USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=20 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 142:sc= 1.71 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.0667 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.888 K(o=0.95,f=-5.6!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -177:sc= 0.608 (180deg=-0.0711) USER MOD Set 4.2: A 12 THR OG1 : rot 150:sc= 0.586 USER MOD Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.0136) USER MOD Single : A 1 MET N :NH3+ 169:sc= 1.24 (180deg=1.14) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 11 LYS NZ :NH3+ -151:sc= 1.21 (180deg=-0.122!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0289 USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 2.13 (180deg=1.98) USER MOD Single : A 29 LYS NZ :NH3+ -98:sc= 1.3 (180deg=-0.537) USER MOD Single : A 31 GLN : amide:sc= -0.447 K(o=-0.45,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ -124:sc= 0.00747 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 41 GLN : amide:sc= 1.1 K(o=1.1,f=-0.69) USER MOD Single : A 48 LYS NZ :NH3+ -173:sc= 0.783 (180deg=0.622) USER MOD Single : A 49 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.56) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.686 USER MOD Single : A 60 ASN : amide:sc= 0.0431 X(o=0.043,f=-0.016) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0646) 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 11.817 -6.914 -5.238 1.00 9.67 N ATOM 2 CA MET A 1 11.617 -6.889 -3.761 1.00 10.38 C ATOM 3 C MET A 1 10.212 -7.440 -3.365 1.00 9.62 C ATOM 4 O MET A 1 9.361 -7.597 -4.250 1.00 9.62 O ATOM 5 CB MET A 1 11.787 -5.420 -3.276 1.00 13.77 C ATOM 6 CG MET A 1 12.066 -5.288 -1.780 1.00 16.29 C ATOM 7 SD MET A 1 12.295 -3.478 -1.307 1.00 17.17 S ATOM 8 CE MET A 1 10.538 -2.901 -1.302 1.00 16.11 C ATOM 0 H1 MET A 1 12.673 -6.376 -5.482 1.00 9.67 H new ATOM 0 H2 MET A 1 11.924 -7.898 -5.557 1.00 9.67 H new ATOM 0 H3 MET A 1 10.994 -6.486 -5.707 1.00 9.67 H new ATOM 0 HA MET A 1 12.355 -7.534 -3.283 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.604 -4.958 -3.830 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.882 -4.862 -3.517 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.241 -5.717 -1.211 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.961 -5.854 -1.520 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.497 -1.863 -0.970 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.127 -2.977 -2.309 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.953 -3.522 -0.624 1.00 16.11 H new ATOM 20 N GLN A 2 9.997 -7.807 -2.102 1.00 9.27 N ATOM 21 CA GLN A 2 8.716 -8.353 -1.684 1.00 9.07 C ATOM 22 C GLN A 2 8.140 -7.533 -0.531 1.00 8.72 C ATOM 23 O GLN A 2 8.862 -7.164 0.349 1.00 8.22 O ATOM 24 CB GLN A 2 9.057 -9.748 -1.155 1.00 14.46 C ATOM 25 CG GLN A 2 8.037 -10.390 -0.265 1.00 17.01 C ATOM 26 CD GLN A 2 8.417 -11.851 -0.083 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.057 -12.191 0.921 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.975 -12.625 -1.087 1.00 19.49 N ATOM 0 H GLN A 2 10.691 -7.735 -1.358 1.00 9.27 H new ATOM 0 HA GLN A 2 7.989 -8.354 -2.497 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.228 -10.405 -2.008 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.997 -9.685 -0.607 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.002 -9.884 0.700 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.043 -10.308 -0.705 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.455 -12.210 -1.860 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.159 -13.628 -1.077 1.00 19.49 H new ATOM 37 N ILE A 3 6.818 -7.156 -0.547 1.00 5.87 N ATOM 38 CA ILE A 3 6.204 -6.467 0.604 1.00 5.07 C ATOM 39 C ILE A 3 4.925 -7.169 0.994 1.00 4.01 C ATOM 40 O ILE A 3 4.285 -7.828 0.219 1.00 4.61 O ATOM 41 CB ILE A 3 5.996 -4.933 0.493 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.073 -4.650 -0.741 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.354 -4.261 0.424 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.745 -3.174 -0.864 1.00 10.83 C ATOM 0 H ILE A 3 6.186 -7.320 -1.330 1.00 5.87 H new ATOM 0 HA ILE A 3 6.954 -6.542 1.392 1.00 5.07 H new ATOM 0 HB ILE A 3 5.492 -4.516 1.365 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.566 -4.991 -1.651 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.150 -5.222 -0.645 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.222 -3.182 0.346 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.921 -4.493 1.326 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.896 -4.625 -0.449 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.103 -3.015 -1.731 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.229 -2.840 0.036 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.667 -2.605 -0.986 1.00 10.83 H new ATOM 56 N PHE A 4 4.592 -7.084 2.277 1.00 4.55 N ATOM 57 CA PHE A 4 3.447 -7.738 2.856 1.00 4.68 C ATOM 58 C PHE A 4 2.431 -6.654 3.161 1.00 5.30 C ATOM 59 O PHE A 4 2.789 -5.606 3.690 1.00 5.58 O ATOM 60 CB PHE A 4 3.718 -8.556 4.114 1.00 4.83 C ATOM 61 CG PHE A 4 5.056 -9.314 4.052 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.217 -10.445 3.190 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.183 -8.906 4.765 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.320 -11.215 3.230 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.358 -9.723 4.826 1.00 10.61 C ATOM 66 CZ PHE A 4 7.389 -10.882 4.046 1.00 8.90 C ATOM 0 H PHE A 4 5.131 -6.542 2.952 1.00 4.55 H new ATOM 0 HA PHE A 4 3.095 -8.472 2.131 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.720 -7.894 4.980 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.907 -9.270 4.260 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.432 -10.687 2.489 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.170 -7.957 5.280 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.373 -12.104 2.618 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.193 -9.452 5.455 1.00 10.61 H new ATOM 0 HZ PHE A 4 8.256 -11.525 4.080 1.00 8.90 H new ATOM 76 N VAL A 5 1.147 -6.862 2.858 1.00 4.44 N ATOM 77 CA VAL A 5 0.183 -5.855 3.150 1.00 3.87 C ATOM 78 C VAL A 5 -0.969 -6.501 3.956 1.00 4.93 C ATOM 79 O VAL A 5 -1.467 -7.587 3.658 1.00 6.84 O ATOM 80 CB VAL A 5 -0.398 -5.148 1.943 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.536 -4.263 2.359 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.729 -4.316 1.311 1.00 9.13 C ATOM 0 H VAL A 5 0.778 -7.706 2.421 1.00 4.44 H new ATOM 0 HA VAL A 5 0.711 -5.085 3.713 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.787 -5.869 1.224 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.945 -3.760 1.483 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.314 -4.866 2.827 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.177 -3.519 3.070 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.347 -3.791 0.436 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.097 -3.591 2.037 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.544 -4.975 1.011 1.00 9.13 H new ATOM 92 N LYS A 6 -1.269 -5.972 5.157 1.00 6.04 N ATOM 93 CA LYS A 6 -2.307 -6.473 5.999 1.00 6.12 C ATOM 94 C LYS A 6 -3.628 -5.740 5.787 1.00 6.57 C ATOM 95 O LYS A 6 -3.682 -4.523 5.601 1.00 5.76 O ATOM 96 CB LYS A 6 -1.982 -6.549 7.501 1.00 7.45 C ATOM 97 CG LYS A 6 -0.872 -7.531 7.913 1.00 11.12 C ATOM 98 CD LYS A 6 -0.291 -7.430 9.345 1.00 14.54 C ATOM 99 CE LYS A 6 0.681 -8.507 9.735 1.00 18.84 C ATOM 100 NZ LYS A 6 0.100 -9.886 9.666 1.00 20.55 N ATOM 0 H LYS A 6 -0.774 -5.172 5.552 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.403 -7.508 5.672 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.699 -5.552 7.840 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.893 -6.820 8.034 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.258 -8.542 7.782 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.047 -7.412 7.211 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.205 -6.465 9.448 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.119 -7.440 10.054 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.552 -8.454 9.081 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.032 -8.319 10.750 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.805 -10.576 9.995 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.744 -9.938 10.271 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.164 -10.103 8.684 1.00 20.55 H new ATOM 114 N THR A 7 -4.779 -6.417 5.693 1.00 7.41 N ATOM 115 CA THR A 7 -6.110 -5.818 5.391 1.00 7.48 C ATOM 116 C THR A 7 -6.864 -5.390 6.614 1.00 8.75 C ATOM 117 O THR A 7 -6.330 -4.923 7.642 1.00 8.58 O ATOM 118 CB THR A 7 -6.995 -6.729 4.536 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.360 -7.969 5.213 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.144 -7.197 3.323 1.00 9.17 C ATOM 0 H THR A 7 -4.825 -7.427 5.827 1.00 7.41 H new ATOM 0 HA THR A 7 -5.874 -4.924 4.813 1.00 7.48 H new ATOM 0 HB THR A 7 -7.891 -6.160 4.289 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.925 -8.510 4.623 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.743 -7.850 2.689 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.822 -6.329 2.748 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.269 -7.741 3.680 1.00 9.17 H new ATOM 128 N LEU A 8 -8.220 -5.467 6.629 1.00 9.84 N ATOM 129 CA LEU A 8 -9.097 -4.937 7.673 1.00 14.15 C ATOM 130 C LEU A 8 -9.868 -6.033 8.404 1.00 17.37 C ATOM 131 O LEU A 8 -10.506 -5.817 9.432 1.00 17.01 O ATOM 132 CB LEU A 8 -10.256 -4.052 7.094 1.00 16.63 C ATOM 133 CG LEU A 8 -9.774 -2.671 6.611 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.891 -1.891 5.866 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.151 -1.850 7.792 1.00 18.59 C ATOM 0 H LEU A 8 -8.740 -5.921 5.878 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.410 -4.387 8.316 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.727 -4.578 6.263 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -11.020 -3.917 7.860 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.983 -2.833 5.879 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.506 -0.923 5.544 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.214 -2.461 4.995 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.738 -1.740 6.535 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.819 -0.879 7.425 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.900 -1.706 8.570 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.300 -2.393 8.204 1.00 18.59 H new ATOM 147 N THR A 9 -9.659 -7.300 7.932 1.00 18.33 N ATOM 148 CA THR A 9 -10.198 -8.512 8.558 1.00 19.24 C ATOM 149 C THR A 9 -9.107 -9.428 9.081 1.00 19.48 C ATOM 150 O THR A 9 -9.369 -10.581 9.445 1.00 23.14 O ATOM 151 CB THR A 9 -11.093 -9.297 7.544 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.379 -9.497 6.345 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.349 -8.473 7.100 1.00 19.70 C ATOM 0 H THR A 9 -9.104 -7.492 7.098 1.00 18.33 H new ATOM 0 HA THR A 9 -10.797 -8.187 9.409 1.00 19.24 H new ATOM 0 HB THR A 9 -11.381 -10.219 8.049 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.939 -9.990 5.709 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.939 -9.060 6.396 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.956 -8.236 7.974 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.027 -7.549 6.621 1.00 19.70 H new ATOM 161 N GLY A 10 -7.835 -8.895 9.033 1.00 19.43 N ATOM 162 CA GLY A 10 -6.644 -9.500 9.612 1.00 18.74 C ATOM 163 C GLY A 10 -5.867 -10.296 8.631 1.00 17.62 C ATOM 164 O GLY A 10 -4.926 -10.974 9.056 1.00 19.74 O ATOM 0 H GLY A 10 -7.638 -8.007 8.571 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.007 -8.716 10.022 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.936 -10.142 10.443 1.00 18.74 H new ATOM 168 N LYS A 11 -6.304 -10.322 7.396 1.00 13.56 N ATOM 169 CA LYS A 11 -5.681 -11.041 6.288 1.00 11.91 C ATOM 170 C LYS A 11 -4.365 -10.404 5.869 1.00 10.18 C ATOM 171 O LYS A 11 -4.251 -9.163 5.853 1.00 9.10 O ATOM 172 CB LYS A 11 -6.684 -11.301 5.070 1.00 13.43 C ATOM 173 CG LYS A 11 -6.237 -12.435 4.139 1.00 16.69 C ATOM 174 CD LYS A 11 -7.241 -12.702 3.028 1.00 17.92 C ATOM 175 CE LYS A 11 -7.033 -11.727 1.835 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.779 -12.136 0.648 1.00 21.93 N ATOM 0 H LYS A 11 -7.145 -9.820 7.112 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.431 -12.035 6.658 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.672 -11.536 5.467 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.784 -10.384 4.490 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.272 -12.182 3.700 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.093 -13.345 4.722 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.139 -13.731 2.682 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.254 -12.595 3.416 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.344 -10.725 2.129 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.971 -11.673 1.594 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.280 -11.811 -0.205 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.859 -13.173 0.628 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.730 -11.716 0.674 1.00 21.93 H new ATOM 190 N THR A 12 -3.393 -11.231 5.499 1.00 9.63 N ATOM 191 CA THR A 12 -2.126 -10.805 4.989 1.00 9.85 C ATOM 192 C THR A 12 -1.918 -11.214 3.527 1.00 11.66 C ATOM 193 O THR A 12 -1.973 -12.435 3.223 1.00 12.33 O ATOM 194 CB THR A 12 -0.914 -11.247 5.844 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.099 -11.025 7.234 1.00 10.91 O ATOM 196 CG2 THR A 12 0.299 -10.360 5.422 1.00 9.63 C ATOM 0 H THR A 12 -3.484 -12.246 5.554 1.00 9.63 H new ATOM 0 HA THR A 12 -2.169 -9.717 5.047 1.00 9.85 H new ATOM 0 HB THR A 12 -0.770 -12.315 5.679 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.601 -11.699 7.742 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.176 -10.642 6.004 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.505 -10.506 4.362 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.064 -9.311 5.605 1.00 9.63 H new ATOM 204 N ILE A 13 -1.648 -10.244 2.603 1.00 10.42 N ATOM 205 CA ILE A 13 -1.279 -10.583 1.236 1.00 11.84 C ATOM 206 C ILE A 13 0.180 -10.305 0.997 1.00 10.55 C ATOM 207 O ILE A 13 0.805 -9.541 1.718 1.00 11.92 O ATOM 208 CB ILE A 13 -2.069 -9.783 0.210 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.097 -8.308 0.587 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.475 -10.405 0.123 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.727 -7.354 -0.478 1.00 16.46 C ATOM 0 H ILE A 13 -1.684 -9.243 2.797 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.501 -11.643 1.117 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.600 -9.828 -0.773 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.651 -8.200 1.519 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.076 -7.981 0.783 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.072 -9.856 -0.605 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.393 -11.447 -0.187 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.957 -10.353 1.099 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.697 -6.328 -0.111 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.162 -7.423 -1.408 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.762 -7.644 -0.660 1.00 16.46 H new ATOM 223 N THR A 14 0.799 -11.000 0.013 1.00 9.39 N ATOM 224 CA THR A 14 2.238 -10.883 -0.328 1.00 9.63 C ATOM 225 C THR A 14 2.411 -10.365 -1.718 1.00 11.20 C ATOM 226 O THR A 14 1.878 -10.920 -2.672 1.00 11.63 O ATOM 227 CB THR A 14 3.068 -12.210 -0.182 1.00 10.38 C ATOM 228 OG1 THR A 14 2.973 -12.883 1.074 1.00 16.30 O ATOM 229 CG2 THR A 14 4.576 -11.897 -0.366 1.00 11.66 C ATOM 0 H THR A 14 0.304 -11.669 -0.577 1.00 9.39 H new ATOM 0 HA THR A 14 2.634 -10.184 0.409 1.00 9.63 H new ATOM 0 HB THR A 14 2.639 -12.863 -0.941 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.525 -13.693 1.054 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.153 -12.816 -0.265 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.741 -11.472 -1.356 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.895 -11.183 0.394 1.00 11.66 H new ATOM 237 N LEU A 15 3.123 -9.255 -1.899 1.00 8.29 N ATOM 238 CA LEU A 15 3.383 -8.638 -3.154 1.00 9.03 C ATOM 239 C LEU A 15 4.820 -8.800 -3.554 1.00 8.59 C ATOM 240 O LEU A 15 5.739 -9.145 -2.777 1.00 7.79 O ATOM 241 CB LEU A 15 3.070 -7.143 -3.127 1.00 11.08 C ATOM 242 CG LEU A 15 1.648 -6.817 -2.661 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.548 -5.382 -2.199 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.515 -7.251 -3.628 1.00 15.27 C ATOM 0 H LEU A 15 3.547 -8.752 -1.120 1.00 8.29 H new ATOM 0 HA LEU A 15 2.734 -9.135 -3.875 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.781 -6.644 -2.469 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.218 -6.732 -4.126 1.00 11.08 H new ATOM 0 HG LEU A 15 1.464 -7.453 -1.795 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.529 -5.175 -1.873 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.235 -5.218 -1.369 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.808 -4.716 -3.022 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.451 -6.974 -3.205 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.646 -6.753 -4.589 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.552 -8.331 -3.771 1.00 15.27 H new ATOM 256 N GLU A 16 5.090 -8.608 -4.860 1.00 11.04 N ATOM 257 CA GLU A 16 6.456 -8.517 -5.452 1.00 11.50 C ATOM 258 C GLU A 16 6.486 -7.184 -6.149 1.00 10.13 C ATOM 259 O GLU A 16 5.653 -6.849 -6.936 1.00 9.83 O ATOM 260 CB GLU A 16 6.656 -9.684 -6.456 1.00 17.22 C ATOM 261 CG GLU A 16 8.085 -9.797 -7.024 1.00 23.33 C ATOM 262 CD GLU A 16 8.277 -11.157 -7.599 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.307 -12.198 -6.815 1.00 28.90 O ATOM 264 OE2 GLU A 16 8.444 -11.237 -8.827 1.00 28.86 O ATOM 0 H GLU A 16 4.352 -8.508 -5.557 1.00 11.04 H new ATOM 0 HA GLU A 16 7.252 -8.593 -4.712 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.399 -10.621 -5.961 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.958 -9.559 -7.284 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.245 -9.039 -7.791 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.817 -9.615 -6.237 1.00 23.33 H new ATOM 271 N VAL A 17 7.428 -6.355 -5.785 1.00 8.99 N ATOM 272 CA VAL A 17 7.392 -4.917 -5.971 1.00 8.85 C ATOM 273 C VAL A 17 8.847 -4.465 -6.223 1.00 8.04 C ATOM 274 O VAL A 17 9.810 -5.167 -5.933 1.00 8.99 O ATOM 275 CB VAL A 17 6.760 -4.123 -4.853 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.263 -4.439 -4.616 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.623 -4.388 -3.576 1.00 10.54 C ATOM 0 H VAL A 17 8.284 -6.672 -5.329 1.00 8.99 H new ATOM 0 HA VAL A 17 6.735 -4.710 -6.816 1.00 8.85 H new ATOM 0 HB VAL A 17 6.756 -3.067 -5.122 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.887 -3.826 -3.797 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.697 -4.221 -5.522 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.149 -5.493 -4.362 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.207 -3.834 -2.734 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.617 -5.454 -3.348 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.647 -4.061 -3.755 1.00 10.54 H new ATOM 287 N GLU A 18 9.086 -3.241 -6.791 1.00 7.29 N ATOM 288 CA GLU A 18 10.399 -2.657 -6.861 1.00 7.08 C ATOM 289 C GLU A 18 10.393 -1.410 -5.983 1.00 6.45 C ATOM 290 O GLU A 18 9.373 -0.823 -5.801 1.00 5.28 O ATOM 291 CB GLU A 18 10.602 -2.120 -8.314 1.00 10.28 C ATOM 292 CG GLU A 18 10.852 -3.218 -9.381 1.00 12.65 C ATOM 293 CD GLU A 18 12.069 -4.127 -9.054 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.142 -3.650 -8.644 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.946 -5.385 -9.299 1.00 14.33 O ATOM 0 H GLU A 18 8.354 -2.661 -7.202 1.00 7.29 H new ATOM 0 HA GLU A 18 11.156 -3.384 -6.567 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.721 -1.547 -8.602 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.446 -1.430 -8.317 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.959 -3.837 -9.472 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.011 -2.744 -10.350 1.00 12.65 H new ATOM 302 N PRO A 19 11.511 -0.931 -5.464 1.00 7.24 N ATOM 303 CA PRO A 19 11.592 0.306 -4.675 1.00 7.07 C ATOM 304 C PRO A 19 11.153 1.594 -5.419 1.00 6.65 C ATOM 305 O PRO A 19 10.841 2.608 -4.803 1.00 6.37 O ATOM 306 CB PRO A 19 13.060 0.481 -4.185 1.00 7.61 C ATOM 307 CG PRO A 19 13.855 -0.560 -5.002 1.00 8.16 C ATOM 308 CD PRO A 19 12.782 -1.546 -5.542 1.00 7.49 C ATOM 0 HA PRO A 19 10.885 0.188 -3.854 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.423 1.492 -4.367 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.147 0.299 -3.114 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.404 -0.088 -5.817 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.588 -1.075 -4.380 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.006 -1.818 -6.573 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.791 -2.468 -4.960 1.00 7.49 H new ATOM 316 N SER A 20 11.137 1.472 -6.762 1.00 6.80 N ATOM 317 CA SER A 20 10.959 2.587 -7.604 1.00 6.28 C ATOM 318 C SER A 20 9.533 2.606 -8.087 1.00 8.45 C ATOM 319 O SER A 20 9.157 3.478 -8.882 1.00 7.26 O ATOM 320 CB SER A 20 11.906 2.412 -8.793 1.00 8.57 C ATOM 321 OG SER A 20 11.991 1.059 -9.293 1.00 11.13 O ATOM 0 H SER A 20 11.250 0.586 -7.255 1.00 6.80 H new ATOM 0 HA SER A 20 11.170 3.520 -7.082 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.579 3.066 -9.602 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.903 2.742 -8.500 1.00 8.57 H new ATOM 0 HG SER A 20 12.612 1.029 -10.051 1.00 11.13 H new ATOM 327 N ASP A 21 8.751 1.608 -7.732 1.00 7.50 N ATOM 328 CA ASP A 21 7.293 1.742 -7.760 1.00 7.70 C ATOM 329 C ASP A 21 6.809 2.857 -6.777 1.00 7.08 C ATOM 330 O ASP A 21 7.390 3.052 -5.710 1.00 8.11 O ATOM 331 CB ASP A 21 6.707 0.326 -7.417 1.00 11.00 C ATOM 332 CG ASP A 21 7.083 -0.646 -8.543 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.348 -0.211 -9.681 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.179 -1.835 -8.156 1.00 14.36 O ATOM 0 H ASP A 21 9.089 0.697 -7.421 1.00 7.50 H new ATOM 0 HA ASP A 21 6.939 2.059 -8.741 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.103 -0.027 -6.465 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.624 0.381 -7.311 1.00 11.00 H new ATOM 339 N THR A 22 5.702 3.590 -7.155 1.00 5.37 N ATOM 340 CA THR A 22 4.994 4.494 -6.255 1.00 6.01 C ATOM 341 C THR A 22 3.984 3.744 -5.366 1.00 8.01 C ATOM 342 O THR A 22 3.616 2.624 -5.639 1.00 8.11 O ATOM 343 CB THR A 22 4.316 5.617 -6.945 1.00 8.92 C ATOM 344 OG1 THR A 22 3.235 5.209 -7.806 1.00 10.22 O ATOM 345 CG2 THR A 22 5.348 6.571 -7.641 1.00 9.65 C ATOM 0 H THR A 22 5.301 3.550 -8.092 1.00 5.37 H new ATOM 0 HA THR A 22 5.773 4.927 -5.628 1.00 6.01 H new ATOM 0 HB THR A 22 3.823 6.201 -6.168 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.835 5.999 -8.225 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.816 7.383 -8.137 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.024 6.984 -6.892 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.922 6.010 -8.378 1.00 9.65 H new ATOM 353 N ILE A 23 3.460 4.436 -4.312 1.00 8.32 N ATOM 354 CA ILE A 23 2.275 3.940 -3.539 1.00 9.92 C ATOM 355 C ILE A 23 1.052 3.758 -4.374 1.00 10.01 C ATOM 356 O ILE A 23 0.291 2.825 -4.166 1.00 8.71 O ATOM 357 CB ILE A 23 1.989 4.918 -2.438 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.184 5.070 -1.488 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.622 4.664 -1.792 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.686 3.820 -0.751 1.00 12.30 C ATOM 0 H ILE A 23 3.831 5.326 -3.980 1.00 8.32 H new ATOM 0 HA ILE A 23 2.527 2.954 -3.148 1.00 9.92 H new ATOM 0 HB ILE A 23 1.881 5.916 -2.864 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.017 5.475 -2.062 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.921 5.816 -0.738 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.453 5.393 -1.000 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.160 4.759 -2.546 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.600 3.659 -1.371 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.533 4.086 -0.119 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.884 3.416 -0.133 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.998 3.070 -1.478 1.00 12.30 H new ATOM 372 N GLU A 24 0.803 4.629 -5.410 1.00 9.54 N ATOM 373 CA GLU A 24 -0.277 4.393 -6.357 1.00 11.81 C ATOM 374 C GLU A 24 -0.118 3.124 -7.201 1.00 11.14 C ATOM 375 O GLU A 24 -1.059 2.347 -7.345 1.00 10.62 O ATOM 376 CB GLU A 24 -0.437 5.614 -7.281 1.00 19.24 C ATOM 377 CG GLU A 24 -1.200 5.375 -8.587 1.00 27.76 C ATOM 378 CD GLU A 24 -1.566 6.679 -9.226 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.673 7.490 -9.624 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.801 6.987 -9.391 1.00 34.80 O ATOM 0 H GLU A 24 1.341 5.478 -5.584 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.172 4.240 -5.753 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.947 6.401 -6.725 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.556 5.990 -7.528 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.587 4.787 -9.271 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.101 4.795 -8.388 1.00 27.76 H new ATOM 387 N ASN A 25 1.104 2.816 -7.633 1.00 9.43 N ATOM 388 CA ASN A 25 1.447 1.631 -8.384 1.00 10.96 C ATOM 389 C ASN A 25 1.299 0.365 -7.582 1.00 9.68 C ATOM 390 O ASN A 25 0.941 -0.690 -8.100 1.00 9.33 O ATOM 391 CB ASN A 25 2.959 1.699 -8.736 1.00 16.78 C ATOM 392 CG ASN A 25 3.409 2.695 -9.748 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.578 3.082 -9.694 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.602 3.031 -10.794 1.00 24.70 N ATOM 0 H ASN A 25 1.909 3.417 -7.457 1.00 9.43 H new ATOM 0 HA ASN A 25 0.781 1.606 -9.247 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.506 1.894 -7.813 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.263 0.712 -9.084 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.963 3.613 -11.550 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.637 2.701 -10.820 1.00 24.70 H new ATOM 401 N VAL A 26 1.628 0.475 -6.245 1.00 6.52 N ATOM 402 CA VAL A 26 1.514 -0.610 -5.258 1.00 5.53 C ATOM 403 C VAL A 26 -0.029 -0.858 -4.981 1.00 4.42 C ATOM 404 O VAL A 26 -0.390 -2.014 -5.028 1.00 3.40 O ATOM 405 CB VAL A 26 2.256 -0.370 -4.010 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.928 -1.315 -2.824 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.752 -0.524 -4.403 1.00 8.12 C ATOM 0 H VAL A 26 1.983 1.342 -5.841 1.00 6.52 H new ATOM 0 HA VAL A 26 1.981 -1.500 -5.679 1.00 5.53 H new ATOM 0 HB VAL A 26 1.978 0.613 -3.630 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.536 -1.041 -1.962 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.873 -1.224 -2.568 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.145 -2.345 -3.108 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.377 -0.360 -3.526 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.925 -1.528 -4.789 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.004 0.208 -5.170 1.00 8.12 H new ATOM 417 N LYS A 27 -0.858 0.187 -4.819 1.00 2.64 N ATOM 418 CA LYS A 27 -2.282 0.020 -4.711 1.00 4.14 C ATOM 419 C LYS A 27 -2.978 -0.529 -5.984 1.00 5.58 C ATOM 420 O LYS A 27 -3.942 -1.300 -5.944 1.00 4.11 O ATOM 421 CB LYS A 27 -2.886 1.385 -4.368 1.00 3.97 C ATOM 422 CG LYS A 27 -2.629 1.786 -2.908 1.00 7.45 C ATOM 423 CD LYS A 27 -3.511 2.914 -2.397 1.00 9.02 C ATOM 424 CE LYS A 27 -3.176 4.280 -2.933 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.186 5.373 -2.643 1.00 15.47 N ATOM 0 H LYS A 27 -0.544 1.156 -4.762 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.451 -0.731 -3.939 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.466 2.142 -5.030 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.960 1.361 -4.552 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.776 0.912 -2.274 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.585 2.083 -2.805 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.547 2.686 -2.648 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.445 2.941 -1.309 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.213 4.584 -2.522 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.052 4.204 -4.013 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.873 6.261 -3.085 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.112 5.101 -3.030 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.266 5.508 -1.615 1.00 15.47 H new ATOM 439 N ALA A 28 -2.479 -0.258 -7.216 1.00 6.61 N ATOM 440 CA ALA A 28 -3.004 -0.963 -8.347 1.00 7.74 C ATOM 441 C ALA A 28 -2.695 -2.456 -8.285 1.00 9.17 C ATOM 442 O ALA A 28 -3.457 -3.263 -8.808 1.00 11.45 O ATOM 443 CB ALA A 28 -2.382 -0.342 -9.663 1.00 7.68 C ATOM 0 H ALA A 28 -1.744 0.420 -7.419 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.089 -0.857 -8.345 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.772 -0.869 -10.534 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.647 0.713 -9.728 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.297 -0.442 -9.635 1.00 7.68 H new ATOM 449 N LYS A 29 -1.521 -2.895 -7.836 1.00 8.96 N ATOM 450 CA LYS A 29 -1.119 -4.325 -7.652 1.00 7.90 C ATOM 451 C LYS A 29 -1.937 -4.998 -6.542 1.00 6.92 C ATOM 452 O LYS A 29 -2.299 -6.149 -6.673 1.00 6.87 O ATOM 453 CB LYS A 29 0.424 -4.454 -7.405 1.00 10.28 C ATOM 454 CG LYS A 29 1.046 -5.832 -7.795 1.00 14.94 C ATOM 455 CD LYS A 29 2.603 -5.822 -7.796 1.00 19.69 C ATOM 456 CE LYS A 29 3.180 -5.369 -9.072 1.00 22.63 C ATOM 457 NZ LYS A 29 4.606 -5.600 -9.079 1.00 24.98 N ATOM 0 H LYS A 29 -0.776 -2.250 -7.573 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.342 -4.856 -8.578 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.933 -3.671 -7.968 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.624 -4.269 -6.350 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.694 -6.593 -7.098 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.690 -6.117 -8.785 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.956 -5.173 -6.995 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.966 -6.826 -7.577 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.713 -5.901 -9.901 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.974 -4.309 -9.217 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.101 -4.721 -8.828 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.841 -6.340 -8.387 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.903 -5.906 -10.027 1.00 24.98 H new ATOM 471 N ILE A 30 -2.226 -4.282 -5.434 1.00 4.57 N ATOM 472 CA ILE A 30 -3.267 -4.719 -4.438 1.00 5.58 C ATOM 473 C ILE A 30 -4.693 -4.758 -4.970 1.00 7.26 C ATOM 474 O ILE A 30 -5.452 -5.708 -4.743 1.00 9.46 O ATOM 475 CB ILE A 30 -3.122 -3.771 -3.279 1.00 5.36 C ATOM 476 CG1 ILE A 30 -1.839 -3.872 -2.378 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.318 -3.925 -2.287 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.506 -2.555 -1.620 1.00 2.00 C ATOM 0 H ILE A 30 -1.765 -3.404 -5.195 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.094 -5.758 -4.159 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.067 -2.818 -3.806 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.977 -4.674 -1.653 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -0.988 -4.148 -3.001 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.193 -3.230 -1.456 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.251 -3.707 -2.806 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.345 -4.946 -1.906 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.609 -2.699 -1.018 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.336 -1.754 -2.340 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.340 -2.288 -0.970 1.00 2.00 H new ATOM 490 N GLN A 31 -5.084 -3.827 -5.852 1.00 7.06 N ATOM 491 CA GLN A 31 -6.400 -3.778 -6.451 1.00 8.67 C ATOM 492 C GLN A 31 -6.525 -5.013 -7.337 1.00 10.90 C ATOM 493 O GLN A 31 -7.553 -5.667 -7.349 1.00 9.63 O ATOM 494 CB GLN A 31 -6.626 -2.600 -7.419 1.00 9.12 C ATOM 495 CG GLN A 31 -7.973 -2.429 -8.115 1.00 10.76 C ATOM 496 CD GLN A 31 -7.983 -1.494 -9.325 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.944 -1.008 -9.837 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.213 -1.084 -9.769 1.00 14.76 N ATOM 0 H GLN A 31 -4.470 -3.076 -6.167 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.107 -3.696 -5.626 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.430 -1.683 -6.864 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.866 -2.670 -8.197 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.322 -3.411 -8.435 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.693 -2.057 -7.386 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.060 -1.475 -9.357 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.281 -0.388 -10.511 1.00 14.76 H new ATOM 507 N ASP A 32 -5.445 -5.394 -8.037 1.00 10.93 N ATOM 508 CA ASP A 32 -5.365 -6.658 -8.756 1.00 14.01 C ATOM 509 C ASP A 32 -5.452 -7.939 -7.875 1.00 14.04 C ATOM 510 O ASP A 32 -6.215 -8.840 -8.269 1.00 13.39 O ATOM 511 CB ASP A 32 -4.139 -6.727 -9.665 1.00 18.01 C ATOM 512 CG ASP A 32 -4.100 -7.914 -10.548 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.107 -8.211 -11.252 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.059 -8.669 -10.493 1.00 26.29 O ATOM 0 H ASP A 32 -4.602 -4.825 -8.115 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.270 -6.658 -9.364 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.108 -5.829 -10.282 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.242 -6.720 -9.046 1.00 18.01 H new ATOM 519 N LYS A 33 -4.852 -7.974 -6.728 1.00 14.22 N ATOM 520 CA LYS A 33 -5.005 -9.074 -5.768 1.00 14.00 C ATOM 521 C LYS A 33 -6.428 -9.165 -5.118 1.00 12.37 C ATOM 522 O LYS A 33 -7.097 -10.209 -5.185 1.00 12.17 O ATOM 523 CB LYS A 33 -4.028 -8.840 -4.513 1.00 18.62 C ATOM 524 CG LYS A 33 -2.593 -9.180 -4.845 1.00 24.00 C ATOM 525 CD LYS A 33 -2.350 -10.658 -4.717 1.00 27.61 C ATOM 526 CE LYS A 33 -0.883 -10.977 -4.988 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.477 -12.325 -4.512 1.00 30.06 N ATOM 0 H LYS A 33 -4.226 -7.236 -6.406 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.795 -9.972 -6.349 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.090 -7.800 -4.194 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.361 -9.451 -3.674 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.364 -8.856 -5.860 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.923 -8.638 -4.178 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.624 -10.993 -3.717 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.983 -11.200 -5.419 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.695 -10.906 -6.059 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.259 -10.225 -4.504 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.329 -12.235 -3.861 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.274 -12.773 -4.016 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.201 -12.912 -5.325 1.00 30.06 H new ATOM 541 N GLU A 34 -6.870 -8.012 -4.485 1.00 10.11 N ATOM 542 CA GLU A 34 -8.042 -7.912 -3.639 1.00 10.07 C ATOM 543 C GLU A 34 -9.224 -7.114 -4.096 1.00 9.32 C ATOM 544 O GLU A 34 -10.304 -7.167 -3.461 1.00 11.61 O ATOM 545 CB GLU A 34 -7.597 -7.310 -2.237 1.00 14.77 C ATOM 546 CG GLU A 34 -6.640 -8.144 -1.433 1.00 18.75 C ATOM 547 CD GLU A 34 -7.344 -9.448 -1.044 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.445 -9.402 -0.439 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.848 -10.587 -1.279 1.00 21.95 O ATOM 0 H GLU A 34 -6.378 -7.123 -4.578 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.407 -8.939 -3.631 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.140 -6.336 -2.411 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.491 -7.140 -1.637 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.742 -8.356 -2.013 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.323 -7.604 -0.541 1.00 18.75 H new ATOM 556 N GLY A 35 -9.158 -6.393 -5.219 1.00 7.22 N ATOM 557 CA GLY A 35 -10.398 -5.876 -5.914 1.00 6.29 C ATOM 558 C GLY A 35 -10.839 -4.476 -5.545 1.00 6.93 C ATOM 559 O GLY A 35 -11.649 -3.860 -6.202 1.00 7.41 O ATOM 0 H GLY A 35 -8.284 -6.143 -5.681 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.226 -5.908 -6.990 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.219 -6.560 -5.702 1.00 6.29 H new ATOM 563 N ILE A 36 -10.301 -3.969 -4.467 1.00 5.86 N ATOM 564 CA ILE A 36 -10.554 -2.648 -3.939 1.00 6.07 C ATOM 565 C ILE A 36 -10.013 -1.484 -4.796 1.00 6.36 C ATOM 566 O ILE A 36 -8.836 -1.581 -5.141 1.00 6.18 O ATOM 567 CB ILE A 36 -9.950 -2.508 -2.544 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.858 -3.894 -1.780 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.763 -1.450 -1.778 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.329 -3.749 -0.387 1.00 9.49 C ATOM 0 H ILE A 36 -9.636 -4.495 -3.899 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.641 -2.567 -3.931 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.915 -2.175 -2.623 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.847 -4.351 -1.743 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.214 -4.572 -2.341 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.351 -1.330 -0.776 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.712 -0.499 -2.307 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.802 -1.771 -1.707 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.287 -4.728 0.090 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.328 -3.319 -0.421 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.986 -3.094 0.185 1.00 9.49 H new ATOM 582 N PRO A 37 -10.747 -0.346 -4.993 1.00 8.65 N ATOM 583 CA PRO A 37 -10.268 0.631 -5.950 1.00 9.18 C ATOM 584 C PRO A 37 -9.094 1.500 -5.359 1.00 9.85 C ATOM 585 O PRO A 37 -9.274 1.812 -4.175 1.00 8.51 O ATOM 586 CB PRO A 37 -11.505 1.390 -6.349 1.00 11.42 C ATOM 587 CG PRO A 37 -12.660 0.558 -5.987 1.00 9.27 C ATOM 588 CD PRO A 37 -12.241 -0.203 -4.741 1.00 8.33 C ATOM 0 HA PRO A 37 -9.801 0.194 -6.833 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.548 2.352 -5.838 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.501 1.598 -7.419 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.540 1.172 -5.794 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.919 -0.126 -6.795 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.456 0.349 -3.826 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.741 -1.168 -4.656 1.00 8.33 H new ATOM 596 N PRO A 38 -7.955 1.886 -5.992 1.00 8.71 N ATOM 597 CA PRO A 38 -6.896 2.618 -5.380 1.00 9.08 C ATOM 598 C PRO A 38 -7.221 3.919 -4.730 1.00 9.28 C ATOM 599 O PRO A 38 -6.499 4.363 -3.845 1.00 6.50 O ATOM 600 CB PRO A 38 -5.828 2.775 -6.430 1.00 10.31 C ATOM 601 CG PRO A 38 -6.050 1.500 -7.333 1.00 10.81 C ATOM 602 CD PRO A 38 -7.543 1.254 -7.273 1.00 12.00 C ATOM 0 HA PRO A 38 -6.580 2.036 -4.514 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.947 3.699 -6.996 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.829 2.795 -5.994 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.716 1.674 -8.356 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.490 0.644 -6.957 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.057 1.702 -8.124 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.774 0.189 -7.286 1.00 12.00 H new ATOM 610 N ASP A 39 -8.280 4.629 -5.229 1.00 11.20 N ATOM 611 CA ASP A 39 -8.801 5.875 -4.656 1.00 14.96 C ATOM 612 C ASP A 39 -9.835 5.608 -3.537 1.00 13.99 C ATOM 613 O ASP A 39 -10.327 6.583 -2.904 1.00 13.75 O ATOM 614 CB ASP A 39 -9.491 6.611 -5.844 1.00 24.16 C ATOM 615 CG ASP A 39 -9.566 8.156 -5.642 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.467 8.768 -5.815 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.651 8.744 -5.391 1.00 35.55 O ATOM 0 H ASP A 39 -8.793 4.330 -6.058 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.000 6.457 -4.201 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -8.946 6.396 -6.763 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.499 6.217 -5.972 1.00 24.16 H new ATOM 622 N GLN A 40 -10.150 4.388 -3.173 1.00 11.60 N ATOM 623 CA GLN A 40 -10.802 4.107 -1.897 1.00 10.76 C ATOM 624 C GLN A 40 -9.838 3.534 -0.872 1.00 8.01 C ATOM 625 O GLN A 40 -10.012 3.701 0.322 1.00 8.96 O ATOM 626 CB GLN A 40 -12.049 3.158 -2.043 1.00 11.14 C ATOM 627 CG GLN A 40 -13.269 3.686 -2.825 1.00 14.85 C ATOM 628 CD GLN A 40 -14.410 2.709 -2.978 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.338 1.606 -2.433 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.393 3.068 -3.810 1.00 18.16 N ATOM 0 H GLN A 40 -9.967 3.561 -3.742 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.156 5.074 -1.539 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.715 2.239 -2.524 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.384 2.890 -1.041 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.642 4.579 -2.324 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.939 3.992 -3.818 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.393 3.998 -4.228 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.143 2.412 -4.027 1.00 18.16 H new ATOM 639 N GLN A 41 -8.805 2.840 -1.335 1.00 6.52 N ATOM 640 CA GLN A 41 -7.692 2.400 -0.621 1.00 3.87 C ATOM 641 C GLN A 41 -6.776 3.541 -0.139 1.00 4.79 C ATOM 642 O GLN A 41 -6.377 4.437 -0.898 1.00 6.34 O ATOM 643 CB GLN A 41 -6.805 1.387 -1.510 1.00 4.20 C ATOM 644 CG GLN A 41 -7.306 0.058 -2.077 1.00 3.20 C ATOM 645 CD GLN A 41 -6.194 -0.680 -2.716 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.059 -0.747 -2.200 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.447 -1.141 -3.973 1.00 7.13 N ATOM 0 H GLN A 41 -8.756 2.564 -2.316 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.097 1.898 0.258 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.454 1.965 -2.365 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.929 1.146 -0.907 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.740 -0.545 -1.279 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.096 0.240 -2.805 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.387 -1.070 -4.363 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.696 -1.557 -4.524 1.00 7.13 H new ATOM 656 N ARG A 42 -6.287 3.358 1.135 1.00 5.73 N ATOM 657 CA ARG A 42 -5.137 4.122 1.705 1.00 6.97 C ATOM 658 C ARG A 42 -4.183 3.232 2.511 1.00 7.15 C ATOM 659 O ARG A 42 -4.675 2.324 3.171 1.00 7.33 O ATOM 660 CB ARG A 42 -5.500 5.248 2.734 1.00 13.23 C ATOM 661 CG ARG A 42 -6.234 6.473 2.196 1.00 21.27 C ATOM 662 CD ARG A 42 -6.570 7.368 3.417 1.00 26.14 C ATOM 663 NE ARG A 42 -7.072 8.685 2.859 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.014 9.433 3.468 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.663 9.075 4.542 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.191 10.623 2.910 1.00 36.39 N ATOM 0 H ARG A 42 -6.682 2.679 1.785 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.707 4.546 0.798 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.113 4.804 3.518 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.577 5.587 3.204 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.613 7.012 1.481 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.143 6.179 1.671 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.327 6.899 4.045 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.689 7.521 4.040 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.678 9.022 1.980 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.470 8.173 4.978 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.363 9.697 4.946 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.637 10.893 2.097 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.881 11.269 3.294 1.00 36.39 H new ATOM 680 N LEU A 43 -2.884 3.441 2.491 1.00 4.65 N ATOM 681 CA LEU A 43 -1.920 2.576 3.063 1.00 3.51 C ATOM 682 C LEU A 43 -1.226 3.309 4.261 1.00 5.56 C ATOM 683 O LEU A 43 -0.990 4.495 4.241 1.00 4.19 O ATOM 684 CB LEU A 43 -0.827 2.077 2.016 1.00 3.74 C ATOM 685 CG LEU A 43 -1.427 1.275 0.850 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.338 0.604 0.004 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.527 0.232 1.125 1.00 6.41 C ATOM 0 H LEU A 43 -2.470 4.262 2.050 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.442 1.684 3.408 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.294 2.940 1.618 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.093 1.459 2.533 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.950 2.077 0.329 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.801 0.047 -0.810 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.324 1.366 -0.408 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.239 -0.078 0.628 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.829 -0.234 0.187 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.144 -0.531 1.802 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.388 0.722 1.580 1.00 6.41 H new ATOM 699 N ILE A 44 -0.984 2.536 5.327 1.00 4.58 N ATOM 700 CA ILE A 44 -0.391 2.888 6.647 1.00 5.55 C ATOM 701 C ILE A 44 0.852 2.117 6.828 1.00 5.46 C ATOM 702 O ILE A 44 0.859 0.886 6.696 1.00 6.04 O ATOM 703 CB ILE A 44 -1.358 2.677 7.831 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.789 3.212 7.525 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.764 3.382 9.042 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.992 4.689 7.200 1.00 13.90 C ATOM 0 H ILE A 44 -1.219 1.544 5.295 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.175 3.956 6.643 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.469 1.609 8.021 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.178 2.637 6.684 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.414 2.980 8.387 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.425 3.252 9.899 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.213 2.955 9.269 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.654 4.445 8.827 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.049 4.879 7.015 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.656 5.296 8.041 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.416 4.949 6.312 1.00 13.90 H new ATOM 718 N PHE A 45 2.004 2.766 7.205 1.00 6.75 N ATOM 719 CA PHE A 45 3.092 1.985 7.580 1.00 4.70 C ATOM 720 C PHE A 45 3.768 2.808 8.636 1.00 6.34 C ATOM 721 O PHE A 45 3.941 4.047 8.459 1.00 5.45 O ATOM 722 CB PHE A 45 4.000 1.854 6.397 1.00 5.51 C ATOM 723 CG PHE A 45 5.352 1.345 6.706 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.498 0.074 7.225 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.534 2.046 6.309 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.813 -0.457 7.499 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.832 1.502 6.587 1.00 6.64 C ATOM 728 CZ PHE A 45 7.966 0.268 7.108 1.00 6.84 C ATOM 0 H PHE A 45 2.140 3.776 7.237 1.00 6.75 H new ATOM 0 HA PHE A 45 2.824 0.987 7.927 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.534 1.188 5.671 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.095 2.829 5.920 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.624 -0.527 7.427 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.449 2.992 5.796 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.918 -1.407 8.002 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.713 2.090 6.376 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.947 -0.167 7.227 1.00 6.84 H new ATOM 738 N ALA A 46 4.119 2.323 9.809 1.00 6.53 N ATOM 739 CA ALA A 46 4.851 3.024 10.824 1.00 7.15 C ATOM 740 C ALA A 46 4.154 4.305 11.298 1.00 9.00 C ATOM 741 O ALA A 46 4.777 5.332 11.345 1.00 11.15 O ATOM 742 CB ALA A 46 6.384 3.265 10.418 1.00 8.99 C ATOM 0 H ALA A 46 3.883 1.371 10.088 1.00 6.53 H new ATOM 0 HA ALA A 46 4.863 2.363 11.691 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.893 3.799 11.220 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.872 2.304 10.255 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.430 3.855 9.503 1.00 8.99 H new ATOM 748 N GLY A 47 2.816 4.198 11.535 1.00 9.35 N ATOM 749 CA GLY A 47 1.949 5.302 11.886 1.00 11.68 C ATOM 750 C GLY A 47 1.639 6.280 10.778 1.00 11.14 C ATOM 751 O GLY A 47 0.895 7.197 11.016 1.00 13.93 O ATOM 0 H GLY A 47 2.322 3.307 11.479 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.009 4.895 12.258 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.407 5.850 12.709 1.00 11.68 H new ATOM 755 N LYS A 48 2.182 6.134 9.595 1.00 10.47 N ATOM 756 CA LYS A 48 2.120 7.191 8.592 1.00 8.82 C ATOM 757 C LYS A 48 1.240 6.825 7.461 1.00 7.68 C ATOM 758 O LYS A 48 1.242 5.736 6.912 1.00 6.47 O ATOM 759 CB LYS A 48 3.522 7.425 7.887 1.00 9.74 C ATOM 760 CG LYS A 48 4.752 7.649 8.845 1.00 14.14 C ATOM 761 CD LYS A 48 4.607 8.831 9.842 1.00 16.32 C ATOM 762 CE LYS A 48 5.772 8.823 10.846 1.00 20.04 C ATOM 763 NZ LYS A 48 5.518 7.737 11.813 1.00 23.92 N ATOM 0 H LYS A 48 2.676 5.294 9.293 1.00 10.47 H new ATOM 0 HA LYS A 48 1.770 8.063 9.144 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.734 6.565 7.252 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.436 8.292 7.231 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.921 6.734 9.413 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.641 7.815 8.236 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.592 9.776 9.298 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.658 8.754 10.373 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.720 8.664 10.332 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.844 9.783 11.358 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.224 7.779 12.575 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 4.566 7.847 12.217 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.585 6.819 11.329 1.00 23.92 H new ATOM 777 N GLN A 49 0.427 7.799 6.958 1.00 8.89 N ATOM 778 CA GLN A 49 -0.541 7.562 5.961 1.00 7.18 C ATOM 779 C GLN A 49 0.159 7.867 4.646 1.00 8.23 C ATOM 780 O GLN A 49 0.646 8.943 4.346 1.00 9.70 O ATOM 781 CB GLN A 49 -1.728 8.496 6.278 1.00 11.67 C ATOM 782 CG GLN A 49 -3.009 8.159 5.490 1.00 15.82 C ATOM 783 CD GLN A 49 -4.189 8.989 5.852 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.249 8.464 6.301 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.027 10.322 5.887 1.00 20.67 N ATOM 0 H GLN A 49 0.463 8.770 7.269 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.935 6.547 5.911 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.944 8.445 7.345 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.438 9.524 6.061 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.808 8.279 4.425 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.255 7.109 5.652 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.171 10.741 5.524 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.760 10.915 6.277 1.00 20.67 H new ATOM 794 N LEU A 50 0.395 6.792 3.886 1.00 6.51 N ATOM 795 CA LEU A 50 1.282 6.937 2.668 1.00 7.41 C ATOM 796 C LEU A 50 0.585 7.544 1.529 1.00 8.27 C ATOM 797 O LEU A 50 -0.503 7.154 1.124 1.00 8.34 O ATOM 798 CB LEU A 50 1.922 5.587 2.280 1.00 7.13 C ATOM 799 CG LEU A 50 2.598 4.776 3.380 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.128 3.497 2.742 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.609 5.513 4.228 1.00 9.11 C ATOM 0 H LEU A 50 0.023 5.857 4.054 1.00 6.51 H new ATOM 0 HA LEU A 50 2.081 7.625 2.944 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.146 4.965 1.835 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.662 5.779 1.503 1.00 7.13 H new ATOM 0 HG LEU A 50 1.849 4.540 4.136 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.620 2.889 3.501 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.300 2.936 2.308 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.844 3.750 1.960 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.022 4.834 4.974 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.413 5.887 3.594 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.123 6.350 4.728 1.00 9.11 H new ATOM 813 N GLU A 51 1.286 8.521 0.866 1.00 9.43 N ATOM 814 CA GLU A 51 0.949 9.264 -0.343 1.00 11.90 C ATOM 815 C GLU A 51 1.219 8.573 -1.653 1.00 11.49 C ATOM 816 O GLU A 51 2.357 8.195 -1.914 1.00 9.88 O ATOM 817 CB GLU A 51 1.681 10.622 -0.303 1.00 16.56 C ATOM 818 CG GLU A 51 1.277 11.475 0.867 1.00 26.06 C ATOM 819 CD GLU A 51 1.970 12.813 0.859 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.181 12.836 1.235 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.312 13.833 0.673 1.00 33.44 O ATOM 0 H GLU A 51 2.193 8.820 1.224 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.135 9.372 -0.324 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.756 10.447 -0.264 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.480 11.164 -1.227 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.198 11.626 0.849 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.510 10.952 1.794 1.00 26.06 H new ATOM 828 N ASP A 52 0.157 8.410 -2.352 1.00 12.71 N ATOM 829 CA ASP A 52 0.067 7.883 -3.753 1.00 16.56 C ATOM 830 C ASP A 52 1.255 8.158 -4.688 1.00 15.83 C ATOM 831 O ASP A 52 1.729 7.209 -5.248 1.00 17.21 O ATOM 832 CB ASP A 52 -1.258 8.436 -4.343 1.00 21.05 C ATOM 833 CG ASP A 52 -2.464 8.115 -3.473 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.505 8.377 -2.243 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.329 7.375 -4.029 1.00 28.37 O ATOM 0 H ASP A 52 -0.762 8.644 -1.976 1.00 12.71 H new ATOM 0 HA ASP A 52 0.092 6.795 -3.686 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.176 9.517 -4.460 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.411 8.018 -5.338 1.00 21.05 H new ATOM 840 N GLY A 53 1.751 9.416 -4.843 1.00 15.00 N ATOM 841 CA GLY A 53 2.793 9.859 -5.741 1.00 11.77 C ATOM 842 C GLY A 53 4.215 9.539 -5.284 1.00 11.10 C ATOM 843 O GLY A 53 5.173 9.736 -6.053 1.00 11.25 O ATOM 0 H GLY A 53 1.387 10.190 -4.287 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.629 9.403 -6.717 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.704 10.937 -5.874 1.00 11.77 H new ATOM 847 N ARG A 54 4.411 9.080 -4.075 1.00 8.53 N ATOM 848 CA ARG A 54 5.684 8.825 -3.525 1.00 9.05 C ATOM 849 C ARG A 54 6.147 7.500 -3.827 1.00 8.96 C ATOM 850 O ARG A 54 5.361 6.544 -3.935 1.00 11.60 O ATOM 851 CB ARG A 54 5.871 9.021 -2.029 1.00 7.97 C ATOM 852 CG ARG A 54 5.848 10.535 -1.653 1.00 9.62 C ATOM 853 CD ARG A 54 5.969 10.750 -0.182 1.00 12.20 C ATOM 854 NE ARG A 54 5.702 12.236 0.103 1.00 18.23 N ATOM 855 CZ ARG A 54 6.547 13.227 -0.185 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.862 13.040 -0.348 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.103 14.480 -0.149 1.00 23.38 N ATOM 0 H ARG A 54 3.646 8.871 -3.434 1.00 8.53 H new ATOM 0 HA ARG A 54 6.267 9.606 -4.014 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.082 8.497 -1.489 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.818 8.580 -1.717 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.665 11.047 -2.162 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.920 10.982 -2.009 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.256 10.125 0.355 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.963 10.468 0.164 1.00 12.20 H new ATOM 0 HE ARG A 54 4.816 12.482 0.544 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.260 12.106 -0.253 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.466 13.832 -0.568 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.131 14.670 0.096 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.734 15.251 -0.366 1.00 23.38 H new ATOM 871 N THR A 55 7.493 7.335 -3.861 1.00 9.05 N ATOM 872 CA THR A 55 8.030 6.006 -4.071 1.00 9.03 C ATOM 873 C THR A 55 8.231 5.225 -2.785 1.00 8.15 C ATOM 874 O THR A 55 8.348 5.858 -1.712 1.00 5.91 O ATOM 875 CB THR A 55 9.413 5.907 -4.827 1.00 11.15 C ATOM 876 OG1 THR A 55 10.367 6.625 -4.057 1.00 11.95 O ATOM 877 CG2 THR A 55 9.241 6.627 -6.186 1.00 11.71 C ATOM 0 H THR A 55 8.182 8.079 -3.750 1.00 9.05 H new ATOM 0 HA THR A 55 7.246 5.588 -4.702 1.00 9.03 H new ATOM 0 HB THR A 55 9.728 4.873 -4.970 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.226 6.154 -4.079 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.177 6.582 -6.743 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.454 6.138 -6.760 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.971 7.669 -6.014 1.00 11.71 H new ATOM 885 N LEU A 56 8.346 3.876 -2.854 1.00 6.91 N ATOM 886 CA LEU A 56 8.833 3.082 -1.762 1.00 8.29 C ATOM 887 C LEU A 56 10.225 3.534 -1.244 1.00 8.05 C ATOM 888 O LEU A 56 10.499 3.706 -0.066 1.00 10.17 O ATOM 889 CB LEU A 56 8.817 1.605 -2.162 1.00 6.60 C ATOM 890 CG LEU A 56 7.453 0.881 -1.916 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.210 1.709 -2.417 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.510 -0.548 -2.538 1.00 8.64 C ATOM 0 H LEU A 56 8.097 3.333 -3.681 1.00 6.91 H new ATOM 0 HA LEU A 56 8.161 3.230 -0.916 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.071 1.525 -3.219 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.596 1.083 -1.607 1.00 6.60 H new ATOM 0 HG LEU A 56 7.306 0.792 -0.840 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.296 1.150 -2.216 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.174 2.664 -1.893 1.00 9.85 H new ATOM 0 HD13 LEU A 56 6.299 1.886 -3.489 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.561 -1.057 -2.369 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.695 -0.471 -3.610 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.314 -1.116 -2.071 1.00 8.64 H new ATOM 904 N SER A 57 11.145 3.829 -2.166 1.00 8.92 N ATOM 905 CA SER A 57 12.498 4.396 -1.906 1.00 9.00 C ATOM 906 C SER A 57 12.608 5.728 -1.231 1.00 9.44 C ATOM 907 O SER A 57 13.480 5.895 -0.388 1.00 10.91 O ATOM 908 CB SER A 57 13.409 4.486 -3.147 1.00 10.32 C ATOM 909 OG SER A 57 12.829 5.334 -4.090 1.00 13.59 O ATOM 0 H SER A 57 10.974 3.678 -3.160 1.00 8.92 H new ATOM 0 HA SER A 57 12.825 3.635 -1.197 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.393 4.860 -2.863 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.556 3.495 -3.576 1.00 10.32 H new ATOM 0 HG SER A 57 13.409 5.392 -4.878 1.00 13.59 H new ATOM 915 N ASP A 58 11.634 6.689 -1.431 1.00 9.11 N ATOM 916 CA ASP A 58 11.465 7.957 -0.659 1.00 7.91 C ATOM 917 C ASP A 58 11.008 7.647 0.780 1.00 9.12 C ATOM 918 O ASP A 58 11.533 8.175 1.734 1.00 8.61 O ATOM 919 CB ASP A 58 10.404 8.748 -1.376 1.00 8.41 C ATOM 920 CG ASP A 58 10.525 10.152 -0.876 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.617 10.726 -0.784 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.452 10.771 -0.564 1.00 11.70 O ATOM 0 H ASP A 58 10.928 6.587 -2.160 1.00 9.11 H new ATOM 0 HA ASP A 58 12.402 8.510 -0.596 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.548 8.705 -2.456 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.412 8.345 -1.171 1.00 8.41 H new ATOM 927 N TYR A 59 10.013 6.703 0.972 1.00 7.97 N ATOM 928 CA TYR A 59 9.575 6.365 2.310 1.00 8.45 C ATOM 929 C TYR A 59 10.561 5.528 3.078 1.00 10.98 C ATOM 930 O TYR A 59 10.539 5.528 4.330 1.00 12.95 O ATOM 931 CB TYR A 59 8.217 5.592 2.472 1.00 7.94 C ATOM 932 CG TYR A 59 7.092 6.640 2.292 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.803 7.558 3.350 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.345 6.640 1.118 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.723 8.445 3.241 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.195 7.376 1.115 1.00 6.52 C ATOM 937 CZ TYR A 59 4.817 8.275 2.163 1.00 6.76 C ATOM 938 OH TYR A 59 3.753 9.209 1.947 1.00 7.63 O ATOM 0 H TYR A 59 9.538 6.200 0.222 1.00 7.97 H new ATOM 0 HA TYR A 59 9.459 7.378 2.696 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.131 4.799 1.729 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.154 5.119 3.452 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.419 7.568 4.237 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.661 6.083 0.248 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.584 9.239 3.960 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.530 7.274 0.270 1.00 6.52 H new ATOM 0 HH TYR A 59 4.027 10.095 2.263 1.00 7.63 H new ATOM 948 N ASN A 60 11.435 4.776 2.367 1.00 12.38 N ATOM 949 CA ASN A 60 12.445 3.942 2.936 1.00 13.94 C ATOM 950 C ASN A 60 11.839 2.535 3.199 1.00 14.16 C ATOM 951 O ASN A 60 12.201 1.876 4.197 1.00 14.26 O ATOM 952 CB ASN A 60 13.374 4.597 4.027 1.00 19.23 C ATOM 953 CG ASN A 60 13.816 6.027 3.631 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.731 6.924 4.496 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.189 6.330 2.333 1.00 24.09 N ATOM 0 H ASN A 60 11.431 4.754 1.347 1.00 12.38 H new ATOM 0 HA ASN A 60 13.243 3.793 2.208 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.845 4.632 4.980 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.255 3.973 4.174 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.398 7.294 2.074 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.255 5.589 1.635 1.00 24.09 H new ATOM 962 N ILE A 61 10.884 2.074 2.301 1.00 11.08 N ATOM 963 CA ILE A 61 10.339 0.720 2.405 1.00 11.78 C ATOM 964 C ILE A 61 11.350 -0.235 1.763 1.00 13.74 C ATOM 965 O ILE A 61 11.677 -0.058 0.565 1.00 14.60 O ATOM 966 CB ILE A 61 8.939 0.697 1.836 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.009 1.536 2.755 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.474 -0.732 1.675 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.674 1.975 2.103 1.00 11.42 C ATOM 0 H ILE A 61 10.507 2.627 1.531 1.00 11.08 H new ATOM 0 HA ILE A 61 10.213 0.380 3.433 1.00 11.78 H new ATOM 0 HB ILE A 61 8.916 1.147 0.843 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.786 0.955 3.650 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.549 2.426 3.079 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.464 -0.742 1.265 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.146 -1.259 0.998 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.476 -1.227 2.646 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.092 2.555 2.820 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.882 2.587 1.225 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.107 1.093 1.805 1.00 11.42 H new ATOM 981 N GLN A 62 11.960 -1.106 2.598 1.00 13.97 N ATOM 982 CA GLN A 62 13.023 -1.996 2.229 1.00 15.52 C ATOM 983 C GLN A 62 12.578 -3.459 2.327 1.00 13.94 C ATOM 984 O GLN A 62 11.426 -3.696 2.789 1.00 12.15 O ATOM 985 CB GLN A 62 14.202 -1.903 3.198 1.00 19.53 C ATOM 986 CG GLN A 62 14.716 -0.459 3.495 1.00 26.38 C ATOM 987 CD GLN A 62 15.213 0.293 2.240 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.682 1.258 1.722 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.375 -0.171 1.750 1.00 32.71 N ATOM 0 H GLN A 62 11.697 -1.192 3.580 1.00 13.97 H new ATOM 0 HA GLN A 62 13.299 -1.706 1.215 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.913 -2.368 4.140 1.00 19.53 H new ATOM 0 HB3 GLN A 62 15.028 -2.488 2.795 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.913 0.115 3.958 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.528 -0.514 4.220 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.824 -0.979 2.181 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.808 0.285 0.947 1.00 32.71 H new ATOM 998 N LYS A 63 13.306 -4.435 1.848 1.00 11.73 N ATOM 999 CA LYS A 63 12.980 -5.830 1.779 1.00 11.97 C ATOM 1000 C LYS A 63 12.146 -6.448 2.897 1.00 10.41 C ATOM 1001 O LYS A 63 12.329 -6.256 4.082 1.00 9.59 O ATOM 1002 CB LYS A 63 14.338 -6.661 1.633 1.00 13.73 C ATOM 1003 CG LYS A 63 15.286 -6.407 2.804 1.00 16.98 C ATOM 1004 CD LYS A 63 16.473 -7.437 2.640 1.00 20.19 C ATOM 1005 CE LYS A 63 16.140 -8.834 3.192 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.941 -8.871 4.642 1.00 25.97 N ATOM 0 H LYS A 63 14.231 -4.251 1.460 1.00 11.73 H new ATOM 0 HA LYS A 63 12.317 -5.890 0.916 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.109 -7.725 1.575 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.832 -6.390 0.700 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.655 -5.382 2.791 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.775 -6.549 3.756 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.729 -7.522 1.584 1.00 20.19 H new ATOM 0 HD3 LYS A 63 17.354 -7.051 3.152 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.238 -9.201 2.703 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.946 -9.519 2.929 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.890 -9.860 4.960 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.737 -8.396 5.114 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.055 -8.383 4.883 1.00 25.97 H new ATOM 1020 N GLU A 64 11.079 -7.250 2.519 1.00 10.04 N ATOM 1021 CA GLU A 64 10.222 -8.019 3.396 1.00 10.94 C ATOM 1022 C GLU A 64 9.553 -7.097 4.457 1.00 9.74 C ATOM 1023 O GLU A 64 9.602 -7.281 5.672 1.00 9.42 O ATOM 1024 CB GLU A 64 11.002 -9.236 4.028 1.00 18.31 C ATOM 1025 CG GLU A 64 11.398 -10.328 3.005 1.00 24.16 C ATOM 1026 CD GLU A 64 12.125 -11.480 3.584 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.968 -11.890 4.769 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.827 -12.121 2.746 1.00 31.72 O ATOM 0 H GLU A 64 10.815 -7.355 1.539 1.00 10.04 H new ATOM 0 HA GLU A 64 9.413 -8.453 2.809 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.904 -8.864 4.514 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.384 -9.687 4.805 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.495 -10.694 2.516 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.018 -9.875 2.232 1.00 24.16 H new ATOM 1035 N SER A 65 8.798 -6.068 3.979 1.00 6.85 N ATOM 1036 CA SER A 65 8.182 -4.964 4.756 1.00 6.90 C ATOM 1037 C SER A 65 6.702 -5.154 4.880 1.00 4.72 C ATOM 1038 O SER A 65 6.076 -5.608 3.912 1.00 3.91 O ATOM 1039 CB SER A 65 8.498 -3.521 4.284 1.00 7.28 C ATOM 1040 OG SER A 65 8.221 -2.536 5.269 1.00 10.56 O ATOM 0 H SER A 65 8.594 -5.986 2.983 1.00 6.85 H new ATOM 0 HA SER A 65 8.665 -5.042 5.730 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.550 -3.460 4.004 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.916 -3.303 3.388 1.00 7.28 H new ATOM 0 HG SER A 65 8.441 -1.649 4.915 1.00 10.56 H new ATOM 1046 N THR A 66 6.094 -4.927 6.028 1.00 4.48 N ATOM 1047 CA THR A 66 4.683 -5.164 6.281 1.00 3.80 C ATOM 1048 C THR A 66 4.035 -3.821 6.305 1.00 4.60 C ATOM 1049 O THR A 66 4.450 -2.994 7.096 1.00 5.33 O ATOM 1050 CB THR A 66 4.467 -5.932 7.652 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.069 -7.220 7.709 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.962 -6.086 7.790 1.00 3.40 C ATOM 0 H THR A 66 6.586 -4.559 6.842 1.00 4.48 H new ATOM 0 HA THR A 66 4.245 -5.797 5.509 1.00 3.80 H new ATOM 0 HB THR A 66 4.938 -5.362 8.453 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.892 -7.625 8.583 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.733 -6.610 8.718 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.495 -5.101 7.805 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.576 -6.657 6.946 1.00 3.40 H new ATOM 1060 N LEU A 67 3.067 -3.538 5.436 1.00 4.17 N ATOM 1061 CA LEU A 67 2.360 -2.346 5.362 1.00 3.85 C ATOM 1062 C LEU A 67 0.923 -2.626 5.738 1.00 3.80 C ATOM 1063 O LEU A 67 0.516 -3.808 5.783 1.00 5.54 O ATOM 1064 CB LEU A 67 2.274 -1.644 3.933 1.00 7.18 C ATOM 1065 CG LEU A 67 3.578 -1.708 3.081 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.407 -0.876 1.773 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.779 -1.051 3.859 1.00 11.66 C ATOM 0 H LEU A 67 2.765 -4.212 4.732 1.00 4.17 H new ATOM 0 HA LEU A 67 2.910 -1.675 6.022 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.466 -2.107 3.367 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.004 -0.598 4.076 1.00 7.18 H new ATOM 0 HG LEU A 67 3.772 -2.759 2.867 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.324 -0.928 1.186 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.580 -1.281 1.190 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.198 0.163 2.027 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.681 -1.105 3.249 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.547 -0.008 4.072 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.942 -1.585 4.795 1.00 11.66 H new ATOM 1079 N HIS A 68 0.154 -1.599 6.150 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.278 -1.855 6.539 1.00 4.17 C ATOM 1081 C HIS A 68 -2.225 -1.233 5.483 1.00 5.32 C ATOM 1082 O HIS A 68 -1.900 -0.193 4.921 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.668 -1.105 7.907 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.571 -1.935 9.170 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -2.545 -2.767 9.705 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.522 -1.983 10.012 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -2.105 -3.186 10.894 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.854 -2.792 11.063 1.00 16.30 N ATOM 0 H HIS A 68 0.462 -0.630 6.226 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.379 -2.936 6.632 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.022 -0.234 8.018 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.689 -0.735 7.817 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.420 -1.471 9.880 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -2.681 -3.758 11.607 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.244 -3.047 11.840 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.435 -1.775 5.192 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.338 -1.210 4.199 1.00 3.97 C ATOM 1098 C LEU A 69 -5.584 -0.795 4.949 1.00 5.07 C ATOM 1099 O LEU A 69 -6.178 -1.593 5.678 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.480 -2.255 3.066 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.881 -2.331 2.390 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.315 -1.107 1.556 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.963 -3.655 1.593 1.00 9.96 C ATOM 0 H LEU A 69 -3.796 -2.614 5.647 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.000 -0.308 3.689 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.738 -2.035 2.299 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.238 -3.238 3.471 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.615 -2.313 3.196 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -7.307 -1.284 1.139 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -6.342 -0.223 2.194 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.604 -0.948 0.745 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.938 -3.729 1.110 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.180 -3.672 0.835 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.829 -4.497 2.272 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.046 0.454 4.797 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.312 1.034 5.355 1.00 6.26 C ATOM 1117 C VAL A 70 -8.087 1.723 4.194 1.00 9.22 C ATOM 1118 O VAL A 70 -7.647 1.777 3.048 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.066 1.991 6.507 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.257 1.331 7.673 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.325 3.258 6.061 1.00 8.54 C ATOM 0 H VAL A 70 -5.527 1.142 4.251 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.910 0.226 5.777 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.059 2.259 6.868 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.109 2.059 8.471 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.810 0.475 8.061 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.288 0.999 7.301 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.172 3.912 6.920 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.359 2.984 5.637 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.917 3.780 5.309 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.316 2.174 4.472 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.231 2.682 3.417 1.00 16.06 C ATOM 1133 C LEU A 71 -10.619 4.108 3.686 1.00 18.09 C ATOM 1134 O LEU A 71 -10.701 4.509 4.827 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.527 1.797 3.327 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.356 0.414 2.683 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.652 -0.405 2.785 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.910 0.404 1.218 1.00 19.57 C ATOM 0 H LEU A 71 -9.708 2.202 5.413 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.698 2.631 2.468 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.920 1.660 4.334 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.280 2.347 2.763 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.543 -0.028 3.259 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.504 -1.380 2.321 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.916 -0.538 3.834 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.457 0.122 2.272 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.823 -0.626 0.871 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.646 0.931 0.610 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.943 0.900 1.129 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.845 4.867 2.564 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.464 6.185 2.595 1.00 25.83 C ATOM 1152 C ARG A 72 -12.935 5.992 2.306 1.00 27.74 C ATOM 1153 O ARG A 72 -13.308 5.408 1.246 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.806 7.057 1.430 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.397 8.489 1.260 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.341 9.315 0.532 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.677 10.703 0.807 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.261 11.686 0.042 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.550 11.535 -1.046 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.544 12.935 0.350 1.00 35.02 N ATOM 0 H ARG A 72 -10.593 4.558 1.625 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.325 6.681 3.556 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.736 7.143 1.622 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.919 6.520 0.488 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.326 8.459 0.690 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.632 8.929 2.229 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.340 9.075 0.890 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.354 9.113 -0.539 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.254 10.920 1.620 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.280 10.601 -1.353 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.265 12.352 -1.587 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.089 13.143 1.187 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.218 13.694 -0.248 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.764 6.583 3.158 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.193 6.550 3.014 1.00 30.76 C ATOM 1176 C LEU A 73 -15.671 7.909 2.733 1.00 32.18 C ATOM 1177 O LEU A 73 -15.068 8.869 3.281 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.909 6.104 4.348 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.441 4.778 5.057 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.025 4.583 6.413 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.672 3.528 4.135 1.00 29.11 C ATOM 0 H LEU A 73 -13.446 7.103 3.976 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.421 5.844 2.215 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.803 6.917 5.066 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.973 6.005 4.134 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.369 4.887 5.220 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.656 3.649 6.837 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.735 5.413 7.057 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.112 4.544 6.339 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.339 2.628 4.652 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.733 3.440 3.900 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.105 3.647 3.212 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.610 8.120 1.808 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.243 9.413 1.366 1.00 35.33 C ATOM 1195 C ARG A 74 -17.516 10.423 2.477 1.00 36.22 C ATOM 1196 O ARG A 74 -17.930 10.085 3.580 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.403 9.212 0.430 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.032 8.449 -0.856 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.870 8.956 -1.693 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.873 8.211 -2.981 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.307 8.673 -4.084 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -15.722 9.848 -4.212 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.373 7.903 -5.174 1.00 41.93 N ATOM 0 H ARG A 74 -16.998 7.333 1.288 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.464 9.899 0.779 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.190 8.667 0.952 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.814 10.185 0.160 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.814 7.418 -0.578 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.915 8.427 -1.494 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.967 10.027 -1.872 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.927 8.805 -1.167 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.333 7.301 -3.015 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -15.680 10.486 -3.417 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.311 10.119 -5.106 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.846 7.000 -5.133 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.951 8.218 -6.047 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.240 11.750 2.298 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.321 12.608 3.524 1.00 36.07 C ATOM 1219 C GLY A 75 -16.016 12.648 4.302 1.00 36.16 C ATOM 1220 O GLY A 75 -16.008 12.792 5.508 1.00 36.26 O ATOM 0 H GLY A 75 -16.987 12.211 1.424 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.597 13.622 3.235 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.114 12.234 4.172 1.00 36.07 H new ATOM 1224 N GLY A 76 -14.859 12.592 3.578 1.00 36.05 N ATOM 1225 CA GLY A 76 -13.604 12.855 4.221 1.00 36.19 C ATOM 1226 C GLY A 76 -12.461 12.583 3.180 1.00 36.20 C ATOM 1227 O GLY A 76 -11.846 13.615 2.701 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.144 11.404 2.864 1.00 0.00 O ATOM 0 H GLY A 76 -14.802 12.372 2.584 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -13.564 13.887 4.571 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.483 12.217 5.096 1.00 36.19 H new TER 1232 GLY A 76