USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 180:sc= 0.107 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot -170:sc= 0.248 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.37 K(o=0.62,f=-3.4!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.0137 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.00307 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -177:sc= 1.17 (180deg=-0.085) USER MOD Set 4.2: A 12 THR OG1 : rot 170:sc= 1.03 USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.00537) USER MOD Single : A 1 MET N :NH3+ -166:sc= 2.27 (180deg=2.1) USER MOD Single : A 2 GLN : amide:sc= -0.048 X(o=-0.048,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 179:sc= 0.489 (180deg=0.488) USER MOD Single : A 14 THR OG1 : rot -69:sc= 0.165 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0325 USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 2.41 (180deg=2.33) USER MOD Single : A 29 LYS NZ :NH3+ 152:sc= 1.03 (180deg=0.543) USER MOD Single : A 31 GLN : amide:sc= -1.81 X(o=-1.8,f=-1.8) USER MOD Single : A 33 LYS NZ :NH3+ -129:sc= 0.615 (180deg=-0.0585) USER MOD Single : A 40 GLN : amide:sc= -0.051 K(o=-0.051,f=-1.5!) USER MOD Single : A 41 GLN : amide:sc= 2.06 K(o=2.1,f=-4.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 59 TYR OH : rot 60:sc= 0.199 USER MOD Single : A 60 ASN : amide:sc= -0.0167 K(o=-0.017,f=-0.82) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.890 -7.615 -5.229 1.00 9.67 N ATOM 2 CA MET A 1 11.088 -7.808 -3.798 1.00 10.38 C ATOM 3 C MET A 1 9.681 -8.045 -3.142 1.00 9.62 C ATOM 4 O MET A 1 8.775 -7.379 -3.626 1.00 9.62 O ATOM 5 CB MET A 1 11.805 -6.680 -3.072 1.00 13.77 C ATOM 6 CG MET A 1 11.108 -5.297 -2.908 1.00 16.29 C ATOM 7 SD MET A 1 12.086 -4.248 -1.757 1.00 17.17 S ATOM 8 CE MET A 1 10.807 -2.988 -1.872 1.00 16.11 C ATOM 0 H1 MET A 1 11.804 -7.693 -5.719 1.00 9.67 H new ATOM 0 H2 MET A 1 10.240 -8.342 -5.591 1.00 9.67 H new ATOM 0 H3 MET A 1 10.485 -6.673 -5.399 1.00 9.67 H new ATOM 0 HA MET A 1 11.753 -8.666 -3.695 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.050 -7.041 -2.073 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.749 -6.509 -3.590 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.019 -4.806 -3.877 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.097 -5.431 -2.524 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.090 -2.126 -1.267 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.692 -2.680 -2.911 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.863 -3.393 -1.507 1.00 16.11 H new ATOM 20 N GLN A 2 9.551 -9.004 -2.199 1.00 9.27 N ATOM 21 CA GLN A 2 8.336 -9.322 -1.497 1.00 9.07 C ATOM 22 C GLN A 2 8.020 -8.375 -0.358 1.00 8.72 C ATOM 23 O GLN A 2 8.816 -8.235 0.584 1.00 8.22 O ATOM 24 CB GLN A 2 8.507 -10.745 -0.861 1.00 14.46 C ATOM 25 CG GLN A 2 8.874 -11.887 -1.879 1.00 17.01 C ATOM 26 CD GLN A 2 7.706 -12.240 -2.816 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.017 -13.218 -2.545 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.446 -11.562 -3.995 1.00 19.49 N ATOM 0 H GLN A 2 10.335 -9.589 -1.911 1.00 9.27 H new ATOM 0 HA GLN A 2 7.527 -9.255 -2.224 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.284 -10.695 -0.098 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.580 -11.014 -0.354 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.732 -11.576 -2.475 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.175 -12.778 -1.328 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.002 -10.745 -4.247 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.698 -11.879 -4.612 1.00 19.49 H new ATOM 37 N ILE A 3 6.887 -7.688 -0.300 1.00 5.87 N ATOM 38 CA ILE A 3 6.423 -6.919 0.881 1.00 5.07 C ATOM 39 C ILE A 3 4.997 -7.427 1.207 1.00 4.01 C ATOM 40 O ILE A 3 4.435 -8.184 0.410 1.00 4.61 O ATOM 41 CB ILE A 3 6.477 -5.440 0.712 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.553 -4.913 -0.386 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.969 -4.972 0.598 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.256 -3.396 -0.366 1.00 10.83 C ATOM 0 H ILE A 3 6.238 -7.639 -1.085 1.00 5.87 H new ATOM 0 HA ILE A 3 7.104 -7.094 1.714 1.00 5.07 H new ATOM 0 HB ILE A 3 6.065 -4.977 1.609 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.993 -5.162 -1.352 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.605 -5.447 -0.320 1.00 4.72 H new ATOM 0 HG21 ILE A 3 8.002 -3.890 0.475 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.508 -5.251 1.504 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.435 -5.450 -0.263 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.591 -3.145 -1.192 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.779 -3.131 0.578 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.189 -2.841 -0.469 1.00 10.83 H new ATOM 56 N PHE A 4 4.543 -7.061 2.429 1.00 4.55 N ATOM 57 CA PHE A 4 3.325 -7.587 3.063 1.00 4.68 C ATOM 58 C PHE A 4 2.444 -6.461 3.310 1.00 5.30 C ATOM 59 O PHE A 4 2.878 -5.359 3.642 1.00 5.58 O ATOM 60 CB PHE A 4 3.663 -8.355 4.375 1.00 4.83 C ATOM 61 CG PHE A 4 4.662 -9.535 4.140 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.566 -10.386 3.013 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.675 -9.732 5.088 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.545 -11.447 2.902 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.606 -10.766 4.948 1.00 10.61 C ATOM 66 CZ PHE A 4 6.524 -11.618 3.875 1.00 8.90 C ATOM 0 H PHE A 4 5.029 -6.377 3.009 1.00 4.55 H new ATOM 0 HA PHE A 4 2.833 -8.307 2.409 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.090 -7.661 5.098 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.743 -8.744 4.811 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.796 -10.250 2.268 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.738 -9.074 5.942 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.515 -12.114 2.053 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.388 -10.894 5.682 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.229 -12.432 3.785 1.00 8.90 H new ATOM 76 N VAL A 5 1.136 -6.760 3.176 1.00 4.44 N ATOM 77 CA VAL A 5 0.079 -5.803 3.290 1.00 3.87 C ATOM 78 C VAL A 5 -1.048 -6.510 4.028 1.00 4.93 C ATOM 79 O VAL A 5 -1.469 -7.666 3.663 1.00 6.84 O ATOM 80 CB VAL A 5 -0.398 -5.234 1.961 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.640 -4.333 2.167 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.687 -4.436 1.291 1.00 9.13 C ATOM 0 H VAL A 5 0.804 -7.705 2.981 1.00 4.44 H new ATOM 0 HA VAL A 5 0.442 -4.928 3.829 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.663 -6.076 1.322 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.965 -3.936 1.205 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.446 -4.919 2.609 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.385 -3.508 2.832 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.317 -4.042 0.344 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.983 -3.609 1.937 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.549 -5.077 1.105 1.00 9.13 H new ATOM 92 N LYS A 6 -1.566 -5.907 5.112 1.00 6.04 N ATOM 93 CA LYS A 6 -2.667 -6.486 5.870 1.00 6.12 C ATOM 94 C LYS A 6 -3.923 -5.729 5.591 1.00 6.57 C ATOM 95 O LYS A 6 -4.098 -4.541 5.922 1.00 5.76 O ATOM 96 CB LYS A 6 -2.297 -6.453 7.385 1.00 7.45 C ATOM 97 CG LYS A 6 -1.196 -7.446 7.723 1.00 11.12 C ATOM 98 CD LYS A 6 -0.819 -7.488 9.178 1.00 14.54 C ATOM 99 CE LYS A 6 0.142 -8.591 9.515 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.519 -9.902 9.476 1.00 20.55 N ATOM 0 H LYS A 6 -1.232 -5.015 5.477 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.837 -7.521 5.575 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.975 -5.448 7.658 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -3.183 -6.677 7.980 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.515 -8.442 7.414 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.310 -7.200 7.138 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.376 -6.532 9.458 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.722 -7.608 9.776 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.974 -8.579 8.811 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.561 -8.421 10.507 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.156 -10.640 9.762 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.329 -9.902 10.128 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.852 -10.094 8.510 1.00 20.55 H new ATOM 114 N THR A 7 -4.895 -6.463 4.960 1.00 7.41 N ATOM 115 CA THR A 7 -6.123 -5.864 4.464 1.00 7.48 C ATOM 116 C THR A 7 -7.129 -5.568 5.587 1.00 8.75 C ATOM 117 O THR A 7 -6.840 -5.729 6.778 1.00 8.58 O ATOM 118 CB THR A 7 -6.796 -6.757 3.353 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.265 -7.966 3.947 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.781 -7.094 2.274 1.00 9.17 C ATOM 0 H THR A 7 -4.826 -7.467 4.796 1.00 7.41 H new ATOM 0 HA THR A 7 -5.836 -4.911 4.019 1.00 7.48 H new ATOM 0 HB THR A 7 -7.627 -6.211 2.907 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.686 -8.525 3.261 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.254 -7.711 1.510 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.413 -6.174 1.821 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.947 -7.639 2.716 1.00 9.17 H new ATOM 128 N LEU A 8 -8.256 -4.946 5.254 1.00 9.84 N ATOM 129 CA LEU A 8 -9.278 -4.548 6.222 1.00 14.15 C ATOM 130 C LEU A 8 -9.805 -5.792 6.986 1.00 17.37 C ATOM 131 O LEU A 8 -9.830 -5.710 8.221 1.00 17.01 O ATOM 132 CB LEU A 8 -10.409 -3.602 5.736 1.00 16.63 C ATOM 133 CG LEU A 8 -11.315 -2.909 6.834 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.545 -2.200 7.964 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.327 -2.031 6.148 1.00 18.59 C ATOM 0 H LEU A 8 -8.490 -4.700 4.292 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.751 -3.886 6.910 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.953 -2.816 5.134 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -11.061 -4.172 5.075 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.836 -3.699 7.376 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.253 -1.757 8.665 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.920 -2.923 8.488 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.916 -1.417 7.540 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.957 -1.549 6.896 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.811 -1.270 5.563 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.947 -2.638 5.488 1.00 18.59 H new ATOM 147 N THR A 9 -9.995 -6.895 6.231 1.00 18.33 N ATOM 148 CA THR A 9 -10.513 -8.157 6.761 1.00 19.24 C ATOM 149 C THR A 9 -9.375 -9.006 7.179 1.00 19.48 C ATOM 150 O THR A 9 -9.489 -10.180 7.527 1.00 23.14 O ATOM 151 CB THR A 9 -11.492 -8.918 5.767 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.959 -8.833 4.442 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.822 -8.163 5.748 1.00 19.70 C ATOM 0 H THR A 9 -9.790 -6.927 5.232 1.00 18.33 H new ATOM 0 HA THR A 9 -11.134 -7.924 7.626 1.00 19.24 H new ATOM 0 HB THR A 9 -11.612 -9.955 6.082 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.554 -9.301 3.819 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.515 -8.664 5.072 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.244 -8.144 6.753 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.656 -7.142 5.405 1.00 19.70 H new ATOM 161 N GLY A 10 -8.137 -8.488 7.208 1.00 19.43 N ATOM 162 CA GLY A 10 -6.991 -9.085 7.946 1.00 18.74 C ATOM 163 C GLY A 10 -6.051 -10.004 7.125 1.00 17.62 C ATOM 164 O GLY A 10 -5.173 -10.629 7.733 1.00 19.74 O ATOM 0 H GLY A 10 -7.891 -7.630 6.715 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.396 -8.275 8.367 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.385 -9.660 8.784 1.00 18.74 H new ATOM 168 N LYS A 11 -6.308 -10.236 5.837 1.00 13.56 N ATOM 169 CA LYS A 11 -5.471 -11.093 5.004 1.00 11.91 C ATOM 170 C LYS A 11 -4.078 -10.498 4.869 1.00 10.18 C ATOM 171 O LYS A 11 -3.900 -9.324 4.535 1.00 9.10 O ATOM 172 CB LYS A 11 -6.047 -11.194 3.593 1.00 13.43 C ATOM 173 CG LYS A 11 -5.541 -12.311 2.641 1.00 16.69 C ATOM 174 CD LYS A 11 -6.417 -12.428 1.381 1.00 17.92 C ATOM 175 CE LYS A 11 -5.909 -13.571 0.473 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.990 -13.951 -0.456 1.00 21.93 N ATOM 0 H LYS A 11 -7.104 -9.833 5.343 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.434 -12.074 5.479 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.127 -11.310 3.688 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -5.871 -10.239 3.099 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.512 -12.102 2.350 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.535 -13.264 3.170 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.452 -12.615 1.667 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.403 -11.486 0.832 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.028 -13.249 -0.083 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.610 -14.428 1.076 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.656 -14.709 -1.085 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.811 -14.288 0.086 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.266 -13.125 -1.025 1.00 21.93 H new ATOM 190 N THR A 12 -2.989 -11.300 5.037 1.00 9.63 N ATOM 191 CA THR A 12 -1.684 -10.767 4.778 1.00 9.85 C ATOM 192 C THR A 12 -1.326 -11.033 3.337 1.00 11.66 C ATOM 193 O THR A 12 -0.873 -12.128 3.033 1.00 12.33 O ATOM 194 CB THR A 12 -0.619 -11.323 5.682 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.928 -11.111 7.046 1.00 10.91 O ATOM 196 CG2 THR A 12 0.712 -10.580 5.361 1.00 9.63 C ATOM 0 H THR A 12 -3.016 -12.274 5.339 1.00 9.63 H new ATOM 0 HA THR A 12 -1.725 -9.697 4.980 1.00 9.85 H new ATOM 0 HB THR A 12 -0.541 -12.397 5.513 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.305 -11.620 7.606 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.506 -10.962 6.003 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.978 -10.745 4.317 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.585 -9.512 5.539 1.00 9.63 H new ATOM 204 N ILE A 13 -1.580 -10.121 2.393 1.00 10.42 N ATOM 205 CA ILE A 13 -1.288 -10.323 0.982 1.00 11.84 C ATOM 206 C ILE A 13 0.181 -9.961 0.775 1.00 10.55 C ATOM 207 O ILE A 13 0.695 -9.009 1.312 1.00 11.92 O ATOM 208 CB ILE A 13 -2.157 -9.586 -0.023 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.364 -8.072 0.214 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.419 -10.362 -0.032 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.264 -7.470 -0.901 1.00 16.46 C ATOM 0 H ILE A 13 -1.999 -9.213 2.596 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.518 -11.368 0.772 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.661 -9.550 -0.993 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.823 -7.909 1.189 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.400 -7.564 0.227 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.120 -9.908 -0.732 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.213 -11.388 -0.338 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.853 -10.362 0.968 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.401 -6.404 -0.722 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.789 -7.617 -1.871 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.234 -7.967 -0.894 1.00 16.46 H new ATOM 223 N THR A 14 0.847 -10.769 0.051 1.00 9.39 N ATOM 224 CA THR A 14 2.228 -10.742 -0.347 1.00 9.63 C ATOM 225 C THR A 14 2.322 -10.237 -1.728 1.00 11.20 C ATOM 226 O THR A 14 1.571 -10.655 -2.636 1.00 11.63 O ATOM 227 CB THR A 14 2.896 -12.060 -0.330 1.00 10.38 C ATOM 228 OG1 THR A 14 2.856 -12.674 0.924 1.00 16.30 O ATOM 229 CG2 THR A 14 4.347 -11.901 -0.605 1.00 11.66 C ATOM 0 H THR A 14 0.383 -11.589 -0.341 1.00 9.39 H new ATOM 0 HA THR A 14 2.728 -10.104 0.382 1.00 9.63 H new ATOM 0 HB THR A 14 2.368 -12.655 -1.076 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.432 -12.183 1.547 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.829 -12.878 -0.590 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.484 -11.444 -1.585 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.794 -11.264 0.158 1.00 11.66 H new ATOM 237 N LEU A 15 3.237 -9.274 -2.055 1.00 8.29 N ATOM 238 CA LEU A 15 3.216 -8.571 -3.328 1.00 9.03 C ATOM 239 C LEU A 15 4.659 -8.468 -3.902 1.00 8.59 C ATOM 240 O LEU A 15 5.538 -8.098 -3.089 1.00 7.79 O ATOM 241 CB LEU A 15 2.683 -7.131 -3.256 1.00 11.08 C ATOM 242 CG LEU A 15 1.468 -6.838 -2.376 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.135 -5.347 -2.235 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.258 -7.504 -3.018 1.00 15.27 C ATOM 0 H LEU A 15 3.992 -8.983 -1.434 1.00 8.29 H new ATOM 0 HA LEU A 15 2.544 -9.158 -3.953 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.499 -6.494 -2.915 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.438 -6.819 -4.271 1.00 11.08 H new ATOM 0 HG LEU A 15 1.706 -7.215 -1.381 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.261 -5.228 -1.595 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.983 -4.825 -1.791 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.925 -4.927 -3.218 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.627 -7.312 -2.412 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.107 -7.098 -4.018 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.427 -8.579 -3.084 1.00 15.27 H new ATOM 256 N GLU A 16 4.931 -8.775 -5.184 1.00 11.04 N ATOM 257 CA GLU A 16 6.241 -8.618 -5.747 1.00 11.50 C ATOM 258 C GLU A 16 6.372 -7.172 -6.275 1.00 10.13 C ATOM 259 O GLU A 16 5.752 -6.756 -7.236 1.00 9.83 O ATOM 260 CB GLU A 16 6.479 -9.590 -6.900 1.00 17.22 C ATOM 261 CG GLU A 16 7.875 -9.681 -7.558 1.00 23.33 C ATOM 262 CD GLU A 16 8.874 -10.467 -6.711 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.549 -9.815 -5.874 1.00 28.86 O ATOM 264 OE2 GLU A 16 8.884 -11.714 -6.880 1.00 28.90 O ATOM 0 H GLU A 16 4.237 -9.136 -5.838 1.00 11.04 H new ATOM 0 HA GLU A 16 6.980 -8.827 -4.973 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.224 -10.587 -6.541 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.766 -9.342 -7.686 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.782 -10.154 -8.535 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.259 -8.675 -7.726 1.00 23.33 H new ATOM 271 N VAL A 17 7.223 -6.323 -5.682 1.00 8.99 N ATOM 272 CA VAL A 17 7.299 -4.907 -5.991 1.00 8.85 C ATOM 273 C VAL A 17 8.680 -4.527 -6.266 1.00 8.04 C ATOM 274 O VAL A 17 9.638 -5.247 -6.182 1.00 8.99 O ATOM 275 CB VAL A 17 6.766 -4.051 -4.821 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.311 -4.281 -4.482 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.612 -4.301 -3.589 1.00 10.54 C ATOM 0 H VAL A 17 7.885 -6.616 -4.963 1.00 8.99 H new ATOM 0 HA VAL A 17 6.681 -4.726 -6.870 1.00 8.85 H new ATOM 0 HB VAL A 17 6.836 -3.015 -5.154 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.025 -3.638 -3.650 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.694 -4.047 -5.350 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.163 -5.324 -4.202 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.238 -3.698 -2.762 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.561 -5.356 -3.321 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.647 -4.029 -3.797 1.00 10.54 H new ATOM 287 N GLU A 18 8.863 -3.275 -6.721 1.00 7.29 N ATOM 288 CA GLU A 18 10.165 -2.698 -6.934 1.00 7.08 C ATOM 289 C GLU A 18 10.295 -1.544 -5.973 1.00 6.45 C ATOM 290 O GLU A 18 9.269 -0.969 -5.584 1.00 5.28 O ATOM 291 CB GLU A 18 10.250 -2.126 -8.418 1.00 10.28 C ATOM 292 CG GLU A 18 10.457 -3.161 -9.484 1.00 12.65 C ATOM 293 CD GLU A 18 11.877 -3.686 -9.479 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.671 -3.004 -10.165 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.207 -4.838 -9.110 1.00 14.33 O ATOM 0 H GLU A 18 8.093 -2.645 -6.948 1.00 7.29 H new ATOM 0 HA GLU A 18 10.949 -3.440 -6.784 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.331 -1.581 -8.635 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.067 -1.406 -8.468 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.762 -3.987 -9.331 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.230 -2.731 -10.459 1.00 12.65 H new ATOM 302 N PRO A 19 11.497 -1.099 -5.620 1.00 7.24 N ATOM 303 CA PRO A 19 11.686 -0.052 -4.627 1.00 7.07 C ATOM 304 C PRO A 19 11.287 1.308 -5.096 1.00 6.65 C ATOM 305 O PRO A 19 10.916 2.192 -4.251 1.00 6.37 O ATOM 306 CB PRO A 19 13.202 -0.097 -4.374 1.00 7.61 C ATOM 307 CG PRO A 19 13.837 -0.771 -5.603 1.00 8.16 C ATOM 308 CD PRO A 19 12.729 -1.812 -5.953 1.00 7.49 C ATOM 0 HA PRO A 19 11.064 -0.223 -3.748 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.601 0.908 -4.235 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.426 -0.658 -3.466 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.018 -0.067 -6.416 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.792 -1.243 -5.371 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.760 -2.097 -7.005 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.836 -2.728 -5.371 1.00 7.49 H new ATOM 316 N SER A 20 11.319 1.549 -6.416 1.00 6.80 N ATOM 317 CA SER A 20 10.968 2.775 -7.041 1.00 6.28 C ATOM 318 C SER A 20 9.497 2.973 -7.286 1.00 8.45 C ATOM 319 O SER A 20 9.138 4.009 -7.795 1.00 7.26 O ATOM 320 CB SER A 20 11.727 2.884 -8.385 1.00 8.57 C ATOM 321 OG SER A 20 11.593 1.723 -9.189 1.00 11.13 O ATOM 0 H SER A 20 11.610 0.838 -7.087 1.00 6.80 H new ATOM 0 HA SER A 20 11.253 3.559 -6.340 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.356 3.747 -8.937 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.784 3.063 -8.187 1.00 8.57 H new ATOM 0 HG SER A 20 12.089 1.845 -10.025 1.00 11.13 H new ATOM 327 N ASP A 21 8.672 1.937 -6.984 1.00 7.50 N ATOM 328 CA ASP A 21 7.258 1.961 -7.006 1.00 7.70 C ATOM 329 C ASP A 21 6.654 2.959 -6.062 1.00 7.08 C ATOM 330 O ASP A 21 7.168 3.274 -4.989 1.00 8.11 O ATOM 331 CB ASP A 21 6.603 0.565 -6.860 1.00 11.00 C ATOM 332 CG ASP A 21 6.939 -0.383 -7.957 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.234 0.006 -9.107 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.674 -1.597 -7.734 1.00 18.03 O ATOM 0 H ASP A 21 9.038 1.026 -6.707 1.00 7.50 H new ATOM 0 HA ASP A 21 7.021 2.306 -8.012 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.912 0.128 -5.910 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.521 0.686 -6.818 1.00 11.00 H new ATOM 339 N THR A 22 5.468 3.502 -6.483 1.00 5.37 N ATOM 340 CA THR A 22 4.782 4.569 -5.707 1.00 6.01 C ATOM 341 C THR A 22 3.688 3.855 -4.908 1.00 8.01 C ATOM 342 O THR A 22 3.314 2.737 -5.186 1.00 8.11 O ATOM 343 CB THR A 22 4.113 5.667 -6.539 1.00 8.92 C ATOM 344 OG1 THR A 22 3.151 5.171 -7.409 1.00 10.22 O ATOM 345 CG2 THR A 22 5.206 6.401 -7.318 1.00 9.65 C ATOM 0 H THR A 22 4.983 3.222 -7.335 1.00 5.37 H new ATOM 0 HA THR A 22 5.538 5.081 -5.112 1.00 6.01 H new ATOM 0 HB THR A 22 3.590 6.344 -5.864 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.869 5.880 -8.023 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.756 7.190 -7.920 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.919 6.839 -6.619 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.723 5.697 -7.970 1.00 9.65 H new ATOM 353 N ILE A 23 3.096 4.508 -3.884 1.00 8.32 N ATOM 354 CA ILE A 23 1.960 3.977 -3.163 1.00 9.92 C ATOM 355 C ILE A 23 0.849 3.695 -4.132 1.00 10.01 C ATOM 356 O ILE A 23 0.268 2.585 -4.069 1.00 8.71 O ATOM 357 CB ILE A 23 1.564 4.861 -1.969 1.00 10.78 C ATOM 358 CG1 ILE A 23 2.809 5.484 -1.177 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.673 4.020 -1.075 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.763 4.555 -0.584 1.00 12.30 C ATOM 0 H ILE A 23 3.407 5.419 -3.547 1.00 8.32 H new ATOM 0 HA ILE A 23 2.228 3.027 -2.700 1.00 9.92 H new ATOM 0 HB ILE A 23 1.033 5.740 -2.334 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.353 6.133 -1.863 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.418 6.118 -0.381 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.366 4.608 -0.210 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.210 3.706 -1.632 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.222 3.140 -0.739 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.551 5.115 -0.081 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.251 3.920 0.139 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.201 3.935 -1.366 1.00 12.30 H new ATOM 372 N GLU A 24 0.635 4.590 -5.101 1.00 9.54 N ATOM 373 CA GLU A 24 -0.260 4.403 -6.264 1.00 11.81 C ATOM 374 C GLU A 24 0.011 3.061 -7.003 1.00 11.14 C ATOM 375 O GLU A 24 -0.903 2.269 -7.153 1.00 10.62 O ATOM 376 CB GLU A 24 -0.313 5.590 -7.215 1.00 19.24 C ATOM 377 CG GLU A 24 -1.278 5.336 -8.384 1.00 27.76 C ATOM 378 CD GLU A 24 -1.379 6.577 -9.215 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.344 7.070 -9.726 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.480 7.188 -9.405 1.00 36.51 O ATOM 0 H GLU A 24 1.094 5.501 -5.104 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.263 4.344 -5.841 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.627 6.480 -6.670 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.685 5.790 -7.604 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.921 4.505 -8.992 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.261 5.056 -8.006 1.00 27.76 H new ATOM 387 N ASN A 25 1.306 2.732 -7.306 1.00 9.43 N ATOM 388 CA ASN A 25 1.703 1.478 -7.903 1.00 10.96 C ATOM 389 C ASN A 25 1.403 0.265 -7.033 1.00 9.68 C ATOM 390 O ASN A 25 0.937 -0.778 -7.529 1.00 9.33 O ATOM 391 CB ASN A 25 3.212 1.454 -8.267 1.00 16.78 C ATOM 392 CG ASN A 25 3.546 2.462 -9.391 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.679 2.898 -9.309 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.735 2.874 -10.372 1.00 24.70 N ATOM 0 H ASN A 25 2.090 3.360 -7.128 1.00 9.43 H new ATOM 0 HA ASN A 25 1.100 1.410 -8.808 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.804 1.687 -7.382 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.494 0.450 -8.583 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.066 3.556 -11.055 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.786 2.506 -10.437 1.00 24.70 H new ATOM 401 N VAL A 26 1.658 0.293 -5.713 1.00 6.52 N ATOM 402 CA VAL A 26 1.166 -0.717 -4.806 1.00 5.53 C ATOM 403 C VAL A 26 -0.314 -0.845 -4.659 1.00 4.42 C ATOM 404 O VAL A 26 -0.886 -1.938 -4.691 1.00 3.40 O ATOM 405 CB VAL A 26 1.921 -0.588 -3.502 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.459 -1.607 -2.503 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.494 -0.669 -3.671 1.00 8.12 C ATOM 0 H VAL A 26 2.211 1.022 -5.262 1.00 6.52 H new ATOM 0 HA VAL A 26 1.375 -1.683 -5.266 1.00 5.53 H new ATOM 0 HB VAL A 26 1.693 0.411 -3.131 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.020 -1.489 -1.576 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.397 -1.466 -2.304 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.624 -2.608 -2.902 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.970 -0.569 -2.696 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.764 -1.630 -4.110 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.832 0.136 -4.324 1.00 8.12 H new ATOM 417 N LYS A 27 -1.076 0.271 -4.620 1.00 2.64 N ATOM 418 CA LYS A 27 -2.499 0.192 -4.628 1.00 4.14 C ATOM 419 C LYS A 27 -3.119 -0.452 -5.899 1.00 5.58 C ATOM 420 O LYS A 27 -4.087 -1.263 -5.887 1.00 4.11 O ATOM 421 CB LYS A 27 -3.089 1.547 -4.388 1.00 3.97 C ATOM 422 CG LYS A 27 -2.839 2.250 -3.040 1.00 7.45 C ATOM 423 CD LYS A 27 -3.405 3.681 -2.999 1.00 9.02 C ATOM 424 CE LYS A 27 -3.032 4.457 -1.762 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.995 5.492 -1.612 1.00 15.47 N ATOM 0 H LYS A 27 -0.703 1.219 -4.583 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.755 -0.488 -3.816 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.724 2.207 -5.175 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.168 1.462 -4.518 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.290 1.663 -2.240 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.767 2.283 -2.846 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.052 4.225 -3.876 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.492 3.632 -3.070 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.025 3.807 -0.887 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.030 4.874 -1.857 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.833 5.989 -0.713 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.908 6.165 -2.400 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.950 5.080 -1.613 1.00 15.47 H new ATOM 439 N ALA A 28 -2.527 -0.175 -7.128 1.00 6.61 N ATOM 440 CA ALA A 28 -2.905 -0.921 -8.331 1.00 7.74 C ATOM 441 C ALA A 28 -2.658 -2.501 -8.189 1.00 9.17 C ATOM 442 O ALA A 28 -3.522 -3.305 -8.471 1.00 11.45 O ATOM 443 CB ALA A 28 -2.030 -0.444 -9.555 1.00 7.68 C ATOM 0 H ALA A 28 -1.814 0.540 -7.275 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.968 -0.731 -8.479 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.316 -1.003 -10.446 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.193 0.620 -9.726 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.976 -0.620 -9.339 1.00 7.68 H new ATOM 449 N LYS A 29 -1.486 -2.936 -7.651 1.00 8.96 N ATOM 450 CA LYS A 29 -1.156 -4.301 -7.433 1.00 7.90 C ATOM 451 C LYS A 29 -2.150 -4.924 -6.334 1.00 6.92 C ATOM 452 O LYS A 29 -2.666 -6.008 -6.509 1.00 6.87 O ATOM 453 CB LYS A 29 0.282 -4.346 -6.862 1.00 10.28 C ATOM 454 CG LYS A 29 0.861 -5.789 -6.798 1.00 14.94 C ATOM 455 CD LYS A 29 2.383 -5.776 -7.220 1.00 19.69 C ATOM 456 CE LYS A 29 2.648 -5.462 -8.694 1.00 22.63 C ATOM 457 NZ LYS A 29 4.095 -5.193 -8.987 1.00 24.98 N ATOM 0 H LYS A 29 -0.747 -2.296 -7.361 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.237 -4.864 -8.363 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.932 -3.726 -7.479 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.284 -3.914 -5.861 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.758 -6.187 -5.789 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.297 -6.446 -7.459 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.907 -5.041 -6.609 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.816 -6.749 -6.989 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.309 -6.299 -9.304 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.057 -4.594 -8.987 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.304 -5.452 -9.973 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.296 -4.183 -8.844 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.690 -5.758 -8.348 1.00 24.98 H new ATOM 471 N ILE A 30 -2.548 -4.156 -5.347 1.00 4.57 N ATOM 472 CA ILE A 30 -3.586 -4.548 -4.437 1.00 5.58 C ATOM 473 C ILE A 30 -4.965 -4.741 -5.105 1.00 7.26 C ATOM 474 O ILE A 30 -5.757 -5.581 -4.700 1.00 9.46 O ATOM 475 CB ILE A 30 -3.604 -3.621 -3.160 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.289 -3.911 -2.330 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.737 -3.850 -2.201 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.070 -2.781 -1.330 1.00 2.00 C ATOM 0 H ILE A 30 -2.154 -3.235 -5.156 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.339 -5.550 -4.086 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.701 -2.607 -3.549 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.377 -4.864 -1.808 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.432 -3.992 -2.999 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.649 -3.159 -1.363 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.685 -3.682 -2.712 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.700 -4.875 -1.832 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.165 -2.975 -0.754 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.965 -1.837 -1.865 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.924 -2.722 -0.655 1.00 2.00 H new ATOM 490 N GLN A 31 -5.369 -3.947 -6.101 1.00 7.06 N ATOM 491 CA GLN A 31 -6.651 -4.146 -6.817 1.00 8.67 C ATOM 492 C GLN A 31 -6.599 -5.413 -7.690 1.00 10.90 C ATOM 493 O GLN A 31 -7.598 -6.134 -7.793 1.00 9.63 O ATOM 494 CB GLN A 31 -6.943 -2.930 -7.807 1.00 9.12 C ATOM 495 CG GLN A 31 -8.394 -2.991 -8.314 1.00 10.76 C ATOM 496 CD GLN A 31 -8.783 -1.857 -9.224 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.863 -1.240 -9.032 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.843 -1.542 -10.109 1.00 14.76 N ATOM 0 H GLN A 31 -4.827 -3.151 -6.438 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.426 -4.226 -6.054 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.769 -1.984 -7.293 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.254 -2.966 -8.651 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.542 -3.932 -8.843 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.066 -2.999 -7.456 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -7.001 -2.113 -10.183 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.964 -0.730 -10.714 1.00 14.76 H new ATOM 507 N ASP A 32 -5.414 -5.690 -8.363 1.00 10.93 N ATOM 508 CA ASP A 32 -5.188 -6.957 -9.030 1.00 14.01 C ATOM 509 C ASP A 32 -5.344 -8.211 -8.138 1.00 14.04 C ATOM 510 O ASP A 32 -5.853 -9.252 -8.484 1.00 13.39 O ATOM 511 CB ASP A 32 -3.754 -7.121 -9.679 1.00 18.01 C ATOM 512 CG ASP A 32 -3.533 -6.109 -10.783 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.520 -5.868 -11.536 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.416 -5.662 -11.075 1.00 26.29 O ATOM 0 H ASP A 32 -4.636 -5.035 -8.434 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.972 -6.908 -9.786 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.989 -6.999 -8.912 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.646 -8.129 -10.079 1.00 18.01 H new ATOM 519 N LYS A 33 -4.901 -8.185 -6.825 1.00 14.22 N ATOM 520 CA LYS A 33 -5.015 -9.251 -5.858 1.00 14.00 C ATOM 521 C LYS A 33 -6.348 -9.386 -5.250 1.00 12.37 C ATOM 522 O LYS A 33 -6.801 -10.574 -5.290 1.00 12.17 O ATOM 523 CB LYS A 33 -4.031 -8.884 -4.740 1.00 18.62 C ATOM 524 CG LYS A 33 -2.511 -9.078 -5.024 1.00 24.00 C ATOM 525 CD LYS A 33 -2.050 -10.501 -5.027 1.00 27.61 C ATOM 526 CE LYS A 33 -0.525 -10.765 -4.949 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.205 -12.052 -4.411 1.00 30.06 N ATOM 0 H LYS A 33 -4.439 -7.363 -6.436 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.817 -10.197 -6.362 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.193 -7.838 -4.480 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.286 -9.475 -3.860 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.277 -8.633 -5.991 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.943 -8.528 -4.274 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.521 -11.008 -4.185 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.426 -10.973 -5.935 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.096 -10.678 -5.947 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.060 -9.995 -4.334 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.489 -11.945 -3.644 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.068 -12.496 -4.037 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.196 -12.651 -5.160 1.00 30.06 H new ATOM 541 N GLU A 34 -6.920 -8.311 -4.650 1.00 10.11 N ATOM 542 CA GLU A 34 -8.089 -8.346 -3.773 1.00 10.07 C ATOM 543 C GLU A 34 -9.278 -7.511 -4.222 1.00 9.32 C ATOM 544 O GLU A 34 -10.201 -7.291 -3.448 1.00 11.61 O ATOM 545 CB GLU A 34 -7.790 -7.891 -2.335 1.00 14.77 C ATOM 546 CG GLU A 34 -6.862 -8.780 -1.473 1.00 18.75 C ATOM 547 CD GLU A 34 -7.519 -10.064 -1.078 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.501 -10.033 -0.259 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.071 -11.170 -1.497 1.00 25.19 O ATOM 0 H GLU A 34 -6.556 -7.367 -4.777 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.347 -9.404 -3.822 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.349 -6.896 -2.384 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.741 -7.793 -1.811 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.950 -8.996 -2.029 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.567 -8.234 -0.577 1.00 18.75 H new ATOM 556 N GLY A 35 -9.259 -6.901 -5.428 1.00 7.22 N ATOM 557 CA GLY A 35 -10.347 -6.231 -6.142 1.00 6.29 C ATOM 558 C GLY A 35 -10.652 -4.795 -5.742 1.00 6.93 C ATOM 559 O GLY A 35 -11.429 -4.081 -6.345 1.00 7.41 O ATOM 0 H GLY A 35 -8.395 -6.867 -5.970 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.113 -6.244 -7.206 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.254 -6.820 -6.008 1.00 6.29 H new ATOM 563 N ILE A 36 -9.963 -4.310 -4.699 1.00 5.86 N ATOM 564 CA ILE A 36 -10.196 -2.982 -4.105 1.00 6.07 C ATOM 565 C ILE A 36 -9.729 -1.740 -4.961 1.00 6.36 C ATOM 566 O ILE A 36 -8.521 -1.666 -5.246 1.00 6.18 O ATOM 567 CB ILE A 36 -9.594 -2.820 -2.782 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.554 -4.156 -1.983 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.251 -1.677 -1.992 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.926 -4.059 -0.592 1.00 9.49 C ATOM 0 H ILE A 36 -9.219 -4.834 -4.238 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.285 -2.977 -4.054 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.554 -2.532 -2.939 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.572 -4.531 -1.880 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.000 -4.893 -2.564 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.775 -1.590 -1.015 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.132 -0.742 -2.539 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.312 -1.888 -1.861 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.944 -5.039 -0.115 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.895 -3.718 -0.681 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.491 -3.350 0.014 1.00 9.49 H new ATOM 582 N PRO A 37 -10.632 -0.809 -5.348 1.00 8.65 N ATOM 583 CA PRO A 37 -10.350 0.516 -6.066 1.00 9.18 C ATOM 584 C PRO A 37 -9.164 1.269 -5.629 1.00 9.85 C ATOM 585 O PRO A 37 -9.198 1.692 -4.474 1.00 8.51 O ATOM 586 CB PRO A 37 -11.668 1.228 -5.980 1.00 11.42 C ATOM 587 CG PRO A 37 -12.680 0.115 -6.129 1.00 9.27 C ATOM 588 CD PRO A 37 -12.087 -0.983 -5.284 1.00 8.33 C ATOM 0 HA PRO A 37 -10.029 0.363 -7.096 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.781 1.749 -5.029 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.773 1.974 -6.767 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.666 0.413 -5.773 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.796 -0.191 -7.169 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.442 -0.917 -4.255 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.379 -1.964 -5.660 1.00 8.33 H new ATOM 596 N PRO A 38 -8.006 1.570 -6.311 1.00 8.71 N ATOM 597 CA PRO A 38 -6.834 2.246 -5.784 1.00 9.08 C ATOM 598 C PRO A 38 -7.041 3.658 -5.365 1.00 9.28 C ATOM 599 O PRO A 38 -6.062 4.285 -5.014 1.00 6.50 O ATOM 600 CB PRO A 38 -5.826 2.172 -6.906 1.00 10.31 C ATOM 601 CG PRO A 38 -6.218 0.945 -7.727 1.00 10.81 C ATOM 602 CD PRO A 38 -7.721 0.971 -7.584 1.00 12.00 C ATOM 0 HA PRO A 38 -6.522 1.759 -4.860 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.850 3.076 -7.515 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.812 2.076 -6.517 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.901 1.026 -8.767 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.782 0.028 -7.332 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.176 1.544 -8.392 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.132 -0.037 -7.638 1.00 12.00 H new ATOM 610 N ASP A 39 -8.260 4.248 -5.560 1.00 11.20 N ATOM 611 CA ASP A 39 -8.672 5.546 -5.155 1.00 14.96 C ATOM 612 C ASP A 39 -9.252 5.437 -3.778 1.00 13.99 C ATOM 613 O ASP A 39 -9.048 6.273 -2.894 1.00 13.75 O ATOM 614 CB ASP A 39 -9.610 6.122 -6.237 1.00 24.16 C ATOM 615 CG ASP A 39 -9.908 7.615 -6.151 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.985 8.418 -6.421 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.003 7.985 -5.791 1.00 35.55 O ATOM 0 H ASP A 39 -9.008 3.753 -6.047 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.852 6.260 -5.077 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.172 5.917 -7.214 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.556 5.582 -6.192 1.00 24.16 H new ATOM 622 N GLN A 40 -10.016 4.326 -3.490 1.00 11.60 N ATOM 623 CA GLN A 40 -10.551 4.087 -2.145 1.00 10.76 C ATOM 624 C GLN A 40 -9.492 3.532 -1.192 1.00 8.01 C ATOM 625 O GLN A 40 -9.595 3.720 0.029 1.00 8.96 O ATOM 626 CB GLN A 40 -11.615 2.937 -2.244 1.00 11.14 C ATOM 627 CG GLN A 40 -12.353 2.541 -0.973 1.00 14.85 C ATOM 628 CD GLN A 40 -13.378 1.464 -1.176 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.296 0.420 -0.540 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.396 1.841 -1.980 1.00 18.16 N ATOM 0 H GLN A 40 -10.258 3.609 -4.173 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.938 5.039 -1.781 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.358 3.231 -2.985 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.114 2.050 -2.631 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.627 2.203 -0.233 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.843 3.422 -0.560 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.358 2.738 -2.464 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.202 1.228 -2.103 1.00 18.16 H new ATOM 639 N GLN A 41 -8.444 2.884 -1.737 1.00 6.52 N ATOM 640 CA GLN A 41 -7.386 2.252 -0.930 1.00 3.87 C ATOM 641 C GLN A 41 -6.630 3.353 -0.214 1.00 4.79 C ATOM 642 O GLN A 41 -6.341 4.297 -0.860 1.00 6.34 O ATOM 643 CB GLN A 41 -6.281 1.583 -1.805 1.00 4.20 C ATOM 644 CG GLN A 41 -7.018 0.261 -2.268 1.00 3.20 C ATOM 645 CD GLN A 41 -5.976 -0.595 -2.905 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.860 -0.703 -2.420 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.214 -1.056 -4.162 1.00 7.13 N ATOM 0 H GLN A 41 -8.309 2.785 -2.743 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.878 1.520 -0.289 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.988 2.209 -2.648 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.376 1.372 -1.235 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.474 -0.248 -1.419 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.819 0.488 -2.972 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.145 -0.967 -4.570 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.462 -1.490 -4.697 1.00 7.13 H new ATOM 656 N ARG A 42 -6.205 3.139 1.010 1.00 5.73 N ATOM 657 CA ARG A 42 -5.161 3.953 1.699 1.00 6.97 C ATOM 658 C ARG A 42 -4.252 3.096 2.574 1.00 7.15 C ATOM 659 O ARG A 42 -4.608 2.045 3.060 1.00 7.33 O ATOM 660 CB ARG A 42 -5.834 5.013 2.523 1.00 13.23 C ATOM 661 CG ARG A 42 -6.417 6.138 1.694 1.00 21.27 C ATOM 662 CD ARG A 42 -6.677 7.421 2.482 1.00 26.14 C ATOM 663 NE ARG A 42 -7.141 8.514 1.562 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.487 9.748 1.919 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.458 10.105 3.221 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.674 10.637 0.982 1.00 36.39 N ATOM 0 H ARG A 42 -6.568 2.383 1.590 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.528 4.414 0.941 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.629 4.555 3.111 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.113 5.427 3.228 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.736 6.360 0.872 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.353 5.801 1.250 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.430 7.238 3.249 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.767 7.731 2.996 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.196 8.289 0.569 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.171 9.429 3.929 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.723 11.051 3.497 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.554 10.379 0.003 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.940 11.590 1.229 1.00 36.39 H new ATOM 680 N LEU A 43 -2.956 3.467 2.660 1.00 4.65 N ATOM 681 CA LEU A 43 -1.873 2.657 3.179 1.00 3.51 C ATOM 682 C LEU A 43 -1.151 3.399 4.221 1.00 5.56 C ATOM 683 O LEU A 43 -0.897 4.600 4.123 1.00 4.19 O ATOM 684 CB LEU A 43 -0.883 2.139 2.065 1.00 3.74 C ATOM 685 CG LEU A 43 -1.512 0.954 1.229 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.766 0.688 -0.096 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.532 -0.392 2.044 1.00 6.41 C ATOM 0 H LEU A 43 -2.639 4.386 2.350 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.324 1.763 3.610 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.626 2.960 1.396 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.045 1.804 2.529 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.529 1.279 1.008 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.245 -0.136 -0.624 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.797 1.583 -0.717 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.271 0.429 0.116 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.972 -1.181 1.433 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.513 -0.669 2.315 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.125 -0.261 2.949 1.00 6.41 H new ATOM 699 N ILE A 44 -0.769 2.699 5.313 1.00 4.58 N ATOM 700 CA ILE A 44 0.015 3.296 6.430 1.00 5.55 C ATOM 701 C ILE A 44 1.275 2.474 6.673 1.00 5.46 C ATOM 702 O ILE A 44 1.267 1.263 6.681 1.00 6.04 O ATOM 703 CB ILE A 44 -0.804 3.358 7.726 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.182 3.979 7.499 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.086 3.995 8.889 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.213 3.866 8.646 1.00 13.90 C ATOM 0 H ILE A 44 -0.991 1.713 5.449 1.00 4.58 H new ATOM 0 HA ILE A 44 0.279 4.314 6.142 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.947 2.318 8.019 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.042 5.037 7.276 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.616 3.520 6.610 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.738 3.997 9.762 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.818 3.429 9.112 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.182 5.020 8.634 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.144 4.349 8.348 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.403 2.815 8.862 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.820 4.355 9.538 1.00 13.90 H new ATOM 718 N PHE A 45 2.463 3.123 6.832 1.00 6.75 N ATOM 719 CA PHE A 45 3.665 2.564 7.360 1.00 4.70 C ATOM 720 C PHE A 45 4.326 3.428 8.334 1.00 6.34 C ATOM 721 O PHE A 45 4.564 4.583 8.158 1.00 5.45 O ATOM 722 CB PHE A 45 4.578 2.150 6.184 1.00 5.51 C ATOM 723 CG PHE A 45 5.946 1.612 6.549 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.047 0.299 6.908 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.086 2.493 6.722 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.249 -0.179 7.520 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.273 1.925 7.250 1.00 6.64 C ATOM 728 CZ PHE A 45 8.335 0.582 7.647 1.00 6.84 C ATOM 0 H PHE A 45 2.576 4.102 6.570 1.00 6.75 H new ATOM 0 HA PHE A 45 3.415 1.674 7.937 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.058 1.392 5.599 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.713 3.016 5.536 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.223 -0.376 6.731 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.032 3.539 6.459 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.277 -1.193 7.892 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.153 2.544 7.349 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.249 0.171 8.050 1.00 6.84 H new ATOM 738 N ALA A 46 4.721 2.809 9.502 1.00 6.53 N ATOM 739 CA ALA A 46 5.290 3.291 10.715 1.00 7.15 C ATOM 740 C ALA A 46 4.501 4.486 11.247 1.00 9.00 C ATOM 741 O ALA A 46 4.940 5.513 11.715 1.00 11.15 O ATOM 742 CB ALA A 46 6.772 3.595 10.541 1.00 8.99 C ATOM 0 H ALA A 46 4.606 1.798 9.570 1.00 6.53 H new ATOM 0 HA ALA A 46 5.220 2.506 11.468 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.181 3.961 11.482 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.298 2.687 10.246 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.899 4.355 9.770 1.00 8.99 H new ATOM 748 N GLY A 47 3.189 4.281 11.191 1.00 9.35 N ATOM 749 CA GLY A 47 2.202 5.275 11.697 1.00 11.68 C ATOM 750 C GLY A 47 1.912 6.415 10.776 1.00 11.14 C ATOM 751 O GLY A 47 0.932 7.150 10.916 1.00 13.93 O ATOM 0 H GLY A 47 2.767 3.438 10.802 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.267 4.757 11.912 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.568 5.677 12.642 1.00 11.68 H new ATOM 755 N LYS A 48 2.791 6.491 9.740 1.00 10.47 N ATOM 756 CA LYS A 48 2.667 7.422 8.632 1.00 8.82 C ATOM 757 C LYS A 48 1.559 7.095 7.667 1.00 7.68 C ATOM 758 O LYS A 48 1.418 5.958 7.251 1.00 6.47 O ATOM 759 CB LYS A 48 3.950 7.434 7.754 1.00 9.74 C ATOM 760 CG LYS A 48 5.239 7.597 8.651 1.00 14.14 C ATOM 761 CD LYS A 48 6.457 7.659 7.738 1.00 16.32 C ATOM 762 CE LYS A 48 7.754 8.153 8.489 1.00 20.04 C ATOM 763 NZ LYS A 48 8.802 8.407 7.558 1.00 23.92 N ATOM 0 H LYS A 48 3.611 5.889 9.669 1.00 10.47 H new ATOM 0 HA LYS A 48 2.472 8.373 9.127 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.014 6.508 7.182 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.896 8.251 7.034 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.170 8.503 9.253 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.327 6.760 9.344 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.640 6.671 7.316 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.247 8.329 6.904 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.532 9.059 9.053 1.00 20.04 H new ATOM 0 HE3 LYS A 48 8.074 7.400 9.209 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.648 8.731 8.068 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 9.024 7.534 7.039 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.500 9.142 6.887 1.00 23.92 H new ATOM 777 N GLN A 49 0.757 8.060 7.192 1.00 8.89 N ATOM 778 CA GLN A 49 -0.180 7.932 6.150 1.00 7.18 C ATOM 779 C GLN A 49 0.582 8.180 4.850 1.00 8.23 C ATOM 780 O GLN A 49 1.151 9.274 4.647 1.00 9.70 O ATOM 781 CB GLN A 49 -1.376 8.850 6.286 1.00 11.67 C ATOM 782 CG GLN A 49 -2.249 8.628 7.501 1.00 15.82 C ATOM 783 CD GLN A 49 -3.221 9.809 7.749 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.349 10.695 6.905 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.900 9.826 8.922 1.00 20.67 N ATOM 0 H GLN A 49 0.775 9.004 7.577 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.615 6.933 6.174 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.018 9.879 6.304 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.994 8.743 5.395 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.822 7.710 7.371 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.618 8.489 8.379 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.769 9.074 9.598 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.542 10.591 9.128 1.00 20.67 H new ATOM 794 N LEU A 50 0.618 7.188 3.986 1.00 6.51 N ATOM 795 CA LEU A 50 1.470 7.253 2.814 1.00 7.41 C ATOM 796 C LEU A 50 0.670 7.926 1.669 1.00 8.27 C ATOM 797 O LEU A 50 -0.368 7.475 1.194 1.00 8.34 O ATOM 798 CB LEU A 50 1.990 5.863 2.378 1.00 7.13 C ATOM 799 CG LEU A 50 2.443 4.876 3.472 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.810 3.483 2.832 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.480 5.553 4.415 1.00 9.11 C ATOM 0 H LEU A 50 0.071 6.331 4.070 1.00 6.51 H new ATOM 0 HA LEU A 50 2.355 7.840 3.059 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.202 5.380 1.800 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.831 6.020 1.703 1.00 7.13 H new ATOM 0 HG LEU A 50 1.633 4.620 4.155 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.128 2.795 3.615 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.937 3.075 2.324 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.619 3.614 2.114 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.791 4.844 5.183 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.349 5.865 3.836 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.027 6.424 4.888 1.00 9.11 H new ATOM 813 N GLU A 51 1.324 8.948 1.025 1.00 9.43 N ATOM 814 CA GLU A 51 0.572 9.649 -0.040 1.00 11.90 C ATOM 815 C GLU A 51 0.997 9.073 -1.371 1.00 11.49 C ATOM 816 O GLU A 51 2.186 8.698 -1.490 1.00 9.88 O ATOM 817 CB GLU A 51 0.833 11.201 0.039 1.00 16.56 C ATOM 818 CG GLU A 51 0.577 11.897 1.383 1.00 26.06 C ATOM 819 CD GLU A 51 0.428 13.455 1.261 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.479 13.797 0.465 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.094 14.308 1.885 1.00 32.13 O ATOM 0 H GLU A 51 2.274 9.271 1.207 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.501 9.503 0.085 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.871 11.382 -0.241 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.211 11.685 -0.714 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.329 11.487 1.829 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.398 11.670 2.063 1.00 26.06 H new ATOM 828 N ASP A 52 0.061 8.963 -2.323 1.00 12.71 N ATOM 829 CA ASP A 52 0.038 8.163 -3.598 1.00 16.56 C ATOM 830 C ASP A 52 1.283 8.386 -4.467 1.00 15.83 C ATOM 831 O ASP A 52 1.793 7.418 -5.025 1.00 17.21 O ATOM 832 CB ASP A 52 -1.265 8.573 -4.336 1.00 21.05 C ATOM 833 CG ASP A 52 -2.442 8.305 -3.461 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.735 9.176 -2.597 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.104 7.246 -3.578 1.00 28.37 O ATOM 0 H ASP A 52 -0.809 9.486 -2.226 1.00 12.71 H new ATOM 0 HA ASP A 52 0.052 7.096 -3.377 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.228 9.630 -4.599 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.358 8.015 -5.268 1.00 21.05 H new ATOM 840 N GLY A 53 1.771 9.633 -4.595 1.00 15.00 N ATOM 841 CA GLY A 53 2.919 9.901 -5.508 1.00 11.77 C ATOM 842 C GLY A 53 4.262 9.547 -4.927 1.00 11.10 C ATOM 843 O GLY A 53 5.254 9.514 -5.621 1.00 11.25 O ATOM 0 H GLY A 53 1.411 10.450 -4.102 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.775 9.339 -6.431 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.918 10.958 -5.775 1.00 11.77 H new ATOM 847 N ARG A 54 4.301 9.235 -3.611 1.00 8.53 N ATOM 848 CA ARG A 54 5.547 8.898 -2.904 1.00 9.05 C ATOM 849 C ARG A 54 5.922 7.377 -3.049 1.00 8.96 C ATOM 850 O ARG A 54 5.110 6.515 -3.374 1.00 11.60 O ATOM 851 CB ARG A 54 5.440 9.256 -1.459 1.00 7.97 C ATOM 852 CG ARG A 54 5.509 10.718 -1.179 1.00 9.62 C ATOM 853 CD ARG A 54 6.896 11.305 -1.312 1.00 12.20 C ATOM 854 NE ARG A 54 6.728 12.776 -1.032 1.00 18.23 N ATOM 855 CZ ARG A 54 7.677 13.502 -0.421 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.885 13.017 -0.014 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.478 14.766 -0.190 1.00 23.38 N ATOM 0 H ARG A 54 3.472 9.211 -3.017 1.00 8.53 H new ATOM 0 HA ARG A 54 6.343 9.481 -3.367 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.498 8.868 -1.070 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.240 8.756 -0.913 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.838 11.240 -1.861 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.143 10.902 -0.169 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.588 10.846 -0.606 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.301 11.137 -2.310 1.00 12.20 H new ATOM 0 HE ARG A 54 5.863 13.236 -1.317 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.119 12.036 -0.168 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.554 13.635 0.445 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.602 15.204 -0.473 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.198 15.319 0.274 1.00 23.38 H new ATOM 871 N THR A 55 7.212 7.054 -3.011 1.00 9.05 N ATOM 872 CA THR A 55 7.807 5.757 -3.332 1.00 9.03 C ATOM 873 C THR A 55 8.134 4.989 -2.030 1.00 8.15 C ATOM 874 O THR A 55 8.379 5.583 -0.971 1.00 5.91 O ATOM 875 CB THR A 55 9.125 5.842 -4.145 1.00 11.15 C ATOM 876 OG1 THR A 55 10.035 6.735 -3.584 1.00 11.95 O ATOM 877 CG2 THR A 55 8.901 6.267 -5.624 1.00 11.71 C ATOM 0 H THR A 55 7.918 7.737 -2.737 1.00 9.05 H new ATOM 0 HA THR A 55 7.061 5.250 -3.944 1.00 9.03 H new ATOM 0 HB THR A 55 9.526 4.829 -4.117 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.850 6.755 -4.127 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.860 6.308 -6.140 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.255 5.541 -6.117 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.431 7.250 -5.653 1.00 11.71 H new ATOM 885 N LEU A 56 8.130 3.618 -2.099 1.00 6.91 N ATOM 886 CA LEU A 56 8.691 2.715 -1.054 1.00 8.29 C ATOM 887 C LEU A 56 10.090 3.098 -0.574 1.00 8.05 C ATOM 888 O LEU A 56 10.317 3.325 0.592 1.00 10.17 O ATOM 889 CB LEU A 56 8.734 1.319 -1.774 1.00 6.60 C ATOM 890 CG LEU A 56 7.345 0.722 -2.123 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.539 -0.687 -2.694 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.239 0.830 -1.027 1.00 8.64 C ATOM 0 H LEU A 56 7.733 3.112 -2.890 1.00 6.91 H new ATOM 0 HA LEU A 56 8.084 2.749 -0.149 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.312 1.418 -2.693 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.267 0.614 -1.136 1.00 6.60 H new ATOM 0 HG LEU A 56 6.912 1.365 -2.889 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.568 -1.116 -2.943 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.153 -0.634 -3.593 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.034 -1.315 -1.953 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.318 0.377 -1.394 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.566 0.309 -0.127 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.059 1.879 -0.794 1.00 8.64 H new ATOM 904 N SER A 57 11.046 3.374 -1.539 1.00 8.92 N ATOM 905 CA SER A 57 12.397 3.831 -1.280 1.00 9.00 C ATOM 906 C SER A 57 12.570 5.172 -0.631 1.00 9.44 C ATOM 907 O SER A 57 13.461 5.387 0.169 1.00 10.91 O ATOM 908 CB SER A 57 13.317 3.840 -2.539 1.00 10.32 C ATOM 909 OG SER A 57 12.919 4.787 -3.613 1.00 13.59 O ATOM 0 H SER A 57 10.853 3.269 -2.535 1.00 8.92 H new ATOM 0 HA SER A 57 12.692 3.069 -0.559 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.333 4.080 -2.224 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.342 2.833 -2.957 1.00 10.32 H new ATOM 0 HG SER A 57 13.553 4.723 -4.357 1.00 13.59 H new ATOM 915 N ASP A 58 11.688 6.137 -0.946 1.00 9.11 N ATOM 916 CA ASP A 58 11.586 7.442 -0.206 1.00 7.91 C ATOM 917 C ASP A 58 11.125 7.246 1.241 1.00 9.12 C ATOM 918 O ASP A 58 11.712 7.761 2.256 1.00 8.61 O ATOM 919 CB ASP A 58 10.722 8.448 -1.003 1.00 8.41 C ATOM 920 CG ASP A 58 10.640 9.873 -0.493 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.652 10.619 -0.684 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.674 10.303 0.122 1.00 10.05 O ATOM 0 H ASP A 58 11.022 6.051 -1.714 1.00 9.11 H new ATOM 0 HA ASP A 58 12.582 7.877 -0.128 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.102 8.480 -2.024 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.708 8.052 -1.053 1.00 8.41 H new ATOM 927 N TYR A 59 10.152 6.325 1.458 1.00 7.97 N ATOM 928 CA TYR A 59 9.641 6.011 2.803 1.00 8.45 C ATOM 929 C TYR A 59 10.545 5.016 3.520 1.00 10.98 C ATOM 930 O TYR A 59 10.388 4.795 4.724 1.00 12.95 O ATOM 931 CB TYR A 59 8.245 5.414 2.797 1.00 7.94 C ATOM 932 CG TYR A 59 7.223 6.456 2.595 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.032 7.493 3.532 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.360 6.431 1.461 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.134 8.455 3.322 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.324 7.395 1.308 1.00 6.52 C ATOM 937 CZ TYR A 59 5.240 8.394 2.233 1.00 6.76 C ATOM 938 OH TYR A 59 4.245 9.384 2.062 1.00 7.63 O ATOM 0 H TYR A 59 9.709 5.789 0.712 1.00 7.97 H new ATOM 0 HA TYR A 59 9.617 6.971 3.318 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.169 4.668 2.006 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.062 4.899 3.740 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.624 7.508 4.435 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.494 5.670 0.707 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.090 9.296 3.998 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.626 7.337 0.486 1.00 6.52 H new ATOM 0 HH TYR A 59 4.670 10.262 1.964 1.00 7.63 H new ATOM 948 N ASN A 60 11.497 4.419 2.837 1.00 12.38 N ATOM 949 CA ASN A 60 12.369 3.353 3.352 1.00 13.94 C ATOM 950 C ASN A 60 11.658 1.999 3.700 1.00 14.16 C ATOM 951 O ASN A 60 11.831 1.361 4.754 1.00 14.26 O ATOM 952 CB ASN A 60 13.249 3.706 4.552 1.00 19.23 C ATOM 953 CG ASN A 60 14.478 2.842 4.821 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.873 2.091 3.920 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.106 2.911 6.013 1.00 24.09 N ATOM 0 H ASN A 60 11.704 4.663 1.868 1.00 12.38 H new ATOM 0 HA ASN A 60 13.000 3.229 2.472 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.586 4.735 4.427 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.623 3.681 5.444 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.929 2.335 6.190 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.758 3.539 6.737 1.00 24.09 H new ATOM 962 N ILE A 61 10.721 1.606 2.805 1.00 11.08 N ATOM 963 CA ILE A 61 10.008 0.299 2.852 1.00 11.78 C ATOM 964 C ILE A 61 10.751 -0.722 2.128 1.00 13.74 C ATOM 965 O ILE A 61 10.875 -0.686 0.921 1.00 14.60 O ATOM 966 CB ILE A 61 8.545 0.533 2.340 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.893 1.495 3.361 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.647 -0.736 2.170 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.794 2.217 2.579 1.00 11.42 C ATOM 0 H ILE A 61 10.433 2.191 2.020 1.00 11.08 H new ATOM 0 HA ILE A 61 9.942 -0.088 3.869 1.00 11.78 H new ATOM 0 HB ILE A 61 8.617 0.925 1.325 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.480 0.949 4.209 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.622 2.200 3.760 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.662 -0.439 1.811 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.107 -1.413 1.450 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.546 -1.242 3.130 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.282 2.920 3.236 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.238 2.758 1.743 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.078 1.488 2.200 1.00 11.42 H new ATOM 981 N GLN A 62 11.291 -1.751 2.818 1.00 13.97 N ATOM 982 CA GLN A 62 12.264 -2.757 2.346 1.00 15.52 C ATOM 983 C GLN A 62 11.554 -4.130 2.297 1.00 13.94 C ATOM 984 O GLN A 62 10.419 -4.323 2.751 1.00 12.15 O ATOM 985 CB GLN A 62 13.506 -2.779 3.284 1.00 19.53 C ATOM 986 CG GLN A 62 14.296 -1.460 3.285 1.00 26.38 C ATOM 987 CD GLN A 62 15.496 -1.687 4.243 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.280 -2.004 5.440 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.721 -1.417 3.830 1.00 32.71 N ATOM 0 H GLN A 62 11.038 -1.911 3.793 1.00 13.97 H new ATOM 0 HA GLN A 62 12.623 -2.509 1.347 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.180 -2.999 4.301 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.168 -3.590 2.979 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.639 -1.209 2.281 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.674 -0.632 3.626 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.886 -1.161 2.857 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.502 -1.465 4.484 1.00 32.71 H new ATOM 998 N LYS A 63 12.257 -5.152 1.762 1.00 11.73 N ATOM 999 CA LYS A 63 11.660 -6.388 1.539 1.00 11.97 C ATOM 1000 C LYS A 63 11.332 -7.084 2.852 1.00 10.41 C ATOM 1001 O LYS A 63 12.102 -7.029 3.786 1.00 9.59 O ATOM 1002 CB LYS A 63 12.457 -7.310 0.590 1.00 13.73 C ATOM 1003 CG LYS A 63 13.725 -7.944 1.094 1.00 16.98 C ATOM 1004 CD LYS A 63 14.507 -8.404 -0.172 1.00 20.19 C ATOM 1005 CE LYS A 63 15.769 -9.197 0.068 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.490 -10.560 0.616 1.00 25.97 N ATOM 0 H LYS A 63 13.239 -5.096 1.492 1.00 11.73 H new ATOM 0 HA LYS A 63 10.727 -6.177 1.016 1.00 11.97 H new ATOM 0 HB2 LYS A 63 11.791 -8.112 0.272 1.00 13.73 H new ATOM 0 HB3 LYS A 63 12.708 -6.732 -0.299 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.311 -7.234 1.678 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.506 -8.790 1.746 1.00 16.98 H new ATOM 0 HD2 LYS A 63 13.838 -9.006 -0.787 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.765 -7.519 -0.754 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.320 -9.290 -0.868 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.410 -8.653 0.762 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.387 -11.065 0.764 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.988 -10.474 1.523 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.901 -11.091 -0.057 1.00 25.97 H new ATOM 1020 N GLU A 64 10.210 -7.816 2.931 1.00 10.04 N ATOM 1021 CA GLU A 64 9.754 -8.434 4.167 1.00 10.94 C ATOM 1022 C GLU A 64 9.387 -7.467 5.269 1.00 9.74 C ATOM 1023 O GLU A 64 9.681 -7.650 6.449 1.00 9.42 O ATOM 1024 CB GLU A 64 10.606 -9.581 4.656 1.00 18.31 C ATOM 1025 CG GLU A 64 10.900 -10.645 3.573 1.00 24.16 C ATOM 1026 CD GLU A 64 11.523 -11.969 4.038 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.115 -12.619 5.020 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.411 -12.449 3.256 1.00 31.72 O ATOM 0 H GLU A 64 9.599 -7.991 2.133 1.00 10.04 H new ATOM 0 HA GLU A 64 8.810 -8.888 3.864 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.551 -9.186 5.030 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.105 -10.061 5.497 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.965 -10.873 3.062 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.566 -10.200 2.834 1.00 24.16 H new ATOM 1035 N SER A 65 8.593 -6.464 4.853 1.00 6.85 N ATOM 1036 CA SER A 65 8.254 -5.380 5.744 1.00 6.90 C ATOM 1037 C SER A 65 6.772 -5.213 5.446 1.00 4.72 C ATOM 1038 O SER A 65 6.303 -5.618 4.363 1.00 3.91 O ATOM 1039 CB SER A 65 8.878 -4.027 5.405 1.00 7.28 C ATOM 1040 OG SER A 65 8.583 -3.035 6.381 1.00 10.56 O ATOM 0 H SER A 65 8.188 -6.396 3.919 1.00 6.85 H new ATOM 0 HA SER A 65 8.578 -5.619 6.757 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.959 -4.139 5.320 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.514 -3.696 4.432 1.00 7.28 H new ATOM 0 HG SER A 65 9.003 -2.188 6.124 1.00 10.56 H new ATOM 1046 N THR A 66 6.026 -4.661 6.400 1.00 4.48 N ATOM 1047 CA THR A 66 4.554 -4.766 6.318 1.00 3.80 C ATOM 1048 C THR A 66 3.844 -3.414 6.238 1.00 4.60 C ATOM 1049 O THR A 66 3.923 -2.633 7.162 1.00 5.33 O ATOM 1050 CB THR A 66 4.061 -5.461 7.540 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.643 -6.782 7.645 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.515 -5.776 7.431 1.00 3.40 C ATOM 0 H THR A 66 6.387 -4.156 7.209 1.00 4.48 H new ATOM 0 HA THR A 66 4.330 -5.310 5.401 1.00 3.80 H new ATOM 0 HB THR A 66 4.310 -4.803 8.373 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.309 -7.223 8.454 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.182 -6.283 8.337 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.961 -4.845 7.313 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.334 -6.418 6.569 1.00 3.40 H new ATOM 1060 N LEU A 67 3.061 -3.109 5.161 1.00 4.17 N ATOM 1061 CA LEU A 67 2.135 -1.965 5.166 1.00 3.85 C ATOM 1062 C LEU A 67 0.814 -2.312 5.797 1.00 3.80 C ATOM 1063 O LEU A 67 0.360 -3.440 5.776 1.00 5.54 O ATOM 1064 CB LEU A 67 1.749 -1.289 3.749 1.00 7.18 C ATOM 1065 CG LEU A 67 2.973 -1.132 2.792 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.462 -0.855 1.364 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.084 -0.231 3.355 1.00 11.66 C ATOM 0 H LEU A 67 3.062 -3.642 4.292 1.00 4.17 H new ATOM 0 HA LEU A 67 2.730 -1.245 5.728 1.00 3.85 H new ATOM 0 HB2 LEU A 67 0.988 -1.896 3.259 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.308 -0.309 3.929 1.00 7.18 H new ATOM 0 HG LEU A 67 3.526 -2.069 2.718 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.311 -0.744 0.689 1.00 8.12 H new ATOM 0 HD12 LEU A 67 1.841 -1.687 1.032 1.00 8.12 H new ATOM 0 HD13 LEU A 67 1.873 0.062 1.360 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.901 -0.169 2.636 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.685 0.767 3.539 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.455 -0.651 4.290 1.00 11.66 H new ATOM 1079 N HIS A 68 0.081 -1.445 6.432 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.326 -1.672 6.919 1.00 4.17 C ATOM 1081 C HIS A 68 -2.325 -0.957 5.935 1.00 5.32 C ATOM 1082 O HIS A 68 -2.002 0.148 5.552 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.481 -1.031 8.290 1.00 5.57 C ATOM 1084 CG HIS A 68 -2.789 -1.306 8.975 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -3.566 -0.394 9.575 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -3.372 -2.495 9.108 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -4.662 -1.014 10.031 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -4.589 -2.314 9.799 1.00 16.30 N ATOM 0 H HIS A 68 0.424 -0.510 6.654 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.532 -2.741 6.968 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.672 -1.380 8.931 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -1.362 0.047 8.186 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.981 -3.436 8.749 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -5.490 -0.521 10.520 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -5.266 -3.030 10.062 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.435 -1.614 5.571 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.326 -1.118 4.521 1.00 3.97 C ATOM 1098 C LEU A 69 -5.696 -0.809 5.118 1.00 5.07 C ATOM 1099 O LEU A 69 -6.314 -1.584 5.907 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.517 -2.235 3.436 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.613 -2.016 2.342 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.301 -0.838 1.397 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.699 -3.336 1.553 1.00 9.96 C ATOM 0 H LEU A 69 -3.735 -2.493 5.992 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.892 -0.221 4.080 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.562 -2.375 2.929 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.743 -3.168 3.953 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.559 -1.756 2.817 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.100 -0.740 0.662 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.225 0.083 1.976 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.357 -1.023 0.884 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.452 -3.244 0.771 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.731 -3.554 1.101 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.975 -4.146 2.228 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.182 0.407 4.800 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.311 1.007 5.355 1.00 6.26 C ATOM 1117 C VAL A 70 -8.037 1.632 4.174 1.00 9.22 C ATOM 1118 O VAL A 70 -7.460 1.917 3.108 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.005 2.043 6.503 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.352 1.336 7.725 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.074 3.178 6.135 1.00 8.54 C ATOM 0 H VAL A 70 -5.734 0.997 4.099 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.922 0.267 5.873 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.986 2.465 6.720 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.150 2.070 8.505 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.031 0.575 8.110 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.418 0.867 7.417 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.934 3.828 6.998 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.110 2.773 5.826 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.506 3.752 5.315 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.344 1.882 4.333 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.173 2.298 3.199 1.00 16.06 C ATOM 1133 C LEU A 71 -10.865 3.630 3.503 1.00 18.09 C ATOM 1134 O LEU A 71 -11.398 3.831 4.621 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.194 1.141 2.876 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.488 -0.173 2.450 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.595 -1.279 2.102 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.520 -0.053 1.270 1.00 19.57 C ATOM 0 H LEU A 71 -9.841 1.805 5.220 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.559 2.469 2.315 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.811 0.950 3.754 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.864 1.464 2.079 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.873 -0.455 3.305 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.103 -2.204 1.802 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.213 -1.465 2.981 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.223 -0.921 1.286 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.083 -1.029 1.057 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.059 0.303 0.392 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.728 0.652 1.520 1.00 19.57 H new