USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 SER OG : rot 137:sc= -4.34! USER MOD Set 1.2: A 39 ASN : amide:sc= -7.74! C(o=-12!,f=-19!) USER MOD Set 2.1: A 24 GLN : amide:sc= -0.716! C(o=0.21!,f=-13!) USER MOD Set 2.2: A 26 LYS NZ :NH3+ -121:sc= 0.93 (180deg=-0.0355) USER MOD Single : A 1 LYS N :NH3+ -166:sc= -0.0172 (180deg=-0.253) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0282 K(o=-0.028,f=-1.5!) USER MOD Single : A 5 GLN : amide:sc= -1.41 X(o=-1.4,f=-1.7!) USER MOD Single : A 7 MET CE :methyl 173:sc= -6.12! (180deg=-6.32!) USER MOD Single : A 9 HIS : no HD1:sc= -4.61! K(o=-4.6!,f=-1.2) USER MOD Single : A 12 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.6!) USER MOD Single : A 15 MET CE :methyl -135:sc= -0.392 (180deg=-2.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 19 LYS NZ :NH3+ 149:sc= -0.114 (180deg=-0.727) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 36 MET CE :methyl 135:sc= -0.257 (180deg=-1.49!) USER MOD Single : A 40 LYS NZ :NH3+ -129:sc= -3.84! (180deg=-8.2!) USER MOD Single : A 43 THR OG1 : rot -61:sc= 0.459 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -152:sc= -0.351 (180deg=-1.93!) 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=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.812 13.791 -4.170 1.00 0.00 N ATOM 2 CA LYS A 1 -8.351 13.083 -2.975 1.00 0.00 C ATOM 3 C LYS A 1 -8.582 11.611 -3.317 1.00 0.00 C ATOM 4 O LYS A 1 -9.694 11.122 -3.281 1.00 0.00 O ATOM 5 CB LYS A 1 -9.676 13.724 -2.557 1.00 0.00 C ATOM 6 CG LYS A 1 -9.424 15.156 -2.082 1.00 0.00 C ATOM 7 CD LYS A 1 -10.727 15.749 -1.541 1.00 0.00 C ATOM 8 CE LYS A 1 -10.507 17.221 -1.183 1.00 0.00 C ATOM 9 NZ LYS A 1 -10.581 17.389 0.296 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.434 14.717 -3.884 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.052 13.224 -4.596 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.573 13.927 -4.865 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.637 13.158 -2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -10.372 13.725 -3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -10.138 13.141 -1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -8.658 15.164 -1.306 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.050 15.764 -2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -11.517 15.659 -2.286 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -11.054 15.195 -0.661 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.536 17.554 -1.549 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -11.261 17.841 -1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -10.432 18.389 0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -11.517 17.087 0.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -9.846 16.809 0.748 1.00 0.00 H new ATOM 10 N ASN A 2 -7.540 10.898 -3.650 1.00 0.00 N ATOM 11 CA ASN A 2 -7.703 9.457 -3.994 1.00 0.00 C ATOM 12 C ASN A 2 -8.493 8.755 -2.889 1.00 0.00 C ATOM 13 O ASN A 2 -9.323 7.907 -3.148 1.00 0.00 O ATOM 14 CB ASN A 2 -6.326 8.807 -4.130 1.00 0.00 C ATOM 15 CG ASN A 2 -5.575 9.446 -5.301 1.00 0.00 C ATOM 16 OD1 ASN A 2 -6.174 10.070 -6.154 1.00 0.00 O ATOM 17 ND2 ASN A 2 -4.279 9.315 -5.378 1.00 0.00 N ATOM 0 H ASN A 2 -6.584 11.251 -3.699 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.241 9.367 -4.937 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -5.759 8.934 -3.208 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -6.433 7.735 -4.294 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.769 9.737 -6.154 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.776 8.791 -4.662 1.00 0.00 H new ATOM 18 N GLU A 3 -8.243 9.102 -1.655 1.00 0.00 N ATOM 19 CA GLU A 3 -8.983 8.455 -0.536 1.00 0.00 C ATOM 20 C GLU A 3 -10.487 8.595 -0.773 1.00 0.00 C ATOM 21 O GLU A 3 -11.271 7.762 -0.363 1.00 0.00 O ATOM 22 CB GLU A 3 -8.610 9.134 0.783 1.00 0.00 C ATOM 23 CG GLU A 3 -7.128 8.902 1.076 1.00 0.00 C ATOM 24 CD GLU A 3 -6.850 7.399 1.147 1.00 0.00 C ATOM 25 OE1 GLU A 3 -7.799 6.648 1.296 1.00 0.00 O ATOM 26 OE2 GLU A 3 -5.693 7.026 1.049 1.00 0.00 O ATOM 0 H GLU A 3 -7.559 9.805 -1.375 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.718 7.399 -0.488 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -8.817 10.203 0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.219 8.735 1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.517 9.359 0.298 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.854 9.378 2.017 1.00 0.00 H new ATOM 27 N ASP A 4 -10.897 9.644 -1.434 1.00 0.00 N ATOM 28 CA ASP A 4 -12.350 9.837 -1.695 1.00 0.00 C ATOM 29 C ASP A 4 -13.132 9.648 -0.394 1.00 0.00 C ATOM 30 O ASP A 4 -14.176 9.027 -0.370 1.00 0.00 O ATOM 31 CB ASP A 4 -12.821 8.812 -2.730 1.00 0.00 C ATOM 32 CG ASP A 4 -12.008 8.977 -4.016 1.00 0.00 C ATOM 33 OD1 ASP A 4 -11.541 10.077 -4.261 1.00 0.00 O ATOM 34 OD2 ASP A 4 -11.867 8.001 -4.734 1.00 0.00 O ATOM 0 H ASP A 4 -10.288 10.374 -1.804 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.521 10.844 -2.077 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -12.701 7.802 -2.338 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -13.882 8.950 -2.937 1.00 0.00 H new ATOM 35 N GLN A 5 -12.634 10.178 0.690 1.00 0.00 N ATOM 36 CA GLN A 5 -13.348 10.030 1.989 1.00 0.00 C ATOM 37 C GLN A 5 -14.739 10.657 1.878 1.00 0.00 C ATOM 38 O GLN A 5 -15.674 10.235 2.528 1.00 0.00 O ATOM 39 CB GLN A 5 -12.557 10.740 3.090 1.00 0.00 C ATOM 40 CG GLN A 5 -11.205 10.049 3.272 1.00 0.00 C ATOM 41 CD GLN A 5 -10.382 10.806 4.315 1.00 0.00 C ATOM 42 OE1 GLN A 5 -10.704 11.924 4.667 1.00 0.00 O ATOM 43 NE2 GLN A 5 -9.323 10.241 4.829 1.00 0.00 N ATOM 0 H GLN A 5 -11.763 10.707 0.732 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.442 8.972 2.234 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -12.410 11.788 2.829 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -13.117 10.720 4.025 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.352 9.016 3.589 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.670 10.018 2.323 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.052 9.303 4.534 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.767 10.738 5.525 1.00 0.00 H new ATOM 44 N GLU A 6 -14.883 11.661 1.057 1.00 0.00 N ATOM 45 CA GLU A 6 -16.212 12.312 0.905 1.00 0.00 C ATOM 46 C GLU A 6 -17.224 11.285 0.394 1.00 0.00 C ATOM 47 O GLU A 6 -18.211 11.001 1.040 1.00 0.00 O ATOM 48 CB GLU A 6 -16.105 13.465 -0.095 1.00 0.00 C ATOM 49 CG GLU A 6 -15.257 14.588 0.508 1.00 0.00 C ATOM 50 CD GLU A 6 -15.280 15.801 -0.425 1.00 0.00 C ATOM 51 OE1 GLU A 6 -15.797 15.669 -1.522 1.00 0.00 O ATOM 52 OE2 GLU A 6 -14.781 16.839 -0.025 1.00 0.00 O ATOM 0 H GLU A 6 -14.137 12.058 0.486 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.541 12.699 1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.655 13.114 -1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.099 13.838 -0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.643 14.863 1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.232 14.247 0.653 1.00 0.00 H new ATOM 53 N MET A 7 -16.986 10.727 -0.762 1.00 0.00 N ATOM 54 CA MET A 7 -17.933 9.717 -1.315 1.00 0.00 C ATOM 55 C MET A 7 -18.369 8.757 -0.208 1.00 0.00 C ATOM 56 O MET A 7 -19.487 8.280 -0.190 1.00 0.00 O ATOM 57 CB MET A 7 -17.241 8.920 -2.423 1.00 0.00 C ATOM 58 CG MET A 7 -16.679 9.880 -3.472 1.00 0.00 C ATOM 59 SD MET A 7 -17.982 11.018 -4.006 1.00 0.00 S ATOM 60 CE MET A 7 -18.936 9.827 -4.979 1.00 0.00 C ATOM 0 H MET A 7 -16.176 10.927 -1.348 1.00 0.00 H new ATOM 0 HA MET A 7 -18.806 10.230 -1.719 1.00 0.00 H new ATOM 0 HB2 MET A 7 -16.438 8.315 -2.002 1.00 0.00 H new ATOM 0 HB3 MET A 7 -17.949 8.233 -2.887 1.00 0.00 H new ATOM 0 HG2 MET A 7 -15.840 10.439 -3.057 1.00 0.00 H new ATOM 0 HG3 MET A 7 -16.298 9.320 -4.326 1.00 0.00 H new ATOM 0 HE1 MET A 7 -19.867 10.288 -5.307 1.00 0.00 H new ATOM 0 HE2 MET A 7 -18.356 9.521 -5.850 1.00 0.00 H new ATOM 0 HE3 MET A 7 -19.160 8.953 -4.367 1.00 0.00 H new ATOM 61 N CYS A 8 -17.494 8.462 0.711 1.00 0.00 N ATOM 62 CA CYS A 8 -17.854 7.524 1.810 1.00 0.00 C ATOM 63 C CYS A 8 -19.030 8.088 2.609 1.00 0.00 C ATOM 64 O CYS A 8 -19.787 7.355 3.213 1.00 0.00 O ATOM 65 CB CYS A 8 -16.650 7.330 2.733 1.00 0.00 C ATOM 66 SG CYS A 8 -17.087 6.185 4.065 1.00 0.00 S ATOM 0 H CYS A 8 -16.544 8.830 0.749 1.00 0.00 H new ATOM 0 HA CYS A 8 -18.141 6.563 1.383 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -15.804 6.940 2.167 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -16.340 8.288 3.150 1.00 0.00 H new ATOM 67 N HIS A 9 -19.194 9.382 2.616 1.00 0.00 N ATOM 68 CA HIS A 9 -20.326 9.979 3.376 1.00 0.00 C ATOM 69 C HIS A 9 -21.640 9.353 2.899 1.00 0.00 C ATOM 70 O HIS A 9 -22.588 9.220 3.648 1.00 0.00 O ATOM 71 CB HIS A 9 -20.351 11.500 3.150 1.00 0.00 C ATOM 72 CG HIS A 9 -21.057 11.825 1.859 1.00 0.00 C ATOM 73 ND1 HIS A 9 -22.117 12.716 1.802 1.00 0.00 N ATOM 74 CD2 HIS A 9 -20.872 11.380 0.574 1.00 0.00 C ATOM 75 CE1 HIS A 9 -22.526 12.777 0.522 1.00 0.00 C ATOM 76 NE2 HIS A 9 -21.800 11.984 -0.269 1.00 0.00 N ATOM 0 H HIS A 9 -18.595 10.049 2.130 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.201 9.782 4.441 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -20.856 11.990 3.982 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.333 11.887 3.123 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -20.120 10.669 0.264 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.343 13.393 0.176 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -21.903 11.850 -1.275 1.00 0.00 H new ATOM 77 N GLU A 10 -21.700 8.973 1.651 1.00 0.00 N ATOM 78 CA GLU A 10 -22.947 8.360 1.113 1.00 0.00 C ATOM 79 C GLU A 10 -23.050 6.908 1.583 1.00 0.00 C ATOM 80 O GLU A 10 -24.130 6.375 1.746 1.00 0.00 O ATOM 81 CB GLU A 10 -22.911 8.401 -0.416 1.00 0.00 C ATOM 82 CG GLU A 10 -24.212 7.821 -0.975 1.00 0.00 C ATOM 83 CD GLU A 10 -24.084 7.655 -2.490 1.00 0.00 C ATOM 84 OE1 GLU A 10 -23.011 7.915 -3.007 1.00 0.00 O ATOM 85 OE2 GLU A 10 -25.064 7.269 -3.108 1.00 0.00 O ATOM 0 H GLU A 10 -20.937 9.061 0.980 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.812 8.917 1.474 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -22.781 9.427 -0.760 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -22.058 7.831 -0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -24.424 6.859 -0.509 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -25.048 8.480 -0.740 1.00 0.00 H new ATOM 86 N PHE A 11 -21.938 6.261 1.803 1.00 0.00 N ATOM 87 CA PHE A 11 -21.982 4.843 2.261 1.00 0.00 C ATOM 88 C PHE A 11 -21.975 4.802 3.792 1.00 0.00 C ATOM 89 O PHE A 11 -22.007 3.747 4.393 1.00 0.00 O ATOM 90 CB PHE A 11 -20.759 4.092 1.726 1.00 0.00 C ATOM 91 CG PHE A 11 -21.167 3.204 0.571 1.00 0.00 C ATOM 92 CD1 PHE A 11 -22.370 2.488 0.623 1.00 0.00 C ATOM 93 CD2 PHE A 11 -20.340 3.097 -0.555 1.00 0.00 C ATOM 94 CE1 PHE A 11 -22.744 1.667 -0.447 1.00 0.00 C ATOM 95 CE2 PHE A 11 -20.715 2.277 -1.625 1.00 0.00 C ATOM 96 CZ PHE A 11 -21.917 1.562 -1.571 1.00 0.00 C ATOM 0 H PHE A 11 -21.003 6.652 1.686 1.00 0.00 H new ATOM 0 HA PHE A 11 -22.890 4.370 1.887 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -19.999 4.802 1.400 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -20.314 3.491 2.519 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -23.009 2.570 1.490 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -19.412 3.648 -0.597 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -23.671 1.114 -0.405 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -20.077 2.196 -2.493 1.00 0.00 H new ATOM 0 HZ PHE A 11 -22.206 0.929 -2.397 1.00 0.00 H new ATOM 97 N GLN A 12 -21.933 5.942 4.429 1.00 0.00 N ATOM 98 CA GLN A 12 -21.925 5.963 5.919 1.00 0.00 C ATOM 99 C GLN A 12 -23.256 5.417 6.440 1.00 0.00 C ATOM 100 O GLN A 12 -23.312 4.770 7.468 1.00 0.00 O ATOM 101 CB GLN A 12 -21.738 7.401 6.409 1.00 0.00 C ATOM 102 CG GLN A 12 -20.264 7.791 6.292 1.00 0.00 C ATOM 103 CD GLN A 12 -20.059 9.191 6.874 1.00 0.00 C ATOM 104 OE1 GLN A 12 -21.001 9.827 7.301 1.00 0.00 O ATOM 105 NE2 GLN A 12 -18.858 9.701 6.908 1.00 0.00 N ATOM 0 H GLN A 12 -21.904 6.858 3.982 1.00 0.00 H new ATOM 0 HA GLN A 12 -21.106 5.345 6.288 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -22.353 8.081 5.819 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -22.068 7.490 7.444 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -19.643 7.070 6.823 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -19.953 7.771 5.247 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.067 9.167 6.549 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.711 10.634 7.293 1.00 0.00 H new ATOM 106 N ALA A 13 -24.326 5.672 5.740 1.00 0.00 N ATOM 107 CA ALA A 13 -25.652 5.166 6.194 1.00 0.00 C ATOM 108 C ALA A 13 -25.712 3.650 5.997 1.00 0.00 C ATOM 109 O ALA A 13 -26.444 2.954 6.674 1.00 0.00 O ATOM 110 CB ALA A 13 -26.759 5.830 5.375 1.00 0.00 C ATOM 0 H ALA A 13 -24.340 6.209 4.873 1.00 0.00 H new ATOM 0 HA ALA A 13 -25.790 5.402 7.249 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -27.729 5.460 5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -26.716 6.910 5.514 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -26.622 5.594 4.320 1.00 0.00 H new ATOM 111 N PHE A 14 -24.947 3.132 5.075 1.00 0.00 N ATOM 112 CA PHE A 14 -24.960 1.660 4.835 1.00 0.00 C ATOM 113 C PHE A 14 -23.913 0.984 5.725 1.00 0.00 C ATOM 114 O PHE A 14 -23.772 -0.222 5.725 1.00 0.00 O ATOM 115 CB PHE A 14 -24.633 1.380 3.366 1.00 0.00 C ATOM 116 CG PHE A 14 -25.743 1.914 2.491 1.00 0.00 C ATOM 117 CD1 PHE A 14 -26.909 1.162 2.301 1.00 0.00 C ATOM 118 CD2 PHE A 14 -25.605 3.160 1.868 1.00 0.00 C ATOM 119 CE1 PHE A 14 -27.937 1.657 1.489 1.00 0.00 C ATOM 120 CE2 PHE A 14 -26.632 3.655 1.056 1.00 0.00 C ATOM 121 CZ PHE A 14 -27.799 2.904 0.867 1.00 0.00 C ATOM 0 H PHE A 14 -24.314 3.664 4.478 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.948 1.265 5.072 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.686 1.849 3.097 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.514 0.308 3.207 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -27.015 0.200 2.781 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -24.706 3.740 2.014 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -28.836 1.077 1.343 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -26.525 4.616 0.575 1.00 0.00 H new ATOM 0 HZ PHE A 14 -28.592 3.287 0.242 1.00 0.00 H new ATOM 122 N MET A 15 -23.178 1.751 6.485 1.00 0.00 N ATOM 123 CA MET A 15 -22.142 1.148 7.372 1.00 0.00 C ATOM 124 C MET A 15 -22.812 0.601 8.634 1.00 0.00 C ATOM 125 O MET A 15 -23.588 1.278 9.279 1.00 0.00 O ATOM 126 CB MET A 15 -21.119 2.220 7.761 1.00 0.00 C ATOM 127 CG MET A 15 -19.833 1.550 8.250 1.00 0.00 C ATOM 128 SD MET A 15 -20.114 0.815 9.881 1.00 0.00 S ATOM 129 CE MET A 15 -20.447 2.354 10.773 1.00 0.00 C ATOM 0 H MET A 15 -23.250 2.767 6.530 1.00 0.00 H new ATOM 0 HA MET A 15 -21.637 0.337 6.847 1.00 0.00 H new ATOM 0 HB2 MET A 15 -20.905 2.860 6.905 1.00 0.00 H new ATOM 0 HB3 MET A 15 -21.528 2.860 8.543 1.00 0.00 H new ATOM 0 HG2 MET A 15 -19.519 0.782 7.543 1.00 0.00 H new ATOM 0 HG3 MET A 15 -19.027 2.282 8.304 1.00 0.00 H new ATOM 0 HE1 MET A 15 -19.903 2.352 11.717 1.00 0.00 H new ATOM 0 HE2 MET A 15 -20.123 3.202 10.169 1.00 0.00 H new ATOM 0 HE3 MET A 15 -21.516 2.436 10.970 1.00 0.00 H new ATOM 130 N LYS A 16 -22.518 -0.619 8.991 1.00 0.00 N ATOM 131 CA LYS A 16 -23.138 -1.210 10.211 1.00 0.00 C ATOM 132 C LYS A 16 -22.074 -1.971 11.005 1.00 0.00 C ATOM 133 O LYS A 16 -21.138 -2.509 10.449 1.00 0.00 O ATOM 134 CB LYS A 16 -24.253 -2.177 9.804 1.00 0.00 C ATOM 135 CG LYS A 16 -25.357 -1.408 9.076 1.00 0.00 C ATOM 136 CD LYS A 16 -26.535 -2.347 8.806 1.00 0.00 C ATOM 137 CE LYS A 16 -27.628 -1.590 8.050 1.00 0.00 C ATOM 138 NZ LYS A 16 -27.383 -1.696 6.584 1.00 0.00 N ATOM 0 H LYS A 16 -21.875 -1.233 8.491 1.00 0.00 H new ATOM 0 HA LYS A 16 -23.555 -0.413 10.826 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -23.853 -2.958 9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -24.660 -2.671 10.686 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -25.684 -0.560 9.679 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -24.977 -1.004 8.138 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -26.203 -3.206 8.223 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -26.929 -2.733 9.746 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -28.607 -2.001 8.297 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -27.636 -0.543 8.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -28.126 -1.181 6.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -26.456 -1.284 6.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -27.396 -2.697 6.301 1.00 0.00 H new ATOM 139 N ASN A 17 -22.212 -2.023 12.301 1.00 0.00 N ATOM 140 CA ASN A 17 -21.210 -2.751 13.131 1.00 0.00 C ATOM 141 C ASN A 17 -19.796 -2.388 12.667 1.00 0.00 C ATOM 142 O ASN A 17 -18.865 -3.149 12.835 1.00 0.00 O ATOM 143 CB ASN A 17 -21.422 -4.259 12.986 1.00 0.00 C ATOM 144 CG ASN A 17 -22.825 -4.625 13.473 1.00 0.00 C ATOM 145 OD1 ASN A 17 -23.425 -3.895 14.237 1.00 0.00 O ATOM 146 ND2 ASN A 17 -23.378 -5.732 13.060 1.00 0.00 N ATOM 0 H ASN A 17 -22.976 -1.593 12.822 1.00 0.00 H new ATOM 0 HA ASN A 17 -21.333 -2.466 14.176 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -21.298 -4.556 11.945 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.672 -4.800 13.563 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -24.314 -5.984 13.378 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -22.875 -6.345 12.419 1.00 0.00 H new ATOM 147 N GLY A 18 -19.629 -1.233 12.085 1.00 0.00 N ATOM 148 CA GLY A 18 -18.274 -0.827 11.614 1.00 0.00 C ATOM 149 C GLY A 18 -17.962 -1.533 10.294 1.00 0.00 C ATOM 150 O GLY A 18 -16.818 -1.760 9.953 1.00 0.00 O ATOM 0 H GLY A 18 -20.370 -0.553 11.915 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.232 0.254 11.480 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -17.525 -1.084 12.363 1.00 0.00 H new ATOM 151 N LYS A 19 -18.974 -1.884 9.550 1.00 0.00 N ATOM 152 CA LYS A 19 -18.745 -2.576 8.252 1.00 0.00 C ATOM 153 C LYS A 19 -19.578 -1.896 7.164 1.00 0.00 C ATOM 154 O LYS A 19 -20.692 -1.471 7.397 1.00 0.00 O ATOM 155 CB LYS A 19 -19.169 -4.041 8.378 1.00 0.00 C ATOM 156 CG LYS A 19 -18.574 -4.847 7.223 1.00 0.00 C ATOM 157 CD LYS A 19 -19.678 -5.654 6.538 1.00 0.00 C ATOM 158 CE LYS A 19 -19.083 -6.928 5.937 1.00 0.00 C ATOM 159 NZ LYS A 19 -18.643 -7.835 7.035 1.00 0.00 N ATOM 0 H LYS A 19 -19.953 -1.721 9.786 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.689 -2.524 7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -18.831 -4.448 9.331 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -20.256 -4.118 8.367 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.100 -4.177 6.505 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.798 -5.516 7.595 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.457 -5.908 7.257 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.148 -5.056 5.757 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.823 -7.428 5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.238 -6.680 5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.738 -8.824 6.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.649 -7.639 7.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -19.235 -7.676 7.875 1.00 0.00 H new ATOM 160 N LEU A 20 -19.048 -1.786 5.976 1.00 0.00 N ATOM 161 CA LEU A 20 -19.811 -1.128 4.878 1.00 0.00 C ATOM 162 C LEU A 20 -20.511 -2.192 4.031 1.00 0.00 C ATOM 163 O LEU A 20 -19.879 -2.943 3.314 1.00 0.00 O ATOM 164 CB LEU A 20 -18.848 -0.329 3.997 1.00 0.00 C ATOM 165 CG LEU A 20 -19.609 0.239 2.799 1.00 0.00 C ATOM 166 CD1 LEU A 20 -20.703 1.186 3.294 1.00 0.00 C ATOM 167 CD2 LEU A 20 -18.641 1.007 1.897 1.00 0.00 C ATOM 0 H LEU A 20 -18.120 -2.123 5.719 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.556 -0.458 5.306 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -18.397 0.480 4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.034 -0.969 3.655 1.00 0.00 H new ATOM 0 HG LEU A 20 -20.061 -0.577 2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -21.246 1.592 2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -21.393 0.640 3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -20.250 2.002 3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -19.183 1.412 1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -18.189 1.823 2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.860 0.333 1.545 1.00 0.00 H new ATOM 168 N PHE A 21 -21.812 -2.259 4.103 1.00 0.00 N ATOM 169 CA PHE A 21 -22.551 -3.271 3.299 1.00 0.00 C ATOM 170 C PHE A 21 -22.921 -2.672 1.941 1.00 0.00 C ATOM 171 O PHE A 21 -23.742 -1.781 1.849 1.00 0.00 O ATOM 172 CB PHE A 21 -23.827 -3.681 4.037 1.00 0.00 C ATOM 173 CG PHE A 21 -23.465 -4.440 5.290 1.00 0.00 C ATOM 174 CD1 PHE A 21 -22.991 -3.751 6.414 1.00 0.00 C ATOM 175 CD2 PHE A 21 -23.608 -5.831 5.332 1.00 0.00 C ATOM 176 CE1 PHE A 21 -22.659 -4.456 7.577 1.00 0.00 C ATOM 177 CE2 PHE A 21 -23.276 -6.536 6.495 1.00 0.00 C ATOM 178 CZ PHE A 21 -22.801 -5.848 7.618 1.00 0.00 C ATOM 0 H PHE A 21 -22.395 -1.656 4.684 1.00 0.00 H new ATOM 0 HA PHE A 21 -21.919 -4.147 3.152 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -24.412 -2.797 4.291 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -24.450 -4.301 3.391 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -22.882 -2.677 6.383 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -23.975 -6.362 4.466 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -22.293 -3.925 8.443 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -23.386 -7.610 6.526 1.00 0.00 H new ATOM 0 HZ PHE A 21 -22.544 -6.391 8.516 1.00 0.00 H new ATOM 179 N CYS A 22 -22.322 -3.153 0.886 1.00 0.00 N ATOM 180 CA CYS A 22 -22.642 -2.609 -0.463 1.00 0.00 C ATOM 181 C CYS A 22 -23.905 -3.291 -0.996 1.00 0.00 C ATOM 182 O CYS A 22 -23.971 -4.500 -1.101 1.00 0.00 O ATOM 183 CB CYS A 22 -21.474 -2.880 -1.411 1.00 0.00 C ATOM 184 SG CYS A 22 -19.917 -2.466 -0.586 1.00 0.00 S ATOM 0 H CYS A 22 -21.626 -3.898 0.900 1.00 0.00 H new ATOM 0 HA CYS A 22 -22.810 -1.534 -0.395 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -21.471 -3.928 -1.711 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -21.585 -2.288 -2.320 1.00 0.00 H new ATOM 185 N PRO A 23 -24.929 -2.493 -1.336 1.00 0.00 N ATOM 186 CA PRO A 23 -26.201 -3.009 -1.859 1.00 0.00 C ATOM 187 C PRO A 23 -26.049 -3.595 -3.266 1.00 0.00 C ATOM 188 O PRO A 23 -24.956 -3.740 -3.774 1.00 0.00 O ATOM 189 CB PRO A 23 -27.097 -1.771 -1.903 1.00 0.00 C ATOM 190 CG PRO A 23 -26.148 -0.627 -2.013 1.00 0.00 C ATOM 191 CD PRO A 23 -24.924 -1.023 -1.238 1.00 0.00 C ATOM 0 HA PRO A 23 -26.595 -3.818 -1.244 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -27.779 -1.804 -2.753 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -27.710 -1.693 -1.005 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -25.901 -0.425 -3.055 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -26.588 0.284 -1.607 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -24.019 -0.593 -1.667 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -24.976 -0.688 -0.202 1.00 0.00 H new ATOM 192 N GLN A 24 -27.141 -3.932 -3.897 1.00 0.00 N ATOM 193 CA GLN A 24 -27.065 -4.509 -5.270 1.00 0.00 C ATOM 194 C GLN A 24 -26.223 -3.594 -6.161 1.00 0.00 C ATOM 195 O GLN A 24 -25.570 -4.040 -7.083 1.00 0.00 O ATOM 196 CB GLN A 24 -28.475 -4.629 -5.849 1.00 0.00 C ATOM 197 CG GLN A 24 -29.291 -5.608 -5.002 1.00 0.00 C ATOM 198 CD GLN A 24 -30.725 -5.675 -5.537 1.00 0.00 C ATOM 199 OE1 GLN A 24 -31.140 -4.827 -6.301 1.00 0.00 O ATOM 200 NE2 GLN A 24 -31.503 -6.655 -5.164 1.00 0.00 N ATOM 0 H GLN A 24 -28.084 -3.833 -3.521 1.00 0.00 H new ATOM 0 HA GLN A 24 -26.605 -5.496 -5.226 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -28.959 -3.652 -5.863 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -28.428 -4.976 -6.881 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -28.835 -6.597 -5.030 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -29.295 -5.288 -3.960 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -31.154 -7.367 -4.522 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -32.459 -6.708 -5.514 1.00 0.00 H new ATOM 201 N ASP A 25 -26.233 -2.317 -5.892 1.00 0.00 N ATOM 202 CA ASP A 25 -25.434 -1.374 -6.723 1.00 0.00 C ATOM 203 C ASP A 25 -25.926 -1.420 -8.171 1.00 0.00 C ATOM 204 O ASP A 25 -25.148 -1.534 -9.097 1.00 0.00 O ATOM 205 CB ASP A 25 -23.958 -1.775 -6.675 1.00 0.00 C ATOM 206 CG ASP A 25 -23.395 -1.482 -5.283 1.00 0.00 C ATOM 207 OD1 ASP A 25 -24.010 -0.712 -4.567 1.00 0.00 O ATOM 208 OD2 ASP A 25 -22.358 -2.036 -4.958 1.00 0.00 O ATOM 0 H ASP A 25 -26.760 -1.886 -5.132 1.00 0.00 H new ATOM 0 HA ASP A 25 -25.550 -0.363 -6.333 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -23.850 -2.835 -6.907 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -23.396 -1.225 -7.430 1.00 0.00 H new ATOM 209 N LYS A 26 -27.212 -1.329 -8.377 1.00 0.00 N ATOM 210 CA LYS A 26 -27.746 -1.365 -9.768 1.00 0.00 C ATOM 211 C LYS A 26 -27.047 -0.294 -10.606 1.00 0.00 C ATOM 212 O LYS A 26 -26.857 -0.447 -11.797 1.00 0.00 O ATOM 213 CB LYS A 26 -29.251 -1.094 -9.747 1.00 0.00 C ATOM 214 CG LYS A 26 -29.969 -2.263 -9.068 1.00 0.00 C ATOM 215 CD LYS A 26 -31.482 -2.081 -9.206 1.00 0.00 C ATOM 216 CE LYS A 26 -32.201 -3.112 -8.333 1.00 0.00 C ATOM 217 NZ LYS A 26 -32.198 -2.649 -6.916 1.00 0.00 N ATOM 0 H LYS A 26 -27.914 -1.231 -7.644 1.00 0.00 H new ATOM 0 HA LYS A 26 -27.562 -2.348 -10.203 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -29.457 -0.167 -9.213 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -29.623 -0.966 -10.764 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -29.662 -3.205 -9.522 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -29.692 -2.312 -8.015 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -31.767 -1.073 -8.906 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -31.780 -2.200 -10.248 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -33.225 -3.248 -8.680 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -31.706 -4.080 -8.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -31.721 -3.356 -6.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -31.694 -1.742 -6.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -33.178 -2.526 -6.589 1.00 0.00 H new ATOM 218 N LYS A 27 -26.659 0.790 -9.992 1.00 0.00 N ATOM 219 CA LYS A 27 -25.970 1.871 -10.750 1.00 0.00 C ATOM 220 C LYS A 27 -24.599 2.133 -10.122 1.00 0.00 C ATOM 221 O LYS A 27 -24.456 2.963 -9.246 1.00 0.00 O ATOM 222 CB LYS A 27 -26.810 3.149 -10.694 1.00 0.00 C ATOM 223 CG LYS A 27 -26.352 4.110 -11.792 1.00 0.00 C ATOM 224 CD LYS A 27 -26.689 5.546 -11.384 1.00 0.00 C ATOM 225 CE LYS A 27 -27.899 6.034 -12.182 1.00 0.00 C ATOM 226 NZ LYS A 27 -28.087 7.495 -11.958 1.00 0.00 N ATOM 0 H LYS A 27 -26.790 0.973 -8.997 1.00 0.00 H new ATOM 0 HA LYS A 27 -25.844 1.566 -11.789 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -27.865 2.909 -10.823 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -26.708 3.621 -9.717 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -25.279 4.009 -11.955 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -26.842 3.863 -12.734 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -26.902 5.591 -10.316 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -25.834 6.197 -11.566 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -27.752 5.834 -13.243 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -28.793 5.491 -11.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -28.910 7.826 -12.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -28.245 7.673 -10.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -27.237 8.006 -12.271 1.00 0.00 H new ATOM 227 N PRO A 28 -23.574 1.403 -10.583 1.00 0.00 N ATOM 228 CA PRO A 28 -22.204 1.545 -10.072 1.00 0.00 C ATOM 229 C PRO A 28 -21.582 2.885 -10.475 1.00 0.00 C ATOM 230 O PRO A 28 -22.060 3.558 -11.368 1.00 0.00 O ATOM 231 CB PRO A 28 -21.451 0.396 -10.743 1.00 0.00 C ATOM 232 CG PRO A 28 -22.232 0.108 -11.982 1.00 0.00 C ATOM 233 CD PRO A 28 -23.670 0.381 -11.639 1.00 0.00 C ATOM 0 HA PRO A 28 -22.169 1.517 -8.983 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -20.425 0.678 -10.978 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -21.401 -0.478 -10.094 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -21.901 0.739 -12.807 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -22.096 -0.926 -12.297 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -24.228 0.744 -12.502 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -24.178 -0.517 -11.286 1.00 0.00 H new ATOM 234 N ILE A 29 -20.520 3.278 -9.826 1.00 0.00 N ATOM 235 CA ILE A 29 -19.873 4.575 -10.179 1.00 0.00 C ATOM 236 C ILE A 29 -18.443 4.307 -10.661 1.00 0.00 C ATOM 237 O ILE A 29 -17.895 3.243 -10.453 1.00 0.00 O ATOM 238 CB ILE A 29 -19.878 5.529 -8.951 1.00 0.00 C ATOM 239 CG1 ILE A 29 -18.453 5.749 -8.416 1.00 0.00 C ATOM 240 CG2 ILE A 29 -20.750 4.950 -7.829 1.00 0.00 C ATOM 241 CD1 ILE A 29 -17.919 4.453 -7.799 1.00 0.00 C ATOM 0 H ILE A 29 -20.073 2.760 -9.069 1.00 0.00 H new ATOM 0 HA ILE A 29 -20.431 5.060 -10.980 1.00 0.00 H new ATOM 0 HB ILE A 29 -20.286 6.486 -9.278 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -17.798 6.073 -9.225 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -18.455 6.543 -7.669 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -20.744 5.629 -6.976 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -21.772 4.828 -8.188 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -20.355 3.981 -7.524 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -16.909 4.618 -7.423 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -18.567 4.147 -6.978 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -17.900 3.670 -8.557 1.00 0.00 H new ATOM 242 N GLN A 30 -17.831 5.271 -11.292 1.00 0.00 N ATOM 243 CA GLN A 30 -16.434 5.078 -11.769 1.00 0.00 C ATOM 244 C GLN A 30 -15.486 5.347 -10.604 1.00 0.00 C ATOM 245 O GLN A 30 -15.649 6.303 -9.871 1.00 0.00 O ATOM 246 CB GLN A 30 -16.144 6.052 -12.912 1.00 0.00 C ATOM 247 CG GLN A 30 -16.999 5.678 -14.125 1.00 0.00 C ATOM 248 CD GLN A 30 -16.684 6.624 -15.285 1.00 0.00 C ATOM 249 OE1 GLN A 30 -16.022 7.626 -15.105 1.00 0.00 O ATOM 250 NE2 GLN A 30 -17.136 6.345 -16.478 1.00 0.00 N ATOM 0 H GLN A 30 -18.238 6.183 -11.497 1.00 0.00 H new ATOM 0 HA GLN A 30 -16.296 4.060 -12.133 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -16.363 7.073 -12.599 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -15.086 6.019 -13.174 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -16.801 4.647 -14.419 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -18.057 5.739 -13.870 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -17.692 5.503 -16.629 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -16.933 6.969 -17.259 1.00 0.00 H new ATOM 251 N SER A 31 -14.508 4.509 -10.402 1.00 0.00 N ATOM 252 CA SER A 31 -13.581 4.729 -9.259 1.00 0.00 C ATOM 253 C SER A 31 -12.539 5.788 -9.605 1.00 0.00 C ATOM 254 O SER A 31 -12.290 6.091 -10.755 1.00 0.00 O ATOM 255 CB SER A 31 -12.866 3.422 -8.912 1.00 0.00 C ATOM 256 OG SER A 31 -12.121 3.592 -7.715 1.00 0.00 O ATOM 0 H SER A 31 -14.312 3.688 -10.974 1.00 0.00 H new ATOM 0 HA SER A 31 -14.167 5.071 -8.406 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.593 2.619 -8.789 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.203 3.130 -9.727 1.00 0.00 H new ATOM 0 HG SER A 31 -12.241 2.807 -7.141 1.00 0.00 H new ATOM 257 N LEU A 32 -11.920 6.337 -8.598 1.00 0.00 N ATOM 258 CA LEU A 32 -10.874 7.370 -8.823 1.00 0.00 C ATOM 259 C LEU A 32 -9.513 6.750 -8.516 1.00 0.00 C ATOM 260 O LEU A 32 -8.479 7.286 -8.864 1.00 0.00 O ATOM 261 CB LEU A 32 -11.112 8.556 -7.885 1.00 0.00 C ATOM 262 CG LEU A 32 -12.506 9.138 -8.132 1.00 0.00 C ATOM 263 CD1 LEU A 32 -13.566 8.176 -7.595 1.00 0.00 C ATOM 264 CD2 LEU A 32 -12.629 10.481 -7.408 1.00 0.00 C ATOM 0 H LEU A 32 -12.097 6.111 -7.619 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.909 7.719 -9.855 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.020 8.235 -6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.353 9.321 -8.051 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.655 9.281 -9.202 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.558 8.592 -7.772 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.479 7.217 -8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.418 8.032 -6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.621 10.899 -7.582 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.480 10.333 -6.338 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.874 11.169 -7.788 1.00 0.00 H new ATOM 265 N ASP A 33 -9.507 5.616 -7.866 1.00 0.00 N ATOM 266 CA ASP A 33 -8.221 4.949 -7.536 1.00 0.00 C ATOM 267 C ASP A 33 -7.603 4.393 -8.820 1.00 0.00 C ATOM 268 O ASP A 33 -6.476 3.937 -8.833 1.00 0.00 O ATOM 269 CB ASP A 33 -8.481 3.803 -6.556 1.00 0.00 C ATOM 270 CG ASP A 33 -9.101 4.361 -5.273 1.00 0.00 C ATOM 271 OD1 ASP A 33 -8.996 5.558 -5.060 1.00 0.00 O ATOM 272 OD2 ASP A 33 -9.669 3.583 -4.525 1.00 0.00 O ATOM 0 H ASP A 33 -10.343 5.124 -7.550 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.538 5.666 -7.081 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.149 3.069 -7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.549 3.287 -6.328 1.00 0.00 H new ATOM 273 N GLY A 34 -8.337 4.424 -9.901 1.00 0.00 N ATOM 274 CA GLY A 34 -7.801 3.895 -11.186 1.00 0.00 C ATOM 275 C GLY A 34 -8.470 2.554 -11.493 1.00 0.00 C ATOM 276 O GLY A 34 -7.936 1.733 -12.212 1.00 0.00 O ATOM 0 H GLY A 34 -9.286 4.794 -9.948 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.991 4.603 -11.993 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.720 3.770 -11.119 1.00 0.00 H new ATOM 277 N ILE A 35 -9.636 2.323 -10.948 1.00 0.00 N ATOM 278 CA ILE A 35 -10.332 1.029 -11.207 1.00 0.00 C ATOM 279 C ILE A 35 -11.742 1.293 -11.741 1.00 0.00 C ATOM 280 O ILE A 35 -12.266 2.383 -11.637 1.00 0.00 O ATOM 281 CB ILE A 35 -10.430 0.236 -9.900 1.00 0.00 C ATOM 282 CG1 ILE A 35 -11.203 1.059 -8.861 1.00 0.00 C ATOM 283 CG2 ILE A 35 -9.022 -0.061 -9.382 1.00 0.00 C ATOM 284 CD1 ILE A 35 -10.974 0.482 -7.461 1.00 0.00 C ATOM 0 H ILE A 35 -10.134 2.971 -10.338 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.767 0.460 -11.945 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.955 -0.703 -10.078 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.877 2.099 -8.893 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -12.267 1.051 -9.097 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.088 -0.625 -8.452 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.477 -0.646 -10.123 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.496 0.876 -9.201 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.526 1.072 -6.730 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.322 -0.551 -7.432 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.911 0.513 -7.224 1.00 0.00 H new ATOM 285 N MET A 36 -12.366 0.294 -12.303 1.00 0.00 N ATOM 286 CA MET A 36 -13.748 0.475 -12.829 1.00 0.00 C ATOM 287 C MET A 36 -14.724 -0.186 -11.855 1.00 0.00 C ATOM 288 O MET A 36 -15.566 -0.974 -12.238 1.00 0.00 O ATOM 289 CB MET A 36 -13.869 -0.187 -14.204 1.00 0.00 C ATOM 290 CG MET A 36 -13.016 0.578 -15.218 1.00 0.00 C ATOM 291 SD MET A 36 -13.304 -0.092 -16.874 1.00 0.00 S ATOM 292 CE MET A 36 -15.017 0.465 -17.049 1.00 0.00 C ATOM 0 H MET A 36 -11.977 -0.642 -12.421 1.00 0.00 H new ATOM 0 HA MET A 36 -13.974 1.537 -12.928 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.543 -1.226 -14.149 1.00 0.00 H new ATOM 0 HB3 MET A 36 -14.911 -0.197 -14.524 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.267 1.638 -15.194 1.00 0.00 H new ATOM 0 HG3 MET A 36 -11.961 0.494 -14.958 1.00 0.00 H new ATOM 0 HE1 MET A 36 -15.159 0.901 -18.038 1.00 0.00 H new ATOM 0 HE2 MET A 36 -15.690 -0.384 -16.927 1.00 0.00 H new ATOM 0 HE3 MET A 36 -15.236 1.214 -16.288 1.00 0.00 H new ATOM 293 N PHE A 37 -14.597 0.116 -10.592 1.00 0.00 N ATOM 294 CA PHE A 37 -15.492 -0.506 -9.577 1.00 0.00 C ATOM 295 C PHE A 37 -16.138 0.582 -8.719 1.00 0.00 C ATOM 296 O PHE A 37 -15.659 1.696 -8.649 1.00 0.00 O ATOM 297 CB PHE A 37 -14.651 -1.416 -8.683 1.00 0.00 C ATOM 298 CG PHE A 37 -15.463 -1.862 -7.489 1.00 0.00 C ATOM 299 CD1 PHE A 37 -15.592 -1.019 -6.377 1.00 0.00 C ATOM 300 CD2 PHE A 37 -16.081 -3.118 -7.490 1.00 0.00 C ATOM 301 CE1 PHE A 37 -16.340 -1.433 -5.269 1.00 0.00 C ATOM 302 CE2 PHE A 37 -16.828 -3.532 -6.380 1.00 0.00 C ATOM 303 CZ PHE A 37 -16.959 -2.688 -5.270 1.00 0.00 C ATOM 0 H PHE A 37 -13.909 0.770 -10.218 1.00 0.00 H new ATOM 0 HA PHE A 37 -16.274 -1.079 -10.076 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.314 -2.285 -9.249 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -13.758 -0.887 -8.349 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -15.114 -0.050 -6.375 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -15.982 -3.768 -8.347 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -16.440 -0.783 -4.412 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -17.303 -4.502 -6.380 1.00 0.00 H new ATOM 0 HZ PHE A 37 -17.538 -3.006 -4.415 1.00 0.00 H new ATOM 304 N ILE A 38 -17.213 0.263 -8.052 1.00 0.00 N ATOM 305 CA ILE A 38 -17.877 1.276 -7.187 1.00 0.00 C ATOM 306 C ILE A 38 -16.904 1.701 -6.085 1.00 0.00 C ATOM 307 O ILE A 38 -16.979 1.240 -4.963 1.00 0.00 O ATOM 308 CB ILE A 38 -19.130 0.670 -6.555 1.00 0.00 C ATOM 309 CG1 ILE A 38 -20.033 0.103 -7.652 1.00 0.00 C ATOM 310 CG2 ILE A 38 -19.885 1.753 -5.781 1.00 0.00 C ATOM 311 CD1 ILE A 38 -21.160 -0.713 -7.013 1.00 0.00 C ATOM 0 H ILE A 38 -17.659 -0.654 -8.069 1.00 0.00 H new ATOM 0 HA ILE A 38 -18.161 2.142 -7.785 1.00 0.00 H new ATOM 0 HB ILE A 38 -18.842 -0.130 -5.873 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -20.450 0.913 -8.250 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -19.452 -0.525 -8.327 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -20.779 1.322 -5.330 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -19.242 2.156 -4.999 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -20.173 2.554 -6.462 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -21.804 -1.118 -7.794 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -20.733 -1.532 -6.434 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -21.746 -0.071 -6.355 1.00 0.00 H new ATOM 312 N ASN A 39 -15.981 2.567 -6.401 1.00 0.00 N ATOM 313 CA ASN A 39 -14.989 3.015 -5.383 1.00 0.00 C ATOM 314 C ASN A 39 -15.702 3.454 -4.107 1.00 0.00 C ATOM 315 O ASN A 39 -15.185 3.301 -3.023 1.00 0.00 O ATOM 316 CB ASN A 39 -14.190 4.190 -5.935 1.00 0.00 C ATOM 317 CG ASN A 39 -12.850 4.290 -5.203 1.00 0.00 C ATOM 318 OD1 ASN A 39 -12.431 3.359 -4.546 1.00 0.00 O ATOM 319 ND2 ASN A 39 -12.156 5.393 -5.290 1.00 0.00 N ATOM 0 H ASN A 39 -15.871 2.985 -7.325 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.322 2.184 -5.154 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.023 4.059 -7.004 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.753 5.115 -5.812 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.262 5.472 -4.806 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.508 6.175 -5.842 1.00 0.00 H new ATOM 320 N LYS A 40 -16.876 4.009 -4.219 1.00 0.00 N ATOM 321 CA LYS A 40 -17.590 4.455 -2.992 1.00 0.00 C ATOM 322 C LYS A 40 -17.494 3.363 -1.933 1.00 0.00 C ATOM 323 O LYS A 40 -17.237 3.624 -0.775 1.00 0.00 O ATOM 324 CB LYS A 40 -19.059 4.741 -3.314 1.00 0.00 C ATOM 325 CG LYS A 40 -19.154 5.900 -4.306 1.00 0.00 C ATOM 326 CD LYS A 40 -20.605 6.385 -4.378 1.00 0.00 C ATOM 327 CE LYS A 40 -20.714 7.524 -5.394 1.00 0.00 C ATOM 328 NZ LYS A 40 -21.824 7.232 -6.346 1.00 0.00 N ATOM 0 H LYS A 40 -17.368 4.172 -5.098 1.00 0.00 H new ATOM 0 HA LYS A 40 -17.130 5.369 -2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.529 3.851 -3.733 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -19.600 4.987 -2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.501 6.715 -3.995 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.816 5.579 -5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -21.260 5.563 -4.666 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.934 6.726 -3.397 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.899 8.468 -4.881 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.775 7.634 -5.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -21.479 7.331 -7.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -22.164 6.261 -6.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.604 7.901 -6.185 1.00 0.00 H new ATOM 329 N CYS A 41 -17.680 2.137 -2.325 1.00 0.00 N ATOM 330 CA CYS A 41 -17.579 1.021 -1.347 1.00 0.00 C ATOM 331 C CYS A 41 -16.109 0.618 -1.224 1.00 0.00 C ATOM 332 O CYS A 41 -15.687 0.048 -0.237 1.00 0.00 O ATOM 333 CB CYS A 41 -18.398 -0.170 -1.846 1.00 0.00 C ATOM 334 SG CYS A 41 -19.797 -0.454 -0.732 1.00 0.00 S ATOM 0 H CYS A 41 -17.898 1.858 -3.282 1.00 0.00 H new ATOM 0 HA CYS A 41 -17.963 1.335 -0.376 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -18.758 0.021 -2.857 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -17.772 -1.061 -1.894 1.00 0.00 H new ATOM 335 N ALA A 42 -15.329 0.916 -2.228 1.00 0.00 N ATOM 336 CA ALA A 42 -13.882 0.564 -2.188 1.00 0.00 C ATOM 337 C ALA A 42 -13.120 1.594 -1.349 1.00 0.00 C ATOM 338 O ALA A 42 -12.076 1.304 -0.800 1.00 0.00 O ATOM 339 CB ALA A 42 -13.321 0.553 -3.610 1.00 0.00 C ATOM 0 H ALA A 42 -15.634 1.390 -3.078 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.765 -0.423 -1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.262 0.296 -3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.858 -0.184 -4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.442 1.540 -4.057 1.00 0.00 H new ATOM 340 N THR A 43 -13.624 2.796 -1.250 1.00 0.00 N ATOM 341 CA THR A 43 -12.911 3.831 -0.450 1.00 0.00 C ATOM 342 C THR A 43 -13.665 4.062 0.860 1.00 0.00 C ATOM 343 O THR A 43 -13.076 4.317 1.891 1.00 0.00 O ATOM 344 CB THR A 43 -12.847 5.137 -1.246 1.00 0.00 C ATOM 345 OG1 THR A 43 -14.051 5.299 -1.983 1.00 0.00 O ATOM 346 CG2 THR A 43 -11.656 5.095 -2.210 1.00 0.00 C ATOM 0 H THR A 43 -14.493 3.103 -1.686 1.00 0.00 H new ATOM 0 HA THR A 43 -11.898 3.494 -0.232 1.00 0.00 H new ATOM 0 HB THR A 43 -12.724 5.975 -0.560 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.150 4.557 -2.615 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.613 6.026 -2.776 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.733 4.971 -1.643 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.774 4.258 -2.898 1.00 0.00 H new ATOM 347 N CYS A 44 -14.964 3.967 0.827 1.00 0.00 N ATOM 348 CA CYS A 44 -15.761 4.172 2.069 1.00 0.00 C ATOM 349 C CYS A 44 -15.537 2.990 3.012 1.00 0.00 C ATOM 350 O CYS A 44 -15.555 3.132 4.219 1.00 0.00 O ATOM 351 CB CYS A 44 -17.245 4.260 1.709 1.00 0.00 C ATOM 352 SG CYS A 44 -18.207 4.764 3.161 1.00 0.00 S ATOM 0 H CYS A 44 -15.510 3.756 -0.008 1.00 0.00 H new ATOM 0 HA CYS A 44 -15.449 5.095 2.558 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -17.390 4.976 0.900 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -17.597 3.294 1.346 1.00 0.00 H new ATOM 353 N LYS A 45 -15.328 1.821 2.469 1.00 0.00 N ATOM 354 CA LYS A 45 -15.103 0.629 3.332 1.00 0.00 C ATOM 355 C LYS A 45 -13.677 0.666 3.884 1.00 0.00 C ATOM 356 O LYS A 45 -13.409 0.200 4.974 1.00 0.00 O ATOM 357 CB LYS A 45 -15.300 -0.642 2.503 1.00 0.00 C ATOM 358 CG LYS A 45 -15.167 -1.869 3.405 1.00 0.00 C ATOM 359 CD LYS A 45 -15.184 -3.133 2.545 1.00 0.00 C ATOM 360 CE LYS A 45 -15.225 -4.366 3.449 1.00 0.00 C ATOM 361 NZ LYS A 45 -13.906 -5.057 3.406 1.00 0.00 N ATOM 0 H LYS A 45 -15.304 1.641 1.465 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.813 0.635 4.159 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -16.282 -0.631 2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.561 -0.685 1.703 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.240 -1.816 3.976 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.984 -1.895 4.126 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.051 -3.124 1.885 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.299 -3.165 1.909 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.461 -4.073 4.472 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.014 -5.044 3.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.933 -5.896 4.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.699 -5.350 2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.163 -4.409 3.738 1.00 0.00 H new ATOM 362 N MET A 46 -12.758 1.221 3.141 1.00 0.00 N ATOM 363 CA MET A 46 -11.352 1.292 3.626 1.00 0.00 C ATOM 364 C MET A 46 -11.193 2.510 4.534 1.00 0.00 C ATOM 365 O MET A 46 -10.343 2.545 5.402 1.00 0.00 O ATOM 366 CB MET A 46 -10.405 1.420 2.431 1.00 0.00 C ATOM 367 CG MET A 46 -10.464 0.140 1.595 1.00 0.00 C ATOM 368 SD MET A 46 -10.054 -1.283 2.636 1.00 0.00 S ATOM 369 CE MET A 46 -8.436 -0.694 3.197 1.00 0.00 C ATOM 0 H MET A 46 -12.921 1.628 2.220 1.00 0.00 H new ATOM 0 HA MET A 46 -11.112 0.386 4.183 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.686 2.279 1.821 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.386 1.594 2.777 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.460 0.017 1.169 1.00 0.00 H new ATOM 0 HG3 MET A 46 -9.766 0.206 0.760 1.00 0.00 H new ATOM 0 HE1 MET A 46 -7.796 -1.547 3.423 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.976 -0.093 2.413 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.561 -0.087 4.094 1.00 0.00 H new ATOM 370 N ILE A 47 -12.008 3.512 4.344 1.00 0.00 N ATOM 371 CA ILE A 47 -11.909 4.728 5.197 1.00 0.00 C ATOM 372 C ILE A 47 -12.862 4.590 6.385 1.00 0.00 C ATOM 373 O ILE A 47 -12.781 5.326 7.348 1.00 0.00 O ATOM 374 CB ILE A 47 -12.291 5.960 4.373 1.00 0.00 C ATOM 375 CG1 ILE A 47 -12.056 7.223 5.203 1.00 0.00 C ATOM 376 CG2 ILE A 47 -13.767 5.876 3.984 1.00 0.00 C ATOM 377 CD1 ILE A 47 -10.553 7.476 5.332 1.00 0.00 C ATOM 0 H ILE A 47 -12.739 3.540 3.633 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.888 4.839 5.561 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.678 5.997 3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.540 8.077 4.730 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.503 7.110 6.191 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -14.039 6.753 3.397 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.937 4.977 3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -14.379 5.838 4.885 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.385 8.376 5.923 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.082 6.625 5.824 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.120 7.607 4.340 1.00 0.00 H new ATOM 378 N LEU A 48 -13.764 3.649 6.325 1.00 0.00 N ATOM 379 CA LEU A 48 -14.721 3.461 7.451 1.00 0.00 C ATOM 380 C LEU A 48 -14.043 2.656 8.562 1.00 0.00 C ATOM 381 O LEU A 48 -14.345 2.814 9.728 1.00 0.00 O ATOM 382 CB LEU A 48 -15.954 2.705 6.950 1.00 0.00 C ATOM 383 CG LEU A 48 -16.992 3.708 6.438 1.00 0.00 C ATOM 384 CD1 LEU A 48 -18.177 2.954 5.831 1.00 0.00 C ATOM 385 CD2 LEU A 48 -17.479 4.576 7.599 1.00 0.00 C ATOM 0 H LEU A 48 -13.879 3.002 5.545 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.025 4.433 7.839 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.673 2.017 6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.378 2.105 7.755 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.538 4.342 5.676 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.915 3.669 5.467 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -17.830 2.337 5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -18.632 2.318 6.591 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -18.218 5.290 7.235 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.932 3.943 8.362 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.635 5.115 8.029 1.00 0.00 H new ATOM 386 N GLU A 49 -13.127 1.796 8.209 1.00 0.00 N ATOM 387 CA GLU A 49 -12.429 0.986 9.247 1.00 0.00 C ATOM 388 C GLU A 49 -11.559 1.907 10.105 1.00 0.00 C ATOM 389 O GLU A 49 -11.351 1.665 11.277 1.00 0.00 O ATOM 390 CB GLU A 49 -11.545 -0.063 8.569 1.00 0.00 C ATOM 391 CG GLU A 49 -12.422 -1.036 7.777 1.00 0.00 C ATOM 392 CD GLU A 49 -11.530 -2.025 7.023 1.00 0.00 C ATOM 393 OE1 GLU A 49 -10.330 -1.810 6.997 1.00 0.00 O ATOM 394 OE2 GLU A 49 -12.064 -2.980 6.484 1.00 0.00 O ATOM 0 H GLU A 49 -12.832 1.620 7.249 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.166 0.486 9.876 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.831 0.423 7.904 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.967 -0.605 9.317 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.090 -1.572 8.451 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.050 -0.488 7.075 1.00 0.00 H new ATOM 395 N LYS A 50 -11.051 2.962 9.528 1.00 0.00 N ATOM 396 CA LYS A 50 -10.196 3.900 10.309 1.00 0.00 C ATOM 397 C LYS A 50 -10.978 4.414 11.519 1.00 0.00 C ATOM 398 O LYS A 50 -10.430 4.612 12.585 1.00 0.00 O ATOM 399 CB LYS A 50 -9.795 5.081 9.421 1.00 0.00 C ATOM 400 CG LYS A 50 -8.903 4.581 8.283 1.00 0.00 C ATOM 401 CD LYS A 50 -8.333 5.777 7.517 1.00 0.00 C ATOM 402 CE LYS A 50 -7.641 5.282 6.245 1.00 0.00 C ATOM 403 NZ LYS A 50 -6.620 6.278 5.813 1.00 0.00 N ATOM 0 H LYS A 50 -11.191 3.215 8.550 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.301 3.380 10.650 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.684 5.564 9.016 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.266 5.830 10.010 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.092 3.972 8.683 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.477 3.945 7.610 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.131 6.474 7.262 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.624 6.319 8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.168 4.317 6.428 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.376 5.132 5.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.150 5.941 4.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.083 7.190 5.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.913 6.400 6.566 1.00 0.00 H new ATOM 404 N GLU A 51 -12.256 4.630 11.362 1.00 0.00 N ATOM 405 CA GLU A 51 -13.071 5.130 12.504 1.00 0.00 C ATOM 406 C GLU A 51 -13.110 4.067 13.603 1.00 0.00 C ATOM 407 O GLU A 51 -13.180 4.375 14.776 1.00 0.00 O ATOM 408 CB GLU A 51 -14.494 5.424 12.025 1.00 0.00 C ATOM 409 CG GLU A 51 -14.461 6.559 11.001 1.00 0.00 C ATOM 410 CD GLU A 51 -15.890 6.892 10.564 1.00 0.00 C ATOM 411 OE1 GLU A 51 -16.786 6.144 10.918 1.00 0.00 O ATOM 412 OE2 GLU A 51 -16.062 7.888 9.881 1.00 0.00 O ATOM 0 H GLU A 51 -12.770 4.482 10.493 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.626 6.044 12.898 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.932 4.530 11.580 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.124 5.700 12.870 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.987 7.440 11.433 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.864 6.267 10.137 1.00 0.00 H new ATOM 413 N ALA A 52 -13.066 2.815 13.233 1.00 0.00 N ATOM 414 CA ALA A 52 -13.100 1.734 14.257 1.00 0.00 C ATOM 415 C ALA A 52 -11.849 1.826 15.133 1.00 0.00 C ATOM 416 O ALA A 52 -11.855 1.440 16.284 1.00 0.00 O ATOM 417 CB ALA A 52 -13.136 0.372 13.560 1.00 0.00 C ATOM 0 H ALA A 52 -13.008 2.495 12.266 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.989 1.847 14.878 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.161 -0.419 14.309 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.026 0.307 12.934 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.247 0.257 12.940 1.00 0.00 H new ATOM 418 N LYS A 53 -10.775 2.337 14.596 1.00 0.00 N ATOM 419 CA LYS A 53 -9.525 2.456 15.397 1.00 0.00 C ATOM 420 C LYS A 53 -9.761 3.411 16.570 1.00 0.00 C ATOM 421 O LYS A 53 -9.193 3.258 17.632 1.00 0.00 O ATOM 422 CB LYS A 53 -8.402 3.002 14.514 1.00 0.00 C ATOM 423 CG LYS A 53 -8.061 1.977 13.430 1.00 0.00 C ATOM 424 CD LYS A 53 -6.845 2.458 12.637 1.00 0.00 C ATOM 425 CE LYS A 53 -6.590 1.506 11.466 1.00 0.00 C ATOM 426 NZ LYS A 53 -5.163 1.076 11.477 1.00 0.00 N ATOM 0 H LYS A 53 -10.710 2.677 13.637 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.243 1.474 15.777 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.709 3.942 14.056 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.520 3.215 15.119 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.852 1.008 13.884 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.912 1.840 12.763 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.016 3.469 12.267 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.969 2.499 13.284 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.243 0.637 11.541 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.825 2.001 10.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.989 0.429 10.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.548 1.910 11.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.954 0.588 12.372 1.00 0.00 H new ATOM 427 N SER A 54 -10.598 4.395 16.384 1.00 0.00 N ATOM 428 CA SER A 54 -10.871 5.359 17.487 1.00 0.00 C ATOM 429 C SER A 54 -11.470 4.611 18.679 1.00 0.00 C ATOM 430 O SER A 54 -11.313 5.008 19.816 1.00 0.00 O ATOM 431 CB SER A 54 -11.859 6.421 17.003 1.00 0.00 C ATOM 432 OG SER A 54 -11.363 7.023 15.816 1.00 0.00 O ATOM 0 H SER A 54 -11.104 4.573 15.516 1.00 0.00 H new ATOM 0 HA SER A 54 -9.941 5.840 17.789 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.833 5.968 16.815 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.003 7.177 17.774 1.00 0.00 H new ATOM 0 HG SER A 54 -11.997 7.703 15.504 1.00 0.00 H new ATOM 433 N GLN A 55 -12.156 3.529 18.429 1.00 0.00 N ATOM 434 CA GLN A 55 -12.766 2.756 19.548 1.00 0.00 C ATOM 435 C GLN A 55 -13.455 3.718 20.518 1.00 0.00 C ATOM 436 O GLN A 55 -12.791 4.190 21.426 1.00 0.00 O ATOM 437 CB GLN A 55 -11.672 1.983 20.287 1.00 0.00 C ATOM 438 CG GLN A 55 -11.052 0.949 19.344 1.00 0.00 C ATOM 439 CD GLN A 55 -9.912 0.223 20.062 1.00 0.00 C ATOM 440 OE1 GLN A 55 -9.417 0.690 21.068 1.00 0.00 O ATOM 441 NE2 GLN A 55 -9.471 -0.908 19.583 1.00 0.00 N ATOM 442 OXT GLN A 55 -14.636 3.965 20.336 1.00 0.00 O ATOM 0 H GLN A 55 -12.320 3.147 17.498 1.00 0.00 H new ATOM 0 HA GLN A 55 -13.500 2.056 19.149 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.905 2.670 20.645 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.091 1.487 21.163 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.809 0.233 19.024 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.677 1.439 18.446 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.886 -1.301 18.738 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.711 -1.399 20.053 1.00 0.00 H new TER 443 GLN A 55