USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 120:sc= -0.324 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.101 USER MOD Set 2.1: A 7 THR OG1 : rot 145:sc= 1.48 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.06 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 171:sc= 1.16 (180deg=-0.0155) USER MOD Set 3.2: A 12 THR OG1 : rot 140:sc= 1.12 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0766 (180deg=-0.625) USER MOD Single : A 1 MET N :NH3+ -146:sc= 1.29 (180deg=1.08) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 11 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.15) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0473 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0586 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 1.22 (180deg=0.607) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -155:sc= 1.24 (180deg=0.125) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 41 GLN : amide:sc= -0.511 K(o=-0.51,f=-3.8!) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= 1 (180deg=0.78) USER MOD Single : A 49 GLN : amide:sc=-0.00103 X(o=-0.001,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.56 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=-0.025) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 69:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00836 X(o=-0.0084,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.849 -7.581 -4.968 1.00 9.67 N ATOM 2 CA MET A 1 10.955 -7.451 -3.490 1.00 10.38 C ATOM 3 C MET A 1 9.661 -7.808 -2.807 1.00 9.62 C ATOM 4 O MET A 1 8.598 -7.297 -3.225 1.00 9.62 O ATOM 5 CB MET A 1 11.481 -5.984 -3.109 1.00 13.77 C ATOM 6 CG MET A 1 11.507 -5.696 -1.584 1.00 16.29 C ATOM 7 SD MET A 1 12.269 -4.145 -1.149 1.00 17.17 S ATOM 8 CE MET A 1 10.901 -3.105 -1.820 1.00 16.11 C ATOM 0 H1 MET A 1 11.761 -7.899 -5.355 1.00 9.67 H new ATOM 0 H2 MET A 1 10.112 -8.276 -5.203 1.00 9.67 H new ATOM 0 H3 MET A 1 10.600 -6.659 -5.381 1.00 9.67 H new ATOM 0 HA MET A 1 11.688 -8.169 -3.122 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.487 -5.855 -3.509 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.846 -5.244 -3.597 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.485 -5.705 -1.206 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.040 -6.504 -1.082 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.967 -2.101 -1.400 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.984 -3.051 -2.905 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.942 -3.548 -1.551 1.00 16.11 H new ATOM 20 N GLN A 2 9.602 -8.659 -1.758 1.00 9.27 N ATOM 21 CA GLN A 2 8.335 -9.001 -1.120 1.00 9.07 C ATOM 22 C GLN A 2 8.005 -8.035 0.017 1.00 8.72 C ATOM 23 O GLN A 2 8.826 -7.783 0.944 1.00 8.22 O ATOM 24 CB GLN A 2 8.360 -10.405 -0.503 1.00 14.46 C ATOM 25 CG GLN A 2 7.990 -11.608 -1.482 1.00 17.01 C ATOM 26 CD GLN A 2 8.123 -13.013 -0.819 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.978 -13.244 0.047 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.135 -13.885 -1.136 1.00 19.49 N ATOM 0 H GLN A 2 10.417 -9.113 -1.346 1.00 9.27 H new ATOM 0 HA GLN A 2 7.588 -8.946 -1.912 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.357 -10.585 -0.100 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.668 -10.422 0.339 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.967 -11.477 -1.835 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.638 -11.566 -2.358 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.455 -13.645 -1.858 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.071 -14.781 -0.653 1.00 19.49 H new ATOM 37 N ILE A 3 6.749 -7.457 0.011 1.00 5.87 N ATOM 38 CA ILE A 3 6.248 -6.567 1.046 1.00 5.07 C ATOM 39 C ILE A 3 4.852 -7.114 1.389 1.00 4.01 C ATOM 40 O ILE A 3 3.990 -7.490 0.579 1.00 4.61 O ATOM 41 CB ILE A 3 6.158 -5.083 0.727 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.277 -4.660 -0.517 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.655 -4.639 0.508 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.257 -3.128 -0.714 1.00 10.83 C ATOM 0 H ILE A 3 6.075 -7.620 -0.737 1.00 5.87 H new ATOM 0 HA ILE A 3 6.973 -6.577 1.860 1.00 5.07 H new ATOM 0 HB ILE A 3 5.638 -4.592 1.550 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.666 -5.137 -1.417 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.258 -5.022 -0.380 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.688 -3.575 0.271 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.227 -4.827 1.417 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.086 -5.208 -0.316 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.641 -2.880 -1.578 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.843 -2.652 0.175 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.273 -2.769 -0.878 1.00 10.83 H new ATOM 56 N PHE A 4 4.639 -7.213 2.711 1.00 4.55 N ATOM 57 CA PHE A 4 3.346 -7.686 3.251 1.00 4.68 C ATOM 58 C PHE A 4 2.399 -6.572 3.374 1.00 5.30 C ATOM 59 O PHE A 4 2.849 -5.445 3.749 1.00 5.58 O ATOM 60 CB PHE A 4 3.434 -8.429 4.632 1.00 4.83 C ATOM 61 CG PHE A 4 4.586 -9.333 4.573 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.600 -10.408 3.624 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.628 -9.286 5.507 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.712 -11.257 3.537 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.826 -10.091 5.371 1.00 10.61 C ATOM 66 CZ PHE A 4 6.827 -11.100 4.398 1.00 8.90 C ATOM 0 H PHE A 4 5.333 -6.976 3.420 1.00 4.55 H new ATOM 0 HA PHE A 4 3.000 -8.422 2.525 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.550 -7.713 5.446 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.518 -8.987 4.826 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.751 -10.564 2.974 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.536 -8.627 6.358 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.719 -12.046 2.800 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.688 -9.919 5.998 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.678 -11.758 4.304 1.00 8.90 H new ATOM 76 N VAL A 5 1.117 -6.853 3.123 1.00 4.44 N ATOM 77 CA VAL A 5 -0.005 -5.884 3.373 1.00 3.87 C ATOM 78 C VAL A 5 -1.069 -6.581 4.206 1.00 4.93 C ATOM 79 O VAL A 5 -1.595 -7.607 3.837 1.00 6.84 O ATOM 80 CB VAL A 5 -0.720 -5.219 2.133 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.668 -4.063 2.505 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.278 -4.637 1.185 1.00 9.13 C ATOM 0 H VAL A 5 0.807 -7.747 2.743 1.00 4.44 H new ATOM 0 HA VAL A 5 0.493 -5.050 3.868 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.293 -6.033 1.688 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.121 -3.658 1.600 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.450 -4.433 3.168 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.105 -3.279 3.011 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.243 -4.186 0.340 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.866 -3.876 1.698 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.940 -5.425 0.824 1.00 9.13 H new ATOM 92 N LYS A 6 -1.333 -5.986 5.345 1.00 6.04 N ATOM 93 CA LYS A 6 -2.310 -6.558 6.295 1.00 6.12 C ATOM 94 C LYS A 6 -3.454 -5.593 6.459 1.00 6.57 C ATOM 95 O LYS A 6 -3.302 -4.383 6.658 1.00 5.76 O ATOM 96 CB LYS A 6 -1.727 -6.786 7.699 1.00 7.45 C ATOM 97 CG LYS A 6 -0.810 -8.046 7.776 1.00 11.12 C ATOM 98 CD LYS A 6 -0.500 -8.360 9.152 1.00 14.54 C ATOM 99 CE LYS A 6 0.603 -9.450 9.321 1.00 18.84 C ATOM 100 NZ LYS A 6 0.052 -10.816 9.075 1.00 20.55 N ATOM 0 H LYS A 6 -0.900 -5.115 5.652 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.616 -7.519 5.881 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.155 -5.907 7.997 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.543 -6.892 8.413 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.307 -8.895 7.306 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.111 -7.868 7.221 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.178 -7.450 9.658 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.409 -8.697 9.651 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.421 -9.254 8.628 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.019 -9.398 10.327 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.831 -11.504 9.043 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.603 -11.070 9.842 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.457 -10.827 8.168 1.00 20.55 H new ATOM 114 N THR A 7 -4.662 -6.108 6.318 1.00 7.41 N ATOM 115 CA THR A 7 -5.954 -5.432 6.258 1.00 7.48 C ATOM 116 C THR A 7 -6.609 -5.332 7.577 1.00 8.75 C ATOM 117 O THR A 7 -6.156 -5.933 8.561 1.00 8.58 O ATOM 118 CB THR A 7 -7.019 -6.008 5.245 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.618 -7.223 5.727 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.311 -6.347 3.900 1.00 9.17 C ATOM 0 H THR A 7 -4.779 -7.118 6.233 1.00 7.41 H new ATOM 0 HA THR A 7 -5.654 -4.454 5.881 1.00 7.48 H new ATOM 0 HB THR A 7 -7.793 -5.250 5.122 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.559 -7.254 5.455 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.041 -6.746 3.195 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.863 -5.443 3.487 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.533 -7.090 4.076 1.00 9.17 H new ATOM 128 N LEU A 8 -7.644 -4.516 7.743 1.00 9.84 N ATOM 129 CA LEU A 8 -8.440 -4.526 8.983 1.00 14.15 C ATOM 130 C LEU A 8 -9.562 -5.550 8.927 1.00 17.37 C ATOM 131 O LEU A 8 -10.534 -5.524 9.659 1.00 17.01 O ATOM 132 CB LEU A 8 -9.043 -3.083 9.297 1.00 16.63 C ATOM 133 CG LEU A 8 -8.015 -1.998 9.684 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.703 -0.642 9.942 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.212 -2.393 10.955 1.00 18.59 C ATOM 0 H LEU A 8 -7.957 -3.841 7.045 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.760 -4.807 9.787 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.593 -2.740 8.420 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.765 -3.180 10.108 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.331 -1.909 8.840 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.953 0.101 10.212 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.223 -0.321 9.040 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.420 -0.747 10.756 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.499 -1.604 11.195 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.898 -2.529 11.791 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.675 -3.324 10.772 1.00 18.59 H new ATOM 147 N THR A 9 -9.498 -6.464 7.973 1.00 18.33 N ATOM 148 CA THR A 9 -10.424 -7.612 7.887 1.00 19.24 C ATOM 149 C THR A 9 -9.656 -8.935 8.218 1.00 19.48 C ATOM 150 O THR A 9 -10.120 -10.034 7.901 1.00 23.14 O ATOM 151 CB THR A 9 -11.153 -7.752 6.552 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.285 -7.665 5.432 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.123 -6.583 6.405 1.00 19.70 C ATOM 0 H THR A 9 -8.803 -6.442 7.226 1.00 18.33 H new ATOM 0 HA THR A 9 -11.204 -7.417 8.623 1.00 19.24 H new ATOM 0 HB THR A 9 -11.635 -8.730 6.564 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.805 -7.763 4.607 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.653 -6.667 5.456 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.841 -6.601 7.225 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.569 -5.645 6.429 1.00 19.70 H new ATOM 161 N GLY A 10 -8.441 -8.842 8.796 1.00 19.43 N ATOM 162 CA GLY A 10 -7.827 -10.065 9.226 1.00 18.74 C ATOM 163 C GLY A 10 -7.070 -10.801 8.172 1.00 17.62 C ATOM 164 O GLY A 10 -6.802 -12.005 8.238 1.00 19.74 O ATOM 0 H GLY A 10 -7.913 -7.984 8.958 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.148 -9.842 10.049 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.602 -10.723 9.620 1.00 18.74 H new ATOM 168 N LYS A 11 -6.735 -10.068 7.028 1.00 13.56 N ATOM 169 CA LYS A 11 -6.137 -10.642 5.851 1.00 11.91 C ATOM 170 C LYS A 11 -4.720 -10.132 5.462 1.00 10.18 C ATOM 171 O LYS A 11 -4.431 -8.935 5.497 1.00 9.10 O ATOM 172 CB LYS A 11 -7.087 -10.284 4.658 1.00 13.43 C ATOM 173 CG LYS A 11 -6.835 -11.092 3.384 1.00 16.69 C ATOM 174 CD LYS A 11 -7.876 -10.805 2.318 1.00 17.92 C ATOM 175 CE LYS A 11 -7.371 -11.356 1.026 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.475 -11.068 0.112 1.00 21.93 N ATOM 0 H LYS A 11 -6.894 -9.064 6.950 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.014 -11.703 6.067 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.119 -10.438 4.973 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.978 -9.224 4.429 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.844 -10.858 2.996 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.842 -12.156 3.621 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.829 -11.263 2.582 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.050 -9.732 2.234 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.446 -10.873 0.712 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.166 -12.424 1.092 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.223 -11.382 -0.847 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.328 -11.572 0.428 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.661 -10.045 0.104 1.00 21.93 H new ATOM 190 N THR A 12 -3.859 -11.152 5.163 1.00 9.63 N ATOM 191 CA THR A 12 -2.426 -10.833 4.868 1.00 9.85 C ATOM 192 C THR A 12 -2.223 -11.263 3.472 1.00 11.66 C ATOM 193 O THR A 12 -2.507 -12.439 3.125 1.00 12.33 O ATOM 194 CB THR A 12 -1.372 -11.620 5.719 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.644 -11.380 7.077 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.019 -11.002 5.462 1.00 9.63 C ATOM 0 H THR A 12 -4.109 -12.140 5.121 1.00 9.63 H new ATOM 0 HA THR A 12 -2.272 -9.776 5.085 1.00 9.85 H new ATOM 0 HB THR A 12 -1.401 -12.681 5.471 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.525 -12.209 7.586 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.738 -11.530 6.042 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.219 -11.077 4.401 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.036 -9.953 5.757 1.00 9.63 H new ATOM 204 N ILE A 13 -1.765 -10.297 2.637 1.00 10.42 N ATOM 205 CA ILE A 13 -1.409 -10.476 1.215 1.00 11.84 C ATOM 206 C ILE A 13 0.145 -10.222 1.155 1.00 10.55 C ATOM 207 O ILE A 13 0.693 -9.479 1.996 1.00 11.92 O ATOM 208 CB ILE A 13 -2.167 -9.660 0.185 1.00 14.86 C ATOM 209 CG1 ILE A 13 -1.974 -8.140 0.455 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.694 -10.186 0.241 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.677 -7.230 -0.589 1.00 16.46 C ATOM 0 H ILE A 13 -1.630 -9.336 2.952 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.709 -11.480 0.914 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.799 -9.790 -0.833 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.358 -7.904 1.448 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.908 -7.913 0.463 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.295 -9.635 -0.482 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.722 -11.249 0.001 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.096 -10.030 1.242 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.500 -6.184 -0.338 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.276 -7.438 -1.581 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.749 -7.428 -0.582 1.00 16.46 H new ATOM 223 N THR A 14 0.798 -10.856 0.183 1.00 9.39 N ATOM 224 CA THR A 14 2.138 -10.524 -0.193 1.00 9.63 C ATOM 225 C THR A 14 2.176 -10.014 -1.580 1.00 11.20 C ATOM 226 O THR A 14 1.544 -10.535 -2.473 1.00 11.63 O ATOM 227 CB THR A 14 3.174 -11.698 -0.123 1.00 10.38 C ATOM 228 OG1 THR A 14 2.990 -12.395 1.170 1.00 16.30 O ATOM 229 CG2 THR A 14 4.559 -11.067 -0.061 1.00 11.66 C ATOM 0 H THR A 14 0.393 -11.619 -0.360 1.00 9.39 H new ATOM 0 HA THR A 14 2.431 -9.778 0.546 1.00 9.63 H new ATOM 0 HB THR A 14 3.053 -12.373 -0.970 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.628 -13.136 1.236 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.314 -11.851 -0.011 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.723 -10.461 -0.952 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.632 -10.436 0.825 1.00 11.66 H new ATOM 237 N LEU A 15 2.933 -8.915 -1.893 1.00 8.29 N ATOM 238 CA LEU A 15 3.107 -8.313 -3.154 1.00 9.03 C ATOM 239 C LEU A 15 4.563 -8.293 -3.453 1.00 8.59 C ATOM 240 O LEU A 15 5.419 -8.000 -2.608 1.00 7.79 O ATOM 241 CB LEU A 15 2.712 -6.837 -3.129 1.00 11.08 C ATOM 242 CG LEU A 15 1.254 -6.627 -2.715 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.974 -5.129 -2.607 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.242 -7.188 -3.696 1.00 15.27 C ATOM 0 H LEU A 15 3.461 -8.425 -1.171 1.00 8.29 H new ATOM 0 HA LEU A 15 2.504 -8.870 -3.871 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.363 -6.302 -2.438 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.872 -6.405 -4.117 1.00 11.08 H new ATOM 0 HG LEU A 15 1.139 -7.156 -1.769 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.064 -4.973 -2.312 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.634 -4.689 -1.859 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.152 -4.655 -3.572 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.766 -6.997 -3.328 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.371 -6.708 -4.666 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.393 -8.262 -3.800 1.00 15.27 H new ATOM 256 N GLU A 16 4.905 -8.559 -4.742 1.00 11.04 N ATOM 257 CA GLU A 16 6.223 -8.387 -5.268 1.00 11.50 C ATOM 258 C GLU A 16 6.297 -7.103 -5.899 1.00 10.13 C ATOM 259 O GLU A 16 5.551 -6.886 -6.836 1.00 9.83 O ATOM 260 CB GLU A 16 6.566 -9.585 -6.198 1.00 17.22 C ATOM 261 CG GLU A 16 6.572 -10.879 -5.393 1.00 23.33 C ATOM 262 CD GLU A 16 7.146 -12.015 -6.212 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.334 -12.017 -6.520 1.00 28.90 O ATOM 264 OE2 GLU A 16 6.393 -12.986 -6.557 1.00 28.86 O ATOM 0 H GLU A 16 4.237 -8.904 -5.431 1.00 11.04 H new ATOM 0 HA GLU A 16 6.981 -8.393 -4.485 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.836 -9.651 -7.005 1.00 17.22 H new ATOM 0 HB3 GLU A 16 7.540 -9.430 -6.662 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.160 -10.746 -4.485 1.00 23.33 H new ATOM 0 HG3 GLU A 16 5.557 -11.125 -5.082 1.00 23.33 H new ATOM 271 N VAL A 17 7.196 -6.210 -5.393 1.00 8.99 N ATOM 272 CA VAL A 17 7.366 -4.844 -5.823 1.00 8.85 C ATOM 273 C VAL A 17 8.822 -4.525 -6.041 1.00 8.04 C ATOM 274 O VAL A 17 9.655 -5.305 -5.557 1.00 8.99 O ATOM 275 CB VAL A 17 6.856 -3.880 -4.784 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.293 -3.857 -4.627 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.518 -4.101 -3.412 1.00 10.54 C ATOM 0 H VAL A 17 7.837 -6.463 -4.641 1.00 8.99 H new ATOM 0 HA VAL A 17 6.804 -4.739 -6.751 1.00 8.85 H new ATOM 0 HB VAL A 17 7.144 -2.901 -5.168 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.015 -3.136 -3.858 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.836 -3.572 -5.575 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.942 -4.848 -4.339 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.119 -3.383 -2.696 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.309 -5.113 -3.066 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.596 -3.963 -3.502 1.00 10.54 H new ATOM 287 N GLU A 18 9.166 -3.458 -6.802 1.00 7.29 N ATOM 288 CA GLU A 18 10.454 -2.937 -7.016 1.00 7.08 C ATOM 289 C GLU A 18 10.607 -1.663 -6.162 1.00 6.45 C ATOM 290 O GLU A 18 9.576 -1.053 -5.873 1.00 5.28 O ATOM 291 CB GLU A 18 10.744 -2.519 -8.459 1.00 10.28 C ATOM 292 CG GLU A 18 10.917 -3.688 -9.395 1.00 12.65 C ATOM 293 CD GLU A 18 12.276 -4.399 -9.296 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.202 -3.937 -8.561 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.422 -5.518 -9.924 1.00 18.17 O ATOM 0 H GLU A 18 8.458 -2.925 -7.306 1.00 7.29 H new ATOM 0 HA GLU A 18 11.144 -3.739 -6.755 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.929 -1.892 -8.819 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.648 -1.910 -8.479 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.128 -4.414 -9.197 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.779 -3.339 -10.418 1.00 12.65 H new ATOM 302 N PRO A 19 11.781 -1.245 -5.635 1.00 7.24 N ATOM 303 CA PRO A 19 12.080 -0.038 -4.954 1.00 7.07 C ATOM 304 C PRO A 19 11.620 1.248 -5.687 1.00 6.65 C ATOM 305 O PRO A 19 11.284 2.231 -5.004 1.00 6.37 O ATOM 306 CB PRO A 19 13.572 -0.019 -4.885 1.00 7.61 C ATOM 307 CG PRO A 19 13.839 -1.510 -4.570 1.00 8.16 C ATOM 308 CD PRO A 19 12.861 -2.222 -5.485 1.00 7.49 C ATOM 0 HA PRO A 19 11.561 -0.029 -3.996 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.030 0.298 -5.822 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.946 0.646 -4.106 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.871 -1.791 -4.782 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.655 -1.742 -3.521 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.315 -2.473 -6.444 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.504 -3.154 -5.047 1.00 7.49 H new ATOM 316 N SER A 20 11.602 1.231 -7.042 1.00 6.80 N ATOM 317 CA SER A 20 11.176 2.334 -7.910 1.00 6.28 C ATOM 318 C SER A 20 9.784 2.306 -8.243 1.00 8.45 C ATOM 319 O SER A 20 9.383 3.102 -9.093 1.00 7.26 O ATOM 320 CB SER A 20 11.879 2.176 -9.272 1.00 8.57 C ATOM 321 OG SER A 20 11.801 0.802 -9.762 1.00 11.13 O ATOM 0 H SER A 20 11.897 0.411 -7.572 1.00 6.80 H new ATOM 0 HA SER A 20 11.412 3.246 -7.362 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.422 2.848 -9.998 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.924 2.471 -9.179 1.00 8.57 H new ATOM 0 HG SER A 20 12.255 0.737 -10.628 1.00 11.13 H new ATOM 327 N ASP A 21 8.918 1.435 -7.711 1.00 7.50 N ATOM 328 CA ASP A 21 7.466 1.450 -7.986 1.00 7.70 C ATOM 329 C ASP A 21 6.835 2.675 -7.163 1.00 7.08 C ATOM 330 O ASP A 21 7.255 2.993 -6.003 1.00 8.11 O ATOM 331 CB ASP A 21 6.689 0.147 -7.714 1.00 11.00 C ATOM 332 CG ASP A 21 7.030 -1.022 -8.616 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.229 -0.841 -9.804 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.979 -2.175 -8.052 1.00 18.03 O ATOM 0 H ASP A 21 9.202 0.692 -7.072 1.00 7.50 H new ATOM 0 HA ASP A 21 7.361 1.564 -9.065 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.867 -0.151 -6.681 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.623 0.355 -7.807 1.00 11.00 H new ATOM 339 N THR A 22 5.829 3.405 -7.746 1.00 5.37 N ATOM 340 CA THR A 22 5.097 4.403 -7.046 1.00 6.01 C ATOM 341 C THR A 22 4.145 3.761 -6.056 1.00 8.01 C ATOM 342 O THR A 22 3.747 2.601 -6.169 1.00 8.11 O ATOM 343 CB THR A 22 4.358 5.409 -7.814 1.00 8.92 C ATOM 344 OG1 THR A 22 3.606 4.747 -8.824 1.00 10.22 O ATOM 345 CG2 THR A 22 5.328 6.288 -8.575 1.00 9.65 C ATOM 0 H THR A 22 5.538 3.284 -8.716 1.00 5.37 H new ATOM 0 HA THR A 22 5.898 4.972 -6.575 1.00 6.01 H new ATOM 0 HB THR A 22 3.740 5.982 -7.123 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.105 5.408 -9.345 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.773 7.034 -9.144 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.994 6.789 -7.872 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.916 5.675 -9.257 1.00 9.65 H new ATOM 353 N ILE A 23 3.611 4.487 -5.072 1.00 8.32 N ATOM 354 CA ILE A 23 2.608 4.032 -4.137 1.00 9.92 C ATOM 355 C ILE A 23 1.294 3.723 -4.890 1.00 10.01 C ATOM 356 O ILE A 23 0.610 2.725 -4.628 1.00 8.71 O ATOM 357 CB ILE A 23 2.427 5.013 -2.974 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.681 5.041 -2.048 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.200 4.609 -2.140 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.266 3.660 -1.849 1.00 12.30 C ATOM 0 H ILE A 23 3.887 5.455 -4.907 1.00 8.32 H new ATOM 0 HA ILE A 23 2.945 3.104 -3.676 1.00 9.92 H new ATOM 0 HB ILE A 23 2.287 6.007 -3.398 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.437 5.697 -2.480 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.409 5.463 -1.081 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.075 5.309 -1.314 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.310 4.628 -2.769 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.344 3.603 -1.745 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.138 3.724 -1.198 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.519 3.011 -1.392 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.563 3.248 -2.813 1.00 12.30 H new ATOM 372 N GLU A 24 0.945 4.533 -5.907 1.00 9.54 N ATOM 373 CA GLU A 24 -0.108 4.345 -6.850 1.00 11.81 C ATOM 374 C GLU A 24 -0.091 2.990 -7.577 1.00 11.14 C ATOM 375 O GLU A 24 -1.094 2.311 -7.866 1.00 10.62 O ATOM 376 CB GLU A 24 0.034 5.429 -7.971 1.00 19.24 C ATOM 377 CG GLU A 24 -1.041 5.352 -9.113 1.00 27.76 C ATOM 378 CD GLU A 24 -0.809 6.319 -10.272 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.090 7.354 -10.234 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.479 6.105 -11.292 1.00 36.51 O ATOM 0 H GLU A 24 1.452 5.401 -6.081 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.030 4.408 -6.271 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.019 6.415 -7.510 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.024 5.339 -8.419 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.063 4.335 -9.505 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.023 5.550 -8.683 1.00 27.76 H new ATOM 387 N ASN A 25 1.139 2.543 -7.904 1.00 9.43 N ATOM 388 CA ASN A 25 1.469 1.318 -8.601 1.00 10.96 C ATOM 389 C ASN A 25 1.193 0.132 -7.676 1.00 9.68 C ATOM 390 O ASN A 25 0.684 -0.933 -8.075 1.00 9.33 O ATOM 391 CB ASN A 25 2.852 1.344 -9.105 1.00 16.78 C ATOM 392 CG ASN A 25 3.071 0.442 -10.289 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.472 0.754 -11.356 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.775 -0.685 -10.058 1.00 24.70 N ATOM 0 H ASN A 25 1.974 3.078 -7.664 1.00 9.43 H new ATOM 0 HA ASN A 25 0.839 1.213 -9.484 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.111 2.366 -9.383 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.529 1.050 -8.303 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.863 -1.390 -10.789 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.220 -0.832 -9.152 1.00 24.70 H new ATOM 401 N VAL A 26 1.422 0.315 -6.330 1.00 6.52 N ATOM 402 CA VAL A 26 1.173 -0.735 -5.355 1.00 5.53 C ATOM 403 C VAL A 26 -0.304 -0.990 -5.156 1.00 4.42 C ATOM 404 O VAL A 26 -0.756 -2.105 -5.197 1.00 3.40 O ATOM 405 CB VAL A 26 1.838 -0.333 -3.975 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.510 -1.445 -2.973 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.394 -0.176 -4.169 1.00 8.12 C ATOM 0 H VAL A 26 1.776 1.183 -5.929 1.00 6.52 H new ATOM 0 HA VAL A 26 1.614 -1.657 -5.735 1.00 5.53 H new ATOM 0 HB VAL A 26 1.456 0.619 -3.607 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.952 -1.205 -2.006 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.429 -1.531 -2.867 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.916 -2.390 -3.333 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.853 0.101 -3.220 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.815 -1.121 -4.514 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.592 0.601 -4.908 1.00 8.12 H new ATOM 417 N LYS A 27 -1.124 0.078 -5.019 1.00 2.64 N ATOM 418 CA LYS A 27 -2.581 0.080 -5.060 1.00 4.14 C ATOM 419 C LYS A 27 -3.169 -0.569 -6.333 1.00 5.58 C ATOM 420 O LYS A 27 -4.138 -1.304 -6.224 1.00 4.11 O ATOM 421 CB LYS A 27 -3.079 1.493 -4.818 1.00 3.97 C ATOM 422 CG LYS A 27 -2.680 2.145 -3.494 1.00 7.45 C ATOM 423 CD LYS A 27 -3.280 3.500 -3.091 1.00 9.02 C ATOM 424 CE LYS A 27 -2.731 4.094 -1.799 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.388 5.338 -1.393 1.00 15.47 N ATOM 0 H LYS A 27 -0.749 1.014 -4.868 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.947 -0.562 -4.259 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.719 2.124 -5.630 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.167 1.485 -4.879 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.917 1.437 -2.700 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.596 2.261 -3.504 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.109 4.210 -3.900 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.359 3.386 -2.990 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.837 3.361 -1.000 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.664 4.281 -1.921 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.822 5.805 -0.657 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.475 5.969 -2.215 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.334 5.125 -1.018 1.00 15.47 H new ATOM 439 N ALA A 28 -2.623 -0.279 -7.516 1.00 6.61 N ATOM 440 CA ALA A 28 -2.973 -0.900 -8.775 1.00 7.74 C ATOM 441 C ALA A 28 -2.803 -2.407 -8.836 1.00 9.17 C ATOM 442 O ALA A 28 -3.647 -3.182 -9.315 1.00 11.45 O ATOM 443 CB ALA A 28 -2.068 -0.220 -9.897 1.00 7.68 C ATOM 0 H ALA A 28 -1.894 0.427 -7.616 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.041 -0.741 -8.921 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.299 -0.660 -10.867 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.269 0.851 -9.927 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.016 -0.385 -9.665 1.00 7.68 H new ATOM 449 N LYS A 29 -1.717 -2.924 -8.253 1.00 8.96 N ATOM 450 CA LYS A 29 -1.372 -4.279 -7.917 1.00 7.90 C ATOM 451 C LYS A 29 -2.281 -4.965 -6.949 1.00 6.92 C ATOM 452 O LYS A 29 -2.594 -6.166 -7.024 1.00 6.87 O ATOM 453 CB LYS A 29 0.028 -4.444 -7.262 1.00 10.28 C ATOM 454 CG LYS A 29 0.542 -5.893 -7.539 1.00 14.94 C ATOM 455 CD LYS A 29 2.101 -5.995 -7.422 1.00 19.69 C ATOM 456 CE LYS A 29 2.398 -7.494 -7.692 1.00 22.63 C ATOM 457 NZ LYS A 29 2.446 -7.808 -9.169 1.00 24.98 N ATOM 0 H LYS A 29 -0.963 -2.297 -7.973 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.434 -4.727 -8.909 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.725 -3.711 -7.670 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.033 -4.263 -6.189 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.080 -6.583 -6.833 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.232 -6.203 -8.537 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.599 -5.352 -8.148 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.448 -5.690 -6.435 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.350 -7.763 -7.234 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.632 -8.106 -7.217 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 2.647 -8.820 -9.302 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 1.530 -7.577 -9.603 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.195 -7.244 -9.620 1.00 24.98 H new ATOM 471 N ILE A 30 -2.831 -4.218 -5.926 1.00 4.57 N ATOM 472 CA ILE A 30 -3.826 -4.650 -4.970 1.00 5.58 C ATOM 473 C ILE A 30 -5.158 -4.715 -5.722 1.00 7.26 C ATOM 474 O ILE A 30 -5.870 -5.678 -5.553 1.00 9.46 O ATOM 475 CB ILE A 30 -3.907 -3.745 -3.756 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.661 -3.871 -2.908 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.123 -4.162 -2.950 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.725 -3.352 -1.450 1.00 2.00 C ATOM 0 H ILE A 30 -2.551 -3.250 -5.770 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.557 -5.626 -4.567 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.990 -2.705 -4.073 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.382 -4.924 -2.877 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.855 -3.343 -3.417 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.209 -3.528 -2.067 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.019 -4.056 -3.562 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.016 -5.202 -2.641 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.761 -3.508 -0.966 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.962 -2.288 -1.453 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.497 -3.894 -0.904 1.00 2.00 H new ATOM 490 N GLN A 31 -5.474 -3.764 -6.598 1.00 7.06 N ATOM 491 CA GLN A 31 -6.651 -3.858 -7.442 1.00 8.67 C ATOM 492 C GLN A 31 -6.726 -5.079 -8.368 1.00 10.90 C ATOM 493 O GLN A 31 -7.719 -5.809 -8.383 1.00 9.63 O ATOM 494 CB GLN A 31 -6.719 -2.541 -8.329 1.00 9.12 C ATOM 495 CG GLN A 31 -8.015 -2.421 -9.216 1.00 10.76 C ATOM 496 CD GLN A 31 -8.136 -1.270 -10.110 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.195 -0.638 -10.147 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.044 -0.903 -10.845 1.00 14.76 N ATOM 0 H GLN A 31 -4.924 -2.916 -6.738 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.495 -3.972 -6.761 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.660 -1.672 -7.673 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.844 -2.509 -8.979 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.088 -3.323 -9.823 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.876 -2.416 -8.548 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.185 -1.450 -10.789 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.088 -0.082 -11.449 1.00 14.76 H new ATOM 507 N ASP A 32 -5.645 -5.290 -9.128 1.00 10.93 N ATOM 508 CA ASP A 32 -5.482 -6.477 -9.933 1.00 14.01 C ATOM 509 C ASP A 32 -5.570 -7.784 -9.095 1.00 14.04 C ATOM 510 O ASP A 32 -6.140 -8.787 -9.461 1.00 13.39 O ATOM 511 CB ASP A 32 -4.134 -6.361 -10.670 1.00 18.01 C ATOM 512 CG ASP A 32 -4.101 -7.229 -11.870 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.765 -6.854 -12.881 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.363 -8.287 -11.932 1.00 25.17 O ATOM 0 H ASP A 32 -4.866 -4.635 -9.193 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.300 -6.543 -10.650 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.965 -5.325 -10.963 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.323 -6.638 -9.996 1.00 18.01 H new ATOM 519 N LYS A 33 -4.928 -7.722 -7.900 1.00 14.22 N ATOM 520 CA LYS A 33 -4.942 -8.825 -6.974 1.00 14.00 C ATOM 521 C LYS A 33 -6.325 -9.085 -6.335 1.00 12.37 C ATOM 522 O LYS A 33 -6.865 -10.177 -6.489 1.00 12.17 O ATOM 523 CB LYS A 33 -3.819 -8.771 -5.898 1.00 18.62 C ATOM 524 CG LYS A 33 -3.331 -10.177 -5.457 1.00 24.00 C ATOM 525 CD LYS A 33 -2.349 -10.171 -4.231 1.00 27.61 C ATOM 526 CE LYS A 33 -1.862 -11.573 -3.729 1.00 27.64 C ATOM 527 NZ LYS A 33 -3.044 -12.343 -3.330 1.00 30.06 N ATOM 0 H LYS A 33 -4.402 -6.910 -7.579 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.719 -9.687 -7.603 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.974 -8.206 -6.291 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.185 -8.230 -5.026 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.199 -10.787 -5.208 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.835 -10.657 -6.301 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.473 -9.579 -4.496 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.839 -9.661 -3.402 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.316 -12.092 -4.517 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.178 -11.461 -2.888 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -2.770 -13.061 -2.629 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -3.750 -11.704 -2.913 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -3.451 -12.811 -4.165 1.00 30.06 H new ATOM 541 N GLU A 34 -6.912 -8.097 -5.608 1.00 10.11 N ATOM 542 CA GLU A 34 -7.937 -8.355 -4.619 1.00 10.07 C ATOM 543 C GLU A 34 -9.250 -7.624 -4.938 1.00 9.32 C ATOM 544 O GLU A 34 -10.117 -7.475 -4.120 1.00 11.61 O ATOM 545 CB GLU A 34 -7.474 -8.084 -3.152 1.00 14.77 C ATOM 546 CG GLU A 34 -6.207 -9.000 -2.713 1.00 18.75 C ATOM 547 CD GLU A 34 -6.468 -10.509 -2.632 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.620 -10.958 -2.436 1.00 25.19 O ATOM 549 OE2 GLU A 34 -5.442 -11.176 -2.704 1.00 21.95 O ATOM 0 H GLU A 34 -6.673 -7.110 -5.707 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.131 -9.426 -4.681 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.209 -7.032 -3.048 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.305 -8.272 -2.473 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.397 -8.829 -3.421 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -5.857 -8.659 -1.739 1.00 18.75 H new ATOM 556 N GLY A 35 -9.334 -7.021 -6.154 1.00 7.22 N ATOM 557 CA GLY A 35 -10.487 -6.295 -6.692 1.00 6.29 C ATOM 558 C GLY A 35 -10.740 -4.996 -5.923 1.00 6.93 C ATOM 559 O GLY A 35 -11.863 -4.465 -6.009 1.00 7.41 O ATOM 0 H GLY A 35 -8.552 -7.036 -6.809 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.317 -6.069 -7.745 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.373 -6.928 -6.641 1.00 6.29 H new ATOM 563 N ILE A 36 -9.765 -4.434 -5.215 1.00 5.86 N ATOM 564 CA ILE A 36 -9.958 -3.238 -4.378 1.00 6.07 C ATOM 565 C ILE A 36 -9.783 -1.941 -5.215 1.00 6.36 C ATOM 566 O ILE A 36 -8.674 -1.867 -5.796 1.00 6.18 O ATOM 567 CB ILE A 36 -8.984 -3.097 -3.190 1.00 7.47 C ATOM 568 CG1 ILE A 36 -8.939 -4.421 -2.453 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.555 -1.977 -2.352 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.217 -4.370 -1.099 1.00 9.49 C ATOM 0 H ILE A 36 -8.810 -4.792 -5.201 1.00 5.86 H new ATOM 0 HA ILE A 36 -10.968 -3.370 -3.989 1.00 6.07 H new ATOM 0 HB ILE A 36 -7.958 -2.863 -3.474 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -9.960 -4.769 -2.294 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -8.446 -5.159 -3.086 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -8.918 -1.812 -1.483 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.601 -1.065 -2.947 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.558 -2.245 -2.021 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.232 -5.359 -0.641 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.184 -4.055 -1.249 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.721 -3.659 -0.444 1.00 9.49 H new ATOM 582 N PRO A 37 -10.656 -0.948 -5.351 1.00 8.65 N ATOM 583 CA PRO A 37 -10.267 0.257 -6.033 1.00 9.18 C ATOM 584 C PRO A 37 -9.176 1.083 -5.330 1.00 9.85 C ATOM 585 O PRO A 37 -9.324 1.315 -4.149 1.00 8.51 O ATOM 586 CB PRO A 37 -11.605 1.060 -6.150 1.00 11.42 C ATOM 587 CG PRO A 37 -12.619 -0.059 -6.224 1.00 9.27 C ATOM 588 CD PRO A 37 -12.108 -1.032 -5.164 1.00 8.33 C ATOM 0 HA PRO A 37 -9.802 0.020 -6.990 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.771 1.709 -5.290 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.627 1.694 -7.036 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.627 0.291 -6.003 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.650 -0.515 -7.214 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.408 -0.736 -4.159 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.482 -2.043 -5.323 1.00 8.33 H new ATOM 596 N PRO A 38 -8.189 1.614 -5.934 1.00 8.71 N ATOM 597 CA PRO A 38 -7.051 2.244 -5.288 1.00 9.08 C ATOM 598 C PRO A 38 -7.415 3.493 -4.465 1.00 9.28 C ATOM 599 O PRO A 38 -6.834 3.738 -3.434 1.00 6.50 O ATOM 600 CB PRO A 38 -6.054 2.455 -6.494 1.00 10.31 C ATOM 601 CG PRO A 38 -6.983 2.509 -7.716 1.00 10.81 C ATOM 602 CD PRO A 38 -8.032 1.484 -7.402 1.00 12.00 C ATOM 0 HA PRO A 38 -6.596 1.645 -4.499 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.480 3.375 -6.385 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.336 1.638 -6.570 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.417 3.500 -7.847 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.450 2.270 -8.636 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.965 1.686 -7.928 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.716 0.481 -7.688 1.00 12.00 H new ATOM 610 N ASP A 39 -8.387 4.277 -4.921 1.00 11.20 N ATOM 611 CA ASP A 39 -8.668 5.575 -4.259 1.00 14.96 C ATOM 612 C ASP A 39 -9.226 5.385 -2.845 1.00 13.99 C ATOM 613 O ASP A 39 -8.950 6.178 -1.943 1.00 13.75 O ATOM 614 CB ASP A 39 -9.570 6.520 -5.148 1.00 24.16 C ATOM 615 CG ASP A 39 -8.836 7.166 -6.238 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.458 6.419 -7.197 1.00 34.22 O ATOM 617 OD2 ASP A 39 -8.573 8.370 -6.302 1.00 35.55 O ATOM 0 H ASP A 39 -8.984 4.059 -5.719 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.713 6.088 -4.149 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.391 5.938 -5.567 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.015 7.287 -4.514 1.00 24.16 H new ATOM 622 N GLN A 40 -9.770 4.180 -2.562 1.00 11.60 N ATOM 623 CA GLN A 40 -10.250 3.692 -1.273 1.00 10.76 C ATOM 624 C GLN A 40 -9.125 3.103 -0.473 1.00 8.01 C ATOM 625 O GLN A 40 -9.332 2.810 0.691 1.00 8.96 O ATOM 626 CB GLN A 40 -11.528 2.762 -1.264 1.00 11.14 C ATOM 627 CG GLN A 40 -12.703 3.328 -2.117 1.00 14.85 C ATOM 628 CD GLN A 40 -13.844 2.321 -2.307 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.779 1.241 -1.693 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.804 2.566 -3.230 1.00 18.16 N ATOM 0 H GLN A 40 -9.889 3.478 -3.293 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.627 4.595 -0.792 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.255 1.776 -1.641 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.865 2.628 -0.236 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.094 4.225 -1.637 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.324 3.628 -3.094 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.828 3.463 -3.715 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.503 1.854 -3.440 1.00 18.16 H new ATOM 639 N GLN A 41 -7.898 2.910 -0.974 1.00 6.52 N ATOM 640 CA GLN A 41 -6.924 2.252 -0.210 1.00 3.87 C ATOM 641 C GLN A 41 -6.014 3.180 0.532 1.00 4.79 C ATOM 642 O GLN A 41 -5.271 3.919 -0.094 1.00 6.34 O ATOM 643 CB GLN A 41 -6.065 1.391 -1.116 1.00 4.20 C ATOM 644 CG GLN A 41 -6.731 0.257 -1.845 1.00 3.20 C ATOM 645 CD GLN A 41 -5.770 -0.385 -2.827 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.564 -0.584 -2.473 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.180 -0.928 -3.948 1.00 7.13 N ATOM 0 H GLN A 41 -7.594 3.210 -1.900 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.469 1.659 0.525 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.605 2.042 -1.859 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.258 0.974 -0.514 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.079 -0.488 -1.129 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.609 0.625 -2.375 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.141 -0.788 -4.261 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.538 -1.490 -4.507 1.00 7.13 H new ATOM 656 N ARG A 42 -5.998 3.121 1.875 1.00 5.73 N ATOM 657 CA ARG A 42 -5.121 3.941 2.685 1.00 6.97 C ATOM 658 C ARG A 42 -4.043 3.066 3.271 1.00 7.15 C ATOM 659 O ARG A 42 -4.379 2.107 3.944 1.00 7.33 O ATOM 660 CB ARG A 42 -5.865 4.789 3.779 1.00 13.23 C ATOM 661 CG ARG A 42 -7.057 5.556 3.203 1.00 21.27 C ATOM 662 CD ARG A 42 -7.272 6.751 4.107 1.00 26.14 C ATOM 663 NE ARG A 42 -8.493 7.417 3.576 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.739 8.686 3.811 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.048 9.434 4.695 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.632 9.351 3.090 1.00 36.39 N ATOM 0 H ARG A 42 -6.598 2.499 2.416 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.671 4.692 2.035 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.210 4.129 4.575 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.165 5.493 4.229 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.857 5.874 2.180 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.946 4.926 3.173 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.409 6.443 5.144 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.414 7.423 4.085 1.00 26.14 H new ATOM 0 HE ARG A 42 -9.153 6.876 3.017 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.284 9.018 5.227 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.289 10.416 4.831 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.138 8.877 2.342 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.813 10.336 3.284 1.00 36.39 H new ATOM 680 N LEU A 43 -2.790 3.441 2.976 1.00 4.65 N ATOM 681 CA LEU A 43 -1.524 2.767 3.412 1.00 3.51 C ATOM 682 C LEU A 43 -0.995 3.492 4.566 1.00 5.56 C ATOM 683 O LEU A 43 -0.557 4.661 4.454 1.00 4.19 O ATOM 684 CB LEU A 43 -0.475 2.574 2.310 1.00 3.74 C ATOM 685 CG LEU A 43 -0.812 1.450 1.298 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.253 1.295 0.194 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.013 0.170 2.149 1.00 6.41 C ATOM 0 H LEU A 43 -2.605 4.262 2.399 1.00 4.65 H new ATOM 0 HA LEU A 43 -1.776 1.743 3.687 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.358 3.512 1.767 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.486 2.353 2.774 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.715 1.683 0.734 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.039 0.493 -0.483 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.338 2.228 -0.363 1.00 9.55 H new ATOM 0 HD13 LEU A 43 1.215 1.055 0.647 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.255 -0.668 1.495 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.097 -0.050 2.697 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.829 0.327 2.855 1.00 6.41 H new ATOM 699 N ILE A 44 -0.903 2.835 5.717 1.00 4.58 N ATOM 700 CA ILE A 44 -0.260 3.333 6.895 1.00 5.55 C ATOM 701 C ILE A 44 1.078 2.552 7.119 1.00 5.46 C ATOM 702 O ILE A 44 1.196 1.332 7.021 1.00 6.04 O ATOM 703 CB ILE A 44 -1.213 3.368 8.129 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.363 4.380 7.742 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.484 3.746 9.427 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.551 4.275 8.795 1.00 13.90 C ATOM 0 H ILE A 44 -1.296 1.902 5.844 1.00 4.58 H new ATOM 0 HA ILE A 44 0.001 4.382 6.753 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.622 2.381 8.347 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.973 5.397 7.721 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.732 4.159 6.740 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.194 3.755 10.254 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.300 3.016 9.630 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.039 4.735 9.320 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.341 4.975 8.523 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.949 3.260 8.794 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.178 4.518 9.790 1.00 13.90 H new ATOM 718 N PHE A 45 2.159 3.300 7.402 1.00 6.75 N ATOM 719 CA PHE A 45 3.452 2.670 7.664 1.00 4.70 C ATOM 720 C PHE A 45 4.250 3.819 8.291 1.00 6.34 C ATOM 721 O PHE A 45 4.020 5.027 8.020 1.00 5.45 O ATOM 722 CB PHE A 45 4.034 2.256 6.318 1.00 5.51 C ATOM 723 CG PHE A 45 5.519 1.773 6.457 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.724 0.532 7.006 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.614 2.543 5.977 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.038 0.011 7.070 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.931 2.009 6.080 1.00 6.64 C ATOM 728 CZ PHE A 45 8.133 0.757 6.655 1.00 6.84 C ATOM 0 H PHE A 45 2.159 4.319 7.453 1.00 6.75 H new ATOM 0 HA PHE A 45 3.434 1.785 8.300 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.429 1.457 5.889 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.987 3.097 5.626 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.891 -0.041 7.385 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.450 3.517 5.541 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.192 -0.988 7.450 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.773 2.576 5.712 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.134 0.369 6.777 1.00 6.84 H new ATOM 738 N ALA A 46 5.247 3.538 9.135 1.00 6.53 N ATOM 739 CA ALA A 46 6.244 4.486 9.658 1.00 7.15 C ATOM 740 C ALA A 46 5.663 5.807 10.315 1.00 9.00 C ATOM 741 O ALA A 46 6.222 6.891 10.148 1.00 11.15 O ATOM 742 CB ALA A 46 7.347 4.723 8.668 1.00 8.99 C ATOM 0 H ALA A 46 5.391 2.594 9.493 1.00 6.53 H new ATOM 0 HA ALA A 46 6.688 3.988 10.520 1.00 7.15 H new ATOM 0 HB1 ALA A 46 8.066 5.428 9.086 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.848 3.780 8.449 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.929 5.133 7.749 1.00 8.99 H new ATOM 748 N GLY A 47 4.561 5.717 11.025 1.00 9.35 N ATOM 749 CA GLY A 47 3.932 6.837 11.749 1.00 11.68 C ATOM 750 C GLY A 47 3.111 7.764 10.869 1.00 11.14 C ATOM 751 O GLY A 47 2.809 8.897 11.258 1.00 13.93 O ATOM 0 H GLY A 47 4.049 4.841 11.128 1.00 9.35 H new ATOM 0 HA2 GLY A 47 3.290 6.434 12.532 1.00 11.68 H new ATOM 0 HA3 GLY A 47 4.710 7.418 12.243 1.00 11.68 H new ATOM 755 N LYS A 48 2.886 7.383 9.564 1.00 10.47 N ATOM 756 CA LYS A 48 2.456 8.250 8.524 1.00 8.82 C ATOM 757 C LYS A 48 1.511 7.551 7.583 1.00 7.68 C ATOM 758 O LYS A 48 1.225 6.319 7.579 1.00 6.47 O ATOM 759 CB LYS A 48 3.647 8.743 7.672 1.00 9.74 C ATOM 760 CG LYS A 48 4.577 9.795 8.343 1.00 14.14 C ATOM 761 CD LYS A 48 5.757 10.176 7.495 1.00 16.32 C ATOM 762 CE LYS A 48 6.748 9.000 7.080 1.00 20.04 C ATOM 763 NZ LYS A 48 7.547 8.584 8.243 1.00 23.92 N ATOM 0 H LYS A 48 3.018 6.422 9.248 1.00 10.47 H new ATOM 0 HA LYS A 48 1.962 9.087 9.016 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.251 7.879 7.393 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.255 9.170 6.749 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.997 10.690 8.569 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.935 9.399 9.293 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.384 10.645 6.584 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.331 10.932 8.031 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.180 8.153 6.696 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.405 9.333 6.277 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.381 8.053 7.919 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.855 9.425 8.771 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.970 7.979 8.862 1.00 23.92 H new ATOM 777 N GLN A 49 0.821 8.360 6.679 1.00 8.89 N ATOM 778 CA GLN A 49 0.143 7.819 5.545 1.00 7.18 C ATOM 779 C GLN A 49 1.061 7.932 4.362 1.00 8.23 C ATOM 780 O GLN A 49 1.881 8.805 4.332 1.00 9.70 O ATOM 781 CB GLN A 49 -1.091 8.600 5.192 1.00 11.67 C ATOM 782 CG GLN A 49 -2.091 8.667 6.376 1.00 15.82 C ATOM 783 CD GLN A 49 -3.388 9.272 5.919 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.260 8.691 5.247 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.560 10.544 6.310 1.00 20.67 N ATOM 0 H GLN A 49 0.754 9.374 6.763 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.136 6.793 5.786 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.809 9.611 4.897 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.577 8.141 4.331 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.266 7.667 6.772 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.669 9.261 7.186 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.839 11.010 6.860 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.412 11.045 6.057 1.00 20.67 H new ATOM 794 N LEU A 50 0.976 7.006 3.418 1.00 6.51 N ATOM 795 CA LEU A 50 1.855 6.991 2.205 1.00 7.41 C ATOM 796 C LEU A 50 1.151 7.680 1.061 1.00 8.27 C ATOM 797 O LEU A 50 -0.089 7.472 0.887 1.00 8.34 O ATOM 798 CB LEU A 50 2.163 5.497 1.753 1.00 7.13 C ATOM 799 CG LEU A 50 2.802 4.565 2.755 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.173 3.145 2.256 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.040 5.144 3.378 1.00 9.11 C ATOM 0 H LEU A 50 0.307 6.237 3.449 1.00 6.51 H new ATOM 0 HA LEU A 50 2.784 7.502 2.456 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.224 5.046 1.431 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.812 5.541 0.878 1.00 7.13 H new ATOM 0 HG LEU A 50 1.992 4.456 3.476 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.623 2.579 3.072 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.274 2.634 1.912 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.884 3.223 1.433 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.457 4.431 4.090 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.775 5.353 2.601 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.788 6.069 3.897 1.00 9.11 H new ATOM 813 N GLU A 51 1.743 8.475 0.218 1.00 9.43 N ATOM 814 CA GLU A 51 1.194 9.146 -1.001 1.00 11.90 C ATOM 815 C GLU A 51 1.519 8.485 -2.369 1.00 11.49 C ATOM 816 O GLU A 51 2.625 8.075 -2.672 1.00 9.88 O ATOM 817 CB GLU A 51 1.591 10.631 -0.883 1.00 16.56 C ATOM 818 CG GLU A 51 1.075 11.395 0.371 1.00 26.06 C ATOM 819 CD GLU A 51 1.314 12.887 0.241 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.885 13.376 -0.770 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.807 13.580 1.159 1.00 33.44 O ATOM 0 H GLU A 51 2.725 8.716 0.350 1.00 9.43 H new ATOM 0 HA GLU A 51 0.110 9.030 -1.015 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.679 10.694 -0.896 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.231 11.151 -1.771 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.010 11.205 0.503 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.579 11.020 1.262 1.00 26.06 H new ATOM 828 N ASP A 52 0.482 8.432 -3.188 1.00 12.71 N ATOM 829 CA ASP A 52 0.321 7.856 -4.530 1.00 16.56 C ATOM 830 C ASP A 52 1.462 8.176 -5.499 1.00 15.83 C ATOM 831 O ASP A 52 2.005 7.368 -6.258 1.00 17.21 O ATOM 832 CB ASP A 52 -0.994 8.357 -5.192 1.00 21.05 C ATOM 833 CG ASP A 52 -2.128 8.049 -4.231 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.579 6.896 -4.163 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.579 9.016 -3.542 1.00 25.82 O ATOM 0 H ASP A 52 -0.399 8.851 -2.890 1.00 12.71 H new ATOM 0 HA ASP A 52 0.310 6.779 -4.361 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.940 9.427 -5.393 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.156 7.861 -6.149 1.00 21.05 H new ATOM 840 N GLY A 53 1.920 9.433 -5.542 1.00 15.00 N ATOM 841 CA GLY A 53 2.990 10.046 -6.377 1.00 11.77 C ATOM 842 C GLY A 53 4.371 9.817 -5.844 1.00 11.10 C ATOM 843 O GLY A 53 5.353 10.186 -6.486 1.00 11.25 O ATOM 0 H GLY A 53 1.510 10.135 -4.926 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.928 9.641 -7.387 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.811 11.119 -6.452 1.00 11.77 H new ATOM 847 N ARG A 54 4.529 9.206 -4.648 1.00 8.53 N ATOM 848 CA ARG A 54 5.807 8.881 -4.019 1.00 9.05 C ATOM 849 C ARG A 54 6.226 7.418 -4.184 1.00 8.96 C ATOM 850 O ARG A 54 5.411 6.644 -4.669 1.00 11.60 O ATOM 851 CB ARG A 54 5.850 9.261 -2.550 1.00 7.97 C ATOM 852 CG ARG A 54 5.355 10.684 -2.378 1.00 9.62 C ATOM 853 CD ARG A 54 5.832 11.294 -1.004 1.00 12.20 C ATOM 854 NE ARG A 54 4.961 12.456 -0.792 1.00 18.23 N ATOM 855 CZ ARG A 54 5.142 13.301 0.240 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.196 13.122 1.060 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.272 14.273 0.488 1.00 23.38 N ATOM 0 H ARG A 54 3.731 8.919 -4.081 1.00 8.53 H new ATOM 0 HA ARG A 54 6.530 9.491 -4.561 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.231 8.577 -1.969 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.868 9.171 -2.170 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.721 11.301 -3.199 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.266 10.701 -2.428 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.733 10.571 -0.194 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.881 11.587 -1.043 1.00 12.20 H new ATOM 0 HE ARG A 54 4.197 12.628 -1.445 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.846 12.353 0.895 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.344 13.755 1.846 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.452 14.388 -0.108 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.424 14.905 1.274 1.00 23.38 H new ATOM 871 N THR A 55 7.458 7.017 -3.927 1.00 9.05 N ATOM 872 CA THR A 55 7.977 5.706 -4.340 1.00 9.03 C ATOM 873 C THR A 55 8.293 4.873 -3.063 1.00 8.15 C ATOM 874 O THR A 55 8.338 5.356 -1.923 1.00 5.91 O ATOM 875 CB THR A 55 9.175 5.644 -5.234 1.00 11.15 C ATOM 876 OG1 THR A 55 10.277 6.315 -4.707 1.00 11.95 O ATOM 877 CG2 THR A 55 8.782 6.190 -6.605 1.00 11.71 C ATOM 0 H THR A 55 8.138 7.587 -3.424 1.00 9.05 H new ATOM 0 HA THR A 55 7.172 5.315 -4.963 1.00 9.03 H new ATOM 0 HB THR A 55 9.491 4.605 -5.326 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.018 5.684 -4.588 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.643 6.153 -7.272 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.976 5.585 -7.020 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.446 7.222 -6.503 1.00 11.71 H new ATOM 885 N LEU A 56 8.393 3.535 -3.267 1.00 6.91 N ATOM 886 CA LEU A 56 8.829 2.705 -2.153 1.00 8.29 C ATOM 887 C LEU A 56 10.203 3.031 -1.562 1.00 8.05 C ATOM 888 O LEU A 56 10.333 3.001 -0.328 1.00 10.17 O ATOM 889 CB LEU A 56 8.732 1.180 -2.591 1.00 6.60 C ATOM 890 CG LEU A 56 7.295 0.702 -2.796 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.333 -0.595 -3.576 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.396 0.592 -1.562 1.00 8.64 C ATOM 0 H LEU A 56 8.189 3.047 -4.139 1.00 6.91 H new ATOM 0 HA LEU A 56 8.152 2.927 -1.328 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.290 1.038 -3.516 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.209 0.560 -1.832 1.00 6.60 H new ATOM 0 HG LEU A 56 6.803 1.503 -3.349 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.316 -0.955 -3.734 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.812 -0.426 -4.540 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.898 -1.340 -3.016 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.408 0.241 -1.861 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.833 -0.114 -0.855 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.306 1.570 -1.089 1.00 8.64 H new ATOM 904 N SER A 57 11.209 3.367 -2.421 1.00 8.92 N ATOM 905 CA SER A 57 12.457 3.882 -1.958 1.00 9.00 C ATOM 906 C SER A 57 12.362 5.164 -1.197 1.00 9.44 C ATOM 907 O SER A 57 13.116 5.386 -0.285 1.00 10.91 O ATOM 908 CB SER A 57 13.606 4.046 -3.072 1.00 10.32 C ATOM 909 OG SER A 57 13.073 5.043 -4.022 1.00 13.59 O ATOM 0 H SER A 57 11.143 3.276 -3.435 1.00 8.92 H new ATOM 0 HA SER A 57 12.756 3.082 -1.281 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.542 4.384 -2.628 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.813 3.098 -3.569 1.00 10.32 H new ATOM 0 HG SER A 57 13.727 5.197 -4.736 1.00 13.59 H new ATOM 915 N ASP A 58 11.396 6.035 -1.617 1.00 9.11 N ATOM 916 CA ASP A 58 11.289 7.416 -1.087 1.00 7.91 C ATOM 917 C ASP A 58 10.746 7.353 0.352 1.00 9.12 C ATOM 918 O ASP A 58 10.907 8.235 1.198 1.00 8.61 O ATOM 919 CB ASP A 58 10.324 8.236 -2.012 1.00 8.41 C ATOM 920 CG ASP A 58 10.507 9.767 -1.826 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.586 10.207 -1.447 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.590 10.520 -2.156 1.00 11.70 O ATOM 0 H ASP A 58 10.690 5.801 -2.315 1.00 9.11 H new ATOM 0 HA ASP A 58 12.263 7.904 -1.074 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.508 7.972 -3.053 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.292 7.964 -1.792 1.00 8.41 H new ATOM 927 N TYR A 59 9.966 6.289 0.696 1.00 7.97 N ATOM 928 CA TYR A 59 9.490 6.013 2.049 1.00 8.45 C ATOM 929 C TYR A 59 10.380 5.141 2.884 1.00 10.98 C ATOM 930 O TYR A 59 10.154 4.855 4.041 1.00 12.95 O ATOM 931 CB TYR A 59 8.075 5.441 2.001 1.00 7.94 C ATOM 932 CG TYR A 59 7.067 6.544 1.734 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.009 7.566 2.664 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.121 6.612 0.650 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.024 8.560 2.577 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.186 7.620 0.516 1.00 6.52 C ATOM 937 CZ TYR A 59 5.040 8.552 1.569 1.00 6.76 C ATOM 938 OH TYR A 59 4.076 9.574 1.492 1.00 7.63 O ATOM 0 H TYR A 59 9.654 5.597 0.015 1.00 7.97 H new ATOM 0 HA TYR A 59 9.499 6.979 2.554 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.009 4.683 1.221 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.843 4.948 2.945 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.731 7.599 3.467 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.144 5.833 -0.098 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.020 9.357 3.306 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.579 7.695 -0.374 1.00 6.52 H new ATOM 0 HH TYR A 59 4.455 10.408 1.841 1.00 7.63 H new ATOM 948 N ASN A 60 11.488 4.692 2.240 1.00 12.38 N ATOM 949 CA ASN A 60 12.595 3.782 2.641 1.00 13.94 C ATOM 950 C ASN A 60 12.042 2.439 2.892 1.00 14.16 C ATOM 951 O ASN A 60 12.348 1.737 3.877 1.00 14.26 O ATOM 952 CB ASN A 60 13.334 4.311 3.895 1.00 19.23 C ATOM 953 CG ASN A 60 14.108 5.589 3.635 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.500 6.681 3.559 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.431 5.469 3.472 1.00 24.09 N ATOM 0 H ASN A 60 11.648 5.008 1.284 1.00 12.38 H new ATOM 0 HA ASN A 60 13.325 3.734 1.833 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.609 4.488 4.689 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.020 3.545 4.255 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.997 6.294 3.275 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.873 4.553 3.545 1.00 24.09 H new ATOM 962 N ILE A 61 11.185 1.877 1.996 1.00 11.08 N ATOM 963 CA ILE A 61 10.514 0.573 2.194 1.00 11.78 C ATOM 964 C ILE A 61 11.410 -0.609 1.648 1.00 13.74 C ATOM 965 O ILE A 61 11.960 -0.447 0.564 1.00 14.60 O ATOM 966 CB ILE A 61 9.149 0.635 1.596 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.288 1.566 2.435 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.470 -0.760 1.555 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.042 2.004 1.687 1.00 11.42 C ATOM 0 H ILE A 61 10.942 2.324 1.112 1.00 11.08 H new ATOM 0 HA ILE A 61 10.387 0.362 3.256 1.00 11.78 H new ATOM 0 HB ILE A 61 9.247 0.997 0.573 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.000 1.063 3.358 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.870 2.443 2.718 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.478 -0.669 1.112 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.074 -1.441 0.955 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.380 -1.151 2.569 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.453 2.668 2.319 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.330 2.530 0.777 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.447 1.128 1.427 1.00 11.42 H new ATOM 981 N GLN A 62 11.560 -1.678 2.423 1.00 13.97 N ATOM 982 CA GLN A 62 12.567 -2.694 2.269 1.00 15.52 C ATOM 983 C GLN A 62 11.962 -4.076 2.214 1.00 13.94 C ATOM 984 O GLN A 62 10.772 -4.286 2.642 1.00 12.15 O ATOM 985 CB GLN A 62 13.632 -2.579 3.480 1.00 19.53 C ATOM 986 CG GLN A 62 14.297 -1.168 3.614 1.00 26.38 C ATOM 987 CD GLN A 62 15.324 -1.249 4.742 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.329 -1.995 4.596 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.020 -0.649 5.905 1.00 32.71 N ATOM 0 H GLN A 62 10.943 -1.858 3.215 1.00 13.97 H new ATOM 0 HA GLN A 62 13.079 -2.534 1.320 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.129 -2.822 4.416 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.413 -3.325 3.335 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.777 -0.880 2.679 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.546 -0.409 3.833 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.194 -0.054 5.971 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.615 -0.788 6.722 1.00 32.71 H new ATOM 998 N LYS A 63 12.731 -5.134 1.734 1.00 11.73 N ATOM 999 CA LYS A 63 12.247 -6.483 1.886 1.00 11.97 C ATOM 1000 C LYS A 63 11.707 -6.897 3.227 1.00 10.41 C ATOM 1001 O LYS A 63 12.217 -6.430 4.293 1.00 9.59 O ATOM 1002 CB LYS A 63 13.405 -7.481 1.519 1.00 13.73 C ATOM 1003 CG LYS A 63 13.223 -8.967 1.846 1.00 16.98 C ATOM 1004 CD LYS A 63 14.615 -9.639 1.574 1.00 20.19 C ATOM 1005 CE LYS A 63 14.742 -11.100 1.878 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.058 -11.597 1.629 1.00 25.97 N ATOM 0 H LYS A 63 13.634 -5.041 1.270 1.00 11.73 H new ATOM 0 HA LYS A 63 11.386 -6.514 1.219 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.587 -7.398 0.448 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.309 -7.139 2.023 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.919 -9.105 2.884 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.446 -9.412 1.224 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.862 -9.490 0.523 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.367 -9.106 2.157 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.482 -11.275 2.922 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.026 -11.657 1.274 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.094 -12.612 1.854 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.298 -11.456 0.627 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.741 -11.086 2.224 1.00 25.97 H new ATOM 1020 N GLU A 64 10.706 -7.717 3.195 1.00 10.04 N ATOM 1021 CA GLU A 64 9.899 -8.208 4.358 1.00 10.94 C ATOM 1022 C GLU A 64 9.424 -7.045 5.285 1.00 9.74 C ATOM 1023 O GLU A 64 9.440 -7.198 6.517 1.00 9.42 O ATOM 1024 CB GLU A 64 10.647 -9.331 5.172 1.00 18.31 C ATOM 1025 CG GLU A 64 10.867 -10.592 4.268 1.00 24.16 C ATOM 1026 CD GLU A 64 11.736 -11.604 5.067 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.470 -11.848 6.309 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.775 -12.015 4.495 1.00 32.61 O ATOM 0 H GLU A 64 10.377 -8.111 2.314 1.00 10.04 H new ATOM 0 HA GLU A 64 9.003 -8.663 3.936 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.607 -8.956 5.527 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.065 -9.602 6.053 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.911 -11.040 3.998 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.363 -10.314 3.338 1.00 24.16 H new ATOM 1035 N SER A 65 9.013 -5.886 4.711 1.00 6.85 N ATOM 1036 CA SER A 65 8.200 -4.846 5.330 1.00 6.90 C ATOM 1037 C SER A 65 6.786 -5.297 5.573 1.00 4.72 C ATOM 1038 O SER A 65 6.209 -6.079 4.873 1.00 3.91 O ATOM 1039 CB SER A 65 8.051 -3.518 4.511 1.00 7.28 C ATOM 1040 OG SER A 65 9.330 -2.872 4.316 1.00 10.56 O ATOM 0 H SER A 65 9.262 -5.654 3.750 1.00 6.85 H new ATOM 0 HA SER A 65 8.757 -4.652 6.247 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.600 -3.735 3.543 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.375 -2.841 5.033 1.00 7.28 H new ATOM 0 HG SER A 65 9.877 -3.408 3.705 1.00 10.56 H new ATOM 1046 N THR A 66 6.009 -4.733 6.569 1.00 4.48 N ATOM 1047 CA THR A 66 4.573 -4.958 6.746 1.00 3.80 C ATOM 1048 C THR A 66 3.897 -3.560 6.641 1.00 4.60 C ATOM 1049 O THR A 66 4.135 -2.693 7.428 1.00 5.33 O ATOM 1050 CB THR A 66 4.051 -5.560 8.048 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.540 -6.885 8.149 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.473 -5.672 7.967 1.00 3.40 C ATOM 0 H THR A 66 6.399 -4.102 7.269 1.00 4.48 H new ATOM 0 HA THR A 66 4.340 -5.707 5.989 1.00 3.80 H new ATOM 0 HB THR A 66 4.363 -4.941 8.890 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.217 -7.290 8.981 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.091 -6.101 8.893 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.045 -4.680 7.823 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.196 -6.312 7.129 1.00 3.40 H new ATOM 1060 N LEU A 67 3.012 -3.449 5.672 1.00 4.17 N ATOM 1061 CA LEU A 67 2.234 -2.187 5.505 1.00 3.85 C ATOM 1062 C LEU A 67 0.843 -2.451 6.093 1.00 3.80 C ATOM 1063 O LEU A 67 0.182 -3.490 5.925 1.00 5.54 O ATOM 1064 CB LEU A 67 2.097 -1.761 3.974 1.00 7.18 C ATOM 1065 CG LEU A 67 3.442 -1.488 3.258 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.240 -1.179 1.772 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.269 -0.323 3.874 1.00 11.66 C ATOM 0 H LEU A 67 2.800 -4.181 4.994 1.00 4.17 H new ATOM 0 HA LEU A 67 2.748 -1.369 6.011 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.568 -2.549 3.437 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.480 -0.865 3.914 1.00 7.18 H new ATOM 0 HG LEU A 67 4.003 -2.413 3.392 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.207 -0.993 1.304 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.759 -2.028 1.286 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.610 -0.296 1.666 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.196 -0.198 3.314 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.690 0.599 3.827 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.502 -0.552 4.914 1.00 11.66 H new ATOM 1079 N HIS A 68 0.258 -1.406 6.674 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.077 -1.459 7.180 1.00 4.17 C ATOM 1081 C HIS A 68 -2.016 -0.925 6.128 1.00 5.32 C ATOM 1082 O HIS A 68 -1.694 -0.039 5.293 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.190 -0.579 8.475 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.315 -0.958 9.661 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.033 -0.759 9.576 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.487 -1.759 10.753 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.613 -1.470 10.573 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.745 -2.129 11.365 1.00 16.30 N ATOM 0 H HIS A 68 0.714 -0.502 6.799 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.336 -2.489 7.426 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.960 0.451 8.203 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.229 -0.597 8.804 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.454 -2.078 11.114 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.682 -1.505 10.721 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.920 -2.725 12.174 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.218 -1.503 5.981 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.114 -1.131 4.872 1.00 3.97 C ATOM 1098 C LEU A 69 -5.440 -0.957 5.493 1.00 5.07 C ATOM 1099 O LEU A 69 -5.914 -1.841 6.207 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.315 -2.097 3.684 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.584 -1.800 2.712 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.252 -0.546 1.813 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.747 -3.041 1.822 1.00 9.96 C ATOM 0 H LEU A 69 -3.589 -2.219 6.605 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.635 -0.267 4.412 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.410 -2.083 3.077 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.418 -3.107 4.080 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.493 -1.598 3.278 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.096 -0.336 1.156 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.064 0.319 2.450 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.367 -0.753 1.212 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.589 -2.896 1.146 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.838 -3.194 1.241 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.930 -3.915 2.447 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.979 0.241 5.323 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.302 0.639 5.748 1.00 6.26 C ATOM 1117 C VAL A 70 -8.105 0.991 4.502 1.00 9.22 C ATOM 1118 O VAL A 70 -7.634 1.677 3.570 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.295 1.848 6.666 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.703 2.221 7.192 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.329 1.497 7.817 1.00 8.54 C ATOM 0 H VAL A 70 -5.475 0.997 4.860 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.735 -0.190 6.307 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.969 2.734 6.122 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.629 3.093 7.842 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.357 2.450 6.351 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.115 1.383 7.754 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.279 2.331 8.517 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.689 0.609 8.336 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.336 1.303 7.412 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.375 0.577 4.447 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.231 0.834 3.310 1.00 16.06 C ATOM 1133 C LEU A 71 -11.258 1.795 3.833 1.00 18.09 C ATOM 1134 O LEU A 71 -11.686 1.726 4.957 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.868 -0.432 2.789 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.852 -1.511 2.327 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.485 -2.810 1.872 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.854 -0.975 1.268 1.00 19.57 C ATOM 0 H LEU A 71 -9.828 0.054 5.196 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.678 1.238 2.462 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.501 -0.855 3.569 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.519 -0.180 1.952 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.288 -1.752 3.228 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.705 -3.507 1.567 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.058 -3.243 2.692 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.148 -2.616 1.029 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.167 -1.771 0.980 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.403 -0.635 0.390 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.290 -0.142 1.688 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.585 2.803 3.002 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.989 4.118 3.493 1.00 25.83 C ATOM 1152 C ARG A 72 -12.033 5.036 2.291 1.00 27.74 C ATOM 1153 O ARG A 72 -11.093 5.210 1.502 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.126 4.834 4.539 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.575 6.241 4.866 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.118 6.726 6.237 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.235 8.245 6.268 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.602 9.164 6.971 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.581 8.899 7.776 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.951 10.434 6.887 1.00 35.02 N ATOM 0 H ARG A 72 -11.575 2.723 1.985 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.926 3.917 4.012 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -11.125 4.244 5.456 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.097 4.869 4.181 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.194 6.921 4.104 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.663 6.286 4.818 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -11.731 6.281 7.021 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.089 6.420 6.425 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.933 8.621 5.626 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.246 7.941 7.876 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.131 9.653 8.295 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.717 10.713 6.274 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.455 11.137 7.435 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.216 5.699 2.043 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.319 6.580 0.890 1.00 30.76 C ATOM 1176 C LEU A 73 -12.313 7.722 0.844 1.00 32.18 C ATOM 1177 O LEU A 73 -11.791 8.245 1.826 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.733 7.190 0.813 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.916 6.230 0.878 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.200 7.050 0.689 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.776 5.179 -0.296 1.00 29.11 C ATOM 0 H LEU A 73 -14.058 5.627 2.614 1.00 28.93 H new ATOM 0 HA LEU A 73 -13.097 5.935 0.039 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.836 7.906 1.628 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -14.807 7.753 -0.117 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.945 5.705 1.833 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -18.064 6.387 0.731 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.275 7.796 1.481 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.173 7.550 -0.279 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.615 4.484 -0.264 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -15.773 5.701 -1.253 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.843 4.627 -0.181 1.00 29.11 H new ATOM 1193 N ARG A 74 -11.957 8.133 -0.372 1.00 33.82 N ATOM 1194 CA ARG A 74 -10.984 9.228 -0.575 1.00 35.33 C ATOM 1195 C ARG A 74 -11.265 10.598 -0.069 1.00 36.22 C ATOM 1196 O ARG A 74 -10.439 11.247 0.577 1.00 36.70 O ATOM 1197 CB ARG A 74 -10.562 9.219 -2.093 1.00 36.91 C ATOM 1198 CG ARG A 74 -9.336 10.189 -2.315 1.00 38.62 C ATOM 1199 CD ARG A 74 -8.075 9.749 -1.571 1.00 39.75 C ATOM 1200 NE ARG A 74 -6.921 10.264 -2.338 1.00 41.13 N ATOM 1201 CZ ARG A 74 -6.268 11.382 -2.031 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -6.241 11.960 -0.843 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -5.644 11.988 -3.045 1.00 41.93 N ATOM 0 H ARG A 74 -12.322 7.731 -1.236 1.00 33.82 H new ATOM 0 HA ARG A 74 -10.171 8.982 0.108 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -10.297 8.207 -2.400 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -11.401 9.531 -2.715 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -9.118 10.250 -3.381 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -9.611 11.192 -1.988 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -8.069 10.143 -0.555 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -8.032 8.663 -1.492 1.00 39.75 H new ATOM 0 HE ARG A 74 -6.607 9.732 -3.149 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -6.752 11.547 -0.063 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -5.709 12.819 -0.706 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -5.688 11.589 -3.983 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -5.124 12.850 -2.882 1.00 41.93 H new ATOM 1217 N GLY A 75 -12.473 11.068 -0.342 1.00 36.31 N ATOM 1218 CA GLY A 75 -12.916 12.351 0.201 1.00 36.07 C ATOM 1219 C GLY A 75 -13.379 12.241 1.671 1.00 36.16 C ATOM 1220 O GLY A 75 -13.828 13.248 2.184 1.00 36.26 O ATOM 0 H GLY A 75 -13.158 10.591 -0.928 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -12.101 13.072 0.133 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -13.735 12.736 -0.407 1.00 36.07 H new ATOM 1224 N GLY A 76 -13.494 10.969 2.197 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.301 10.632 3.413 1.00 36.19 C ATOM 1226 C GLY A 76 -13.594 10.346 4.747 1.00 36.20 C ATOM 1227 O GLY A 76 -13.499 9.157 5.090 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.015 11.293 5.315 1.00 0.00 O ATOM 0 H GLY A 76 -13.029 10.159 1.786 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.992 11.457 3.583 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.903 9.756 3.171 1.00 36.19 H new TER 1232 GLY A 76