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 39 ASN : amide:sc= -9.13! C(o=-11!,f=-10!) USER MOD Set 1.2: A 43 THR OG1 : rot 57:sc= -2 USER MOD Single : A 1 LYS N :NH3+ -165:sc= -0.0269 (180deg=-0.383) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc=-0.00711 K(o=-0.0071,f=-1.8!) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 7 MET CE :methyl -113:sc= -4.22! (180deg=-6.82!) USER MOD Single : A 9 HIS : no HD1:sc= -2.12! C(o=-2.1!,f=-4.7!) USER MOD Single : A 12 GLN : amide:sc= -2.59! C(o=-2.6!,f=-4.2!) USER MOD Single : A 15 MET CE :methyl 149:sc= -0.161 (180deg=-0.96) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0871 K(o=-0.087,f=-1.4) 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=-1.5!) USER MOD Single : A 26 LYS NZ :NH3+ -147:sc= -0.683 (180deg=-1.43!) 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=-1.5!) USER MOD Single : A 31 SER OG : rot 82:sc= -2.99! USER MOD Single : A 36 MET CE :methyl -154:sc= -0.37 (180deg=-1.94!) USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0183) USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= 0.0149 (180deg=-0.0994) USER MOD Single : A 46 MET CE :methyl -149:sc= -0.369 (180deg=-1.99!) 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 -6.490 13.154 2.080 1.00 0.00 N ATOM 2 CA LYS A 1 -7.391 14.155 1.441 1.00 0.00 C ATOM 3 C LYS A 1 -7.953 13.576 0.142 1.00 0.00 C ATOM 4 O LYS A 1 -7.660 14.048 -0.938 1.00 0.00 O ATOM 5 CB LYS A 1 -6.601 15.429 1.134 1.00 0.00 C ATOM 6 CG LYS A 1 -6.117 16.056 2.442 1.00 0.00 C ATOM 7 CD LYS A 1 -5.431 17.391 2.146 1.00 0.00 C ATOM 8 CE LYS A 1 -4.824 17.949 3.435 1.00 0.00 C ATOM 9 NZ LYS A 1 -3.543 18.642 3.120 1.00 0.00 N ATOM 0 H1 LYS A 1 -6.310 13.429 3.067 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.941 12.217 2.059 1.00 0.00 H new ATOM 0 H3 LYS A 1 -5.589 13.116 1.561 1.00 0.00 H new ATOM 0 HA LYS A 1 -8.212 14.392 2.118 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -5.751 15.197 0.493 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -7.227 16.136 0.589 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.959 16.210 3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.423 15.383 2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -4.653 17.254 1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.151 18.099 1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.519 18.643 3.906 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.648 17.142 4.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -3.129 19.022 3.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -2.880 17.967 2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -3.724 19.422 2.456 1.00 0.00 H new ATOM 10 N ASN A 2 -8.760 12.555 0.237 1.00 0.00 N ATOM 11 CA ASN A 2 -9.340 11.945 -0.991 1.00 0.00 C ATOM 12 C ASN A 2 -10.820 12.319 -1.096 1.00 0.00 C ATOM 13 O ASN A 2 -11.580 12.152 -0.162 1.00 0.00 O ATOM 14 CB ASN A 2 -9.202 10.423 -0.920 1.00 0.00 C ATOM 15 CG ASN A 2 -7.719 10.045 -0.934 1.00 0.00 C ATOM 16 OD1 ASN A 2 -6.880 10.844 -1.298 1.00 0.00 O ATOM 17 ND2 ASN A 2 -7.359 8.851 -0.548 1.00 0.00 N ATOM 0 H ASN A 2 -9.043 12.117 1.114 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.808 12.317 -1.867 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -9.676 10.046 -0.014 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.714 9.961 -1.764 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.373 8.589 -0.552 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.064 8.180 -0.242 1.00 0.00 H new ATOM 18 N GLU A 3 -11.236 12.822 -2.226 1.00 0.00 N ATOM 19 CA GLU A 3 -12.666 13.204 -2.389 1.00 0.00 C ATOM 20 C GLU A 3 -13.548 11.976 -2.169 1.00 0.00 C ATOM 21 O GLU A 3 -14.687 12.081 -1.757 1.00 0.00 O ATOM 22 CB GLU A 3 -12.892 13.748 -3.801 1.00 0.00 C ATOM 23 CG GLU A 3 -14.317 14.292 -3.917 1.00 0.00 C ATOM 24 CD GLU A 3 -14.592 14.696 -5.365 1.00 0.00 C ATOM 25 OE1 GLU A 3 -13.710 14.514 -6.189 1.00 0.00 O ATOM 26 OE2 GLU A 3 -15.680 15.182 -5.628 1.00 0.00 O ATOM 0 H GLU A 3 -10.647 12.985 -3.043 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.922 13.972 -1.659 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.172 14.537 -4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.732 12.959 -4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.034 13.536 -3.597 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.445 15.151 -3.258 1.00 0.00 H new ATOM 27 N ASP A 4 -13.032 10.809 -2.439 1.00 0.00 N ATOM 28 CA ASP A 4 -13.840 9.571 -2.244 1.00 0.00 C ATOM 29 C ASP A 4 -14.210 9.436 -0.766 1.00 0.00 C ATOM 30 O ASP A 4 -15.221 8.855 -0.420 1.00 0.00 O ATOM 31 CB ASP A 4 -13.024 8.353 -2.681 1.00 0.00 C ATOM 32 CG ASP A 4 -12.776 8.419 -4.189 1.00 0.00 C ATOM 33 OD1 ASP A 4 -13.417 9.228 -4.840 1.00 0.00 O ATOM 34 OD2 ASP A 4 -11.951 7.659 -4.668 1.00 0.00 O ATOM 0 H ASP A 4 -12.085 10.658 -2.787 1.00 0.00 H new ATOM 0 HA ASP A 4 -14.748 9.630 -2.843 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -12.074 8.327 -2.146 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -13.556 7.436 -2.429 1.00 0.00 H new ATOM 35 N GLN A 5 -13.402 9.968 0.108 1.00 0.00 N ATOM 36 CA GLN A 5 -13.710 9.872 1.563 1.00 0.00 C ATOM 37 C GLN A 5 -15.007 10.627 1.857 1.00 0.00 C ATOM 38 O GLN A 5 -15.847 10.170 2.607 1.00 0.00 O ATOM 39 CB GLN A 5 -12.567 10.491 2.369 1.00 0.00 C ATOM 40 CG GLN A 5 -11.316 9.617 2.240 1.00 0.00 C ATOM 41 CD GLN A 5 -10.162 10.265 3.008 1.00 0.00 C ATOM 42 OE1 GLN A 5 -10.240 11.418 3.385 1.00 0.00 O ATOM 43 NE2 GLN A 5 -9.087 9.570 3.256 1.00 0.00 N ATOM 0 H GLN A 5 -12.542 10.465 -0.122 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.825 8.825 1.843 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -12.358 11.498 2.009 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -12.854 10.581 3.417 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.514 8.619 2.632 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.048 9.499 1.190 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.021 8.602 2.940 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.312 9.994 3.766 1.00 0.00 H new ATOM 44 N GLU A 6 -15.177 11.780 1.271 1.00 0.00 N ATOM 45 CA GLU A 6 -16.419 12.565 1.515 1.00 0.00 C ATOM 46 C GLU A 6 -17.635 11.738 1.091 1.00 0.00 C ATOM 47 O GLU A 6 -18.610 11.636 1.810 1.00 0.00 O ATOM 48 CB GLU A 6 -16.372 13.858 0.699 1.00 0.00 C ATOM 49 CG GLU A 6 -17.556 14.749 1.084 1.00 0.00 C ATOM 50 CD GLU A 6 -17.552 16.007 0.213 1.00 0.00 C ATOM 51 OE1 GLU A 6 -16.669 16.125 -0.620 1.00 0.00 O ATOM 52 OE2 GLU A 6 -18.432 16.833 0.397 1.00 0.00 O ATOM 0 H GLU A 6 -14.509 12.213 0.633 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.495 12.807 2.575 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.434 14.382 0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.406 13.630 -0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.492 14.206 0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.492 15.023 2.137 1.00 0.00 H new ATOM 53 N MET A 7 -17.587 11.147 -0.072 1.00 0.00 N ATOM 54 CA MET A 7 -18.740 10.328 -0.541 1.00 0.00 C ATOM 55 C MET A 7 -18.940 9.139 0.401 1.00 0.00 C ATOM 56 O MET A 7 -20.034 8.634 0.554 1.00 0.00 O ATOM 57 CB MET A 7 -18.458 9.815 -1.955 1.00 0.00 C ATOM 58 CG MET A 7 -18.354 11.001 -2.916 1.00 0.00 C ATOM 59 SD MET A 7 -19.899 11.942 -2.886 1.00 0.00 S ATOM 60 CE MET A 7 -20.991 10.603 -3.426 1.00 0.00 C ATOM 0 H MET A 7 -16.799 11.196 -0.717 1.00 0.00 H new ATOM 0 HA MET A 7 -19.641 10.941 -0.548 1.00 0.00 H new ATOM 0 HB2 MET A 7 -17.532 9.241 -1.967 1.00 0.00 H new ATOM 0 HB3 MET A 7 -19.254 9.143 -2.275 1.00 0.00 H new ATOM 0 HG2 MET A 7 -17.520 11.642 -2.630 1.00 0.00 H new ATOM 0 HG3 MET A 7 -18.152 10.647 -3.927 1.00 0.00 H new ATOM 0 HE1 MET A 7 -21.389 10.834 -4.414 1.00 0.00 H new ATOM 0 HE2 MET A 7 -20.429 9.670 -3.471 1.00 0.00 H new ATOM 0 HE3 MET A 7 -21.814 10.497 -2.719 1.00 0.00 H new ATOM 61 N CYS A 8 -17.893 8.688 1.034 1.00 0.00 N ATOM 62 CA CYS A 8 -18.026 7.532 1.964 1.00 0.00 C ATOM 63 C CYS A 8 -19.043 7.871 3.056 1.00 0.00 C ATOM 64 O CYS A 8 -19.847 7.048 3.446 1.00 0.00 O ATOM 65 CB CYS A 8 -16.670 7.236 2.608 1.00 0.00 C ATOM 66 SG CYS A 8 -16.879 5.973 3.887 1.00 0.00 S ATOM 0 H CYS A 8 -16.951 9.070 0.948 1.00 0.00 H new ATOM 0 HA CYS A 8 -18.364 6.657 1.409 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -15.963 6.892 1.853 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -16.255 8.145 3.043 1.00 0.00 H new ATOM 67 N HIS A 9 -19.012 9.077 3.552 1.00 0.00 N ATOM 68 CA HIS A 9 -19.974 9.471 4.619 1.00 0.00 C ATOM 69 C HIS A 9 -21.378 8.985 4.248 1.00 0.00 C ATOM 70 O HIS A 9 -22.031 8.301 5.012 1.00 0.00 O ATOM 71 CB HIS A 9 -19.976 10.996 4.760 1.00 0.00 C ATOM 72 CG HIS A 9 -21.163 11.428 5.576 1.00 0.00 C ATOM 73 ND1 HIS A 9 -22.457 11.370 5.084 1.00 0.00 N ATOM 74 CD2 HIS A 9 -21.270 11.926 6.851 1.00 0.00 C ATOM 75 CE1 HIS A 9 -23.279 11.821 6.047 1.00 0.00 C ATOM 76 NE2 HIS A 9 -22.607 12.174 7.147 1.00 0.00 N ATOM 0 H HIS A 9 -18.361 9.808 3.264 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.677 9.019 5.565 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.054 11.328 5.237 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -20.011 11.462 3.775 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -20.442 12.099 7.522 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.352 11.890 5.944 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -22.991 12.545 8.016 1.00 0.00 H new ATOM 77 N GLU A 10 -21.850 9.338 3.085 1.00 0.00 N ATOM 78 CA GLU A 10 -23.214 8.904 2.670 1.00 0.00 C ATOM 79 C GLU A 10 -23.316 7.376 2.728 1.00 0.00 C ATOM 80 O GLU A 10 -24.351 6.829 3.049 1.00 0.00 O ATOM 81 CB GLU A 10 -23.487 9.376 1.241 1.00 0.00 C ATOM 82 CG GLU A 10 -24.942 9.079 0.876 1.00 0.00 C ATOM 83 CD GLU A 10 -25.189 9.453 -0.587 1.00 0.00 C ATOM 84 OE1 GLU A 10 -24.253 9.901 -1.229 1.00 0.00 O ATOM 85 OE2 GLU A 10 -26.309 9.285 -1.040 1.00 0.00 O ATOM 0 H GLU A 10 -21.350 9.909 2.403 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.949 9.339 3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -23.290 10.445 1.156 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -22.816 8.872 0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -25.159 8.023 1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -25.613 9.642 1.525 1.00 0.00 H new ATOM 86 N PHE A 11 -22.254 6.682 2.418 1.00 0.00 N ATOM 87 CA PHE A 11 -22.309 5.193 2.456 1.00 0.00 C ATOM 88 C PHE A 11 -22.273 4.713 3.908 1.00 0.00 C ATOM 89 O PHE A 11 -22.423 3.540 4.187 1.00 0.00 O ATOM 90 CB PHE A 11 -21.113 4.613 1.697 1.00 0.00 C ATOM 91 CG PHE A 11 -21.615 3.759 0.559 1.00 0.00 C ATOM 92 CD1 PHE A 11 -22.497 2.705 0.817 1.00 0.00 C ATOM 93 CD2 PHE A 11 -21.201 4.021 -0.752 1.00 0.00 C ATOM 94 CE1 PHE A 11 -22.968 1.912 -0.236 1.00 0.00 C ATOM 95 CE2 PHE A 11 -21.671 3.228 -1.806 1.00 0.00 C ATOM 96 CZ PHE A 11 -22.555 2.174 -1.547 1.00 0.00 C ATOM 0 H PHE A 11 -21.356 7.079 2.142 1.00 0.00 H new ATOM 0 HA PHE A 11 -23.233 4.857 1.986 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -20.485 5.417 1.314 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -20.494 4.018 2.369 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -22.815 2.503 1.829 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -20.519 4.835 -0.951 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -23.650 1.098 -0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -21.352 3.429 -2.818 1.00 0.00 H new ATOM 0 HZ PHE A 11 -22.919 1.563 -2.360 1.00 0.00 H new ATOM 97 N GLN A 12 -22.078 5.608 4.837 1.00 0.00 N ATOM 98 CA GLN A 12 -22.038 5.197 6.269 1.00 0.00 C ATOM 99 C GLN A 12 -23.393 4.607 6.663 1.00 0.00 C ATOM 100 O GLN A 12 -23.474 3.678 7.443 1.00 0.00 O ATOM 101 CB GLN A 12 -21.742 6.416 7.143 1.00 0.00 C ATOM 102 CG GLN A 12 -20.290 6.854 6.937 1.00 0.00 C ATOM 103 CD GLN A 12 -20.040 8.160 7.696 1.00 0.00 C ATOM 104 OE1 GLN A 12 -20.969 8.808 8.137 1.00 0.00 O ATOM 105 NE2 GLN A 12 -18.815 8.577 7.867 1.00 0.00 N ATOM 0 H GLN A 12 -21.945 6.605 4.667 1.00 0.00 H new ATOM 0 HA GLN A 12 -21.257 4.450 6.412 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -22.418 7.232 6.888 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -21.915 6.175 8.192 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -19.611 6.079 7.292 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -20.088 6.993 5.875 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.035 8.034 7.497 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.638 9.446 8.370 1.00 0.00 H new ATOM 106 N ALA A 13 -24.458 5.142 6.132 1.00 0.00 N ATOM 107 CA ALA A 13 -25.808 4.615 6.477 1.00 0.00 C ATOM 108 C ALA A 13 -25.886 3.130 6.114 1.00 0.00 C ATOM 109 O ALA A 13 -26.560 2.357 6.765 1.00 0.00 O ATOM 110 CB ALA A 13 -26.869 5.388 5.692 1.00 0.00 C ATOM 0 H ALA A 13 -24.451 5.921 5.474 1.00 0.00 H new ATOM 0 HA ALA A 13 -25.984 4.736 7.546 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -27.858 5.005 5.942 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -26.814 6.446 5.950 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -26.692 5.265 4.623 1.00 0.00 H new ATOM 111 N PHE A 14 -25.199 2.724 5.082 1.00 0.00 N ATOM 112 CA PHE A 14 -25.234 1.290 4.680 1.00 0.00 C ATOM 113 C PHE A 14 -24.151 0.518 5.439 1.00 0.00 C ATOM 114 O PHE A 14 -24.049 -0.689 5.335 1.00 0.00 O ATOM 115 CB PHE A 14 -24.980 1.174 3.177 1.00 0.00 C ATOM 116 CG PHE A 14 -26.102 1.846 2.422 1.00 0.00 C ATOM 117 CD1 PHE A 14 -27.278 1.141 2.142 1.00 0.00 C ATOM 118 CD2 PHE A 14 -25.965 3.174 2.001 1.00 0.00 C ATOM 119 CE1 PHE A 14 -28.318 1.763 1.442 1.00 0.00 C ATOM 120 CE2 PHE A 14 -27.005 3.798 1.300 1.00 0.00 C ATOM 121 CZ PHE A 14 -28.182 3.092 1.021 1.00 0.00 C ATOM 0 H PHE A 14 -24.615 3.324 4.500 1.00 0.00 H new ATOM 0 HA PHE A 14 -26.213 0.873 4.917 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -24.027 1.638 2.922 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.911 0.125 2.889 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -27.383 0.116 2.466 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -25.057 3.718 2.217 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -29.225 1.218 1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -26.899 4.823 0.975 1.00 0.00 H new ATOM 0 HZ PHE A 14 -28.985 3.572 0.481 1.00 0.00 H new ATOM 122 N MET A 15 -23.340 1.202 6.200 1.00 0.00 N ATOM 123 CA MET A 15 -22.267 0.501 6.959 1.00 0.00 C ATOM 124 C MET A 15 -22.868 -0.128 8.219 1.00 0.00 C ATOM 125 O MET A 15 -23.467 0.545 9.035 1.00 0.00 O ATOM 126 CB MET A 15 -21.182 1.503 7.356 1.00 0.00 C ATOM 127 CG MET A 15 -20.072 0.777 8.119 1.00 0.00 C ATOM 128 SD MET A 15 -18.988 1.992 8.911 1.00 0.00 S ATOM 129 CE MET A 15 -20.114 2.469 10.244 1.00 0.00 C ATOM 0 H MET A 15 -23.374 2.213 6.328 1.00 0.00 H new ATOM 0 HA MET A 15 -21.828 -0.277 6.335 1.00 0.00 H new ATOM 0 HB2 MET A 15 -20.773 1.983 6.467 1.00 0.00 H new ATOM 0 HB3 MET A 15 -21.609 2.291 7.976 1.00 0.00 H new ATOM 0 HG2 MET A 15 -20.505 0.116 8.870 1.00 0.00 H new ATOM 0 HG3 MET A 15 -19.497 0.151 7.437 1.00 0.00 H new ATOM 0 HE1 MET A 15 -19.537 2.750 11.125 1.00 0.00 H new ATOM 0 HE2 MET A 15 -20.721 3.315 9.922 1.00 0.00 H new ATOM 0 HE3 MET A 15 -20.764 1.629 10.489 1.00 0.00 H new ATOM 130 N LYS A 16 -22.713 -1.412 8.381 1.00 0.00 N ATOM 131 CA LYS A 16 -23.276 -2.086 9.586 1.00 0.00 C ATOM 132 C LYS A 16 -22.146 -2.744 10.379 1.00 0.00 C ATOM 133 O LYS A 16 -21.126 -3.118 9.833 1.00 0.00 O ATOM 134 CB LYS A 16 -24.281 -3.154 9.149 1.00 0.00 C ATOM 135 CG LYS A 16 -25.029 -3.685 10.373 1.00 0.00 C ATOM 136 CD LYS A 16 -26.074 -4.708 9.926 1.00 0.00 C ATOM 137 CE LYS A 16 -26.886 -5.171 11.138 1.00 0.00 C ATOM 138 NZ LYS A 16 -27.351 -6.569 10.918 1.00 0.00 N ATOM 0 H LYS A 16 -22.221 -2.025 7.731 1.00 0.00 H new ATOM 0 HA LYS A 16 -23.777 -1.349 10.213 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -24.987 -2.733 8.433 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -23.764 -3.970 8.644 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -24.328 -4.145 11.070 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -25.512 -2.864 10.903 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -26.734 -4.267 9.180 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -25.585 -5.561 9.455 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -26.277 -5.117 12.040 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -27.740 -4.512 11.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -27.903 -6.885 11.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -27.947 -6.607 10.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -26.528 -7.193 10.793 1.00 0.00 H new ATOM 139 N ASN A 17 -22.318 -2.888 11.664 1.00 0.00 N ATOM 140 CA ASN A 17 -21.253 -3.520 12.491 1.00 0.00 C ATOM 141 C ASN A 17 -19.904 -2.885 12.152 1.00 0.00 C ATOM 142 O ASN A 17 -18.886 -3.549 12.107 1.00 0.00 O ATOM 143 CB ASN A 17 -21.201 -5.021 12.194 1.00 0.00 C ATOM 144 CG ASN A 17 -22.542 -5.659 12.565 1.00 0.00 C ATOM 145 OD1 ASN A 17 -23.287 -5.117 13.359 1.00 0.00 O ATOM 146 ND2 ASN A 17 -22.884 -6.796 12.022 1.00 0.00 N ATOM 0 H ASN A 17 -23.150 -2.595 12.177 1.00 0.00 H new ATOM 0 HA ASN A 17 -21.472 -3.367 13.548 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -20.986 -5.187 11.138 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.395 -5.487 12.760 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -23.775 -7.229 12.264 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -22.260 -7.251 11.356 1.00 0.00 H new ATOM 147 N GLY A 18 -19.886 -1.601 11.913 1.00 0.00 N ATOM 148 CA GLY A 18 -18.602 -0.924 11.577 1.00 0.00 C ATOM 149 C GLY A 18 -18.021 -1.540 10.302 1.00 0.00 C ATOM 150 O GLY A 18 -16.823 -1.663 10.150 1.00 0.00 O ATOM 0 H GLY A 18 -20.705 -0.993 11.936 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.767 0.144 11.435 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -17.896 -1.031 12.400 1.00 0.00 H new ATOM 151 N LYS A 19 -18.865 -1.929 9.388 1.00 0.00 N ATOM 152 CA LYS A 19 -18.366 -2.539 8.123 1.00 0.00 C ATOM 153 C LYS A 19 -19.229 -2.072 6.952 1.00 0.00 C ATOM 154 O LYS A 19 -20.441 -2.155 6.990 1.00 0.00 O ATOM 155 CB LYS A 19 -18.443 -4.061 8.231 1.00 0.00 C ATOM 156 CG LYS A 19 -17.481 -4.694 7.223 1.00 0.00 C ATOM 157 CD LYS A 19 -18.221 -5.758 6.411 1.00 0.00 C ATOM 158 CE LYS A 19 -17.206 -6.658 5.705 1.00 0.00 C ATOM 159 NZ LYS A 19 -17.720 -7.026 4.355 1.00 0.00 N ATOM 0 H LYS A 19 -19.879 -1.851 9.462 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.333 -2.233 7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -18.187 -4.378 9.242 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -19.461 -4.399 8.039 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.078 -3.929 6.559 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.635 -5.142 7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.857 -6.353 7.066 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -18.873 -5.283 5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -16.250 -6.143 5.613 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.029 -7.557 6.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.029 -7.638 3.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.622 -7.533 4.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.867 -6.164 3.793 1.00 0.00 H new ATOM 160 N LEU A 20 -18.617 -1.578 5.911 1.00 0.00 N ATOM 161 CA LEU A 20 -19.407 -1.103 4.742 1.00 0.00 C ATOM 162 C LEU A 20 -19.816 -2.304 3.886 1.00 0.00 C ATOM 163 O LEU A 20 -18.989 -3.080 3.451 1.00 0.00 O ATOM 164 CB LEU A 20 -18.555 -0.143 3.906 1.00 0.00 C ATOM 165 CG LEU A 20 -19.420 0.519 2.829 1.00 0.00 C ATOM 166 CD1 LEU A 20 -19.719 -0.489 1.722 1.00 0.00 C ATOM 167 CD2 LEU A 20 -20.734 1.004 3.447 1.00 0.00 C ATOM 0 H LEU A 20 -17.606 -1.483 5.820 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.300 -0.583 5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -18.113 0.618 4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.731 -0.685 3.441 1.00 0.00 H new ATOM 0 HG LEU A 20 -18.883 1.370 2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -20.335 -0.017 0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.784 -0.829 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -20.252 -1.342 2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -21.346 1.474 2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -21.272 0.156 3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -20.521 1.728 4.234 1.00 0.00 H new ATOM 168 N PHE A 21 -21.089 -2.465 3.645 1.00 0.00 N ATOM 169 CA PHE A 21 -21.553 -3.618 2.824 1.00 0.00 C ATOM 170 C PHE A 21 -21.663 -3.195 1.357 1.00 0.00 C ATOM 171 O PHE A 21 -22.732 -2.886 0.871 1.00 0.00 O ATOM 172 CB PHE A 21 -22.922 -4.079 3.327 1.00 0.00 C ATOM 173 CG PHE A 21 -22.754 -4.813 4.636 1.00 0.00 C ATOM 174 CD1 PHE A 21 -22.424 -4.106 5.799 1.00 0.00 C ATOM 175 CD2 PHE A 21 -22.925 -6.202 4.689 1.00 0.00 C ATOM 176 CE1 PHE A 21 -22.268 -4.786 7.013 1.00 0.00 C ATOM 177 CE2 PHE A 21 -22.769 -6.882 5.902 1.00 0.00 C ATOM 178 CZ PHE A 21 -22.440 -6.174 7.063 1.00 0.00 C ATOM 0 H PHE A 21 -21.827 -1.847 3.982 1.00 0.00 H new ATOM 0 HA PHE A 21 -20.837 -4.436 2.910 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -23.581 -3.221 3.461 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -23.392 -4.730 2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -22.290 -3.035 5.759 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -23.178 -6.749 3.793 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -22.015 -4.240 7.910 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -22.903 -7.953 5.942 1.00 0.00 H new ATOM 0 HZ PHE A 21 -22.319 -6.699 7.999 1.00 0.00 H new ATOM 179 N CYS A 22 -20.562 -3.178 0.652 1.00 0.00 N ATOM 180 CA CYS A 22 -20.591 -2.777 -0.785 1.00 0.00 C ATOM 181 C CYS A 22 -21.834 -3.359 -1.464 1.00 0.00 C ATOM 182 O CYS A 22 -21.872 -4.520 -1.820 1.00 0.00 O ATOM 183 CB CYS A 22 -19.339 -3.308 -1.485 1.00 0.00 C ATOM 184 SG CYS A 22 -18.203 -1.937 -1.818 1.00 0.00 S ATOM 0 H CYS A 22 -19.640 -3.426 1.012 1.00 0.00 H new ATOM 0 HA CYS A 22 -20.620 -1.689 -0.853 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -18.850 -4.055 -0.860 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -19.613 -3.802 -2.417 1.00 0.00 H new ATOM 185 N PRO A 23 -22.868 -2.526 -1.646 1.00 0.00 N ATOM 186 CA PRO A 23 -24.113 -2.935 -2.283 1.00 0.00 C ATOM 187 C PRO A 23 -24.058 -2.757 -3.803 1.00 0.00 C ATOM 188 O PRO A 23 -23.319 -1.938 -4.313 1.00 0.00 O ATOM 189 CB PRO A 23 -25.139 -1.979 -1.680 1.00 0.00 C ATOM 190 CG PRO A 23 -24.367 -0.756 -1.275 1.00 0.00 C ATOM 191 CD PRO A 23 -22.900 -1.113 -1.243 1.00 0.00 C ATOM 0 HA PRO A 23 -24.338 -3.989 -2.118 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -25.915 -1.730 -2.404 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -25.637 -2.430 -0.821 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -24.545 0.057 -1.979 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -24.695 -0.407 -0.296 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -22.323 -0.490 -1.926 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -22.477 -0.972 -0.248 1.00 0.00 H new ATOM 192 N GLN A 24 -24.834 -3.513 -4.529 1.00 0.00 N ATOM 193 CA GLN A 24 -24.823 -3.383 -6.013 1.00 0.00 C ATOM 194 C GLN A 24 -25.895 -2.380 -6.443 1.00 0.00 C ATOM 195 O GLN A 24 -26.389 -2.423 -7.553 1.00 0.00 O ATOM 196 CB GLN A 24 -25.114 -4.745 -6.647 1.00 0.00 C ATOM 197 CG GLN A 24 -23.974 -5.712 -6.323 1.00 0.00 C ATOM 198 CD GLN A 24 -24.258 -7.071 -6.966 1.00 0.00 C ATOM 199 OE1 GLN A 24 -25.368 -7.340 -7.381 1.00 0.00 O ATOM 200 NE2 GLN A 24 -23.295 -7.945 -7.068 1.00 0.00 N ATOM 0 H GLN A 24 -25.475 -4.215 -4.159 1.00 0.00 H new ATOM 0 HA GLN A 24 -23.844 -3.033 -6.341 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -26.058 -5.139 -6.270 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -25.221 -4.640 -7.727 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -23.029 -5.314 -6.692 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -23.873 -5.823 -5.243 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -22.363 -7.720 -6.720 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -23.474 -8.853 -7.496 1.00 0.00 H new ATOM 201 N ASP A 25 -26.259 -1.479 -5.573 1.00 0.00 N ATOM 202 CA ASP A 25 -27.302 -0.474 -5.930 1.00 0.00 C ATOM 203 C ASP A 25 -26.730 0.519 -6.945 1.00 0.00 C ATOM 204 O ASP A 25 -27.415 0.967 -7.841 1.00 0.00 O ATOM 205 CB ASP A 25 -27.736 0.278 -4.670 1.00 0.00 C ATOM 206 CG ASP A 25 -28.507 -0.671 -3.750 1.00 0.00 C ATOM 207 OD1 ASP A 25 -28.875 -1.740 -4.209 1.00 0.00 O ATOM 208 OD2 ASP A 25 -28.717 -0.313 -2.603 1.00 0.00 O ATOM 0 H ASP A 25 -25.880 -1.394 -4.630 1.00 0.00 H new ATOM 0 HA ASP A 25 -28.162 -0.982 -6.366 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -26.863 0.675 -4.152 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -28.362 1.129 -4.939 1.00 0.00 H new ATOM 209 N LYS A 26 -25.480 0.866 -6.810 1.00 0.00 N ATOM 210 CA LYS A 26 -24.867 1.831 -7.766 1.00 0.00 C ATOM 211 C LYS A 26 -24.475 1.097 -9.051 1.00 0.00 C ATOM 212 O LYS A 26 -24.308 -0.107 -9.064 1.00 0.00 O ATOM 213 CB LYS A 26 -23.625 2.458 -7.131 1.00 0.00 C ATOM 214 CG LYS A 26 -24.042 3.282 -5.911 1.00 0.00 C ATOM 215 CD LYS A 26 -22.829 4.041 -5.367 1.00 0.00 C ATOM 216 CE LYS A 26 -23.222 4.775 -4.084 1.00 0.00 C ATOM 217 NZ LYS A 26 -23.988 6.005 -4.431 1.00 0.00 N ATOM 0 H LYS A 26 -24.856 0.523 -6.079 1.00 0.00 H new ATOM 0 HA LYS A 26 -25.586 2.615 -8.004 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -22.921 1.680 -6.835 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -23.113 3.092 -7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -24.830 3.983 -6.185 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -24.451 2.629 -5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -22.012 3.348 -5.167 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -22.468 4.752 -6.110 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -23.825 4.125 -3.450 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -22.330 5.037 -3.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -23.786 6.749 -3.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -23.708 6.333 -5.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -25.006 5.793 -4.426 1.00 0.00 H new ATOM 218 N LYS A 27 -24.326 1.813 -10.132 1.00 0.00 N ATOM 219 CA LYS A 27 -23.945 1.154 -11.415 1.00 0.00 C ATOM 220 C LYS A 27 -22.876 1.990 -12.128 1.00 0.00 C ATOM 221 O LYS A 27 -21.733 1.591 -12.223 1.00 0.00 O ATOM 222 CB LYS A 27 -25.177 1.018 -12.312 1.00 0.00 C ATOM 223 CG LYS A 27 -25.528 -0.462 -12.475 1.00 0.00 C ATOM 224 CD LYS A 27 -24.988 -0.969 -13.813 1.00 0.00 C ATOM 225 CE LYS A 27 -24.951 -2.498 -13.805 1.00 0.00 C ATOM 226 NZ LYS A 27 -24.562 -2.992 -15.157 1.00 0.00 N ATOM 0 H LYS A 27 -24.451 2.824 -10.183 1.00 0.00 H new ATOM 0 HA LYS A 27 -23.544 0.163 -11.204 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -26.019 1.557 -11.876 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -24.982 1.466 -13.286 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -25.101 -1.040 -11.656 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -26.609 -0.597 -12.432 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -25.618 -0.615 -14.629 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -23.988 -0.572 -13.987 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -24.240 -2.851 -13.058 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -25.928 -2.895 -13.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -24.537 -4.032 -15.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -25.257 -2.666 -15.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -23.621 -2.624 -15.404 1.00 0.00 H new ATOM 227 N PRO A 28 -23.254 3.175 -12.641 1.00 0.00 N ATOM 228 CA PRO A 28 -22.315 4.061 -13.344 1.00 0.00 C ATOM 229 C PRO A 28 -21.262 4.641 -12.398 1.00 0.00 C ATOM 230 O PRO A 28 -21.225 5.829 -12.146 1.00 0.00 O ATOM 231 CB PRO A 28 -23.210 5.177 -13.884 1.00 0.00 C ATOM 232 CG PRO A 28 -24.388 5.182 -12.972 1.00 0.00 C ATOM 233 CD PRO A 28 -24.611 3.750 -12.578 1.00 0.00 C ATOM 0 HA PRO A 28 -21.757 3.534 -14.118 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -22.696 6.138 -13.874 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -23.507 4.985 -14.915 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -24.201 5.803 -12.096 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -25.266 5.591 -13.471 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -25.038 3.668 -11.579 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -25.296 3.245 -13.260 1.00 0.00 H new ATOM 234 N ILE A 29 -20.404 3.809 -11.873 1.00 0.00 N ATOM 235 CA ILE A 29 -19.349 4.308 -10.943 1.00 0.00 C ATOM 236 C ILE A 29 -17.976 3.851 -11.437 1.00 0.00 C ATOM 237 O ILE A 29 -17.862 3.038 -12.333 1.00 0.00 O ATOM 238 CB ILE A 29 -19.578 3.750 -9.530 1.00 0.00 C ATOM 239 CG1 ILE A 29 -20.427 2.477 -9.604 1.00 0.00 C ATOM 240 CG2 ILE A 29 -20.291 4.796 -8.668 1.00 0.00 C ATOM 241 CD1 ILE A 29 -19.588 1.345 -10.203 1.00 0.00 C ATOM 0 H ILE A 29 -20.387 2.804 -12.048 1.00 0.00 H new ATOM 0 HA ILE A 29 -19.395 5.397 -10.914 1.00 0.00 H new ATOM 0 HB ILE A 29 -18.614 3.512 -9.081 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -20.776 2.200 -8.609 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -21.313 2.651 -10.215 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -20.451 4.395 -7.667 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -19.678 5.695 -8.605 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -21.253 5.044 -9.117 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -20.188 0.437 -10.258 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -19.261 1.625 -11.205 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -18.716 1.166 -9.574 1.00 0.00 H new ATOM 242 N GLN A 30 -16.934 4.363 -10.846 1.00 0.00 N ATOM 243 CA GLN A 30 -15.560 3.963 -11.254 1.00 0.00 C ATOM 244 C GLN A 30 -14.648 4.078 -10.033 1.00 0.00 C ATOM 245 O GLN A 30 -14.598 5.105 -9.386 1.00 0.00 O ATOM 246 CB GLN A 30 -15.060 4.888 -12.366 1.00 0.00 C ATOM 247 CG GLN A 30 -13.679 4.424 -12.832 1.00 0.00 C ATOM 248 CD GLN A 30 -13.252 5.242 -14.052 1.00 0.00 C ATOM 249 OE1 GLN A 30 -13.985 6.094 -14.514 1.00 0.00 O ATOM 250 NE2 GLN A 30 -12.088 5.018 -14.598 1.00 0.00 N ATOM 0 H GLN A 30 -16.976 5.048 -10.091 1.00 0.00 H new ATOM 0 HA GLN A 30 -15.560 2.939 -11.628 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -15.759 4.880 -13.202 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -15.007 5.915 -12.004 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -12.953 4.544 -12.028 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -13.705 3.364 -13.083 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -11.472 4.303 -14.211 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -11.794 5.558 -15.412 1.00 0.00 H new ATOM 251 N SER A 31 -13.940 3.032 -9.700 1.00 0.00 N ATOM 252 CA SER A 31 -13.060 3.087 -8.498 1.00 0.00 C ATOM 253 C SER A 31 -11.757 3.815 -8.832 1.00 0.00 C ATOM 254 O SER A 31 -11.221 3.697 -9.915 1.00 0.00 O ATOM 255 CB SER A 31 -12.757 1.659 -8.029 1.00 0.00 C ATOM 256 OG SER A 31 -11.390 1.355 -8.263 1.00 0.00 O ATOM 0 H SER A 31 -13.933 2.146 -10.206 1.00 0.00 H new ATOM 0 HA SER A 31 -13.568 3.632 -7.702 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.985 1.559 -6.968 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.393 0.950 -8.559 1.00 0.00 H new ATOM 0 HG SER A 31 -10.844 1.721 -7.536 1.00 0.00 H new ATOM 257 N LEU A 32 -11.257 4.576 -7.897 1.00 0.00 N ATOM 258 CA LEU A 32 -9.997 5.335 -8.131 1.00 0.00 C ATOM 259 C LEU A 32 -8.799 4.457 -7.768 1.00 0.00 C ATOM 260 O LEU A 32 -7.679 4.728 -8.152 1.00 0.00 O ATOM 261 CB LEU A 32 -9.986 6.590 -7.251 1.00 0.00 C ATOM 262 CG LEU A 32 -11.169 7.494 -7.611 1.00 0.00 C ATOM 263 CD1 LEU A 32 -12.477 6.836 -7.172 1.00 0.00 C ATOM 264 CD2 LEU A 32 -11.020 8.832 -6.886 1.00 0.00 C ATOM 0 H LEU A 32 -11.671 4.705 -6.974 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.937 5.622 -9.181 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.041 6.307 -6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.050 7.131 -7.387 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.184 7.652 -8.689 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.315 7.484 -7.431 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.590 5.877 -7.678 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.460 6.677 -6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.860 9.479 -7.139 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.004 8.663 -5.809 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.089 9.310 -7.192 1.00 0.00 H new ATOM 265 N ASP A 33 -9.028 3.411 -7.023 1.00 0.00 N ATOM 266 CA ASP A 33 -7.904 2.518 -6.627 1.00 0.00 C ATOM 267 C ASP A 33 -7.498 1.639 -7.815 1.00 0.00 C ATOM 268 O ASP A 33 -6.622 0.805 -7.709 1.00 0.00 O ATOM 269 CB ASP A 33 -8.349 1.627 -5.467 1.00 0.00 C ATOM 270 CG ASP A 33 -8.664 2.498 -4.249 1.00 0.00 C ATOM 271 OD1 ASP A 33 -8.264 3.651 -4.249 1.00 0.00 O ATOM 272 OD2 ASP A 33 -9.300 1.997 -3.336 1.00 0.00 O ATOM 0 H ASP A 33 -9.945 3.136 -6.671 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.053 3.125 -6.319 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.229 1.051 -5.753 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.565 0.911 -5.223 1.00 0.00 H new ATOM 273 N GLY A 34 -8.132 1.813 -8.943 1.00 0.00 N ATOM 274 CA GLY A 34 -7.783 0.984 -10.130 1.00 0.00 C ATOM 275 C GLY A 34 -8.806 -0.145 -10.268 1.00 0.00 C ATOM 276 O GLY A 34 -8.527 -1.186 -10.830 1.00 0.00 O ATOM 0 H GLY A 34 -8.877 2.494 -9.093 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.777 1.599 -11.030 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.780 0.572 -10.019 1.00 0.00 H new ATOM 277 N ILE A 35 -9.988 0.053 -9.753 1.00 0.00 N ATOM 278 CA ILE A 35 -11.031 -1.007 -9.845 1.00 0.00 C ATOM 279 C ILE A 35 -12.245 -0.462 -10.601 1.00 0.00 C ATOM 280 O ILE A 35 -12.555 0.711 -10.534 1.00 0.00 O ATOM 281 CB ILE A 35 -11.464 -1.428 -8.437 1.00 0.00 C ATOM 282 CG1 ILE A 35 -10.236 -1.560 -7.531 1.00 0.00 C ATOM 283 CG2 ILE A 35 -12.189 -2.774 -8.508 1.00 0.00 C ATOM 284 CD1 ILE A 35 -10.552 -0.961 -6.158 1.00 0.00 C ATOM 0 H ILE A 35 -10.277 0.905 -9.272 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.623 -1.868 -10.374 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.133 -0.671 -8.027 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.958 -2.609 -7.427 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.384 -1.047 -7.977 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -12.497 -3.074 -7.507 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.068 -2.681 -9.146 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.519 -3.527 -8.922 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.680 -1.054 -5.511 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.810 0.092 -6.271 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.392 -1.494 -5.713 1.00 0.00 H new ATOM 285 N MET A 36 -12.938 -1.306 -11.315 1.00 0.00 N ATOM 286 CA MET A 36 -14.136 -0.837 -12.069 1.00 0.00 C ATOM 287 C MET A 36 -15.397 -1.215 -11.292 1.00 0.00 C ATOM 288 O MET A 36 -16.415 -1.548 -11.865 1.00 0.00 O ATOM 289 CB MET A 36 -14.168 -1.504 -13.444 1.00 0.00 C ATOM 290 CG MET A 36 -12.923 -1.103 -14.237 1.00 0.00 C ATOM 291 SD MET A 36 -13.013 -1.813 -15.900 1.00 0.00 S ATOM 292 CE MET A 36 -13.177 -3.545 -15.399 1.00 0.00 C ATOM 0 H MET A 36 -12.727 -2.300 -11.409 1.00 0.00 H new ATOM 0 HA MET A 36 -14.090 0.245 -12.193 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.208 -2.588 -13.333 1.00 0.00 H new ATOM 0 HB3 MET A 36 -15.067 -1.206 -13.983 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.851 -0.017 -14.297 1.00 0.00 H new ATOM 0 HG3 MET A 36 -12.026 -1.454 -13.728 1.00 0.00 H new ATOM 0 HE1 MET A 36 -12.797 -4.190 -16.191 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.605 -3.716 -14.487 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.227 -3.773 -15.217 1.00 0.00 H new ATOM 293 N PHE A 37 -15.334 -1.173 -9.989 1.00 0.00 N ATOM 294 CA PHE A 37 -16.524 -1.536 -9.173 1.00 0.00 C ATOM 295 C PHE A 37 -17.056 -0.292 -8.459 1.00 0.00 C ATOM 296 O PHE A 37 -16.405 0.734 -8.417 1.00 0.00 O ATOM 297 CB PHE A 37 -16.125 -2.584 -8.132 1.00 0.00 C ATOM 298 CG PHE A 37 -17.366 -3.145 -7.480 1.00 0.00 C ATOM 299 CD1 PHE A 37 -18.084 -4.169 -8.109 1.00 0.00 C ATOM 300 CD2 PHE A 37 -17.798 -2.643 -6.246 1.00 0.00 C ATOM 301 CE1 PHE A 37 -19.235 -4.691 -7.505 1.00 0.00 C ATOM 302 CE2 PHE A 37 -18.948 -3.165 -5.642 1.00 0.00 C ATOM 303 CZ PHE A 37 -19.667 -4.189 -6.272 1.00 0.00 C ATOM 0 H PHE A 37 -14.508 -0.902 -9.455 1.00 0.00 H new ATOM 0 HA PHE A 37 -17.299 -1.941 -9.824 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -15.557 -3.385 -8.606 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -15.477 -2.136 -7.379 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -17.750 -4.557 -9.060 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -17.244 -1.853 -5.760 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -19.789 -5.481 -7.991 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -19.281 -2.778 -4.690 1.00 0.00 H new ATOM 0 HZ PHE A 37 -20.555 -4.591 -5.806 1.00 0.00 H new ATOM 304 N ILE A 38 -18.230 -0.377 -7.891 1.00 0.00 N ATOM 305 CA ILE A 38 -18.796 0.801 -7.176 1.00 0.00 C ATOM 306 C ILE A 38 -17.699 1.439 -6.325 1.00 0.00 C ATOM 307 O ILE A 38 -17.292 0.907 -5.312 1.00 0.00 O ATOM 308 CB ILE A 38 -19.948 0.349 -6.278 1.00 0.00 C ATOM 309 CG1 ILE A 38 -21.019 -0.335 -7.132 1.00 0.00 C ATOM 310 CG2 ILE A 38 -20.558 1.564 -5.576 1.00 0.00 C ATOM 311 CD1 ILE A 38 -22.235 -0.660 -6.264 1.00 0.00 C ATOM 0 H ILE A 38 -18.819 -1.210 -7.892 1.00 0.00 H new ATOM 0 HA ILE A 38 -19.170 1.527 -7.897 1.00 0.00 H new ATOM 0 HB ILE A 38 -19.573 -0.351 -5.531 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -21.311 0.315 -7.957 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -20.619 -1.248 -7.572 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -21.379 1.240 -4.936 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -19.797 2.054 -4.969 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -20.934 2.265 -6.322 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -22.997 -1.147 -6.873 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -21.937 -1.326 -5.455 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -22.640 0.261 -5.845 1.00 0.00 H new ATOM 312 N ASN A 39 -17.204 2.569 -6.744 1.00 0.00 N ATOM 313 CA ASN A 39 -16.117 3.243 -5.980 1.00 0.00 C ATOM 314 C ASN A 39 -16.609 3.651 -4.596 1.00 0.00 C ATOM 315 O ASN A 39 -16.049 3.266 -3.597 1.00 0.00 O ATOM 316 CB ASN A 39 -15.670 4.495 -6.729 1.00 0.00 C ATOM 317 CG ASN A 39 -14.561 5.193 -5.937 1.00 0.00 C ATOM 318 OD1 ASN A 39 -14.666 6.363 -5.623 1.00 0.00 O ATOM 319 ND2 ASN A 39 -13.494 4.521 -5.597 1.00 0.00 N ATOM 0 H ASN A 39 -17.507 3.058 -7.587 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.285 2.547 -5.875 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -15.310 4.228 -7.723 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -16.514 5.171 -6.867 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.750 4.978 -5.069 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.404 3.539 -5.860 1.00 0.00 H new ATOM 320 N LYS A 40 -17.634 4.450 -4.532 1.00 0.00 N ATOM 321 CA LYS A 40 -18.142 4.909 -3.211 1.00 0.00 C ATOM 322 C LYS A 40 -18.114 3.766 -2.200 1.00 0.00 C ATOM 323 O LYS A 40 -17.450 3.840 -1.185 1.00 0.00 O ATOM 324 CB LYS A 40 -19.570 5.433 -3.365 1.00 0.00 C ATOM 325 CG LYS A 40 -19.587 6.565 -4.395 1.00 0.00 C ATOM 326 CD LYS A 40 -21.005 7.125 -4.514 1.00 0.00 C ATOM 327 CE LYS A 40 -21.015 8.281 -5.516 1.00 0.00 C ATOM 328 NZ LYS A 40 -20.982 7.737 -6.903 1.00 0.00 N ATOM 0 H LYS A 40 -18.144 4.807 -5.340 1.00 0.00 H new ATOM 0 HA LYS A 40 -17.499 5.710 -2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -20.233 4.628 -3.682 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -19.943 5.793 -2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.897 7.354 -4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -19.248 6.196 -5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -21.690 6.342 -4.839 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -21.354 7.470 -3.541 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -21.907 8.891 -5.374 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.155 8.930 -5.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -21.057 8.519 -7.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.087 7.229 -7.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -21.779 7.082 -7.038 1.00 0.00 H new ATOM 329 N CYS A 41 -18.825 2.714 -2.460 1.00 0.00 N ATOM 330 CA CYS A 41 -18.830 1.574 -1.504 1.00 0.00 C ATOM 331 C CYS A 41 -17.446 0.923 -1.494 1.00 0.00 C ATOM 332 O CYS A 41 -16.956 0.485 -0.473 1.00 0.00 O ATOM 333 CB CYS A 41 -19.911 0.564 -1.930 1.00 0.00 C ATOM 334 SG CYS A 41 -19.242 -0.708 -3.041 1.00 0.00 S ATOM 0 H CYS A 41 -19.404 2.590 -3.291 1.00 0.00 H new ATOM 0 HA CYS A 41 -19.057 1.922 -0.496 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -20.334 0.088 -1.045 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -20.725 1.091 -2.428 1.00 0.00 H new ATOM 335 N ALA A 42 -16.828 0.848 -2.635 1.00 0.00 N ATOM 336 CA ALA A 42 -15.483 0.214 -2.722 1.00 0.00 C ATOM 337 C ALA A 42 -14.444 1.046 -1.961 1.00 0.00 C ATOM 338 O ALA A 42 -13.502 0.512 -1.411 1.00 0.00 O ATOM 339 CB ALA A 42 -15.067 0.110 -4.188 1.00 0.00 C ATOM 0 H ALA A 42 -17.197 1.200 -3.518 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.535 -0.779 -2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.083 -0.354 -4.255 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -15.792 -0.498 -4.730 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.029 1.107 -4.627 1.00 0.00 H new ATOM 340 N THR A 43 -14.596 2.344 -1.919 1.00 0.00 N ATOM 341 CA THR A 43 -13.598 3.170 -1.187 1.00 0.00 C ATOM 342 C THR A 43 -14.144 3.494 0.201 1.00 0.00 C ATOM 343 O THR A 43 -13.422 3.503 1.176 1.00 0.00 O ATOM 344 CB THR A 43 -13.329 4.467 -1.956 1.00 0.00 C ATOM 345 OG1 THR A 43 -14.138 4.501 -3.123 1.00 0.00 O ATOM 346 CG2 THR A 43 -11.854 4.530 -2.355 1.00 0.00 C ATOM 0 H THR A 43 -15.360 2.861 -2.355 1.00 0.00 H new ATOM 0 HA THR A 43 -12.663 2.617 -1.094 1.00 0.00 H new ATOM 0 HB THR A 43 -13.569 5.321 -1.322 1.00 0.00 H new ATOM 0 HG1 THR A 43 -15.080 4.407 -2.871 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.664 5.453 -2.902 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.233 4.505 -1.459 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.612 3.677 -2.988 1.00 0.00 H new ATOM 347 N CYS A 44 -15.419 3.748 0.299 1.00 0.00 N ATOM 348 CA CYS A 44 -16.008 4.057 1.627 1.00 0.00 C ATOM 349 C CYS A 44 -15.709 2.899 2.579 1.00 0.00 C ATOM 350 O CYS A 44 -15.370 3.100 3.728 1.00 0.00 O ATOM 351 CB CYS A 44 -17.522 4.234 1.492 1.00 0.00 C ATOM 352 SG CYS A 44 -18.227 4.694 3.095 1.00 0.00 S ATOM 0 H CYS A 44 -16.075 3.755 -0.482 1.00 0.00 H new ATOM 0 HA CYS A 44 -15.577 4.979 2.017 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -17.744 5.003 0.752 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -17.976 3.309 1.136 1.00 0.00 H new ATOM 353 N LYS A 45 -15.819 1.686 2.107 1.00 0.00 N ATOM 354 CA LYS A 45 -15.529 0.521 2.987 1.00 0.00 C ATOM 355 C LYS A 45 -14.147 0.703 3.616 1.00 0.00 C ATOM 356 O LYS A 45 -13.961 0.503 4.799 1.00 0.00 O ATOM 357 CB LYS A 45 -15.551 -0.767 2.159 1.00 0.00 C ATOM 358 CG LYS A 45 -15.414 -1.974 3.089 1.00 0.00 C ATOM 359 CD LYS A 45 -15.401 -3.259 2.258 1.00 0.00 C ATOM 360 CE LYS A 45 -15.397 -4.471 3.192 1.00 0.00 C ATOM 361 NZ LYS A 45 -14.075 -4.569 3.872 1.00 0.00 N ATOM 0 H LYS A 45 -16.096 1.454 1.153 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.284 0.455 3.770 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -16.481 -0.833 1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.738 -0.759 1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.496 -1.896 3.671 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.241 -1.996 3.799 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.274 -3.292 1.606 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.522 -3.280 1.614 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.192 -4.376 3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.595 -5.381 2.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.002 -5.485 4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.315 -4.490 3.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.984 -3.800 4.566 1.00 0.00 H new ATOM 362 N MET A 46 -13.178 1.094 2.833 1.00 0.00 N ATOM 363 CA MET A 46 -11.812 1.301 3.386 1.00 0.00 C ATOM 364 C MET A 46 -11.787 2.609 4.177 1.00 0.00 C ATOM 365 O MET A 46 -11.061 2.754 5.139 1.00 0.00 O ATOM 366 CB MET A 46 -10.802 1.378 2.239 1.00 0.00 C ATOM 367 CG MET A 46 -10.786 0.048 1.484 1.00 0.00 C ATOM 368 SD MET A 46 -10.288 -1.278 2.609 1.00 0.00 S ATOM 369 CE MET A 46 -8.670 -0.601 3.054 1.00 0.00 C ATOM 0 H MET A 46 -13.275 1.279 1.835 1.00 0.00 H new ATOM 0 HA MET A 46 -11.550 0.470 4.041 1.00 0.00 H new ATOM 0 HB2 MET A 46 -11.066 2.190 1.561 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.809 1.599 2.629 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.774 -0.161 1.073 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.096 0.104 0.642 1.00 0.00 H new ATOM 0 HE1 MET A 46 -7.979 -1.418 3.264 1.00 0.00 H new ATOM 0 HE2 MET A 46 -8.286 -0.004 2.227 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.769 0.027 3.940 1.00 0.00 H new ATOM 370 N ILE A 47 -12.583 3.564 3.776 1.00 0.00 N ATOM 371 CA ILE A 47 -12.612 4.863 4.502 1.00 0.00 C ATOM 372 C ILE A 47 -13.391 4.695 5.809 1.00 0.00 C ATOM 373 O ILE A 47 -13.177 5.413 6.766 1.00 0.00 O ATOM 374 CB ILE A 47 -13.292 5.920 3.628 1.00 0.00 C ATOM 375 CG1 ILE A 47 -12.449 6.166 2.375 1.00 0.00 C ATOM 376 CG2 ILE A 47 -13.427 7.226 4.410 1.00 0.00 C ATOM 377 CD1 ILE A 47 -10.984 6.357 2.773 1.00 0.00 C ATOM 0 H ILE A 47 -13.214 3.499 2.977 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.594 5.182 4.725 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.282 5.565 3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.544 5.324 1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.811 7.048 1.848 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -13.911 7.976 3.785 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -14.028 7.055 5.303 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -12.438 7.580 4.701 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.384 6.532 1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.897 7.213 3.442 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.625 5.462 3.281 1.00 0.00 H new ATOM 378 N LEU A 48 -14.289 3.747 5.861 1.00 0.00 N ATOM 379 CA LEU A 48 -15.071 3.537 7.112 1.00 0.00 C ATOM 380 C LEU A 48 -14.214 2.765 8.117 1.00 0.00 C ATOM 381 O LEU A 48 -14.374 2.896 9.314 1.00 0.00 O ATOM 382 CB LEU A 48 -16.336 2.731 6.799 1.00 0.00 C ATOM 383 CG LEU A 48 -17.307 3.593 5.988 1.00 0.00 C ATOM 384 CD1 LEU A 48 -18.677 2.915 5.938 1.00 0.00 C ATOM 385 CD2 LEU A 48 -17.446 4.970 6.643 1.00 0.00 C ATOM 0 H LEU A 48 -14.513 3.112 5.095 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.353 4.503 7.532 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.077 1.832 6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.810 2.405 7.725 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.921 3.710 4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -19.367 3.530 5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -18.582 1.937 5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -19.060 2.794 6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -18.138 5.581 6.063 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.828 4.854 7.657 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.472 5.457 6.676 1.00 0.00 H new ATOM 386 N GLU A 49 -13.303 1.962 7.637 1.00 0.00 N ATOM 387 CA GLU A 49 -12.434 1.184 8.564 1.00 0.00 C ATOM 388 C GLU A 49 -11.476 2.138 9.280 1.00 0.00 C ATOM 389 O GLU A 49 -11.094 1.917 10.411 1.00 0.00 O ATOM 390 CB GLU A 49 -11.629 0.156 7.767 1.00 0.00 C ATOM 391 CG GLU A 49 -12.573 -0.912 7.211 1.00 0.00 C ATOM 392 CD GLU A 49 -11.770 -1.929 6.397 1.00 0.00 C ATOM 393 OE1 GLU A 49 -10.588 -1.700 6.199 1.00 0.00 O ATOM 394 OE2 GLU A 49 -12.350 -2.920 5.985 1.00 0.00 O ATOM 0 H GLU A 49 -13.124 1.812 6.644 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.053 0.669 9.298 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.098 0.647 6.952 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.876 -0.306 8.405 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.093 -1.413 8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.335 -0.449 6.584 1.00 0.00 H new ATOM 395 N LYS A 50 -11.086 3.200 8.629 1.00 0.00 N ATOM 396 CA LYS A 50 -10.154 4.168 9.273 1.00 0.00 C ATOM 397 C LYS A 50 -10.789 4.705 10.557 1.00 0.00 C ATOM 398 O LYS A 50 -10.119 4.940 11.542 1.00 0.00 O ATOM 399 CB LYS A 50 -9.881 5.328 8.315 1.00 0.00 C ATOM 400 CG LYS A 50 -9.163 4.802 7.069 1.00 0.00 C ATOM 401 CD LYS A 50 -8.813 5.974 6.150 1.00 0.00 C ATOM 402 CE LYS A 50 -8.187 5.442 4.860 1.00 0.00 C ATOM 403 NZ LYS A 50 -7.024 6.293 4.484 1.00 0.00 N ATOM 0 H LYS A 50 -11.372 3.439 7.680 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.216 3.667 9.512 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.818 5.809 8.032 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.270 6.085 8.808 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.257 4.268 7.356 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.799 4.090 6.543 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.709 6.550 5.921 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.120 6.649 6.652 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.866 4.410 4.998 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.925 5.442 4.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.598 5.931 3.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.343 7.272 4.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.317 6.271 5.246 1.00 0.00 H new ATOM 404 N GLU A 51 -12.080 4.900 10.553 1.00 0.00 N ATOM 405 CA GLU A 51 -12.759 5.420 11.772 1.00 0.00 C ATOM 406 C GLU A 51 -12.522 4.456 12.936 1.00 0.00 C ATOM 407 O GLU A 51 -12.398 4.861 14.075 1.00 0.00 O ATOM 408 CB GLU A 51 -14.261 5.542 11.507 1.00 0.00 C ATOM 409 CG GLU A 51 -14.504 6.593 10.421 1.00 0.00 C ATOM 410 CD GLU A 51 -16.010 6.776 10.217 1.00 0.00 C ATOM 411 OE1 GLU A 51 -16.762 5.996 10.776 1.00 0.00 O ATOM 412 OE2 GLU A 51 -16.383 7.693 9.504 1.00 0.00 O ATOM 0 H GLU A 51 -12.693 4.721 9.758 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.355 6.401 12.024 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.665 4.579 11.193 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.781 5.823 12.423 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.047 7.540 10.708 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.035 6.282 9.488 1.00 0.00 H new ATOM 413 N ALA A 52 -12.460 3.183 12.659 1.00 0.00 N ATOM 414 CA ALA A 52 -12.230 2.194 13.749 1.00 0.00 C ATOM 415 C ALA A 52 -10.856 2.438 14.376 1.00 0.00 C ATOM 416 O ALA A 52 -10.630 2.142 15.533 1.00 0.00 O ATOM 417 CB ALA A 52 -12.284 0.777 13.171 1.00 0.00 C ATOM 0 H ALA A 52 -12.559 2.785 11.725 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.002 2.305 14.511 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.116 0.052 13.968 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.263 0.604 12.723 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.512 0.665 12.410 1.00 0.00 H new ATOM 418 N LYS A 53 -9.937 2.975 13.622 1.00 0.00 N ATOM 419 CA LYS A 53 -8.579 3.239 14.177 1.00 0.00 C ATOM 420 C LYS A 53 -8.691 4.208 15.356 1.00 0.00 C ATOM 421 O LYS A 53 -7.925 4.147 16.296 1.00 0.00 O ATOM 422 CB LYS A 53 -7.695 3.856 13.091 1.00 0.00 C ATOM 423 CG LYS A 53 -7.499 2.847 11.958 1.00 0.00 C ATOM 424 CD LYS A 53 -6.532 3.425 10.923 1.00 0.00 C ATOM 425 CE LYS A 53 -6.432 2.472 9.731 1.00 0.00 C ATOM 426 NZ LYS A 53 -4.997 2.226 9.410 1.00 0.00 N ATOM 0 H LYS A 53 -10.067 3.242 12.646 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.136 2.303 14.516 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.155 4.766 12.706 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.730 4.140 13.511 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.107 1.910 12.354 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.457 2.619 11.490 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.879 4.404 10.592 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.548 3.570 11.370 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.931 1.531 9.962 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.941 2.899 8.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.929 1.578 8.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.535 3.127 9.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.525 1.801 10.234 1.00 0.00 H new ATOM 427 N SER A 54 -9.641 5.102 15.313 1.00 0.00 N ATOM 428 CA SER A 54 -9.801 6.073 16.430 1.00 0.00 C ATOM 429 C SER A 54 -10.069 5.314 17.731 1.00 0.00 C ATOM 430 O SER A 54 -9.735 5.768 18.807 1.00 0.00 O ATOM 431 CB SER A 54 -10.979 7.005 16.132 1.00 0.00 C ATOM 432 OG SER A 54 -10.794 7.609 14.860 1.00 0.00 O ATOM 0 H SER A 54 -10.313 5.201 14.552 1.00 0.00 H new ATOM 0 HA SER A 54 -8.889 6.661 16.533 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.913 6.444 16.148 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.054 7.772 16.903 1.00 0.00 H new ATOM 0 HG SER A 54 -11.548 8.204 14.668 1.00 0.00 H new ATOM 433 N GLN A 55 -10.669 4.159 17.640 1.00 0.00 N ATOM 434 CA GLN A 55 -10.957 3.370 18.871 1.00 0.00 C ATOM 435 C GLN A 55 -10.293 1.995 18.762 1.00 0.00 C ATOM 436 O GLN A 55 -9.588 1.776 17.791 1.00 0.00 O ATOM 437 CB GLN A 55 -12.470 3.194 19.022 1.00 0.00 C ATOM 438 CG GLN A 55 -13.117 4.556 19.283 1.00 0.00 C ATOM 439 CD GLN A 55 -14.632 4.383 19.417 1.00 0.00 C ATOM 440 OE1 GLN A 55 -15.179 3.378 19.006 1.00 0.00 O ATOM 441 NE2 GLN A 55 -15.337 5.327 19.978 1.00 0.00 N ATOM 442 OXT GLN A 55 -10.501 1.187 19.651 1.00 0.00 O ATOM 0 H GLN A 55 -10.972 3.728 16.767 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.563 3.897 19.740 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.887 2.748 18.119 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.688 2.512 19.844 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.709 4.996 20.193 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.889 5.241 18.467 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.878 6.170 20.323 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -16.347 5.222 20.072 1.00 0.00 H new TER 443 GLN A 55