00 11.67 C ATOM 782 CG GLN A 49 -2.485 8.379 4.813 1.00 15.82 C ATOM 783 CD GLN A 49 -3.700 9.269 5.124 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.993 9.617 6.257 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.406 9.701 4.081 1.00 20.67 N ATOM 0 H GLN A 49 0.201 8.890 7.532 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.330 6.781 5.632 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.911 8.491 6.885 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.197 9.736 5.879 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.079 8.602 3.826 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.762 7.325 4.813 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.155 9.406 3.138 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.198 10.327 4.225 1.00 20.67 H new ATOM 794 N LEU A 50 0.811 7.037 3.776 1.00 6.51 N ATOM 795 CA LEU A 50 1.626 7.027 2.601 1.00 7.41 C ATOM 796 C LEU A 50 0.864 7.646 1.382 1.00 8.27 C ATOM 797 O LEU A 50 -0.340 7.346 1.196 1.00 8.34 O ATOM 798 CB LEU A 50 2.024 5.586 2.111 1.00 7.13 C ATOM 799 CG LEU A 50 2.659 4.744 3.195 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.896 3.316 2.584 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.974 5.301 3.812 1.00 9.11 C ATOM 0 H LEU A 50 0.360 6.142 3.968 1.00 6.51 H new ATOM 0 HA LEU A 50 2.510 7.592 2.896 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.135 5.077 1.738 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.717 5.672 1.274 1.00 7.13 H new ATOM 0 HG LEU A 50 1.972 4.737 4.041 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.355 2.671 3.334 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.942 2.890 2.274 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.556 3.395 1.720 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.337 4.614 4.577 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.727 5.405 3.031 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.781 6.275 4.261 1.00 9.11 H new ATOM 813 N GLU A 51 1.529 8.490 0.656 1.00 9.43 N ATOM 814 CA GLU A 51 1.020 9.305 -0.453 1.00 11.90 C ATOM 815 C GLU A 51 1.430 8.806 -1.860 1.00 11.49 C ATOM 816 O GLU A 51 2.632 8.588 -2.128 1.00 9.88 O ATOM 817 CB GLU A 51 1.568 10.745 -0.274 1.00 16.56 C ATOM 818 CG GLU A 51 1.098 11.749 -1.391 1.00 26.06 C ATOM 819 CD GLU A 51 1.697 13.107 -1.158 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.226 13.806 -0.217 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.665 13.466 -1.875 1.00 32.13 O ATOM 0 H GLU A 51 2.522 8.655 0.820 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.068 9.248 -0.411 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.253 11.125 0.698 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.657 10.710 -0.265 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.394 11.377 -2.372 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.010 11.819 -1.392 1.00 26.06 H new ATOM 828 N ASP A 52 0.436 8.718 -2.758 1.00 12.71 N ATOM 829 CA ASP A 52 0.420 8.067 -4.000 1.00 16.56 C ATOM 830 C ASP A 52 1.491 8.286 -5.041 1.00 15.83 C ATOM 831 O ASP A 52 1.933 7.305 -5.639 1.00 17.21 O ATOM 832 CB ASP A 52 -0.923 8.282 -4.697 1.00 21.05 C ATOM 833 CG ASP A 52 -2.067 8.208 -3.777 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.488 7.053 -3.561 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.540 9.230 -3.218 1.00 28.37 O ATOM 0 H ASP A 52 -0.461 9.166 -2.572 1.00 12.71 H new ATOM 0 HA ASP A 52 0.633 7.057 -3.650 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.920 9.256 -5.186 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.044 7.533 -5.479 1.00 21.05 H new ATOM 840 N GLY A 53 1.951 9.519 -5.230 1.00 15.00 N ATOM 841 CA GLY A 53 2.965 9.928 -6.171 1.00 11.77 C ATOM 842 C GLY A 53 4.422 9.671 -5.681 1.00 11.10 C ATOM 843 O GLY A 53 5.342 9.936 -6.403 1.00 11.25 O ATOM 0 H GLY A 53 1.595 10.306 -4.688 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.809 9.398 -7.111 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.845 10.991 -6.381 1.00 11.77 H new ATOM 847 N ARG A 54 4.615 9.256 -4.468 1.00 8.53 N ATOM 848 CA ARG A 54 5.928 9.059 -3.923 1.00 9.05 C ATOM 849 C ARG A 54 6.322 7.563 -4.043 1.00 8.96 C ATOM 850 O ARG A 54 5.572 6.677 -4.454 1.00 11.60 O ATOM 851 CB ARG A 54 5.936 9.405 -2.425 1.00 7.97 C ATOM 852 CG ARG A 54 5.489 10.871 -2.272 1.00 9.62 C ATOM 853 CD ARG A 54 5.914 11.377 -0.919 1.00 12.20 C ATOM 854 NE ARG A 54 5.192 12.652 -0.658 1.00 18.23 N ATOM 855 CZ ARG A 54 5.207 13.312 0.523 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.933 12.894 1.567 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.449 14.400 0.638 1.00 23.38 N ATOM 0 H ARG A 54 3.859 9.041 -3.818 1.00 8.53 H new ATOM 0 HA ARG A 54 6.622 9.696 -4.471 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.265 8.743 -1.878 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.933 9.265 -2.007 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.931 11.483 -3.058 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.407 10.947 -2.379 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.682 10.643 -0.147 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.992 11.537 -0.893 1.00 12.20 H new ATOM 0 HE ARG A 54 4.649 13.056 -1.421 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.501 12.050 1.488 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.918 13.419 2.441 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.881 14.712 -0.150 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.436 14.922 1.514 1.00 23.38 H new ATOM 871 N THR A 55 7.553 7.228 -3.724 1.00 9.05 N ATOM 872 CA THR A 55 8.094 5.906 -3.997 1.00 9.03 C ATOM 873 C THR A 55 8.251 5.113 -2.718 1.00 8.15 C ATOM 874 O THR A 55 8.161 5.629 -1.656 1.00 5.91 O ATOM 875 CB THR A 55 9.479 5.869 -4.760 1.00 11.15 C ATOM 876 OG1 THR A 55 10.515 6.683 -4.212 1.00 11.95 O ATOM 877 CG2 THR A 55 9.293 6.252 -6.205 1.00 11.71 C ATOM 0 H THR A 55 8.210 7.861 -3.268 1.00 9.05 H new ATOM 0 HA THR A 55 7.355 5.466 -4.667 1.00 9.03 H new ATOM 0 HB THR A 55 9.811 4.837 -4.647 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.266 6.116 -3.938 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.255 6.222 -6.716 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.607 5.552 -6.682 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.882 7.260 -6.264 1.00 11.71 H new ATOM 885 N LEU A 56 8.428 3.752 -2.918 1.00 6.91 N ATOM 886 CA LEU A 56 8.752 2.888 -1.774 1.00 8.29 C ATOM 887 C LEU A 56 10.037 3.216 -1.041 1.00 8.05 C ATOM 888 O LEU A 56 10.108 3.168 0.196 1.00 10.17 O ATOM 889 CB LEU A 56 8.784 1.475 -2.245 1.00 6.60 C ATOM 890 CG LEU A 56 7.382 0.934 -2.493 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.514 -0.300 -3.429 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.672 0.519 -1.251 1.00 8.64 C ATOM 0 H LEU A 56 8.352 3.277 -3.818 1.00 6.91 H new ATOM 0 HA LEU A 56 7.968 3.062 -1.037 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.367 1.410 -3.164 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.288 0.855 -1.503 1.00 6.60 H new ATOM 0 HG LEU A 56 6.791 1.736 -2.934 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.525 -0.713 -3.628 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.976 0.004 -4.368 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.134 -1.057 -2.948 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.681 0.145 -1.506 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.239 -0.267 -0.753 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.576 1.375 -0.584 1.00 8.64 H new ATOM 904 N SER A 57 11.157 3.589 -1.725 1.00 8.92 N ATOM 905 CA SER A 57 12.395 4.166 -1.183 1.00 9.00 C ATOM 906 C SER A 57 12.251 5.498 -0.365 1.00 9.44 C ATOM 907 O SER A 57 12.895 5.619 0.695 1.00 10.91 O ATOM 908 CB SER A 57 13.414 4.349 -2.375 1.00 10.32 C ATOM 909 OG SER A 57 12.796 5.108 -3.472 1.00 13.59 O ATOM 0 H SER A 57 11.209 3.482 -2.738 1.00 8.92 H new ATOM 0 HA SER A 57 12.753 3.457 -0.436 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.305 4.869 -2.022 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.737 3.373 -2.738 1.00 10.32 H new ATOM 0 HG SER A 57 12.289 4.498 -4.047 1.00 13.59 H new ATOM 915 N ASP A 58 11.349 6.382 -0.770 1.00 9.11 N ATOM 916 CA ASP A 58 11.106 7.658 -0.108 1.00 7.91 C ATOM 917 C ASP A 58 10.346 7.508 1.227 1.00 9.12 C ATOM 918 O ASP A 58 10.544 8.310 2.144 1.00 8.61 O ATOM 919 CB ASP A 58 10.406 8.597 -1.143 1.00 8.41 C ATOM 920 CG ASP A 58 10.521 10.078 -0.797 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.683 10.640 -0.618 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.466 10.763 -0.766 1.00 10.05 O ATOM 0 H ASP A 58 10.754 6.230 -1.584 1.00 9.11 H new ATOM 0 HA ASP A 58 12.049 8.111 0.198 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.841 8.427 -2.128 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.352 8.329 -1.210 1.00 8.41 H new ATOM 927 N TYR A 59 9.579 6.458 1.369 1.00 7.97 N ATOM 928 CA TYR A 59 8.998 6.146 2.619 1.00 8.45 C ATOM 929 C TYR A 59 9.747 5.087 3.463 1.00 10.98 C ATOM 930 O TYR A 59 9.306 4.622 4.530 1.00 12.95 O ATOM 931 CB TYR A 59 7.587 5.623 2.326 1.00 7.94 C ATOM 932 CG TYR A 59 6.713 6.846 2.217 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.456 7.682 3.308 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.050 7.056 1.003 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.556 8.724 3.159 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.039 8.015 0.908 1.00 6.52 C ATOM 937 CZ TYR A 59 4.837 8.905 1.963 1.00 6.76 C ATOM 938 OH TYR A 59 3.941 10.001 1.799 1.00 7.63 O ATOM 0 H TYR A 59 9.349 5.808 0.617 1.00 7.97 H new ATOM 0 HA TYR A 59 9.027 7.056 3.218 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.568 5.045 1.402 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.241 4.964 3.122 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.952 7.518 4.253 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.321 6.474 0.135 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.403 9.412 3.977 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.419 8.067 0.025 1.00 6.52 H new ATOM 0 HH TYR A 59 4.253 10.761 2.333 1.00 7.63 H new ATOM 948 N ASN A 60 10.997 4.726 3.094 1.00 12.38 N ATOM 949 CA ASN A 60 11.831 3.789 3.858 1.00 13.94 C ATOM 950 C ASN A 60 11.264 2.388 3.916 1.00 14.16 C ATOM 951 O ASN A 60 11.423 1.730 4.911 1.00 14.26 O ATOM 952 CB ASN A 60 12.189 4.236 5.298 1.00 19.23 C ATOM 953 CG ASN A 60 12.538 5.731 5.379 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.552 6.118 4.818 1.00 25.45 O ATOM 955 ND2 ASN A 60 11.668 6.605 6.058 1.00 24.09 N ATOM 0 H ASN A 60 11.452 5.082 2.253 1.00 12.38 H new ATOM 0 HA ASN A 60 12.754 3.789 3.278 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.349 4.026 5.960 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.034 3.649 5.658 1.00 19.23 H new ATOM 0 HD21 ASN A 60 11.874 7.603 6.095 1.00 24.09 H new ATOM 0 HD22 ASN A 60 10.831 6.240 6.513 1.00 24.09 H new ATOM 962 N ILE A 61 10.758 1.832 2.820 1.00 11.08 N ATOM 963 CA ILE A 61 10.144 0.512 2.747 1.00 11.78 C ATOM 964 C ILE A 61 11.117 -0.430 2.106 1.00 13.74 C ATOM 965 O ILE A 61 11.746 -0.213 1.135 1.00 14.60 O ATOM 966 CB ILE A 61 8.807 0.654 2.128 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.940 1.608 3.000 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.171 -0.720 2.032 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.572 2.027 2.239 1.00 11.42 C ATOM 0 H ILE A 61 10.765 2.311 1.919 1.00 11.08 H new ATOM 0 HA ILE A 61 9.940 0.058 3.717 1.00 11.78 H new ATOM 0 HB ILE A 61 8.887 1.079 1.127 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.698 1.120 3.944 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.513 2.504 3.241 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.184 -0.633 1.578 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.797 -1.369 1.419 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.074 -1.147 3.030 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.991 2.693 2.876 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.816 2.537 1.307 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.988 1.133 2.021 1.00 11.42 H new ATOM 981 N GLN A 62 11.394 -1.546 2.842 1.00 13.97 N ATOM 982 CA GLN A 62 12.410 -2.505 2.495 1.00 15.52 C ATOM 983 C GLN A 62 11.776 -3.858 2.430 1.00 13.94 C ATOM 984 O GLN A 62 10.525 -4.012 2.543 1.00 12.15 O ATOM 985 CB GLN A 62 13.550 -2.407 3.492 1.00 19.53 C ATOM 986 CG GLN A 62 14.173 -1.010 3.576 1.00 26.38 C ATOM 987 CD GLN A 62 15.435 -0.916 4.416 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.460 -0.385 3.898 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.410 -1.418 5.686 1.00 32.71 N ATOM 0 H GLN A 62 10.894 -1.780 3.699 1.00 13.97 H new ATOM 0 HA GLN A 62 12.844 -2.306 1.515 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.184 -2.693 4.478 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.323 -3.125 3.219 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.401 -0.670 2.566 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.432 -0.323 3.984 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.555 -1.836 6.053 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.247 -1.375 6.268 1.00 32.71 H new ATOM 998 N LYS A 63 12.539 -4.930 2.079 1.00 11.73 N ATOM 999 CA LYS A 63 11.983 -6.212 1.854 1.00 11.97 C ATOM 1000 C LYS A 63 11.213 -6.918 3.018 1.00 10.41 C ATOM 1001 O LYS A 63 11.636 -6.771 4.162 1.00 9.59 O ATOM 1002 CB LYS A 63 13.094 -7.162 1.315 1.00 13.73 C ATOM 1003 CG LYS A 63 14.286 -7.270 2.211 1.00 16.98 C ATOM 1004 CD LYS A 63 15.296 -8.416 1.944 1.00 20.19 C ATOM 1005 CE LYS A 63 14.805 -9.860 2.284 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.483 -10.108 3.691 1.00 25.97 N ATOM 0 H LYS A 63 13.551 -4.887 1.955 1.00 11.73 H new ATOM 0 HA LYS A 63 11.190 -6.011 1.134 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.670 -8.155 1.170 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.418 -6.808 0.337 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.830 -6.327 2.159 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.926 -7.374 3.235 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.576 -8.388 0.891 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.200 -8.217 2.519 1.00 20.19 H new ATOM 0 HE2 LYS A 63 13.920 -10.073 1.685 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.575 -10.567 1.977 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 13.610 -10.670 3.754 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.263 -10.630 4.139 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.347 -9.201 4.181 1.00 25.97 H new ATOM 1020 N GLU A 64 10.107 -7.668 2.699 1.00 10.04 N ATOM 1021 CA GLU A 64 9.299 -8.422 3.719 1.00 10.94 C ATOM 1022 C GLU A 64 8.773 -7.501 4.828 1.00 9.74 C ATOM 1023 O GLU A 64 8.650 -7.881 6.008 1.00 9.42 O ATOM 1024 CB GLU A 64 10.219 -9.568 4.229 1.00 18.31 C ATOM 1025 CG GLU A 64 10.545 -10.553 3.093 1.00 24.16 C ATOM 1026 CD GLU A 64 11.112 -11.848 3.545 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.251 -11.765 4.147 1.00 31.72 O ATOM 1028 OE2 GLU A 64 10.516 -12.945 3.341 1.00 32.61 O ATOM 0 H GLU A 64 9.756 -7.766 1.746 1.00 10.04 H new ATOM 0 HA GLU A 64 8.391 -8.844 3.289 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.142 -9.149 4.629 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.729 -10.097 5.046 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.635 -10.748 2.526 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.251 -10.080 2.411 1.00 24.16 H new ATOM 1035 N SER A 65 8.446 -6.261 4.466 1.00 6.85 N ATOM 1036 CA SER A 65 7.874 -5.293 5.362 1.00 6.90 C ATOM 1037 C SER A 65 6.394 -5.319 5.139 1.00 4.72 C ATOM 1038 O SER A 65 5.960 -5.257 3.973 1.00 3.91 O ATOM 1039 CB SER A 65 8.443 -3.941 4.968 1.00 7.28 C ATOM 1040 OG SER A 65 7.956 -2.899 5.805 1.00 10.56 O ATOM 0 H SER A 65 8.580 -5.907 3.519 1.00 6.85 H new ATOM 0 HA SER A 65 8.094 -5.496 6.410 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.531 -3.974 5.024 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.184 -3.726 3.931 1.00 7.28 H new ATOM 0 HG SER A 65 8.344 -2.045 5.523 1.00 10.56 H new ATOM 1046 N THR A 66 5.578 -5.338 6.202 1.00 4.48 N ATOM 1047 CA THR A 66 4.126 -5.336 6.280 1.00 3.80 C ATOM 1048 C THR A 66 3.648 -3.831 6.325 1.00 4.60 C ATOM 1049 O THR A 66 4.062 -3.074 7.215 1.00 5.33 O ATOM 1050 CB THR A 66 3.586 -6.022 7.559 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.130 -7.299 7.819 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.094 -6.084 7.538 1.00 3.40 C ATOM 0 H THR A 66 5.980 -5.357 7.139 1.00 4.48 H new ATOM 0 HA THR A 66 3.751 -5.885 5.416 1.00 3.80 H new ATOM 0 HB THR A 66 3.919 -5.391 8.383 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.739 -7.660 8.642 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.737 -6.570 8.446 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.689 -5.074 7.484 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.766 -6.654 6.669 1.00 3.40 H new ATOM 1060 N LEU A 67 2.728 -3.435 5.411 1.00 4.17 N ATOM 1061 CA LEU A 67 2.113 -2.130 5.407 1.00 3.85 C ATOM 1062 C LEU A 67 0.651 -2.328 5.739 1.00 3.80 C ATOM 1063 O LEU A 67 0.128 -3.490 5.611 1.00 5.54 O ATOM 1064 CB LEU A 67 2.172 -1.513 3.962 1.00 7.18 C ATOM 1065 CG LEU A 67 3.477 -1.652 3.230 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.335 -0.924 1.939 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.758 -1.203 3.861 1.00 11.66 C ATOM 0 H LEU A 67 2.404 -4.038 4.655 1.00 4.17 H new ATOM 0 HA LEU A 67 2.624 -1.477 6.115 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.391 -1.977 3.360 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.931 -0.452 4.033 1.00 7.18 H new ATOM 0 HG LEU A 67 3.609 -2.733 3.179 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.264 -1.000 1.374 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.522 -1.363 1.361 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.115 0.125 2.135 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.585 -1.387 3.176 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.701 -0.137 4.082 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.922 -1.757 4.785 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.074 -1.286 6.299 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.468 -1.430 6.740 1.00 4.17 C ATOM 1081 C HIS A 68 -2.418 -0.875 5.645 1.00 5.32 C ATOM 1082 O HIS A 68 -2.413 0.310 5.370 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.629 -0.657 8.045 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.771 -1.159 9.184 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.573 -0.835 9.303 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.136 -1.849 10.331 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.962 -1.389 10.507 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.029 -2.035 11.171 1.00 16.30 N ATOM 0 H HIS A 68 0.309 -0.352 6.443 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.720 -2.478 6.903 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.391 0.391 7.863 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.675 -0.698 8.350 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.147 -0.305 8.647 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -2.136 -2.195 10.547 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.970 -1.314 10.888 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.231 -1.826 5.017 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.367 -1.396 4.163 1.00 3.97 C ATOM 1098 C LEU A 69 -5.474 -0.795 4.987 1.00 5.07 C ATOM 1099 O LEU A 69 -5.978 -1.472 5.848 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.836 -2.548 3.277 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.965 -2.203 2.136 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.552 -0.999 1.280 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.319 -3.357 1.283 1.00 9.96 C ATOM 0 H LEU A 69 -3.109 -2.836 5.096 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.026 -0.604 3.496 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.963 -2.965 2.774 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.236 -3.330 3.923 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.867 -1.944 2.690 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.323 -0.800 0.536 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.429 -0.124 1.918 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.610 -1.216 0.777 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.070 -3.053 0.553 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.429 -3.711 0.762 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.719 -4.159 1.903 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.812 0.455 4.689 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.955 1.115 5.293 1.00 6.26 C ATOM 1117 C VAL A 70 -7.970 1.576 4.258 1.00 9.22 C ATOM 1118 O VAL A 70 -7.581 2.018 3.213 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.452 2.208 6.185 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.580 2.940 6.993 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.403 1.756 7.196 1.00 8.54 C ATOM 0 H VAL A 70 -5.301 1.035 4.023 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.513 0.407 5.906 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.001 2.895 5.470 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.136 3.717 7.615 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.290 3.391 6.300 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.099 2.221 7.627 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.092 2.607 7.802 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.827 0.987 7.841 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.540 1.351 6.668 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.288 1.538 4.497 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.160 1.736 3.370 1.00 16.06 C ATOM 1133 C LEU A 71 -10.852 3.058 3.581 1.00 18.09 C ATOM 1134 O LEU A 71 -11.083 3.535 4.702 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.261 0.674 3.319 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.812 -0.814 3.007 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.940 -1.769 3.040 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.033 -0.883 1.694 1.00 19.57 C ATOM 0 H LEU A 71 -9.735 1.382 5.400 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.571 1.689 2.454 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.779 0.677 4.278 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.987 0.974 2.563 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.141 -1.124 3.808 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.574 -2.772 2.819 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.396 -1.759 4.030 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.682 -1.481 2.295 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.736 -1.914 1.501 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.663 -0.528 0.878 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.144 -0.256 1.765 1.00 19.57 H new