USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=7 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 -86:sc= -2.25! USER MOD Set 1.2: A 39 ASN : amide:sc= -10.5! C(o=-13!,f=-15!) USER MOD Single : A 1 LYS N :NH3+ -164:sc= -0.0663 (180deg=-0.57) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 5 GLN : amide:sc= -2.52! C(o=-2.5!,f=-4.1!) USER MOD Single : A 7 MET CE :methyl -159:sc= -0.702 (180deg=-1.62!) USER MOD Single : A 9 HIS : no HD1:sc= -2.2! C(o=-2.2!,f=-4.9!) USER MOD Single : A 12 GLN : amide:sc= -2.23! C(o=-2.2!,f=-3.3!) USER MOD Single : A 15 MET CE :methyl -147:sc= -0.497 (180deg=-2.23!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.31) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -1.91! C(o=-1.9!,f=-5.7!) 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=-0.63) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= -0.549 (180deg=-0.549) USER MOD Single : A 43 THR OG1 : rot -67:sc= 0.543 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 150:sc= -0.305 (180deg=-1.61!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -6.440 16.160 -1.805 1.00 0.00 N ATOM 2 CA LYS A 1 -7.875 16.483 -1.566 1.00 0.00 C ATOM 3 C LYS A 1 -8.569 15.281 -0.922 1.00 0.00 C ATOM 4 O LYS A 1 -9.476 15.428 -0.128 1.00 0.00 O ATOM 5 CB LYS A 1 -8.552 16.810 -2.899 1.00 0.00 C ATOM 6 CG LYS A 1 -7.915 18.064 -3.501 1.00 0.00 C ATOM 7 CD LYS A 1 -8.667 18.456 -4.774 1.00 0.00 C ATOM 8 CE LYS A 1 -7.956 19.635 -5.443 1.00 0.00 C ATOM 9 NZ LYS A 1 -8.703 20.892 -5.158 1.00 0.00 N ATOM 0 H1 LYS A 1 -5.912 17.038 -1.983 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.048 15.683 -0.968 1.00 0.00 H new ATOM 0 H3 LYS A 1 -6.358 15.533 -2.631 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.948 17.343 -0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.449 15.971 -3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.620 16.969 -2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.946 18.882 -2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.865 17.878 -3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.712 17.609 -5.458 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -9.695 18.726 -4.533 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -6.934 19.715 -5.073 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -7.893 19.473 -6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -8.220 21.693 -5.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -9.670 20.813 -5.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.741 21.048 -4.130 1.00 0.00 H new ATOM 10 N ASN A 2 -8.149 14.092 -1.257 1.00 0.00 N ATOM 11 CA ASN A 2 -8.784 12.882 -0.662 1.00 0.00 C ATOM 12 C ASN A 2 -10.275 12.868 -1.006 1.00 0.00 C ATOM 13 O ASN A 2 -11.112 12.604 -0.168 1.00 0.00 O ATOM 14 CB ASN A 2 -8.611 12.912 0.857 1.00 0.00 C ATOM 15 CG ASN A 2 -7.121 12.957 1.201 1.00 0.00 C ATOM 16 OD1 ASN A 2 -6.319 12.307 0.561 1.00 0.00 O ATOM 17 ND2 ASN A 2 -6.716 13.703 2.192 1.00 0.00 N ATOM 0 H ASN A 2 -7.394 13.906 -1.917 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.310 11.987 -1.064 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -9.118 13.782 1.274 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.072 12.031 1.303 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.725 13.741 2.430 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.391 14.248 2.729 1.00 0.00 H new ATOM 18 N GLU A 3 -10.612 13.151 -2.234 1.00 0.00 N ATOM 19 CA GLU A 3 -12.049 13.152 -2.630 1.00 0.00 C ATOM 20 C GLU A 3 -12.636 11.754 -2.423 1.00 0.00 C ATOM 21 O GLU A 3 -13.783 11.602 -2.054 1.00 0.00 O ATOM 22 CB GLU A 3 -12.172 13.544 -4.104 1.00 0.00 C ATOM 23 CG GLU A 3 -11.705 14.989 -4.288 1.00 0.00 C ATOM 24 CD GLU A 3 -11.914 15.410 -5.744 1.00 0.00 C ATOM 25 OE1 GLU A 3 -12.253 14.555 -6.545 1.00 0.00 O ATOM 26 OE2 GLU A 3 -11.732 16.581 -6.034 1.00 0.00 O ATOM 0 H GLU A 3 -9.955 13.381 -2.980 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.594 13.869 -2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.571 12.875 -4.721 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.206 13.440 -4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.262 15.650 -3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.653 15.080 -4.019 1.00 0.00 H new ATOM 27 N ASP A 4 -11.859 10.733 -2.658 1.00 0.00 N ATOM 28 CA ASP A 4 -12.375 9.348 -2.475 1.00 0.00 C ATOM 29 C ASP A 4 -12.873 9.176 -1.040 1.00 0.00 C ATOM 30 O ASP A 4 -13.820 8.459 -0.782 1.00 0.00 O ATOM 31 CB ASP A 4 -11.252 8.345 -2.748 1.00 0.00 C ATOM 32 CG ASP A 4 -11.838 6.934 -2.827 1.00 0.00 C ATOM 33 OD1 ASP A 4 -13.051 6.814 -2.779 1.00 0.00 O ATOM 34 OD2 ASP A 4 -11.063 5.997 -2.935 1.00 0.00 O ATOM 0 H ASP A 4 -10.890 10.798 -2.969 1.00 0.00 H new ATOM 0 HA ASP A 4 -13.197 9.172 -3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.747 8.593 -3.681 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.504 8.396 -1.957 1.00 0.00 H new ATOM 35 N GLN A 5 -12.247 9.832 -0.103 1.00 0.00 N ATOM 36 CA GLN A 5 -12.688 9.708 1.316 1.00 0.00 C ATOM 37 C GLN A 5 -14.114 10.247 1.452 1.00 0.00 C ATOM 38 O GLN A 5 -14.940 9.677 2.135 1.00 0.00 O ATOM 39 CB GLN A 5 -11.750 10.514 2.217 1.00 0.00 C ATOM 40 CG GLN A 5 -10.369 9.855 2.237 1.00 0.00 C ATOM 41 CD GLN A 5 -9.437 10.649 3.155 1.00 0.00 C ATOM 42 OE1 GLN A 5 -9.742 11.764 3.530 1.00 0.00 O ATOM 43 NE2 GLN A 5 -8.307 10.118 3.535 1.00 0.00 N ATOM 0 H GLN A 5 -11.449 10.449 -0.258 1.00 0.00 H new ATOM 0 HA GLN A 5 -12.663 8.660 1.614 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.670 11.538 1.853 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -12.155 10.565 3.228 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.451 8.826 2.586 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.958 9.817 1.228 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.052 9.182 3.220 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.679 10.639 4.147 1.00 0.00 H new ATOM 44 N GLU A 6 -14.407 11.341 0.805 1.00 0.00 N ATOM 45 CA GLU A 6 -15.779 11.915 0.894 1.00 0.00 C ATOM 46 C GLU A 6 -16.790 10.895 0.367 1.00 0.00 C ATOM 47 O GLU A 6 -17.861 10.727 0.917 1.00 0.00 O ATOM 48 CB GLU A 6 -15.856 13.191 0.054 1.00 0.00 C ATOM 49 CG GLU A 6 -17.221 13.851 0.251 1.00 0.00 C ATOM 50 CD GLU A 6 -17.340 15.062 -0.677 1.00 0.00 C ATOM 51 OE1 GLU A 6 -16.404 15.307 -1.420 1.00 0.00 O ATOM 52 OE2 GLU A 6 -18.365 15.722 -0.630 1.00 0.00 O ATOM 0 H GLU A 6 -13.756 11.862 0.218 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.007 12.152 1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.062 13.879 0.345 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.703 12.955 -0.999 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.016 13.137 0.038 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.340 14.161 1.289 1.00 0.00 H new ATOM 53 N MET A 7 -16.458 10.212 -0.693 1.00 0.00 N ATOM 54 CA MET A 7 -17.399 9.201 -1.252 1.00 0.00 C ATOM 55 C MET A 7 -17.606 8.084 -0.229 1.00 0.00 C ATOM 56 O MET A 7 -18.669 7.504 -0.132 1.00 0.00 O ATOM 57 CB MET A 7 -16.816 8.615 -2.539 1.00 0.00 C ATOM 58 CG MET A 7 -16.729 9.710 -3.603 1.00 0.00 C ATOM 59 SD MET A 7 -18.376 10.402 -3.892 1.00 0.00 S ATOM 60 CE MET A 7 -19.164 8.878 -4.469 1.00 0.00 C ATOM 0 H MET A 7 -15.576 10.310 -1.196 1.00 0.00 H new ATOM 0 HA MET A 7 -18.355 9.675 -1.473 1.00 0.00 H new ATOM 0 HB2 MET A 7 -15.827 8.200 -2.347 1.00 0.00 H new ATOM 0 HB3 MET A 7 -17.441 7.796 -2.895 1.00 0.00 H new ATOM 0 HG2 MET A 7 -16.045 10.494 -3.278 1.00 0.00 H new ATOM 0 HG3 MET A 7 -16.327 9.300 -4.530 1.00 0.00 H new ATOM 0 HE1 MET A 7 -20.054 9.125 -5.047 1.00 0.00 H new ATOM 0 HE2 MET A 7 -18.467 8.323 -5.096 1.00 0.00 H new ATOM 0 HE3 MET A 7 -19.446 8.267 -3.612 1.00 0.00 H new ATOM 61 N CYS A 8 -16.596 7.780 0.537 1.00 0.00 N ATOM 62 CA CYS A 8 -16.732 6.704 1.558 1.00 0.00 C ATOM 63 C CYS A 8 -17.921 7.021 2.467 1.00 0.00 C ATOM 64 O CYS A 8 -18.682 6.150 2.837 1.00 0.00 O ATOM 65 CB CYS A 8 -15.450 6.631 2.391 1.00 0.00 C ATOM 66 SG CYS A 8 -15.656 5.428 3.728 1.00 0.00 S ATOM 0 H CYS A 8 -15.682 8.230 0.500 1.00 0.00 H new ATOM 0 HA CYS A 8 -16.897 5.746 1.066 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -14.610 6.345 1.758 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -15.218 7.612 2.805 1.00 0.00 H new ATOM 67 N HIS A 9 -18.090 8.264 2.823 1.00 0.00 N ATOM 68 CA HIS A 9 -19.233 8.636 3.702 1.00 0.00 C ATOM 69 C HIS A 9 -20.511 7.970 3.185 1.00 0.00 C ATOM 70 O HIS A 9 -21.210 7.294 3.914 1.00 0.00 O ATOM 71 CB HIS A 9 -19.401 10.160 3.693 1.00 0.00 C ATOM 72 CG HIS A 9 -20.742 10.527 4.269 1.00 0.00 C ATOM 73 ND1 HIS A 9 -21.927 10.268 3.600 1.00 0.00 N ATOM 74 CD2 HIS A 9 -21.100 11.131 5.448 1.00 0.00 C ATOM 75 CE1 HIS A 9 -22.934 10.710 4.374 1.00 0.00 C ATOM 76 NE2 HIS A 9 -22.486 11.245 5.513 1.00 0.00 N ATOM 0 H HIS A 9 -17.487 9.037 2.544 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.040 8.299 4.720 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -18.605 10.626 4.274 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.316 10.539 2.674 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -20.412 11.467 6.209 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.978 10.641 4.107 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.040 11.650 6.268 1.00 0.00 H new ATOM 77 N GLU A 10 -20.824 8.158 1.932 1.00 0.00 N ATOM 78 CA GLU A 10 -22.058 7.542 1.369 1.00 0.00 C ATOM 79 C GLU A 10 -22.069 6.040 1.662 1.00 0.00 C ATOM 80 O GLU A 10 -23.113 5.440 1.821 1.00 0.00 O ATOM 81 CB GLU A 10 -22.093 7.765 -0.144 1.00 0.00 C ATOM 82 CG GLU A 10 -22.306 9.254 -0.434 1.00 0.00 C ATOM 83 CD GLU A 10 -22.564 9.451 -1.929 1.00 0.00 C ATOM 84 OE1 GLU A 10 -22.458 8.481 -2.662 1.00 0.00 O ATOM 85 OE2 GLU A 10 -22.863 10.568 -2.315 1.00 0.00 O ATOM 0 H GLU A 10 -20.277 8.713 1.273 1.00 0.00 H new ATOM 0 HA GLU A 10 -22.932 8.004 1.828 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -21.160 7.425 -0.594 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -22.895 7.178 -0.591 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -23.150 9.631 0.144 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -21.429 9.824 -0.127 1.00 0.00 H new ATOM 86 N PHE A 11 -20.920 5.424 1.735 1.00 0.00 N ATOM 87 CA PHE A 11 -20.884 3.962 2.019 1.00 0.00 C ATOM 88 C PHE A 11 -20.973 3.736 3.530 1.00 0.00 C ATOM 89 O PHE A 11 -21.078 2.618 3.993 1.00 0.00 O ATOM 90 CB PHE A 11 -19.583 3.361 1.480 1.00 0.00 C ATOM 91 CG PHE A 11 -19.910 2.316 0.440 1.00 0.00 C ATOM 92 CD1 PHE A 11 -20.942 1.401 0.676 1.00 0.00 C ATOM 93 CD2 PHE A 11 -19.189 2.264 -0.761 1.00 0.00 C ATOM 94 CE1 PHE A 11 -21.253 0.433 -0.285 1.00 0.00 C ATOM 95 CE2 PHE A 11 -19.501 1.296 -1.722 1.00 0.00 C ATOM 96 CZ PHE A 11 -20.533 0.382 -1.484 1.00 0.00 C ATOM 0 H PHE A 11 -20.010 5.867 1.611 1.00 0.00 H new ATOM 0 HA PHE A 11 -21.728 3.477 1.530 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -18.961 4.143 1.044 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -19.011 2.915 2.293 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -21.499 1.442 1.601 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -18.393 2.971 -0.944 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -22.048 -0.274 -0.102 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.945 1.254 -2.647 1.00 0.00 H new ATOM 0 HZ PHE A 11 -20.774 -0.364 -2.227 1.00 0.00 H new ATOM 97 N GLN A 12 -20.937 4.788 4.302 1.00 0.00 N ATOM 98 CA GLN A 12 -21.027 4.632 5.781 1.00 0.00 C ATOM 99 C GLN A 12 -22.461 4.260 6.162 1.00 0.00 C ATOM 100 O GLN A 12 -22.697 3.577 7.139 1.00 0.00 O ATOM 101 CB GLN A 12 -20.642 5.949 6.459 1.00 0.00 C ATOM 102 CG GLN A 12 -19.181 6.277 6.143 1.00 0.00 C ATOM 103 CD GLN A 12 -18.763 7.536 6.905 1.00 0.00 C ATOM 104 OE1 GLN A 12 -19.599 8.295 7.354 1.00 0.00 O ATOM 105 NE2 GLN A 12 -17.495 7.791 7.070 1.00 0.00 N ATOM 0 H GLN A 12 -20.849 5.749 3.972 1.00 0.00 H new ATOM 0 HA GLN A 12 -20.346 3.846 6.108 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -21.290 6.753 6.110 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -20.783 5.870 7.537 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -18.541 5.440 6.423 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -19.055 6.430 5.071 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.793 7.154 6.693 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -17.205 8.628 7.576 1.00 0.00 H new ATOM 106 N ALA A 13 -23.421 4.703 5.396 1.00 0.00 N ATOM 107 CA ALA A 13 -24.839 4.373 5.712 1.00 0.00 C ATOM 108 C ALA A 13 -25.068 2.876 5.498 1.00 0.00 C ATOM 109 O ALA A 13 -25.900 2.266 6.139 1.00 0.00 O ATOM 110 CB ALA A 13 -25.764 5.170 4.790 1.00 0.00 C ATOM 0 H ALA A 13 -23.284 5.279 4.565 1.00 0.00 H new ATOM 0 HA ALA A 13 -25.054 4.630 6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -26.802 4.930 5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -25.597 6.237 4.940 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -25.553 4.912 3.752 1.00 0.00 H new ATOM 111 N PHE A 14 -24.332 2.277 4.601 1.00 0.00 N ATOM 112 CA PHE A 14 -24.503 0.819 4.347 1.00 0.00 C ATOM 113 C PHE A 14 -23.663 0.022 5.348 1.00 0.00 C ATOM 114 O PHE A 14 -23.675 -1.191 5.357 1.00 0.00 O ATOM 115 CB PHE A 14 -24.041 0.491 2.925 1.00 0.00 C ATOM 116 CG PHE A 14 -24.973 1.139 1.928 1.00 0.00 C ATOM 117 CD1 PHE A 14 -26.183 0.519 1.595 1.00 0.00 C ATOM 118 CD2 PHE A 14 -24.625 2.359 1.336 1.00 0.00 C ATOM 119 CE1 PHE A 14 -27.046 1.119 0.670 1.00 0.00 C ATOM 120 CE2 PHE A 14 -25.488 2.959 0.411 1.00 0.00 C ATOM 121 CZ PHE A 14 -26.699 2.339 0.078 1.00 0.00 C ATOM 0 H PHE A 14 -23.619 2.735 4.033 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.554 0.554 4.461 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.023 0.848 2.771 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.027 -0.589 2.776 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -26.451 -0.422 2.052 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -23.691 2.837 1.593 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -27.980 0.640 0.413 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -25.220 3.900 -0.046 1.00 0.00 H new ATOM 0 HZ PHE A 14 -27.365 2.802 -0.635 1.00 0.00 H new ATOM 122 N MET A 15 -22.930 0.697 6.193 1.00 0.00 N ATOM 123 CA MET A 15 -22.087 -0.021 7.192 1.00 0.00 C ATOM 124 C MET A 15 -22.955 -0.454 8.376 1.00 0.00 C ATOM 125 O MET A 15 -23.761 0.305 8.877 1.00 0.00 O ATOM 126 CB MET A 15 -20.979 0.911 7.684 1.00 0.00 C ATOM 127 CG MET A 15 -19.833 0.082 8.266 1.00 0.00 C ATOM 128 SD MET A 15 -20.342 -0.621 9.855 1.00 0.00 S ATOM 129 CE MET A 15 -20.592 0.947 10.725 1.00 0.00 C ATOM 0 H MET A 15 -22.879 1.715 6.234 1.00 0.00 H new ATOM 0 HA MET A 15 -21.643 -0.902 6.728 1.00 0.00 H new ATOM 0 HB2 MET A 15 -20.615 1.526 6.861 1.00 0.00 H new ATOM 0 HB3 MET A 15 -21.371 1.591 8.441 1.00 0.00 H new ATOM 0 HG2 MET A 15 -19.559 -0.715 7.575 1.00 0.00 H new ATOM 0 HG3 MET A 15 -18.949 0.706 8.399 1.00 0.00 H new ATOM 0 HE1 MET A 15 -20.338 0.824 11.778 1.00 0.00 H new ATOM 0 HE2 MET A 15 -19.954 1.713 10.285 1.00 0.00 H new ATOM 0 HE3 MET A 15 -21.635 1.250 10.637 1.00 0.00 H new ATOM 130 N LYS A 16 -22.797 -1.669 8.826 1.00 0.00 N ATOM 131 CA LYS A 16 -23.612 -2.149 9.977 1.00 0.00 C ATOM 132 C LYS A 16 -22.755 -3.056 10.863 1.00 0.00 C ATOM 133 O LYS A 16 -21.916 -3.793 10.385 1.00 0.00 O ATOM 134 CB LYS A 16 -24.815 -2.936 9.453 1.00 0.00 C ATOM 135 CG LYS A 16 -25.776 -3.228 10.607 1.00 0.00 C ATOM 136 CD LYS A 16 -26.492 -1.938 11.012 1.00 0.00 C ATOM 137 CE LYS A 16 -27.467 -2.233 12.155 1.00 0.00 C ATOM 138 NZ LYS A 16 -28.753 -1.524 11.907 1.00 0.00 N ATOM 0 H LYS A 16 -22.139 -2.349 8.446 1.00 0.00 H new ATOM 0 HA LYS A 16 -23.961 -1.296 10.560 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -25.325 -2.366 8.676 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -24.482 -3.869 8.998 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -26.504 -3.982 10.307 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -25.228 -3.635 11.457 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -25.765 -1.188 11.324 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -27.030 -1.524 10.159 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -27.640 -3.306 12.231 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -27.039 -1.911 13.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -29.415 -1.724 12.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -28.580 -0.500 11.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -29.163 -1.852 11.009 1.00 0.00 H new ATOM 139 N ASN A 17 -22.960 -3.007 12.150 1.00 0.00 N ATOM 140 CA ASN A 17 -22.156 -3.867 13.064 1.00 0.00 C ATOM 141 C ASN A 17 -20.674 -3.750 12.701 1.00 0.00 C ATOM 142 O ASN A 17 -19.898 -4.660 12.919 1.00 0.00 O ATOM 143 CB ASN A 17 -22.601 -5.324 12.915 1.00 0.00 C ATOM 144 CG ASN A 17 -24.094 -5.439 13.228 1.00 0.00 C ATOM 145 OD1 ASN A 17 -24.564 -4.907 14.214 1.00 0.00 O ATOM 146 ND2 ASN A 17 -24.867 -6.117 12.423 1.00 0.00 N ATOM 0 H ASN A 17 -23.648 -2.410 12.608 1.00 0.00 H new ATOM 0 HA ASN A 17 -22.306 -3.543 14.094 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -22.404 -5.673 11.902 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -22.028 -5.961 13.589 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -25.864 -6.199 12.622 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -24.474 -6.564 11.595 1.00 0.00 H new ATOM 147 N GLY A 18 -20.274 -2.637 12.147 1.00 0.00 N ATOM 148 CA GLY A 18 -18.843 -2.465 11.769 1.00 0.00 C ATOM 149 C GLY A 18 -18.572 -3.213 10.463 1.00 0.00 C ATOM 150 O GLY A 18 -17.449 -3.560 10.155 1.00 0.00 O ATOM 0 H GLY A 18 -20.876 -1.840 11.940 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.611 -1.407 11.650 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -18.198 -2.846 12.560 1.00 0.00 H new ATOM 151 N LYS A 19 -19.595 -3.466 9.694 1.00 0.00 N ATOM 152 CA LYS A 19 -19.403 -4.191 8.408 1.00 0.00 C ATOM 153 C LYS A 19 -19.991 -3.361 7.265 1.00 0.00 C ATOM 154 O LYS A 19 -21.143 -2.979 7.294 1.00 0.00 O ATOM 155 CB LYS A 19 -20.117 -5.542 8.475 1.00 0.00 C ATOM 156 CG LYS A 19 -19.635 -6.433 7.328 1.00 0.00 C ATOM 157 CD LYS A 19 -20.838 -6.897 6.504 1.00 0.00 C ATOM 158 CE LYS A 19 -20.522 -8.246 5.855 1.00 0.00 C ATOM 159 NZ LYS A 19 -20.195 -8.041 4.415 1.00 0.00 N ATOM 0 H LYS A 19 -20.558 -3.201 9.902 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.339 -4.350 8.234 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.917 -6.024 9.432 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.196 -5.399 8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.937 -5.884 6.696 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.097 -7.295 7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -21.717 -6.986 7.142 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.074 -6.159 5.737 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.683 -8.719 6.365 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -21.375 -8.917 5.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -19.980 -8.958 3.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -21.008 -7.607 3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -19.369 -7.415 4.332 1.00 0.00 H new ATOM 160 N LEU A 20 -19.210 -3.080 6.259 1.00 0.00 N ATOM 161 CA LEU A 20 -19.728 -2.274 5.117 1.00 0.00 C ATOM 162 C LEU A 20 -20.522 -3.179 4.173 1.00 0.00 C ATOM 163 O LEU A 20 -19.970 -4.032 3.505 1.00 0.00 O ATOM 164 CB LEU A 20 -18.556 -1.646 4.359 1.00 0.00 C ATOM 165 CG LEU A 20 -19.064 -1.023 3.056 1.00 0.00 C ATOM 166 CD1 LEU A 20 -19.885 0.229 3.374 1.00 0.00 C ATOM 167 CD2 LEU A 20 -17.874 -0.641 2.173 1.00 0.00 C ATOM 0 H LEU A 20 -18.236 -3.373 6.178 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.378 -1.485 5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -18.077 -0.885 4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.802 -2.403 4.143 1.00 0.00 H new ATOM 0 HG LEU A 20 -19.690 -1.744 2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -20.247 0.672 2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -20.734 -0.042 4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -19.260 0.950 3.901 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -18.237 -0.198 1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.247 0.079 2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.289 -1.532 1.945 1.00 0.00 H new ATOM 168 N PHE A 21 -21.813 -3.000 4.110 1.00 0.00 N ATOM 169 CA PHE A 21 -22.639 -3.850 3.207 1.00 0.00 C ATOM 170 C PHE A 21 -22.672 -3.226 1.811 1.00 0.00 C ATOM 171 O PHE A 21 -23.153 -2.127 1.623 1.00 0.00 O ATOM 172 CB PHE A 21 -24.064 -3.948 3.755 1.00 0.00 C ATOM 173 CG PHE A 21 -24.072 -4.824 4.984 1.00 0.00 C ATOM 174 CD1 PHE A 21 -23.488 -4.368 6.172 1.00 0.00 C ATOM 175 CD2 PHE A 21 -24.661 -6.092 4.936 1.00 0.00 C ATOM 176 CE1 PHE A 21 -23.494 -5.180 7.311 1.00 0.00 C ATOM 177 CE2 PHE A 21 -24.667 -6.906 6.075 1.00 0.00 C ATOM 178 CZ PHE A 21 -24.084 -6.449 7.263 1.00 0.00 C ATOM 0 H PHE A 21 -22.331 -2.302 4.644 1.00 0.00 H new ATOM 0 HA PHE A 21 -22.204 -4.848 3.151 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -24.439 -2.955 4.001 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -24.729 -4.361 2.997 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -23.033 -3.389 6.209 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -25.111 -6.443 4.019 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -23.044 -4.828 8.227 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -25.121 -7.885 6.037 1.00 0.00 H new ATOM 0 HZ PHE A 21 -24.089 -7.075 8.143 1.00 0.00 H new ATOM 179 N CYS A 22 -22.161 -3.918 0.830 1.00 0.00 N ATOM 180 CA CYS A 22 -22.163 -3.363 -0.552 1.00 0.00 C ATOM 181 C CYS A 22 -23.524 -3.622 -1.204 1.00 0.00 C ATOM 182 O CYS A 22 -23.903 -4.752 -1.442 1.00 0.00 O ATOM 183 CB CYS A 22 -21.065 -4.042 -1.370 1.00 0.00 C ATOM 184 SG CYS A 22 -20.252 -2.814 -2.422 1.00 0.00 S ATOM 0 H CYS A 22 -21.742 -4.843 0.926 1.00 0.00 H new ATOM 0 HA CYS A 22 -21.979 -2.289 -0.516 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -20.337 -4.507 -0.706 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -21.491 -4.837 -1.982 1.00 0.00 H new ATOM 185 N PRO A 23 -24.272 -2.547 -1.491 1.00 0.00 N ATOM 186 CA PRO A 23 -25.598 -2.645 -2.110 1.00 0.00 C ATOM 187 C PRO A 23 -25.511 -3.044 -3.587 1.00 0.00 C ATOM 188 O PRO A 23 -24.476 -3.459 -4.069 1.00 0.00 O ATOM 189 CB PRO A 23 -26.157 -1.229 -1.987 1.00 0.00 C ATOM 190 CG PRO A 23 -24.956 -0.350 -1.909 1.00 0.00 C ATOM 191 CD PRO A 23 -23.879 -1.152 -1.231 1.00 0.00 C ATOM 0 HA PRO A 23 -26.215 -3.406 -1.632 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -26.779 -0.974 -2.845 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -26.781 -1.126 -1.099 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -24.639 -0.039 -2.904 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -25.176 0.557 -1.346 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -22.894 -0.929 -1.642 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -23.834 -0.940 -0.163 1.00 0.00 H new ATOM 192 N GLN A 24 -26.593 -2.919 -4.308 1.00 0.00 N ATOM 193 CA GLN A 24 -26.576 -3.289 -5.750 1.00 0.00 C ATOM 194 C GLN A 24 -25.759 -2.259 -6.533 1.00 0.00 C ATOM 195 O GLN A 24 -25.215 -2.550 -7.580 1.00 0.00 O ATOM 196 CB GLN A 24 -28.008 -3.315 -6.287 1.00 0.00 C ATOM 197 CG GLN A 24 -28.802 -4.410 -5.572 1.00 0.00 C ATOM 198 CD GLN A 24 -30.255 -4.379 -6.048 1.00 0.00 C ATOM 199 OE1 GLN A 24 -30.693 -3.409 -6.634 1.00 0.00 O ATOM 200 NE2 GLN A 24 -31.024 -5.408 -5.821 1.00 0.00 N ATOM 0 H GLN A 24 -27.488 -2.576 -3.959 1.00 0.00 H new ATOM 0 HA GLN A 24 -26.125 -4.275 -5.865 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -28.483 -2.346 -6.132 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -28.001 -3.499 -7.361 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -28.362 -5.386 -5.777 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -28.758 -4.260 -4.493 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -30.655 -6.222 -5.329 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -31.994 -5.399 -6.136 1.00 0.00 H new ATOM 201 N ASP A 25 -25.671 -1.055 -6.037 1.00 0.00 N ATOM 202 CA ASP A 25 -24.892 -0.009 -6.757 1.00 0.00 C ATOM 203 C ASP A 25 -25.557 0.280 -8.104 1.00 0.00 C ATOM 204 O ASP A 25 -24.950 0.145 -9.149 1.00 0.00 O ATOM 205 CB ASP A 25 -23.464 -0.507 -6.989 1.00 0.00 C ATOM 206 CG ASP A 25 -22.844 -0.919 -5.652 1.00 0.00 C ATOM 207 OD1 ASP A 25 -23.320 -0.450 -4.631 1.00 0.00 O ATOM 208 OD2 ASP A 25 -21.903 -1.696 -5.671 1.00 0.00 O ATOM 0 H ASP A 25 -26.105 -0.751 -5.165 1.00 0.00 H new ATOM 0 HA ASP A 25 -24.866 0.903 -6.160 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -23.470 -1.354 -7.676 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -22.865 0.276 -7.454 1.00 0.00 H new ATOM 209 N LYS A 26 -26.801 0.673 -8.089 1.00 0.00 N ATOM 210 CA LYS A 26 -27.506 0.968 -9.368 1.00 0.00 C ATOM 211 C LYS A 26 -26.876 2.194 -10.031 1.00 0.00 C ATOM 212 O LYS A 26 -26.848 2.311 -11.239 1.00 0.00 O ATOM 213 CB LYS A 26 -28.984 1.248 -9.082 1.00 0.00 C ATOM 214 CG LYS A 26 -29.668 -0.038 -8.614 1.00 0.00 C ATOM 215 CD LYS A 26 -31.172 0.205 -8.483 1.00 0.00 C ATOM 216 CE LYS A 26 -31.820 -0.974 -7.755 1.00 0.00 C ATOM 217 NZ LYS A 26 -33.064 -0.515 -7.076 1.00 0.00 N ATOM 0 H LYS A 26 -27.360 0.803 -7.246 1.00 0.00 H new ATOM 0 HA LYS A 26 -27.419 0.110 -10.035 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -29.077 2.020 -8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -29.473 1.626 -9.979 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -29.479 -0.843 -9.325 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -29.255 -0.355 -7.656 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -31.355 1.129 -7.935 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -31.619 0.326 -9.470 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -32.052 -1.770 -8.463 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -31.126 -1.390 -7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -33.505 -1.316 -6.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -32.830 0.230 -6.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -33.727 -0.138 -7.783 1.00 0.00 H new ATOM 218 N LYS A 27 -26.373 3.108 -9.249 1.00 0.00 N ATOM 219 CA LYS A 27 -25.749 4.327 -9.837 1.00 0.00 C ATOM 220 C LYS A 27 -24.268 4.060 -10.117 1.00 0.00 C ATOM 221 O LYS A 27 -23.500 3.774 -9.221 1.00 0.00 O ATOM 222 CB LYS A 27 -25.881 5.491 -8.853 1.00 0.00 C ATOM 223 CG LYS A 27 -27.317 5.552 -8.325 1.00 0.00 C ATOM 224 CD LYS A 27 -27.297 5.668 -6.799 1.00 0.00 C ATOM 225 CE LYS A 27 -28.554 5.016 -6.220 1.00 0.00 C ATOM 226 NZ LYS A 27 -28.171 4.108 -5.103 1.00 0.00 N ATOM 0 H LYS A 27 -26.367 3.064 -8.230 1.00 0.00 H new ATOM 0 HA LYS A 27 -26.254 4.580 -10.770 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -25.183 5.363 -8.026 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -25.623 6.429 -9.345 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -27.839 6.405 -8.758 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -27.864 4.658 -8.625 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -26.406 5.184 -6.399 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -27.250 6.716 -6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -29.242 5.782 -5.861 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -29.077 4.456 -6.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -29.025 3.664 -4.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -27.530 3.370 -5.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -27.690 4.655 -4.360 1.00 0.00 H new ATOM 227 N PRO A 28 -23.865 4.155 -11.393 1.00 0.00 N ATOM 228 CA PRO A 28 -22.475 3.923 -11.805 1.00 0.00 C ATOM 229 C PRO A 28 -21.541 5.033 -11.311 1.00 0.00 C ATOM 230 O PRO A 28 -21.865 6.202 -11.365 1.00 0.00 O ATOM 231 CB PRO A 28 -22.546 3.939 -13.333 1.00 0.00 C ATOM 232 CG PRO A 28 -23.753 4.758 -13.643 1.00 0.00 C ATOM 233 CD PRO A 28 -24.733 4.496 -12.535 1.00 0.00 C ATOM 0 HA PRO A 28 -22.076 2.996 -11.394 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -21.647 4.377 -13.767 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -22.636 2.931 -13.737 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -23.501 5.817 -13.698 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -24.174 4.480 -14.609 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -25.348 5.371 -12.326 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -25.412 3.680 -12.782 1.00 0.00 H new ATOM 234 N ILE A 29 -20.384 4.671 -10.826 1.00 0.00 N ATOM 235 CA ILE A 29 -19.427 5.696 -10.324 1.00 0.00 C ATOM 236 C ILE A 29 -18.033 5.383 -10.875 1.00 0.00 C ATOM 237 O ILE A 29 -17.478 4.339 -10.620 1.00 0.00 O ATOM 238 CB ILE A 29 -19.433 5.670 -8.778 1.00 0.00 C ATOM 239 CG1 ILE A 29 -20.284 6.830 -8.261 1.00 0.00 C ATOM 240 CG2 ILE A 29 -18.013 5.804 -8.206 1.00 0.00 C ATOM 241 CD1 ILE A 29 -19.540 8.146 -8.498 1.00 0.00 C ATOM 0 H ILE A 29 -20.060 3.706 -10.756 1.00 0.00 H new ATOM 0 HA ILE A 29 -19.716 6.693 -10.656 1.00 0.00 H new ATOM 0 HB ILE A 29 -19.845 4.713 -8.457 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -21.247 6.846 -8.772 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -20.489 6.701 -7.198 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -18.056 5.782 -7.117 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -17.398 4.978 -8.562 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.577 6.748 -8.533 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -20.143 8.976 -8.131 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -18.588 8.127 -7.967 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -19.358 8.274 -9.565 1.00 0.00 H new ATOM 242 N GLN A 30 -17.454 6.277 -11.621 1.00 0.00 N ATOM 243 CA GLN A 30 -16.095 6.004 -12.157 1.00 0.00 C ATOM 244 C GLN A 30 -15.073 6.287 -11.058 1.00 0.00 C ATOM 245 O GLN A 30 -14.701 7.418 -10.818 1.00 0.00 O ATOM 246 CB GLN A 30 -15.824 6.901 -13.364 1.00 0.00 C ATOM 247 CG GLN A 30 -17.018 6.848 -14.318 1.00 0.00 C ATOM 248 CD GLN A 30 -16.691 7.636 -15.589 1.00 0.00 C ATOM 249 OE1 GLN A 30 -15.983 8.621 -15.540 1.00 0.00 O ATOM 250 NE2 GLN A 30 -17.182 7.240 -16.732 1.00 0.00 N ATOM 0 H GLN A 30 -17.858 7.177 -11.881 1.00 0.00 H new ATOM 0 HA GLN A 30 -16.021 4.963 -12.473 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -15.652 7.926 -13.037 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -14.920 6.574 -13.878 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -17.251 5.813 -14.569 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -17.902 7.266 -13.835 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -17.777 6.412 -16.772 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -16.971 7.758 -17.585 1.00 0.00 H new ATOM 251 N SER A 31 -14.632 5.268 -10.374 1.00 0.00 N ATOM 252 CA SER A 31 -13.653 5.482 -9.272 1.00 0.00 C ATOM 253 C SER A 31 -12.244 5.652 -9.842 1.00 0.00 C ATOM 254 O SER A 31 -12.059 5.860 -11.024 1.00 0.00 O ATOM 255 CB SER A 31 -13.680 4.281 -8.330 1.00 0.00 C ATOM 256 OG SER A 31 -12.607 3.405 -8.645 1.00 0.00 O ATOM 0 H SER A 31 -14.907 4.298 -10.530 1.00 0.00 H new ATOM 0 HA SER A 31 -13.925 6.385 -8.726 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.598 4.615 -7.296 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.631 3.756 -8.421 1.00 0.00 H new ATOM 0 HG SER A 31 -12.886 2.787 -9.352 1.00 0.00 H new ATOM 257 N LEU A 32 -11.253 5.593 -8.996 1.00 0.00 N ATOM 258 CA LEU A 32 -9.853 5.781 -9.469 1.00 0.00 C ATOM 259 C LEU A 32 -9.052 4.490 -9.287 1.00 0.00 C ATOM 260 O LEU A 32 -8.021 4.298 -9.900 1.00 0.00 O ATOM 261 CB LEU A 32 -9.190 6.892 -8.649 1.00 0.00 C ATOM 262 CG LEU A 32 -9.983 8.198 -8.782 1.00 0.00 C ATOM 263 CD1 LEU A 32 -11.349 8.057 -8.105 1.00 0.00 C ATOM 264 CD2 LEU A 32 -9.206 9.322 -8.099 1.00 0.00 C ATOM 0 H LEU A 32 -11.353 5.422 -7.995 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.871 6.047 -10.526 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.136 6.597 -7.601 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.166 7.044 -8.991 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.128 8.423 -9.839 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.903 8.990 -8.206 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.908 7.250 -8.579 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.210 7.830 -7.048 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.762 10.255 -8.188 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.069 9.081 -7.045 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.232 9.433 -8.576 1.00 0.00 H new ATOM 265 N ASP A 33 -9.509 3.608 -8.442 1.00 0.00 N ATOM 266 CA ASP A 33 -8.762 2.337 -8.216 1.00 0.00 C ATOM 267 C ASP A 33 -8.863 1.440 -9.454 1.00 0.00 C ATOM 268 O ASP A 33 -8.300 0.364 -9.496 1.00 0.00 O ATOM 269 CB ASP A 33 -9.360 1.605 -7.013 1.00 0.00 C ATOM 270 CG ASP A 33 -8.528 0.357 -6.709 1.00 0.00 C ATOM 271 OD1 ASP A 33 -7.420 0.271 -7.213 1.00 0.00 O ATOM 272 OD2 ASP A 33 -9.014 -0.490 -5.977 1.00 0.00 O ATOM 0 H ASP A 33 -10.366 3.711 -7.899 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.714 2.569 -8.026 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.377 2.264 -6.145 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.393 1.325 -7.221 1.00 0.00 H new ATOM 273 N GLY A 34 -9.578 1.866 -10.457 1.00 0.00 N ATOM 274 CA GLY A 34 -9.715 1.027 -11.679 1.00 0.00 C ATOM 275 C GLY A 34 -11.020 0.239 -11.590 1.00 0.00 C ATOM 276 O GLY A 34 -11.249 -0.694 -12.334 1.00 0.00 O ATOM 0 H GLY A 34 -10.073 2.758 -10.483 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.713 1.655 -12.570 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.868 0.346 -11.767 1.00 0.00 H new ATOM 277 N ILE A 35 -11.879 0.611 -10.680 1.00 0.00 N ATOM 278 CA ILE A 35 -13.174 -0.111 -10.535 1.00 0.00 C ATOM 279 C ILE A 35 -14.323 0.874 -10.739 1.00 0.00 C ATOM 280 O ILE A 35 -14.172 2.066 -10.563 1.00 0.00 O ATOM 281 CB ILE A 35 -13.272 -0.718 -9.133 1.00 0.00 C ATOM 282 CG1 ILE A 35 -11.878 -1.121 -8.646 1.00 0.00 C ATOM 283 CG2 ILE A 35 -14.171 -1.953 -9.177 1.00 0.00 C ATOM 284 CD1 ILE A 35 -11.955 -1.546 -7.177 1.00 0.00 C ATOM 0 H ILE A 35 -11.739 1.385 -10.030 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.231 -0.906 -11.278 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.694 0.019 -8.449 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.491 -1.940 -9.253 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.186 -0.286 -8.759 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.242 -2.387 -8.180 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -15.165 -1.667 -9.520 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.748 -2.687 -9.863 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.963 -1.833 -6.829 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.324 -0.714 -6.576 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.634 -2.393 -7.078 1.00 0.00 H new ATOM 285 N MET A 36 -15.475 0.386 -11.107 1.00 0.00 N ATOM 286 CA MET A 36 -16.634 1.296 -11.318 1.00 0.00 C ATOM 287 C MET A 36 -17.491 1.327 -10.050 1.00 0.00 C ATOM 288 O MET A 36 -18.222 0.400 -9.763 1.00 0.00 O ATOM 289 CB MET A 36 -17.476 0.786 -12.488 1.00 0.00 C ATOM 290 CG MET A 36 -16.716 1.000 -13.798 1.00 0.00 C ATOM 291 SD MET A 36 -17.787 0.567 -15.192 1.00 0.00 S ATOM 292 CE MET A 36 -16.531 0.679 -16.491 1.00 0.00 C ATOM 0 H MET A 36 -15.663 -0.603 -11.271 1.00 0.00 H new ATOM 0 HA MET A 36 -16.273 2.300 -11.541 1.00 0.00 H new ATOM 0 HB2 MET A 36 -17.700 -0.272 -12.354 1.00 0.00 H new ATOM 0 HB3 MET A 36 -18.430 1.312 -12.519 1.00 0.00 H new ATOM 0 HG2 MET A 36 -16.396 2.039 -13.880 1.00 0.00 H new ATOM 0 HG3 MET A 36 -15.815 0.387 -13.813 1.00 0.00 H new ATOM 0 HE1 MET A 36 -16.983 0.446 -17.455 1.00 0.00 H new ATOM 0 HE2 MET A 36 -16.123 1.689 -16.517 1.00 0.00 H new ATOM 0 HE3 MET A 36 -15.730 -0.031 -16.285 1.00 0.00 H new ATOM 293 N PHE A 37 -17.404 2.387 -9.291 1.00 0.00 N ATOM 294 CA PHE A 37 -18.212 2.498 -8.040 1.00 0.00 C ATOM 295 C PHE A 37 -17.722 1.481 -7.012 1.00 0.00 C ATOM 296 O PHE A 37 -17.361 1.835 -5.906 1.00 0.00 O ATOM 297 CB PHE A 37 -19.689 2.252 -8.356 1.00 0.00 C ATOM 298 CG PHE A 37 -20.496 2.369 -7.086 1.00 0.00 C ATOM 299 CD1 PHE A 37 -20.377 1.392 -6.091 1.00 0.00 C ATOM 300 CD2 PHE A 37 -21.359 3.456 -6.899 1.00 0.00 C ATOM 301 CE1 PHE A 37 -21.119 1.500 -4.911 1.00 0.00 C ATOM 302 CE2 PHE A 37 -22.103 3.564 -5.717 1.00 0.00 C ATOM 303 CZ PHE A 37 -21.982 2.586 -4.722 1.00 0.00 C ATOM 0 H PHE A 37 -16.803 3.188 -9.485 1.00 0.00 H new ATOM 0 HA PHE A 37 -18.097 3.500 -7.627 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -20.041 2.975 -9.092 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -19.819 1.262 -8.794 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -19.711 0.554 -6.235 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -21.451 4.211 -7.666 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -21.026 0.745 -4.144 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -22.770 4.401 -5.573 1.00 0.00 H new ATOM 0 HZ PHE A 37 -22.554 2.669 -3.810 1.00 0.00 H new ATOM 304 N ILE A 38 -17.710 0.225 -7.364 1.00 0.00 N ATOM 305 CA ILE A 38 -17.242 -0.822 -6.410 1.00 0.00 C ATOM 306 C ILE A 38 -16.027 -0.300 -5.644 1.00 0.00 C ATOM 307 O ILE A 38 -15.793 -0.665 -4.509 1.00 0.00 O ATOM 308 CB ILE A 38 -16.855 -2.082 -7.187 1.00 0.00 C ATOM 309 CG1 ILE A 38 -18.109 -2.715 -7.794 1.00 0.00 C ATOM 310 CG2 ILE A 38 -16.188 -3.083 -6.241 1.00 0.00 C ATOM 311 CD1 ILE A 38 -17.744 -4.049 -8.445 1.00 0.00 C ATOM 0 H ILE A 38 -18.006 -0.124 -8.276 1.00 0.00 H new ATOM 0 HA ILE A 38 -18.040 -1.061 -5.707 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.160 -1.815 -7.983 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -18.862 -2.870 -7.021 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -18.546 -2.045 -8.534 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -15.913 -3.980 -6.796 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -15.293 -2.635 -5.809 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -16.882 -3.348 -5.444 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -18.638 -4.499 -8.877 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -17.006 -3.881 -9.230 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -17.327 -4.719 -7.693 1.00 0.00 H new ATOM 312 N ASN A 39 -15.259 0.567 -6.248 1.00 0.00 N ATOM 313 CA ASN A 39 -14.072 1.122 -5.540 1.00 0.00 C ATOM 314 C ASN A 39 -14.537 1.758 -4.233 1.00 0.00 C ATOM 315 O ASN A 39 -14.107 1.381 -3.161 1.00 0.00 O ATOM 316 CB ASN A 39 -13.400 2.186 -6.408 1.00 0.00 C ATOM 317 CG ASN A 39 -11.973 2.425 -5.907 1.00 0.00 C ATOM 318 OD1 ASN A 39 -11.348 1.527 -5.379 1.00 0.00 O ATOM 319 ND2 ASN A 39 -11.426 3.605 -6.049 1.00 0.00 N ATOM 0 H ASN A 39 -15.402 0.913 -7.197 1.00 0.00 H new ATOM 0 HA ASN A 39 -13.358 0.324 -5.339 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.382 1.864 -7.449 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -13.970 3.114 -6.371 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.476 3.770 -5.717 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.950 4.360 -6.492 1.00 0.00 H new ATOM 320 N LYS A 40 -15.423 2.716 -4.312 1.00 0.00 N ATOM 321 CA LYS A 40 -15.921 3.362 -3.068 1.00 0.00 C ATOM 322 C LYS A 40 -16.245 2.266 -2.054 1.00 0.00 C ATOM 323 O LYS A 40 -16.120 2.446 -0.859 1.00 0.00 O ATOM 324 CB LYS A 40 -17.187 4.164 -3.376 1.00 0.00 C ATOM 325 CG LYS A 40 -16.893 5.177 -4.485 1.00 0.00 C ATOM 326 CD LYS A 40 -15.721 6.068 -4.067 1.00 0.00 C ATOM 327 CE LYS A 40 -15.521 7.170 -5.109 1.00 0.00 C ATOM 328 NZ LYS A 40 -14.888 6.591 -6.328 1.00 0.00 N ATOM 0 H LYS A 40 -15.820 3.076 -5.180 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.164 4.036 -2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.989 3.493 -3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.530 4.680 -2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.655 4.657 -5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.776 5.786 -4.678 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.916 6.508 -3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.813 5.472 -3.973 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -16.479 7.623 -5.364 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -14.893 7.962 -4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.752 7.339 -7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.967 6.179 -6.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -15.504 5.850 -6.720 1.00 0.00 H new ATOM 329 N CYS A 41 -16.651 1.124 -2.535 1.00 0.00 N ATOM 330 CA CYS A 41 -16.979 -0.010 -1.629 1.00 0.00 C ATOM 331 C CYS A 41 -15.680 -0.681 -1.185 1.00 0.00 C ATOM 332 O CYS A 41 -15.506 -1.035 -0.036 1.00 0.00 O ATOM 333 CB CYS A 41 -17.827 -1.023 -2.397 1.00 0.00 C ATOM 334 SG CYS A 41 -18.805 -2.023 -1.250 1.00 0.00 S ATOM 0 H CYS A 41 -16.771 0.927 -3.529 1.00 0.00 H new ATOM 0 HA CYS A 41 -17.526 0.351 -0.758 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -18.488 -0.503 -3.090 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -17.183 -1.668 -2.994 1.00 0.00 H new ATOM 335 N ALA A 42 -14.769 -0.862 -2.102 1.00 0.00 N ATOM 336 CA ALA A 42 -13.475 -1.517 -1.761 1.00 0.00 C ATOM 337 C ALA A 42 -12.566 -0.534 -1.016 1.00 0.00 C ATOM 338 O ALA A 42 -11.656 -0.930 -0.316 1.00 0.00 O ATOM 339 CB ALA A 42 -12.784 -1.968 -3.050 1.00 0.00 C ATOM 0 H ALA A 42 -14.867 -0.583 -3.078 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.668 -2.378 -1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.836 -2.448 -2.806 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.424 -2.675 -3.578 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.599 -1.102 -3.686 1.00 0.00 H new ATOM 340 N THR A 43 -12.796 0.742 -1.162 1.00 0.00 N ATOM 341 CA THR A 43 -11.932 1.736 -0.461 1.00 0.00 C ATOM 342 C THR A 43 -12.635 2.232 0.803 1.00 0.00 C ATOM 343 O THR A 43 -12.054 2.279 1.869 1.00 0.00 O ATOM 344 CB THR A 43 -11.658 2.922 -1.389 1.00 0.00 C ATOM 345 OG1 THR A 43 -12.887 3.417 -1.899 1.00 0.00 O ATOM 346 CG2 THR A 43 -10.765 2.471 -2.547 1.00 0.00 C ATOM 0 H THR A 43 -13.542 1.139 -1.734 1.00 0.00 H new ATOM 0 HA THR A 43 -10.990 1.261 -0.188 1.00 0.00 H new ATOM 0 HB THR A 43 -11.153 3.711 -0.831 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.291 2.745 -2.487 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.571 3.316 -3.207 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.821 2.094 -2.153 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.266 1.681 -3.107 1.00 0.00 H new ATOM 347 N CYS A 44 -13.880 2.608 0.696 1.00 0.00 N ATOM 348 CA CYS A 44 -14.610 3.103 1.894 1.00 0.00 C ATOM 349 C CYS A 44 -14.555 2.049 3.001 1.00 0.00 C ATOM 350 O CYS A 44 -14.672 2.359 4.168 1.00 0.00 O ATOM 351 CB CYS A 44 -16.068 3.383 1.530 1.00 0.00 C ATOM 352 SG CYS A 44 -16.930 4.053 2.974 1.00 0.00 S ATOM 0 H CYS A 44 -14.421 2.593 -0.168 1.00 0.00 H new ATOM 0 HA CYS A 44 -14.142 4.023 2.245 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -16.118 4.090 0.702 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -16.554 2.466 1.196 1.00 0.00 H new ATOM 353 N LYS A 45 -14.375 0.805 2.647 1.00 0.00 N ATOM 354 CA LYS A 45 -14.311 -0.257 3.691 1.00 0.00 C ATOM 355 C LYS A 45 -13.069 -0.039 4.555 1.00 0.00 C ATOM 356 O LYS A 45 -13.145 0.022 5.766 1.00 0.00 O ATOM 357 CB LYS A 45 -14.239 -1.633 3.027 1.00 0.00 C ATOM 358 CG LYS A 45 -14.452 -2.719 4.084 1.00 0.00 C ATOM 359 CD LYS A 45 -14.480 -4.091 3.410 1.00 0.00 C ATOM 360 CE LYS A 45 -14.745 -5.171 4.462 1.00 0.00 C ATOM 361 NZ LYS A 45 -14.730 -6.512 3.812 1.00 0.00 N ATOM 0 H LYS A 45 -14.270 0.480 1.686 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.204 -0.208 4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.998 -1.714 2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.271 -1.765 2.543 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.653 -2.682 4.824 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.387 -2.545 4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.255 -4.116 2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.531 -4.281 2.909 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.987 -5.126 5.244 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.709 -4.998 4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.910 -7.246 4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.469 -6.552 3.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.801 -6.675 3.374 1.00 0.00 H new ATOM 362 N MET A 46 -11.925 0.087 3.941 1.00 0.00 N ATOM 363 CA MET A 46 -10.681 0.311 4.729 1.00 0.00 C ATOM 364 C MET A 46 -10.657 1.758 5.220 1.00 0.00 C ATOM 365 O MET A 46 -10.058 2.075 6.229 1.00 0.00 O ATOM 366 CB MET A 46 -9.460 0.047 3.846 1.00 0.00 C ATOM 367 CG MET A 46 -9.496 -1.398 3.345 1.00 0.00 C ATOM 368 SD MET A 46 -7.992 -1.748 2.402 1.00 0.00 S ATOM 369 CE MET A 46 -6.824 -1.614 3.778 1.00 0.00 C ATOM 0 H MET A 46 -11.798 0.045 2.930 1.00 0.00 H new ATOM 0 HA MET A 46 -10.658 -0.367 5.582 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.453 0.736 3.001 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.545 0.225 4.410 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.577 -2.084 4.188 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.375 -1.555 2.720 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.973 -2.270 3.598 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.477 -0.584 3.862 1.00 0.00 H new ATOM 0 HE3 MET A 46 -7.318 -1.907 4.704 1.00 0.00 H new ATOM 370 N ILE A 47 -11.314 2.640 4.515 1.00 0.00 N ATOM 371 CA ILE A 47 -11.341 4.067 4.939 1.00 0.00 C ATOM 372 C ILE A 47 -12.444 4.261 5.982 1.00 0.00 C ATOM 373 O ILE A 47 -12.393 5.162 6.795 1.00 0.00 O ATOM 374 CB ILE A 47 -11.625 4.954 3.723 1.00 0.00 C ATOM 375 CG1 ILE A 47 -10.507 4.784 2.694 1.00 0.00 C ATOM 376 CG2 ILE A 47 -11.692 6.418 4.163 1.00 0.00 C ATOM 377 CD1 ILE A 47 -10.888 5.509 1.401 1.00 0.00 C ATOM 0 H ILE A 47 -11.834 2.432 3.662 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.378 4.341 5.370 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.577 4.663 3.278 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.573 5.185 3.087 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.340 3.726 2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.894 7.049 3.298 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.489 6.541 4.896 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.741 6.708 4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.091 5.388 0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.812 5.087 1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.033 6.569 1.608 1.00 0.00 H new ATOM 378 N LEU A 48 -13.441 3.418 5.965 1.00 0.00 N ATOM 379 CA LEU A 48 -14.547 3.548 6.955 1.00 0.00 C ATOM 380 C LEU A 48 -14.105 2.935 8.285 1.00 0.00 C ATOM 381 O LEU A 48 -14.636 3.248 9.331 1.00 0.00 O ATOM 382 CB LEU A 48 -15.785 2.812 6.434 1.00 0.00 C ATOM 383 CG LEU A 48 -16.934 2.948 7.438 1.00 0.00 C ATOM 384 CD1 LEU A 48 -17.033 4.400 7.914 1.00 0.00 C ATOM 385 CD2 LEU A 48 -18.247 2.547 6.762 1.00 0.00 C ATOM 0 H LEU A 48 -13.537 2.644 5.307 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.789 4.601 7.102 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.083 3.222 5.469 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.553 1.759 6.275 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.746 2.298 8.293 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.851 4.494 8.628 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.098 4.690 8.393 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.220 5.051 7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -19.067 2.643 7.474 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -18.430 3.199 5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -18.180 1.513 6.422 1.00 0.00 H new ATOM 386 N GLU A 49 -13.130 2.067 8.252 1.00 0.00 N ATOM 387 CA GLU A 49 -12.648 1.440 9.513 1.00 0.00 C ATOM 388 C GLU A 49 -11.783 2.445 10.274 1.00 0.00 C ATOM 389 O GLU A 49 -11.715 2.429 11.487 1.00 0.00 O ATOM 390 CB GLU A 49 -11.818 0.198 9.181 1.00 0.00 C ATOM 391 CG GLU A 49 -12.743 -0.918 8.692 1.00 0.00 C ATOM 392 CD GLU A 49 -11.918 -2.174 8.402 1.00 0.00 C ATOM 393 OE1 GLU A 49 -10.705 -2.097 8.496 1.00 0.00 O ATOM 394 OE2 GLU A 49 -12.515 -3.193 8.093 1.00 0.00 O ATOM 0 H GLU A 49 -12.647 1.766 7.405 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.500 1.150 10.128 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.080 0.435 8.415 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.268 -0.131 10.063 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.500 -1.133 9.446 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.270 -0.600 7.792 1.00 0.00 H new ATOM 395 N LYS A 50 -11.123 3.322 9.568 1.00 0.00 N ATOM 396 CA LYS A 50 -10.264 4.332 10.248 1.00 0.00 C ATOM 397 C LYS A 50 -11.124 5.166 11.200 1.00 0.00 C ATOM 398 O LYS A 50 -10.694 5.543 12.272 1.00 0.00 O ATOM 399 CB LYS A 50 -9.626 5.247 9.201 1.00 0.00 C ATOM 400 CG LYS A 50 -8.740 4.418 8.271 1.00 0.00 C ATOM 401 CD LYS A 50 -8.090 5.336 7.233 1.00 0.00 C ATOM 402 CE LYS A 50 -7.261 4.498 6.257 1.00 0.00 C ATOM 403 NZ LYS A 50 -6.519 5.401 5.332 1.00 0.00 N ATOM 0 H LYS A 50 -11.142 3.383 8.550 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.480 3.826 10.812 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.400 5.755 8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.034 6.020 9.691 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.972 3.902 8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.334 3.652 7.773 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.857 5.891 6.692 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.455 6.070 7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.561 3.868 6.806 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.911 3.833 5.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.956 4.832 4.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.196 5.984 4.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.887 6.018 5.882 1.00 0.00 H new ATOM 404 N GLU A 51 -12.338 5.455 10.816 1.00 0.00 N ATOM 405 CA GLU A 51 -13.227 6.260 11.700 1.00 0.00 C ATOM 406 C GLU A 51 -13.395 5.539 13.038 1.00 0.00 C ATOM 407 O GLU A 51 -13.548 6.157 14.074 1.00 0.00 O ATOM 408 CB GLU A 51 -14.595 6.429 11.035 1.00 0.00 C ATOM 409 CG GLU A 51 -14.438 7.238 9.746 1.00 0.00 C ATOM 410 CD GLU A 51 -13.894 8.628 10.078 1.00 0.00 C ATOM 411 OE1 GLU A 51 -13.942 9.000 11.239 1.00 0.00 O ATOM 412 OE2 GLU A 51 -13.438 9.298 9.166 1.00 0.00 O ATOM 0 H GLU A 51 -12.752 5.168 9.929 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.784 7.242 11.866 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.027 5.453 10.814 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.281 6.935 11.714 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.761 6.725 9.062 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.399 7.324 9.239 1.00 0.00 H new ATOM 413 N ALA A 52 -13.366 4.234 13.026 1.00 0.00 N ATOM 414 CA ALA A 52 -13.521 3.472 14.296 1.00 0.00 C ATOM 415 C ALA A 52 -12.380 3.837 15.247 1.00 0.00 C ATOM 416 O ALA A 52 -12.521 3.783 16.453 1.00 0.00 O ATOM 417 CB ALA A 52 -13.479 1.972 14.001 1.00 0.00 C ATOM 0 H ALA A 52 -13.241 3.663 12.190 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.476 3.723 14.757 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.592 1.415 14.931 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.290 1.712 13.321 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.524 1.718 13.540 1.00 0.00 H new ATOM 418 N LYS A 53 -11.250 4.212 14.713 1.00 0.00 N ATOM 419 CA LYS A 53 -10.101 4.583 15.585 1.00 0.00 C ATOM 420 C LYS A 53 -10.500 5.759 16.479 1.00 0.00 C ATOM 421 O LYS A 53 -10.081 5.859 17.614 1.00 0.00 O ATOM 422 CB LYS A 53 -8.909 4.986 14.714 1.00 0.00 C ATOM 423 CG LYS A 53 -8.423 3.772 13.919 1.00 0.00 C ATOM 424 CD LYS A 53 -7.150 4.139 13.155 1.00 0.00 C ATOM 425 CE LYS A 53 -6.735 2.967 12.262 1.00 0.00 C ATOM 426 NZ LYS A 53 -5.364 2.519 12.636 1.00 0.00 N ATOM 0 H LYS A 53 -11.073 4.277 13.711 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.825 3.731 16.206 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.197 5.788 14.034 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.103 5.371 15.338 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.228 2.937 14.592 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.196 3.446 13.223 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.320 5.029 12.549 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.349 4.378 13.855 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.441 2.144 12.373 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.758 3.268 11.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.081 1.723 12.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.695 3.305 12.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.357 2.216 13.631 1.00 0.00 H new ATOM 427 N SER A 54 -11.308 6.650 15.973 1.00 0.00 N ATOM 428 CA SER A 54 -11.734 7.818 16.793 1.00 0.00 C ATOM 429 C SER A 54 -12.466 7.324 18.042 1.00 0.00 C ATOM 430 O SER A 54 -12.429 7.948 19.084 1.00 0.00 O ATOM 431 CB SER A 54 -12.672 8.705 15.971 1.00 0.00 C ATOM 432 OG SER A 54 -12.044 9.048 14.744 1.00 0.00 O ATOM 0 H SER A 54 -11.691 6.619 15.028 1.00 0.00 H new ATOM 0 HA SER A 54 -10.856 8.393 17.088 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.609 8.182 15.779 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.920 9.607 16.530 1.00 0.00 H new ATOM 0 HG SER A 54 -12.645 9.615 14.216 1.00 0.00 H new ATOM 433 N GLN A 55 -13.131 6.205 17.945 1.00 0.00 N ATOM 434 CA GLN A 55 -13.866 5.669 19.125 1.00 0.00 C ATOM 435 C GLN A 55 -14.600 4.387 18.729 1.00 0.00 C ATOM 436 O GLN A 55 -15.000 4.288 17.581 1.00 0.00 O ATOM 437 CB GLN A 55 -14.879 6.707 19.612 1.00 0.00 C ATOM 438 CG GLN A 55 -15.565 6.193 20.880 1.00 0.00 C ATOM 439 CD GLN A 55 -16.541 7.253 21.395 1.00 0.00 C ATOM 440 OE1 GLN A 55 -16.578 8.358 20.892 1.00 0.00 O ATOM 441 NE2 GLN A 55 -17.338 6.961 22.386 1.00 0.00 N ATOM 442 OXT GLN A 55 -14.750 3.526 19.581 1.00 0.00 O ATOM 0 H GLN A 55 -13.197 5.639 17.099 1.00 0.00 H new ATOM 0 HA GLN A 55 -13.158 5.451 19.925 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -14.377 7.653 19.815 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -15.621 6.899 18.837 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -16.097 5.265 20.668 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -14.821 5.967 21.643 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -17.307 6.033 22.809 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -17.992 7.660 22.738 1.00 0.00 H new TER 443 GLN A 55