USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 0 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 31 SER OG : rot -65:sc= -0.253 USER MOD Set 1.2: A 39 ASN : amide:sc= -9.11! C(o=-9.4!,f=-13!) USER MOD Single : A 1 LYS N :NH3+ -165:sc= -0.0184 (180deg=-0.278) USER MOD Single : A 1 LYS NZ :NH3+ 163:sc=-0.000498 (180deg=-0.208) USER MOD Single : A 2 ASN : amide:sc=-0.00305 K(o=-0.0031,f=-1.7!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 7 MET CE :methyl -125:sc= -5.27! (180deg=-8.01!) USER MOD Single : A 9 HIS : no HD1:sc= -2.35! C(o=-2.3!,f=-5.4!) USER MOD Single : A 12 GLN : amide:sc= -5.22! C(o=-5.2!,f=-7.5!) USER MOD Single : A 15 MET CE :methyl -160:sc= -0.231 (180deg=-0.484) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0068 K(o=-0.0068,f=-0.52) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 144:sc= -0.468 (180deg=-1.91!) USER MOD Single : A 43 THR OG1 : rot -79:sc= 0.227 USER MOD Single : A 45 LYS NZ :NH3+ -166:sc=-0.000766 (180deg=-0.27) USER MOD Single : A 46 MET CE :methyl -154:sc= -0.18 (180deg=-1.17) USER MOD Single : A 50 LYS NZ :NH3+ 157:sc= -0.672 (180deg=-2.25) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -9.726 14.892 4.184 1.00 0.00 N ATOM 2 CA LYS A 1 -8.332 15.030 3.674 1.00 0.00 C ATOM 3 C LYS A 1 -8.318 14.800 2.161 1.00 0.00 C ATOM 4 O LYS A 1 -8.017 15.689 1.390 1.00 0.00 O ATOM 5 CB LYS A 1 -7.434 13.997 4.356 1.00 0.00 C ATOM 6 CG LYS A 1 -7.345 14.307 5.851 1.00 0.00 C ATOM 7 CD LYS A 1 -6.343 13.357 6.511 1.00 0.00 C ATOM 8 CE LYS A 1 -6.350 13.579 8.025 1.00 0.00 C ATOM 9 NZ LYS A 1 -7.598 13.006 8.604 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.786 15.290 5.143 1.00 0.00 H new ATOM 0 H2 LYS A 1 -10.378 15.404 3.556 1.00 0.00 H new ATOM 0 H3 LYS A 1 -9.988 13.886 4.209 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.962 16.032 3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.835 12.995 4.205 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.439 14.013 3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.035 15.341 6.001 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.325 14.198 6.315 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.602 12.323 6.283 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -5.344 13.531 6.112 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.477 13.108 8.477 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -6.288 14.644 8.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -7.484 12.893 9.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -8.395 13.646 8.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -7.787 12.079 8.172 1.00 0.00 H new ATOM 10 N ASN A 2 -8.644 13.612 1.730 1.00 0.00 N ATOM 11 CA ASN A 2 -8.652 13.326 0.267 1.00 0.00 C ATOM 12 C ASN A 2 -10.096 13.183 -0.214 1.00 0.00 C ATOM 13 O ASN A 2 -10.864 12.410 0.324 1.00 0.00 O ATOM 14 CB ASN A 2 -7.890 12.027 -0.002 1.00 0.00 C ATOM 15 CG ASN A 2 -6.423 12.205 0.390 1.00 0.00 C ATOM 16 OD1 ASN A 2 -5.949 13.316 0.529 1.00 0.00 O ATOM 17 ND2 ASN A 2 -5.677 11.151 0.576 1.00 0.00 N ATOM 0 H ASN A 2 -8.905 12.827 2.327 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.171 14.145 -0.268 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -8.333 11.209 0.567 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -7.966 11.760 -1.056 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.697 11.259 0.838 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -6.074 10.218 0.460 1.00 0.00 H new ATOM 18 N GLU A 3 -10.473 13.923 -1.223 1.00 0.00 N ATOM 19 CA GLU A 3 -11.869 13.828 -1.736 1.00 0.00 C ATOM 20 C GLU A 3 -12.286 12.359 -1.808 1.00 0.00 C ATOM 21 O GLU A 3 -13.438 12.020 -1.628 1.00 0.00 O ATOM 22 CB GLU A 3 -11.941 14.448 -3.134 1.00 0.00 C ATOM 23 CG GLU A 3 -13.399 14.489 -3.598 1.00 0.00 C ATOM 24 CD GLU A 3 -13.460 15.010 -5.036 1.00 0.00 C ATOM 25 OE1 GLU A 3 -12.409 15.276 -5.595 1.00 0.00 O ATOM 26 OE2 GLU A 3 -14.559 15.135 -5.553 1.00 0.00 O ATOM 0 H GLU A 3 -9.875 14.588 -1.713 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.541 14.364 -1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.524 15.455 -3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.342 13.865 -3.833 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.838 13.493 -3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.983 15.133 -2.941 1.00 0.00 H new ATOM 27 N ASP A 4 -11.354 11.482 -2.066 1.00 0.00 N ATOM 28 CA ASP A 4 -11.696 10.034 -2.144 1.00 0.00 C ATOM 29 C ASP A 4 -12.323 9.590 -0.822 1.00 0.00 C ATOM 30 O ASP A 4 -13.197 8.746 -0.789 1.00 0.00 O ATOM 31 CB ASP A 4 -10.426 9.222 -2.403 1.00 0.00 C ATOM 32 CG ASP A 4 -9.813 9.646 -3.739 1.00 0.00 C ATOM 33 OD1 ASP A 4 -10.511 10.280 -4.514 1.00 0.00 O ATOM 34 OD2 ASP A 4 -8.657 9.329 -3.965 1.00 0.00 O ATOM 0 H ASP A 4 -10.372 11.706 -2.226 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.403 9.870 -2.957 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -9.710 9.379 -1.596 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.659 8.157 -2.419 1.00 0.00 H new ATOM 35 N GLN A 5 -11.886 10.157 0.267 1.00 0.00 N ATOM 36 CA GLN A 5 -12.457 9.772 1.589 1.00 0.00 C ATOM 37 C GLN A 5 -13.955 10.081 1.600 1.00 0.00 C ATOM 38 O GLN A 5 -14.740 9.370 2.195 1.00 0.00 O ATOM 39 CB GLN A 5 -11.764 10.570 2.696 1.00 0.00 C ATOM 40 CG GLN A 5 -12.208 10.038 4.061 1.00 0.00 C ATOM 41 CD GLN A 5 -11.621 10.918 5.166 1.00 0.00 C ATOM 42 OE1 GLN A 5 -11.891 12.102 5.224 1.00 0.00 O ATOM 43 NE2 GLN A 5 -10.824 10.387 6.052 1.00 0.00 N ATOM 0 H GLN A 5 -11.158 10.871 0.300 1.00 0.00 H new ATOM 0 HA GLN A 5 -12.301 8.707 1.759 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.682 10.488 2.596 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -12.013 11.628 2.607 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -13.296 10.033 4.125 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.876 9.007 4.187 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.597 9.394 6.004 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.428 10.965 6.793 1.00 0.00 H new ATOM 44 N GLU A 6 -14.356 11.135 0.944 1.00 0.00 N ATOM 45 CA GLU A 6 -15.803 11.487 0.914 1.00 0.00 C ATOM 46 C GLU A 6 -16.590 10.339 0.281 1.00 0.00 C ATOM 47 O GLU A 6 -17.675 10.005 0.714 1.00 0.00 O ATOM 48 CB GLU A 6 -16.000 12.760 0.088 1.00 0.00 C ATOM 49 CG GLU A 6 -15.312 13.933 0.788 1.00 0.00 C ATOM 50 CD GLU A 6 -15.601 15.225 0.019 1.00 0.00 C ATOM 51 OE1 GLU A 6 -16.147 15.134 -1.068 1.00 0.00 O ATOM 52 OE2 GLU A 6 -15.270 16.282 0.531 1.00 0.00 O ATOM 0 H GLU A 6 -13.744 11.767 0.428 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.160 11.656 1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.586 12.626 -0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.063 12.967 -0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.670 14.019 1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.237 13.760 0.839 1.00 0.00 H new ATOM 53 N MET A 7 -16.050 9.731 -0.740 1.00 0.00 N ATOM 54 CA MET A 7 -16.767 8.602 -1.397 1.00 0.00 C ATOM 55 C MET A 7 -17.048 7.513 -0.361 1.00 0.00 C ATOM 56 O MET A 7 -18.004 6.771 -0.469 1.00 0.00 O ATOM 57 CB MET A 7 -15.898 8.028 -2.518 1.00 0.00 C ATOM 58 CG MET A 7 -15.776 9.056 -3.645 1.00 0.00 C ATOM 59 SD MET A 7 -14.853 8.333 -5.024 1.00 0.00 S ATOM 60 CE MET A 7 -13.393 7.829 -4.081 1.00 0.00 C ATOM 0 H MET A 7 -15.145 9.967 -1.147 1.00 0.00 H new ATOM 0 HA MET A 7 -17.707 8.960 -1.816 1.00 0.00 H new ATOM 0 HB2 MET A 7 -14.910 7.775 -2.134 1.00 0.00 H new ATOM 0 HB3 MET A 7 -16.338 7.106 -2.898 1.00 0.00 H new ATOM 0 HG2 MET A 7 -16.767 9.365 -3.979 1.00 0.00 H new ATOM 0 HG3 MET A 7 -15.269 9.950 -3.283 1.00 0.00 H new ATOM 0 HE1 MET A 7 -12.500 8.258 -4.536 1.00 0.00 H new ATOM 0 HE2 MET A 7 -13.483 8.183 -3.054 1.00 0.00 H new ATOM 0 HE3 MET A 7 -13.315 6.742 -4.084 1.00 0.00 H new ATOM 61 N CYS A 8 -16.222 7.413 0.644 1.00 0.00 N ATOM 62 CA CYS A 8 -16.442 6.374 1.688 1.00 0.00 C ATOM 63 C CYS A 8 -17.639 6.774 2.550 1.00 0.00 C ATOM 64 O CYS A 8 -18.363 5.938 3.053 1.00 0.00 O ATOM 65 CB CYS A 8 -15.188 6.261 2.560 1.00 0.00 C ATOM 66 SG CYS A 8 -15.425 4.985 3.824 1.00 0.00 S ATOM 0 H CYS A 8 -15.404 8.006 0.787 1.00 0.00 H new ATOM 0 HA CYS A 8 -16.641 5.411 1.218 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -14.325 6.015 1.941 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -14.977 7.220 3.034 1.00 0.00 H new ATOM 67 N HIS A 9 -17.859 8.049 2.722 1.00 0.00 N ATOM 68 CA HIS A 9 -19.015 8.499 3.546 1.00 0.00 C ATOM 69 C HIS A 9 -20.276 7.762 3.088 1.00 0.00 C ATOM 70 O HIS A 9 -20.982 7.167 3.878 1.00 0.00 O ATOM 71 CB HIS A 9 -19.203 10.011 3.375 1.00 0.00 C ATOM 72 CG HIS A 9 -20.565 10.415 3.874 1.00 0.00 C ATOM 73 ND1 HIS A 9 -21.729 10.059 3.212 1.00 0.00 N ATOM 74 CD2 HIS A 9 -20.964 11.144 4.968 1.00 0.00 C ATOM 75 CE1 HIS A 9 -22.762 10.568 3.905 1.00 0.00 C ATOM 76 NE2 HIS A 9 -22.353 11.239 4.985 1.00 0.00 N ATOM 0 H HIS A 9 -17.289 8.797 2.328 1.00 0.00 H new ATOM 0 HA HIS A 9 -18.829 8.278 4.597 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -18.430 10.547 3.925 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.094 10.284 2.325 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -20.301 11.577 5.703 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.798 10.449 3.623 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -22.933 11.718 5.674 1.00 0.00 H new ATOM 77 N GLU A 10 -20.567 7.798 1.815 1.00 0.00 N ATOM 78 CA GLU A 10 -21.782 7.102 1.306 1.00 0.00 C ATOM 79 C GLU A 10 -21.777 5.647 1.782 1.00 0.00 C ATOM 80 O GLU A 10 -22.772 5.136 2.256 1.00 0.00 O ATOM 81 CB GLU A 10 -21.792 7.140 -0.223 1.00 0.00 C ATOM 82 CG GLU A 10 -21.939 8.587 -0.696 1.00 0.00 C ATOM 83 CD GLU A 10 -22.108 8.612 -2.218 1.00 0.00 C ATOM 84 OE1 GLU A 10 -21.973 7.563 -2.826 1.00 0.00 O ATOM 85 OE2 GLU A 10 -22.368 9.679 -2.748 1.00 0.00 O ATOM 0 H GLU A 10 -20.015 8.280 1.106 1.00 0.00 H new ATOM 0 HA GLU A 10 -22.672 7.604 1.686 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -20.870 6.710 -0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -22.614 6.535 -0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -22.800 9.052 -0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -21.062 9.166 -0.407 1.00 0.00 H new ATOM 86 N PHE A 11 -20.664 4.973 1.660 1.00 0.00 N ATOM 87 CA PHE A 11 -20.605 3.552 2.107 1.00 0.00 C ATOM 88 C PHE A 11 -20.646 3.499 3.635 1.00 0.00 C ATOM 89 O PHE A 11 -21.046 2.512 4.220 1.00 0.00 O ATOM 90 CB PHE A 11 -19.314 2.904 1.604 1.00 0.00 C ATOM 91 CG PHE A 11 -19.645 1.895 0.531 1.00 0.00 C ATOM 92 CD1 PHE A 11 -20.524 0.842 0.812 1.00 0.00 C ATOM 93 CD2 PHE A 11 -19.079 2.013 -0.744 1.00 0.00 C ATOM 94 CE1 PHE A 11 -20.836 -0.092 -0.181 1.00 0.00 C ATOM 95 CE2 PHE A 11 -19.391 1.077 -1.737 1.00 0.00 C ATOM 96 CZ PHE A 11 -20.270 0.026 -1.456 1.00 0.00 C ATOM 0 H PHE A 11 -19.797 5.344 1.272 1.00 0.00 H new ATOM 0 HA PHE A 11 -21.458 3.009 1.701 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -18.642 3.665 1.208 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -18.793 2.417 2.428 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -20.961 0.751 1.795 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -18.402 2.826 -0.961 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -21.514 -0.904 0.036 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.953 1.166 -2.720 1.00 0.00 H new ATOM 0 HZ PHE A 11 -20.512 -0.695 -2.223 1.00 0.00 H new ATOM 97 N GLN A 12 -20.243 4.555 4.288 1.00 0.00 N ATOM 98 CA GLN A 12 -20.269 4.561 5.777 1.00 0.00 C ATOM 99 C GLN A 12 -21.723 4.545 6.250 1.00 0.00 C ATOM 100 O GLN A 12 -22.046 3.989 7.281 1.00 0.00 O ATOM 101 CB GLN A 12 -19.573 5.819 6.298 1.00 0.00 C ATOM 102 CG GLN A 12 -19.500 5.765 7.826 1.00 0.00 C ATOM 103 CD GLN A 12 -18.870 7.057 8.353 1.00 0.00 C ATOM 104 OE1 GLN A 12 -18.417 7.882 7.584 1.00 0.00 O ATOM 105 NE2 GLN A 12 -18.822 7.268 9.639 1.00 0.00 N ATOM 0 H GLN A 12 -19.898 5.412 3.855 1.00 0.00 H new ATOM 0 HA GLN A 12 -19.749 3.682 6.157 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -18.570 5.893 5.878 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -20.119 6.708 5.980 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -20.499 5.638 8.244 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -18.910 4.905 8.142 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -19.202 6.575 10.284 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.404 8.126 10.000 1.00 0.00 H new ATOM 106 N ALA A 13 -22.605 5.149 5.500 1.00 0.00 N ATOM 107 CA ALA A 13 -24.038 5.165 5.901 1.00 0.00 C ATOM 108 C ALA A 13 -24.640 3.779 5.665 1.00 0.00 C ATOM 109 O ALA A 13 -25.588 3.383 6.313 1.00 0.00 O ATOM 110 CB ALA A 13 -24.792 6.201 5.064 1.00 0.00 C ATOM 0 H ALA A 13 -22.393 5.632 4.627 1.00 0.00 H new ATOM 0 HA ALA A 13 -24.121 5.426 6.956 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -25.842 6.212 5.358 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -24.358 7.187 5.229 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -24.714 5.942 4.008 1.00 0.00 H new ATOM 111 N PHE A 14 -24.092 3.036 4.741 1.00 0.00 N ATOM 112 CA PHE A 14 -24.627 1.673 4.466 1.00 0.00 C ATOM 113 C PHE A 14 -24.050 0.687 5.484 1.00 0.00 C ATOM 114 O PHE A 14 -24.246 -0.508 5.385 1.00 0.00 O ATOM 115 CB PHE A 14 -24.224 1.242 3.053 1.00 0.00 C ATOM 116 CG PHE A 14 -24.653 2.298 2.062 1.00 0.00 C ATOM 117 CD1 PHE A 14 -25.813 3.047 2.297 1.00 0.00 C ATOM 118 CD2 PHE A 14 -23.892 2.530 0.910 1.00 0.00 C ATOM 119 CE1 PHE A 14 -26.211 4.027 1.380 1.00 0.00 C ATOM 120 CE2 PHE A 14 -24.291 3.510 -0.007 1.00 0.00 C ATOM 121 CZ PHE A 14 -25.449 4.259 0.228 1.00 0.00 C ATOM 0 H PHE A 14 -23.297 3.315 4.165 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.714 1.685 4.545 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.145 1.095 3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.688 0.287 2.806 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -26.400 2.868 3.186 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -22.997 1.953 0.729 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -27.106 4.604 1.561 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -23.704 3.688 -0.896 1.00 0.00 H new ATOM 0 HZ PHE A 14 -25.755 5.016 -0.479 1.00 0.00 H new ATOM 122 N MET A 15 -23.343 1.178 6.466 1.00 0.00 N ATOM 123 CA MET A 15 -22.757 0.271 7.491 1.00 0.00 C ATOM 124 C MET A 15 -23.838 -0.106 8.506 1.00 0.00 C ATOM 125 O MET A 15 -24.687 0.694 8.848 1.00 0.00 O ATOM 126 CB MET A 15 -21.613 0.986 8.210 1.00 0.00 C ATOM 127 CG MET A 15 -20.288 0.295 7.881 1.00 0.00 C ATOM 128 SD MET A 15 -18.976 1.004 8.905 1.00 0.00 S ATOM 129 CE MET A 15 -18.897 -0.325 10.130 1.00 0.00 C ATOM 0 H MET A 15 -23.146 2.170 6.602 1.00 0.00 H new ATOM 0 HA MET A 15 -22.376 -0.629 7.008 1.00 0.00 H new ATOM 0 HB2 MET A 15 -21.575 2.032 7.904 1.00 0.00 H new ATOM 0 HB3 MET A 15 -21.783 0.975 9.287 1.00 0.00 H new ATOM 0 HG2 MET A 15 -20.368 -0.777 8.063 1.00 0.00 H new ATOM 0 HG3 MET A 15 -20.050 0.422 6.825 1.00 0.00 H new ATOM 0 HE1 MET A 15 -18.422 0.045 11.038 1.00 0.00 H new ATOM 0 HE2 MET A 15 -19.906 -0.667 10.361 1.00 0.00 H new ATOM 0 HE3 MET A 15 -18.316 -1.155 9.729 1.00 0.00 H new ATOM 130 N LYS A 16 -23.818 -1.317 8.993 1.00 0.00 N ATOM 131 CA LYS A 16 -24.849 -1.737 9.984 1.00 0.00 C ATOM 132 C LYS A 16 -24.236 -2.737 10.967 1.00 0.00 C ATOM 133 O LYS A 16 -23.451 -3.586 10.595 1.00 0.00 O ATOM 134 CB LYS A 16 -26.021 -2.393 9.249 1.00 0.00 C ATOM 135 CG LYS A 16 -27.190 -2.592 10.217 1.00 0.00 C ATOM 136 CD LYS A 16 -28.308 -3.362 9.508 1.00 0.00 C ATOM 137 CE LYS A 16 -29.523 -3.467 10.431 1.00 0.00 C ATOM 138 NZ LYS A 16 -30.286 -4.707 10.108 1.00 0.00 N ATOM 0 H LYS A 16 -23.134 -2.032 8.748 1.00 0.00 H new ATOM 0 HA LYS A 16 -25.205 -0.865 10.532 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -26.332 -1.769 8.411 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -25.712 -3.353 8.835 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -26.858 -3.140 11.099 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -27.560 -1.627 10.562 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -28.584 -2.854 8.584 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -27.960 -4.358 9.233 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -29.202 -3.486 11.472 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -30.162 -2.592 10.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -31.112 -4.779 10.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -30.604 -4.671 9.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -29.674 -5.537 10.245 1.00 0.00 H new ATOM 139 N ASN A 17 -24.587 -2.641 12.221 1.00 0.00 N ATOM 140 CA ASN A 17 -24.024 -3.585 13.227 1.00 0.00 C ATOM 141 C ASN A 17 -22.501 -3.635 13.082 1.00 0.00 C ATOM 142 O ASN A 17 -21.870 -4.627 13.389 1.00 0.00 O ATOM 143 CB ASN A 17 -24.603 -4.984 12.999 1.00 0.00 C ATOM 144 CG ASN A 17 -26.123 -4.943 13.171 1.00 0.00 C ATOM 145 OD1 ASN A 17 -26.626 -4.316 14.083 1.00 0.00 O ATOM 146 ND2 ASN A 17 -26.881 -5.590 12.329 1.00 0.00 N ATOM 0 H ASN A 17 -25.239 -1.950 12.592 1.00 0.00 H new ATOM 0 HA ASN A 17 -24.285 -3.244 14.229 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -24.349 -5.335 11.999 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -24.166 -5.690 13.705 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -27.895 -5.570 12.436 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -26.459 -6.116 11.564 1.00 0.00 H new ATOM 147 N GLY A 18 -21.905 -2.572 12.614 1.00 0.00 N ATOM 148 CA GLY A 18 -20.425 -2.562 12.446 1.00 0.00 C ATOM 149 C GLY A 18 -20.057 -3.320 11.170 1.00 0.00 C ATOM 150 O GLY A 18 -18.931 -3.734 10.984 1.00 0.00 O ATOM 0 H GLY A 18 -22.379 -1.711 12.341 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -20.060 -1.536 12.391 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -19.946 -3.025 13.309 1.00 0.00 H new ATOM 151 N LYS A 19 -21.003 -3.504 10.291 1.00 0.00 N ATOM 152 CA LYS A 19 -20.715 -4.235 9.026 1.00 0.00 C ATOM 153 C LYS A 19 -21.026 -3.328 7.834 1.00 0.00 C ATOM 154 O LYS A 19 -22.022 -2.633 7.813 1.00 0.00 O ATOM 155 CB LYS A 19 -21.588 -5.488 8.953 1.00 0.00 C ATOM 156 CG LYS A 19 -21.055 -6.418 7.860 1.00 0.00 C ATOM 157 CD LYS A 19 -22.228 -7.015 7.078 1.00 0.00 C ATOM 158 CE LYS A 19 -21.768 -8.284 6.357 1.00 0.00 C ATOM 159 NZ LYS A 19 -21.681 -8.020 4.892 1.00 0.00 N ATOM 0 H LYS A 19 -21.964 -3.179 10.395 1.00 0.00 H new ATOM 0 HA LYS A 19 -19.664 -4.522 9.002 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -21.587 -6.001 9.915 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.621 -5.213 8.739 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.399 -5.866 7.187 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.458 -7.214 8.305 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -23.050 -7.247 7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -22.604 -6.290 6.356 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -20.797 -8.600 6.739 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -22.467 -9.098 6.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -21.368 -8.882 4.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -22.616 -7.738 4.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.998 -7.255 4.717 1.00 0.00 H new ATOM 160 N LEU A 20 -20.180 -3.329 6.840 1.00 0.00 N ATOM 161 CA LEU A 20 -20.431 -2.465 5.651 1.00 0.00 C ATOM 162 C LEU A 20 -21.267 -3.238 4.629 1.00 0.00 C ATOM 163 O LEU A 20 -20.882 -4.298 4.173 1.00 0.00 O ATOM 164 CB LEU A 20 -19.093 -2.063 5.017 1.00 0.00 C ATOM 165 CG LEU A 20 -19.333 -1.476 3.619 1.00 0.00 C ATOM 166 CD1 LEU A 20 -19.957 -0.087 3.747 1.00 0.00 C ATOM 167 CD2 LEU A 20 -18.004 -1.365 2.873 1.00 0.00 C ATOM 0 H LEU A 20 -19.328 -3.889 6.799 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.969 -1.569 5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -18.588 -1.331 5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.437 -2.931 4.949 1.00 0.00 H new ATOM 0 HG LEU A 20 -20.007 -2.130 3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -20.127 0.329 2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -20.907 -0.162 4.276 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -19.283 0.565 4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -18.177 -0.948 1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.329 -0.713 3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.557 -2.354 2.778 1.00 0.00 H new ATOM 168 N PHE A 21 -22.399 -2.712 4.252 1.00 0.00 N ATOM 169 CA PHE A 21 -23.243 -3.413 3.247 1.00 0.00 C ATOM 170 C PHE A 21 -22.732 -3.066 1.848 1.00 0.00 C ATOM 171 O PHE A 21 -22.660 -1.913 1.475 1.00 0.00 O ATOM 172 CB PHE A 21 -24.699 -2.962 3.385 1.00 0.00 C ATOM 173 CG PHE A 21 -25.300 -3.545 4.643 1.00 0.00 C ATOM 174 CD1 PHE A 21 -25.003 -4.860 5.025 1.00 0.00 C ATOM 175 CD2 PHE A 21 -26.159 -2.766 5.427 1.00 0.00 C ATOM 176 CE1 PHE A 21 -25.564 -5.393 6.192 1.00 0.00 C ATOM 177 CE2 PHE A 21 -26.720 -3.300 6.593 1.00 0.00 C ATOM 178 CZ PHE A 21 -26.423 -4.614 6.975 1.00 0.00 C ATOM 0 H PHE A 21 -22.775 -1.828 4.596 1.00 0.00 H new ATOM 0 HA PHE A 21 -23.189 -4.490 3.409 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -24.750 -1.874 3.417 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -25.272 -3.282 2.515 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -24.342 -5.462 4.420 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -26.389 -1.753 5.132 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -25.334 -6.406 6.488 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -27.382 -2.698 7.198 1.00 0.00 H new ATOM 0 HZ PHE A 21 -26.857 -5.026 7.874 1.00 0.00 H new ATOM 179 N CYS A 22 -22.363 -4.050 1.079 1.00 0.00 N ATOM 180 CA CYS A 22 -21.843 -3.769 -0.289 1.00 0.00 C ATOM 181 C CYS A 22 -22.872 -4.191 -1.343 1.00 0.00 C ATOM 182 O CYS A 22 -22.627 -5.078 -2.136 1.00 0.00 O ATOM 183 CB CYS A 22 -20.546 -4.552 -0.502 1.00 0.00 C ATOM 184 SG CYS A 22 -19.557 -3.745 -1.785 1.00 0.00 S ATOM 0 H CYS A 22 -22.398 -5.036 1.337 1.00 0.00 H new ATOM 0 HA CYS A 22 -21.654 -2.700 -0.389 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -19.982 -4.602 0.429 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -20.772 -5.578 -0.793 1.00 0.00 H new ATOM 185 N PRO A 23 -24.042 -3.531 -1.359 1.00 0.00 N ATOM 186 CA PRO A 23 -25.107 -3.832 -2.326 1.00 0.00 C ATOM 187 C PRO A 23 -24.721 -3.390 -3.742 1.00 0.00 C ATOM 188 O PRO A 23 -23.751 -2.685 -3.938 1.00 0.00 O ATOM 189 CB PRO A 23 -26.288 -3.000 -1.827 1.00 0.00 C ATOM 190 CG PRO A 23 -25.663 -1.881 -1.066 1.00 0.00 C ATOM 191 CD PRO A 23 -24.422 -2.447 -0.436 1.00 0.00 C ATOM 0 HA PRO A 23 -25.317 -4.900 -2.388 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -26.890 -2.628 -2.656 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -26.949 -3.590 -1.193 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -25.420 -1.049 -1.726 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -26.345 -1.497 -0.307 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -23.636 -1.697 -0.350 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -24.616 -2.823 0.569 1.00 0.00 H new ATOM 192 N GLN A 24 -25.470 -3.798 -4.730 1.00 0.00 N ATOM 193 CA GLN A 24 -25.141 -3.398 -6.128 1.00 0.00 C ATOM 194 C GLN A 24 -25.954 -2.159 -6.510 1.00 0.00 C ATOM 195 O GLN A 24 -27.157 -2.217 -6.667 1.00 0.00 O ATOM 196 CB GLN A 24 -25.481 -4.546 -7.080 1.00 0.00 C ATOM 197 CG GLN A 24 -24.496 -5.696 -6.864 1.00 0.00 C ATOM 198 CD GLN A 24 -24.799 -6.822 -7.855 1.00 0.00 C ATOM 199 OE1 GLN A 24 -25.846 -6.838 -8.473 1.00 0.00 O ATOM 200 NE2 GLN A 24 -23.922 -7.772 -8.034 1.00 0.00 N ATOM 0 H GLN A 24 -26.294 -4.390 -4.630 1.00 0.00 H new ATOM 0 HA GLN A 24 -24.078 -3.170 -6.200 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -26.501 -4.889 -6.904 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -25.434 -4.202 -8.113 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -23.474 -5.343 -7.000 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -24.572 -6.067 -5.842 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -23.043 -7.759 -7.516 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -24.115 -8.527 -8.692 1.00 0.00 H new ATOM 201 N ASP A 25 -25.304 -1.036 -6.662 1.00 0.00 N ATOM 202 CA ASP A 25 -26.039 0.206 -7.032 1.00 0.00 C ATOM 203 C ASP A 25 -26.367 0.181 -8.526 1.00 0.00 C ATOM 204 O ASP A 25 -25.500 0.005 -9.360 1.00 0.00 O ATOM 205 CB ASP A 25 -25.167 1.425 -6.723 1.00 0.00 C ATOM 206 CG ASP A 25 -25.965 2.703 -6.988 1.00 0.00 C ATOM 207 OD1 ASP A 25 -27.145 2.594 -7.275 1.00 0.00 O ATOM 208 OD2 ASP A 25 -25.381 3.771 -6.899 1.00 0.00 O ATOM 0 H ASP A 25 -24.297 -0.926 -6.546 1.00 0.00 H new ATOM 0 HA ASP A 25 -26.964 0.264 -6.458 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -24.839 1.397 -5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -24.269 1.409 -7.341 1.00 0.00 H new ATOM 209 N LYS A 26 -27.613 0.359 -8.874 1.00 0.00 N ATOM 210 CA LYS A 26 -27.992 0.348 -10.315 1.00 0.00 C ATOM 211 C LYS A 26 -27.275 1.490 -11.037 1.00 0.00 C ATOM 212 O LYS A 26 -26.947 1.394 -12.202 1.00 0.00 O ATOM 213 CB LYS A 26 -29.505 0.532 -10.447 1.00 0.00 C ATOM 214 CG LYS A 26 -30.222 -0.672 -9.833 1.00 0.00 C ATOM 215 CD LYS A 26 -31.730 -0.535 -10.054 1.00 0.00 C ATOM 216 CE LYS A 26 -32.455 -1.690 -9.361 1.00 0.00 C ATOM 217 NZ LYS A 26 -33.324 -1.151 -8.277 1.00 0.00 N ATOM 0 H LYS A 26 -28.383 0.511 -8.223 1.00 0.00 H new ATOM 0 HA LYS A 26 -27.703 -0.604 -10.760 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -29.816 1.448 -9.945 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -29.779 0.635 -11.497 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -29.860 -1.595 -10.286 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -30.004 -0.734 -8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -32.081 0.418 -9.658 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -31.954 -0.539 -11.121 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -33.056 -2.242 -10.083 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -31.731 -2.392 -8.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -33.817 -1.936 -7.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -32.739 -0.643 -7.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -34.023 -0.498 -8.685 1.00 0.00 H new ATOM 218 N LYS A 27 -27.027 2.572 -10.350 1.00 0.00 N ATOM 219 CA LYS A 27 -26.330 3.721 -10.994 1.00 0.00 C ATOM 220 C LYS A 27 -24.826 3.441 -11.037 1.00 0.00 C ATOM 221 O LYS A 27 -24.206 3.181 -10.026 1.00 0.00 O ATOM 222 CB LYS A 27 -26.590 4.993 -10.186 1.00 0.00 C ATOM 223 CG LYS A 27 -27.997 5.511 -10.490 1.00 0.00 C ATOM 224 CD LYS A 27 -28.365 6.606 -9.487 1.00 0.00 C ATOM 225 CE LYS A 27 -28.447 6.003 -8.083 1.00 0.00 C ATOM 226 NZ LYS A 27 -29.455 6.750 -7.279 1.00 0.00 N ATOM 0 H LYS A 27 -27.277 2.710 -9.371 1.00 0.00 H new ATOM 0 HA LYS A 27 -26.705 3.854 -12.009 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -26.489 4.787 -9.120 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -25.849 5.753 -10.435 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -28.040 5.904 -11.506 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -28.717 4.694 -10.434 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -27.620 7.401 -9.510 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -29.320 7.056 -9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -28.722 4.950 -8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -27.472 6.050 -7.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -29.511 6.340 -6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -29.174 7.749 -7.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -30.385 6.683 -7.739 1.00 0.00 H new ATOM 227 N PRO A 28 -24.235 3.493 -12.239 1.00 0.00 N ATOM 228 CA PRO A 28 -22.799 3.243 -12.428 1.00 0.00 C ATOM 229 C PRO A 28 -21.935 4.370 -11.851 1.00 0.00 C ATOM 230 O PRO A 28 -22.209 5.538 -12.042 1.00 0.00 O ATOM 231 CB PRO A 28 -22.643 3.192 -13.948 1.00 0.00 C ATOM 232 CG PRO A 28 -23.783 3.999 -14.472 1.00 0.00 C ATOM 233 CD PRO A 28 -24.918 3.799 -13.508 1.00 0.00 C ATOM 0 HA PRO A 28 -22.475 2.335 -11.919 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -21.686 3.608 -14.262 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -22.681 2.167 -14.316 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -23.514 5.053 -14.543 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -24.062 3.674 -15.474 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -25.538 4.692 -13.426 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -25.572 2.984 -13.820 1.00 0.00 H new ATOM 234 N ILE A 29 -20.887 4.025 -11.151 1.00 0.00 N ATOM 235 CA ILE A 29 -19.998 5.069 -10.567 1.00 0.00 C ATOM 236 C ILE A 29 -18.592 4.900 -11.146 1.00 0.00 C ATOM 237 O ILE A 29 -17.997 3.845 -11.062 1.00 0.00 O ATOM 238 CB ILE A 29 -19.975 4.923 -9.028 1.00 0.00 C ATOM 239 CG1 ILE A 29 -20.979 5.901 -8.419 1.00 0.00 C ATOM 240 CG2 ILE A 29 -18.580 5.229 -8.460 1.00 0.00 C ATOM 241 CD1 ILE A 29 -20.447 7.326 -8.573 1.00 0.00 C ATOM 0 H ILE A 29 -20.609 3.063 -10.959 1.00 0.00 H new ATOM 0 HA ILE A 29 -20.369 6.064 -10.814 1.00 0.00 H new ATOM 0 HB ILE A 29 -20.235 3.894 -8.778 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -21.945 5.805 -8.914 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -21.137 5.670 -7.365 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -18.596 5.118 -7.376 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -17.854 4.536 -8.885 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -18.299 6.251 -8.716 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -21.159 8.029 -8.140 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -19.491 7.415 -8.058 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -20.312 7.552 -9.631 1.00 0.00 H new ATOM 242 N GLN A 30 -18.051 5.933 -11.725 1.00 0.00 N ATOM 243 CA GLN A 30 -16.683 5.823 -12.293 1.00 0.00 C ATOM 244 C GLN A 30 -15.673 6.201 -11.213 1.00 0.00 C ATOM 245 O GLN A 30 -15.408 7.362 -10.971 1.00 0.00 O ATOM 246 CB GLN A 30 -16.544 6.765 -13.488 1.00 0.00 C ATOM 247 CG GLN A 30 -15.090 6.776 -13.965 1.00 0.00 C ATOM 248 CD GLN A 30 -14.993 7.548 -15.284 1.00 0.00 C ATOM 249 OE1 GLN A 30 -15.938 8.191 -15.694 1.00 0.00 O ATOM 250 NE2 GLN A 30 -13.883 7.508 -15.971 1.00 0.00 N ATOM 0 H GLN A 30 -18.496 6.845 -11.829 1.00 0.00 H new ATOM 0 HA GLN A 30 -16.500 4.802 -12.628 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -17.200 6.443 -14.296 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -16.853 7.772 -13.208 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -14.452 7.239 -13.212 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -14.733 5.755 -14.101 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -13.089 6.968 -15.627 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -13.810 8.017 -16.852 1.00 0.00 H new ATOM 251 N SER A 31 -15.117 5.227 -10.550 1.00 0.00 N ATOM 252 CA SER A 31 -14.136 5.525 -9.471 1.00 0.00 C ATOM 253 C SER A 31 -12.769 5.836 -10.091 1.00 0.00 C ATOM 254 O SER A 31 -12.573 5.704 -11.283 1.00 0.00 O ATOM 255 CB SER A 31 -14.027 4.311 -8.547 1.00 0.00 C ATOM 256 OG SER A 31 -12.834 3.596 -8.838 1.00 0.00 O ATOM 0 H SER A 31 -15.300 4.236 -10.709 1.00 0.00 H new ATOM 0 HA SER A 31 -14.468 6.390 -8.897 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.025 4.633 -7.506 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.893 3.662 -8.679 1.00 0.00 H new ATOM 0 HG SER A 31 -12.889 3.221 -9.742 1.00 0.00 H new ATOM 257 N LEU A 32 -11.830 6.275 -9.295 1.00 0.00 N ATOM 258 CA LEU A 32 -10.487 6.626 -9.844 1.00 0.00 C ATOM 259 C LEU A 32 -9.476 5.511 -9.558 1.00 0.00 C ATOM 260 O LEU A 32 -8.350 5.559 -10.010 1.00 0.00 O ATOM 261 CB LEU A 32 -10.004 7.921 -9.191 1.00 0.00 C ATOM 262 CG LEU A 32 -10.150 7.807 -7.670 1.00 0.00 C ATOM 263 CD1 LEU A 32 -8.852 8.260 -6.995 1.00 0.00 C ATOM 264 CD2 LEU A 32 -11.305 8.694 -7.198 1.00 0.00 C ATOM 0 H LEU A 32 -11.935 6.406 -8.289 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.571 6.753 -10.923 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.963 8.108 -9.455 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.584 8.767 -9.561 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.356 6.770 -7.404 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.957 8.179 -5.913 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.029 7.628 -7.328 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.645 9.296 -7.262 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.408 8.612 -6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.101 9.731 -7.466 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.230 8.372 -7.676 1.00 0.00 H new ATOM 265 N ASP A 33 -9.857 4.512 -8.813 1.00 0.00 N ATOM 266 CA ASP A 33 -8.898 3.412 -8.510 1.00 0.00 C ATOM 267 C ASP A 33 -8.888 2.404 -9.661 1.00 0.00 C ATOM 268 O ASP A 33 -8.332 1.330 -9.553 1.00 0.00 O ATOM 269 CB ASP A 33 -9.325 2.705 -7.225 1.00 0.00 C ATOM 270 CG ASP A 33 -8.993 3.590 -6.021 1.00 0.00 C ATOM 271 OD1 ASP A 33 -8.452 4.663 -6.232 1.00 0.00 O ATOM 272 OD2 ASP A 33 -9.282 3.178 -4.910 1.00 0.00 O ATOM 0 H ASP A 33 -10.785 4.409 -8.402 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.899 3.830 -8.385 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.394 2.494 -7.251 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.813 1.747 -7.137 1.00 0.00 H new ATOM 273 N GLY A 34 -9.502 2.740 -10.759 1.00 0.00 N ATOM 274 CA GLY A 34 -9.532 1.797 -11.912 1.00 0.00 C ATOM 275 C GLY A 34 -10.748 0.879 -11.783 1.00 0.00 C ATOM 276 O GLY A 34 -10.928 -0.042 -12.553 1.00 0.00 O ATOM 0 H GLY A 34 -9.985 3.626 -10.909 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.579 2.352 -12.849 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.617 1.206 -11.937 1.00 0.00 H new ATOM 277 N ILE A 35 -11.589 1.127 -10.815 1.00 0.00 N ATOM 278 CA ILE A 35 -12.795 0.272 -10.638 1.00 0.00 C ATOM 279 C ILE A 35 -14.050 1.119 -10.860 1.00 0.00 C ATOM 280 O ILE A 35 -14.022 2.329 -10.743 1.00 0.00 O ATOM 281 CB ILE A 35 -12.813 -0.307 -9.220 1.00 0.00 C ATOM 282 CG1 ILE A 35 -11.443 -0.903 -8.889 1.00 0.00 C ATOM 283 CG2 ILE A 35 -13.879 -1.399 -9.129 1.00 0.00 C ATOM 284 CD1 ILE A 35 -11.352 -1.163 -7.383 1.00 0.00 C ATOM 0 H ILE A 35 -11.492 1.885 -10.140 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.771 -0.545 -11.359 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.042 0.487 -8.509 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.296 -1.832 -9.439 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.652 -0.220 -9.200 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.892 -1.811 -8.120 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.856 -0.974 -9.360 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.650 -2.191 -9.842 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.377 -1.588 -7.145 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.481 -0.225 -6.843 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.134 -1.862 -7.087 1.00 0.00 H new ATOM 285 N MET A 36 -15.149 0.496 -11.181 1.00 0.00 N ATOM 286 CA MET A 36 -16.403 1.266 -11.414 1.00 0.00 C ATOM 287 C MET A 36 -17.349 1.080 -10.225 1.00 0.00 C ATOM 288 O MET A 36 -17.901 0.018 -10.023 1.00 0.00 O ATOM 289 CB MET A 36 -17.085 0.757 -12.685 1.00 0.00 C ATOM 290 CG MET A 36 -16.255 1.155 -13.907 1.00 0.00 C ATOM 291 SD MET A 36 -17.162 0.733 -15.416 1.00 0.00 S ATOM 292 CE MET A 36 -15.838 1.111 -16.590 1.00 0.00 C ATOM 0 H MET A 36 -15.233 -0.514 -11.292 1.00 0.00 H new ATOM 0 HA MET A 36 -16.161 2.323 -11.525 1.00 0.00 H new ATOM 0 HB2 MET A 36 -17.192 -0.327 -12.643 1.00 0.00 H new ATOM 0 HB3 MET A 36 -18.089 1.174 -12.763 1.00 0.00 H new ATOM 0 HG2 MET A 36 -16.044 2.224 -13.884 1.00 0.00 H new ATOM 0 HG3 MET A 36 -15.295 0.640 -13.891 1.00 0.00 H new ATOM 0 HE1 MET A 36 -16.186 0.918 -17.605 1.00 0.00 H new ATOM 0 HE2 MET A 36 -15.557 2.160 -16.496 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.973 0.483 -16.378 1.00 0.00 H new ATOM 293 N PHE A 37 -17.543 2.110 -9.443 1.00 0.00 N ATOM 294 CA PHE A 37 -18.461 2.009 -8.272 1.00 0.00 C ATOM 295 C PHE A 37 -17.894 1.044 -7.235 1.00 0.00 C ATOM 296 O PHE A 37 -17.656 1.410 -6.101 1.00 0.00 O ATOM 297 CB PHE A 37 -19.828 1.510 -8.732 1.00 0.00 C ATOM 298 CG PHE A 37 -20.742 1.379 -7.536 1.00 0.00 C ATOM 299 CD1 PHE A 37 -20.668 0.240 -6.723 1.00 0.00 C ATOM 300 CD2 PHE A 37 -21.658 2.394 -7.235 1.00 0.00 C ATOM 301 CE1 PHE A 37 -21.511 0.118 -5.613 1.00 0.00 C ATOM 302 CE2 PHE A 37 -22.500 2.272 -6.123 1.00 0.00 C ATOM 303 CZ PHE A 37 -22.426 1.133 -5.312 1.00 0.00 C ATOM 0 H PHE A 37 -17.102 3.021 -9.567 1.00 0.00 H new ATOM 0 HA PHE A 37 -18.562 2.996 -7.821 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -20.256 2.203 -9.456 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -19.726 0.547 -9.233 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -19.961 -0.543 -6.953 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -21.715 3.272 -7.861 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -21.455 -0.761 -4.988 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -23.206 3.056 -5.891 1.00 0.00 H new ATOM 0 HZ PHE A 37 -23.075 1.038 -4.454 1.00 0.00 H new ATOM 304 N ILE A 38 -17.680 -0.183 -7.610 1.00 0.00 N ATOM 305 CA ILE A 38 -17.130 -1.169 -6.638 1.00 0.00 C ATOM 306 C ILE A 38 -15.996 -0.514 -5.849 1.00 0.00 C ATOM 307 O ILE A 38 -15.711 -0.884 -4.728 1.00 0.00 O ATOM 308 CB ILE A 38 -16.600 -2.393 -7.387 1.00 0.00 C ATOM 309 CG1 ILE A 38 -17.754 -3.088 -8.112 1.00 0.00 C ATOM 310 CG2 ILE A 38 -15.967 -3.367 -6.391 1.00 0.00 C ATOM 311 CD1 ILE A 38 -18.906 -3.320 -7.132 1.00 0.00 C ATOM 0 H ILE A 38 -17.861 -0.547 -8.545 1.00 0.00 H new ATOM 0 HA ILE A 38 -17.916 -1.486 -5.953 1.00 0.00 H new ATOM 0 HB ILE A 38 -15.851 -2.076 -8.113 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -18.092 -2.477 -8.949 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.418 -4.039 -8.526 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -15.589 -4.239 -6.925 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -15.144 -2.874 -5.873 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -16.716 -3.682 -5.665 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -19.729 -3.815 -7.648 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -18.563 -3.948 -6.310 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -19.248 -2.362 -6.739 1.00 0.00 H new ATOM 312 N ASN A 39 -15.349 0.463 -6.425 1.00 0.00 N ATOM 313 CA ASN A 39 -14.241 1.145 -5.703 1.00 0.00 C ATOM 314 C ASN A 39 -14.761 1.705 -4.382 1.00 0.00 C ATOM 315 O ASN A 39 -14.261 1.381 -3.326 1.00 0.00 O ATOM 316 CB ASN A 39 -13.698 2.295 -6.550 1.00 0.00 C ATOM 317 CG ASN A 39 -12.341 2.729 -5.992 1.00 0.00 C ATOM 318 OD1 ASN A 39 -11.534 1.900 -5.619 1.00 0.00 O ATOM 319 ND2 ASN A 39 -12.054 3.999 -5.909 1.00 0.00 N ATOM 0 H ASN A 39 -15.540 0.817 -7.362 1.00 0.00 H new ATOM 0 HA ASN A 39 -13.445 0.424 -5.513 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.595 1.981 -7.589 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.395 3.133 -6.538 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.154 4.295 -5.532 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.730 4.696 -6.222 1.00 0.00 H new ATOM 320 N LYS A 40 -15.754 2.554 -4.432 1.00 0.00 N ATOM 321 CA LYS A 40 -16.294 3.141 -3.171 1.00 0.00 C ATOM 322 C LYS A 40 -16.395 2.053 -2.104 1.00 0.00 C ATOM 323 O LYS A 40 -16.122 2.278 -0.942 1.00 0.00 O ATOM 324 CB LYS A 40 -17.682 3.732 -3.429 1.00 0.00 C ATOM 325 CG LYS A 40 -17.571 4.879 -4.434 1.00 0.00 C ATOM 326 CD LYS A 40 -18.919 5.596 -4.539 1.00 0.00 C ATOM 327 CE LYS A 40 -18.826 6.704 -5.590 1.00 0.00 C ATOM 328 NZ LYS A 40 -18.663 8.020 -4.911 1.00 0.00 N ATOM 0 H LYS A 40 -16.213 2.865 -5.288 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.625 3.929 -2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.351 2.962 -3.813 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.114 4.093 -2.496 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.798 5.580 -4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.274 4.495 -5.410 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.700 4.886 -4.811 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.195 6.019 -3.573 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -17.983 6.519 -6.255 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.724 6.710 -6.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -18.032 8.625 -5.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -19.591 8.480 -4.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -18.252 7.875 -3.967 1.00 0.00 H new ATOM 329 N CYS A 41 -16.777 0.873 -2.495 1.00 0.00 N ATOM 330 CA CYS A 41 -16.890 -0.242 -1.518 1.00 0.00 C ATOM 331 C CYS A 41 -15.497 -0.803 -1.240 1.00 0.00 C ATOM 332 O CYS A 41 -15.155 -1.137 -0.123 1.00 0.00 O ATOM 333 CB CYS A 41 -17.763 -1.341 -2.118 1.00 0.00 C ATOM 334 SG CYS A 41 -18.539 -2.306 -0.798 1.00 0.00 S ATOM 0 H CYS A 41 -17.018 0.631 -3.456 1.00 0.00 H new ATOM 0 HA CYS A 41 -17.335 0.118 -0.590 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -18.529 -0.900 -2.756 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -17.159 -1.993 -2.749 1.00 0.00 H new ATOM 335 N ALA A 42 -14.693 -0.915 -2.261 1.00 0.00 N ATOM 336 CA ALA A 42 -13.320 -1.461 -2.079 1.00 0.00 C ATOM 337 C ALA A 42 -12.421 -0.416 -1.412 1.00 0.00 C ATOM 338 O ALA A 42 -11.413 -0.744 -0.817 1.00 0.00 O ATOM 339 CB ALA A 42 -12.739 -1.826 -3.443 1.00 0.00 C ATOM 0 H ALA A 42 -14.930 -0.651 -3.217 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.370 -2.346 -1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.733 -2.226 -3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.370 -2.577 -3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.698 -0.936 -4.071 1.00 0.00 H new ATOM 340 N THR A 43 -12.769 0.839 -1.505 1.00 0.00 N ATOM 341 CA THR A 43 -11.921 1.887 -0.874 1.00 0.00 C ATOM 342 C THR A 43 -12.539 2.305 0.456 1.00 0.00 C ATOM 343 O THR A 43 -11.856 2.453 1.450 1.00 0.00 O ATOM 344 CB THR A 43 -11.837 3.102 -1.802 1.00 0.00 C ATOM 345 OG1 THR A 43 -13.142 3.458 -2.233 1.00 0.00 O ATOM 346 CG2 THR A 43 -10.972 2.760 -3.016 1.00 0.00 C ATOM 0 H THR A 43 -13.600 1.181 -1.988 1.00 0.00 H new ATOM 0 HA THR A 43 -10.920 1.491 -0.702 1.00 0.00 H new ATOM 0 HB THR A 43 -11.391 3.939 -1.265 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.423 2.858 -2.955 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.913 3.625 -3.676 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.970 2.488 -2.684 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.416 1.923 -3.555 1.00 0.00 H new ATOM 347 N CYS A 44 -13.826 2.500 0.486 1.00 0.00 N ATOM 348 CA CYS A 44 -14.482 2.912 1.756 1.00 0.00 C ATOM 349 C CYS A 44 -14.211 1.862 2.833 1.00 0.00 C ATOM 350 O CYS A 44 -14.023 2.184 3.986 1.00 0.00 O ATOM 351 CB CYS A 44 -15.992 3.042 1.537 1.00 0.00 C ATOM 352 SG CYS A 44 -16.779 3.709 3.029 1.00 0.00 S ATOM 0 H CYS A 44 -14.451 2.392 -0.313 1.00 0.00 H new ATOM 0 HA CYS A 44 -14.080 3.873 2.075 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -16.190 3.696 0.688 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -16.418 2.068 1.295 1.00 0.00 H new ATOM 353 N LYS A 45 -14.188 0.609 2.471 1.00 0.00 N ATOM 354 CA LYS A 45 -13.930 -0.448 3.489 1.00 0.00 C ATOM 355 C LYS A 45 -12.601 -0.169 4.193 1.00 0.00 C ATOM 356 O LYS A 45 -12.460 -0.385 5.381 1.00 0.00 O ATOM 357 CB LYS A 45 -13.872 -1.816 2.809 1.00 0.00 C ATOM 358 CG LYS A 45 -13.801 -2.910 3.875 1.00 0.00 C ATOM 359 CD LYS A 45 -13.602 -4.268 3.199 1.00 0.00 C ATOM 360 CE LYS A 45 -13.657 -5.373 4.256 1.00 0.00 C ATOM 361 NZ LYS A 45 -12.486 -5.245 5.169 1.00 0.00 N ATOM 0 H LYS A 45 -14.336 0.272 1.520 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.736 -0.445 4.223 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.752 -1.960 2.182 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.002 -1.873 2.155 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.979 -2.710 4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.717 -2.917 4.466 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.375 -4.429 2.447 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.643 -4.292 2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.584 -5.302 4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.652 -6.351 3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.387 -6.115 5.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.623 -5.095 4.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.629 -4.436 5.806 1.00 0.00 H new ATOM 362 N MET A 46 -11.629 0.318 3.474 1.00 0.00 N ATOM 363 CA MET A 46 -10.316 0.621 4.105 1.00 0.00 C ATOM 364 C MET A 46 -10.403 1.980 4.798 1.00 0.00 C ATOM 365 O MET A 46 -9.840 2.189 5.854 1.00 0.00 O ATOM 366 CB MET A 46 -9.225 0.659 3.033 1.00 0.00 C ATOM 367 CG MET A 46 -9.054 -0.736 2.426 1.00 0.00 C ATOM 368 SD MET A 46 -8.704 -1.929 3.741 1.00 0.00 S ATOM 369 CE MET A 46 -7.103 -1.251 4.246 1.00 0.00 C ATOM 0 H MET A 46 -11.688 0.519 2.476 1.00 0.00 H new ATOM 0 HA MET A 46 -10.070 -0.151 4.834 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.490 1.375 2.255 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.284 0.995 3.469 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.958 -1.024 1.890 1.00 0.00 H new ATOM 0 HG3 MET A 46 -8.241 -0.731 1.700 1.00 0.00 H new ATOM 0 HE1 MET A 46 -6.499 -2.040 4.693 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.587 -0.849 3.374 1.00 0.00 H new ATOM 0 HE3 MET A 46 -7.258 -0.456 4.975 1.00 0.00 H new ATOM 370 N ILE A 47 -11.116 2.904 4.214 1.00 0.00 N ATOM 371 CA ILE A 47 -11.254 4.247 4.839 1.00 0.00 C ATOM 372 C ILE A 47 -12.275 4.164 5.977 1.00 0.00 C ATOM 373 O ILE A 47 -12.340 5.025 6.831 1.00 0.00 O ATOM 374 CB ILE A 47 -11.728 5.255 3.787 1.00 0.00 C ATOM 375 CG1 ILE A 47 -10.809 5.185 2.566 1.00 0.00 C ATOM 376 CG2 ILE A 47 -11.686 6.668 4.372 1.00 0.00 C ATOM 377 CD1 ILE A 47 -9.352 5.305 3.015 1.00 0.00 C ATOM 0 H ILE A 47 -11.609 2.785 3.329 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.292 4.573 5.235 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.750 5.015 3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.961 4.244 2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.053 5.986 1.868 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.024 7.383 3.621 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.339 6.721 5.243 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.665 6.909 4.669 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.698 5.255 2.145 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.206 6.257 3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.113 4.488 3.696 1.00 0.00 H new ATOM 378 N LEU A 48 -13.068 3.124 5.998 1.00 0.00 N ATOM 379 CA LEU A 48 -14.078 2.976 7.085 1.00 0.00 C ATOM 380 C LEU A 48 -13.353 2.653 8.391 1.00 0.00 C ATOM 381 O LEU A 48 -13.668 3.183 9.438 1.00 0.00 O ATOM 382 CB LEU A 48 -15.036 1.828 6.745 1.00 0.00 C ATOM 383 CG LEU A 48 -16.415 2.076 7.372 1.00 0.00 C ATOM 384 CD1 LEU A 48 -16.261 2.700 8.763 1.00 0.00 C ATOM 385 CD2 LEU A 48 -17.225 3.017 6.476 1.00 0.00 C ATOM 0 H LEU A 48 -13.059 2.372 5.309 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.645 3.901 7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.133 1.736 5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -14.628 0.886 7.110 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.935 1.123 7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.246 2.871 9.196 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.695 2.024 9.404 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -15.732 3.649 8.679 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -18.204 3.192 6.923 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.698 3.966 6.374 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.351 2.564 5.492 1.00 0.00 H new ATOM 386 N GLU A 49 -12.380 1.784 8.335 1.00 0.00 N ATOM 387 CA GLU A 49 -11.630 1.424 9.570 1.00 0.00 C ATOM 388 C GLU A 49 -10.951 2.673 10.135 1.00 0.00 C ATOM 389 O GLU A 49 -10.865 2.857 11.333 1.00 0.00 O ATOM 390 CB GLU A 49 -10.569 0.374 9.234 1.00 0.00 C ATOM 391 CG GLU A 49 -11.243 -0.846 8.604 1.00 0.00 C ATOM 392 CD GLU A 49 -10.179 -1.883 8.235 1.00 0.00 C ATOM 393 OE1 GLU A 49 -9.011 -1.532 8.245 1.00 0.00 O ATOM 394 OE2 GLU A 49 -10.551 -3.009 7.950 1.00 0.00 O ATOM 0 H GLU A 49 -12.073 1.308 7.487 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.320 1.019 10.310 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.833 0.792 8.547 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.033 0.081 10.137 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.961 -1.278 9.301 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.800 -0.549 7.715 1.00 0.00 H new ATOM 395 N LYS A 50 -10.468 3.535 9.282 1.00 0.00 N ATOM 396 CA LYS A 50 -9.798 4.773 9.770 1.00 0.00 C ATOM 397 C LYS A 50 -10.735 5.515 10.723 1.00 0.00 C ATOM 398 O LYS A 50 -10.311 6.080 11.711 1.00 0.00 O ATOM 399 CB LYS A 50 -9.460 5.672 8.580 1.00 0.00 C ATOM 400 CG LYS A 50 -8.382 5.004 7.725 1.00 0.00 C ATOM 401 CD LYS A 50 -7.916 5.977 6.641 1.00 0.00 C ATOM 402 CE LYS A 50 -6.923 5.270 5.715 1.00 0.00 C ATOM 403 NZ LYS A 50 -7.330 3.847 5.543 1.00 0.00 N ATOM 0 H LYS A 50 -10.509 3.435 8.268 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.880 4.509 10.296 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.353 5.853 7.982 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.110 6.643 8.932 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.539 4.708 8.349 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.776 4.096 7.269 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.771 6.337 6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.447 6.849 7.097 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.893 5.770 4.747 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.918 5.324 6.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.930 3.476 4.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.977 3.286 6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.367 3.785 5.507 1.00 0.00 H new ATOM 404 N GLU A 51 -12.009 5.517 10.436 1.00 0.00 N ATOM 405 CA GLU A 51 -12.972 6.223 11.327 1.00 0.00 C ATOM 406 C GLU A 51 -12.964 5.559 12.705 1.00 0.00 C ATOM 407 O GLU A 51 -13.127 6.208 13.720 1.00 0.00 O ATOM 408 CB GLU A 51 -14.377 6.140 10.729 1.00 0.00 C ATOM 409 CG GLU A 51 -14.404 6.876 9.388 1.00 0.00 C ATOM 410 CD GLU A 51 -15.815 6.813 8.800 1.00 0.00 C ATOM 411 OE1 GLU A 51 -16.617 6.053 9.316 1.00 0.00 O ATOM 412 OE2 GLU A 51 -16.069 7.527 7.844 1.00 0.00 O ATOM 0 H GLU A 51 -12.424 5.060 9.624 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.682 7.269 11.423 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.664 5.098 10.590 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.102 6.581 11.413 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.101 7.914 9.525 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.691 6.424 8.699 1.00 0.00 H new ATOM 413 N ALA A 52 -12.773 4.269 12.751 1.00 0.00 N ATOM 414 CA ALA A 52 -12.753 3.564 14.063 1.00 0.00 C ATOM 415 C ALA A 52 -11.563 4.060 14.886 1.00 0.00 C ATOM 416 O ALA A 52 -11.593 4.064 16.100 1.00 0.00 O ATOM 417 CB ALA A 52 -12.621 2.057 13.832 1.00 0.00 C ATOM 0 H ALA A 52 -12.630 3.673 11.936 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.679 3.768 14.600 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.606 1.542 14.792 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.468 1.704 13.243 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.695 1.851 13.296 1.00 0.00 H new ATOM 418 N LYS A 53 -10.514 4.482 14.233 1.00 0.00 N ATOM 419 CA LYS A 53 -9.323 4.980 14.976 1.00 0.00 C ATOM 420 C LYS A 53 -9.707 6.230 15.770 1.00 0.00 C ATOM 421 O LYS A 53 -9.193 6.475 16.844 1.00 0.00 O ATOM 422 CB LYS A 53 -8.212 5.326 13.983 1.00 0.00 C ATOM 423 CG LYS A 53 -6.949 5.726 14.750 1.00 0.00 C ATOM 424 CD LYS A 53 -5.867 6.159 13.759 1.00 0.00 C ATOM 425 CE LYS A 53 -4.554 6.393 14.509 1.00 0.00 C ATOM 426 NZ LYS A 53 -4.126 7.809 14.328 1.00 0.00 N ATOM 0 H LYS A 53 -10.431 4.503 13.217 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.970 4.209 15.660 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.005 4.470 13.340 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.530 6.142 13.334 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.172 6.540 15.440 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.594 4.888 15.350 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.731 5.393 12.995 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.173 7.071 13.246 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.684 6.173 15.569 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.784 5.718 14.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.234 7.970 14.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.987 8.003 13.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.859 8.444 14.705 1.00 0.00 H new ATOM 427 N SER A 54 -10.605 7.020 15.251 1.00 0.00 N ATOM 428 CA SER A 54 -11.022 8.252 15.978 1.00 0.00 C ATOM 429 C SER A 54 -11.649 7.865 17.319 1.00 0.00 C ATOM 430 O SER A 54 -11.615 8.618 18.272 1.00 0.00 O ATOM 431 CB SER A 54 -12.046 9.017 15.137 1.00 0.00 C ATOM 432 OG SER A 54 -12.336 10.261 15.759 1.00 0.00 O ATOM 0 H SER A 54 -11.068 6.866 14.355 1.00 0.00 H new ATOM 0 HA SER A 54 -10.151 8.884 16.154 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.656 9.183 14.133 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.958 8.429 15.032 1.00 0.00 H new ATOM 0 HG SER A 54 -12.991 10.752 15.220 1.00 0.00 H new ATOM 433 N GLN A 55 -12.223 6.696 17.399 1.00 0.00 N ATOM 434 CA GLN A 55 -12.851 6.261 18.678 1.00 0.00 C ATOM 435 C GLN A 55 -11.797 5.600 19.567 1.00 0.00 C ATOM 436 O GLN A 55 -10.665 5.487 19.124 1.00 0.00 O ATOM 437 CB GLN A 55 -13.970 5.260 18.382 1.00 0.00 C ATOM 438 CG GLN A 55 -15.102 5.965 17.632 1.00 0.00 C ATOM 439 CD GLN A 55 -16.212 4.959 17.319 1.00 0.00 C ATOM 440 OE1 GLN A 55 -15.999 3.764 17.379 1.00 0.00 O ATOM 441 NE2 GLN A 55 -17.396 5.396 16.988 1.00 0.00 N ATOM 442 OXT GLN A 55 -12.138 5.217 20.673 1.00 0.00 O ATOM 0 H GLN A 55 -12.284 6.024 16.634 1.00 0.00 H new ATOM 0 HA GLN A 55 -13.265 7.128 19.192 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -13.584 4.433 17.785 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -14.346 4.834 19.312 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -15.497 6.783 18.234 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -14.723 6.403 16.709 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -17.574 6.399 16.938 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -18.144 4.734 16.779 1.00 0.00 H new TER 443 GLN A 55