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 5 GLN : amide:sc= -2.43! C(o=-2.4!,f=-3.9!) USER MOD Set 1.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 39 ASN : amide:sc= -8.1! C(o=-8.4!,f=-5.3!) USER MOD Set 2.2: A 43 THR OG1 : rot -70:sc= -0.326 USER MOD Single : A 1 LYS N :NH3+ -164:sc= -0.0211 (180deg=-0.331) USER MOD Single : A 1 LYS NZ :NH3+ -162:sc= -0.0246 (180deg=-0.474) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -2.23! C(o=-2.2!,f=-4.9!) USER MOD Single : A 12 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.7!) USER MOD Single : A 15 MET CE :methyl -151:sc= -0.455 (180deg=-2.3!) USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= -0.238 (180deg=-1.04) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 19 LYS NZ :NH3+ 149:sc= -0.459 (180deg=-2.3!) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -129:sc= -0.0799 (180deg=-1.8!) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 31 SER OG : rot 76:sc= -3.84! USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 162:sc= -0.0871 (180deg=-0.588) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 145:sc= -0.206 (180deg=-1.1) 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=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.642 17.444 -0.139 1.00 0.00 N ATOM 2 CA LYS A 1 -9.094 17.393 -0.473 1.00 0.00 C ATOM 3 C LYS A 1 -9.667 16.039 -0.051 1.00 0.00 C ATOM 4 O LYS A 1 -10.462 15.948 0.864 1.00 0.00 O ATOM 5 CB LYS A 1 -9.277 17.577 -1.981 1.00 0.00 C ATOM 6 CG LYS A 1 -8.809 18.977 -2.384 1.00 0.00 C ATOM 7 CD LYS A 1 -9.106 19.206 -3.867 1.00 0.00 C ATOM 8 CE LYS A 1 -8.511 20.547 -4.304 1.00 0.00 C ATOM 9 NZ LYS A 1 -9.093 21.641 -3.476 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.314 18.430 -0.168 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.491 17.057 0.814 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.107 16.880 -0.830 1.00 0.00 H new ATOM 0 HA LYS A 1 -9.617 18.190 0.056 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.707 16.822 -2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -10.324 17.440 -2.251 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -9.316 19.730 -1.780 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.741 19.083 -2.195 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.684 18.397 -4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.182 19.200 -4.039 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -7.427 20.530 -4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.721 20.724 -5.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -8.940 22.554 -3.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -10.113 21.480 -3.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.633 21.653 -2.544 1.00 0.00 H new ATOM 10 N ASN A 2 -9.271 14.985 -0.710 1.00 0.00 N ATOM 11 CA ASN A 2 -9.794 13.638 -0.346 1.00 0.00 C ATOM 12 C ASN A 2 -11.321 13.641 -0.444 1.00 0.00 C ATOM 13 O ASN A 2 -12.012 13.265 0.482 1.00 0.00 O ATOM 14 CB ASN A 2 -9.377 13.299 1.088 1.00 0.00 C ATOM 15 CG ASN A 2 -7.850 13.271 1.181 1.00 0.00 C ATOM 16 OD1 ASN A 2 -7.170 13.139 0.183 1.00 0.00 O ATOM 17 ND2 ASN A 2 -7.279 13.391 2.349 1.00 0.00 N ATOM 0 H ASN A 2 -8.608 14.998 -1.485 1.00 0.00 H new ATOM 0 HA ASN A 2 -9.386 12.893 -1.029 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -9.781 14.038 1.780 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.788 12.332 1.379 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.262 13.374 2.424 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.850 13.502 3.187 1.00 0.00 H new ATOM 18 N GLU A 3 -11.854 14.062 -1.558 1.00 0.00 N ATOM 19 CA GLU A 3 -13.336 14.087 -1.709 1.00 0.00 C ATOM 20 C GLU A 3 -13.876 12.657 -1.666 1.00 0.00 C ATOM 21 O GLU A 3 -14.969 12.410 -1.195 1.00 0.00 O ATOM 22 CB GLU A 3 -13.703 14.729 -3.049 1.00 0.00 C ATOM 23 CG GLU A 3 -15.218 14.934 -3.116 1.00 0.00 C ATOM 24 CD GLU A 3 -15.594 15.518 -4.479 1.00 0.00 C ATOM 25 OE1 GLU A 3 -14.695 15.748 -5.272 1.00 0.00 O ATOM 26 OE2 GLU A 3 -16.774 15.725 -4.706 1.00 0.00 O ATOM 0 H GLU A 3 -11.328 14.389 -2.369 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.774 14.667 -0.896 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.190 15.685 -3.160 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.374 14.094 -3.871 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.731 13.985 -2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.541 15.605 -2.320 1.00 0.00 H new ATOM 27 N ASP A 4 -13.120 11.710 -2.151 1.00 0.00 N ATOM 28 CA ASP A 4 -13.593 10.298 -2.133 1.00 0.00 C ATOM 29 C ASP A 4 -13.941 9.899 -0.699 1.00 0.00 C ATOM 30 O ASP A 4 -14.804 9.076 -0.464 1.00 0.00 O ATOM 31 CB ASP A 4 -12.490 9.381 -2.664 1.00 0.00 C ATOM 32 CG ASP A 4 -11.904 9.979 -3.945 1.00 0.00 C ATOM 33 OD1 ASP A 4 -12.627 10.682 -4.631 1.00 0.00 O ATOM 34 OD2 ASP A 4 -10.744 9.722 -4.219 1.00 0.00 O ATOM 0 H ASP A 4 -12.196 11.854 -2.558 1.00 0.00 H new ATOM 0 HA ASP A 4 -14.477 10.203 -2.764 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.708 9.263 -1.914 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -12.893 8.388 -2.864 1.00 0.00 H new ATOM 35 N GLN A 5 -13.278 10.478 0.264 1.00 0.00 N ATOM 36 CA GLN A 5 -13.573 10.134 1.682 1.00 0.00 C ATOM 37 C GLN A 5 -15.020 10.512 2.004 1.00 0.00 C ATOM 38 O GLN A 5 -15.702 9.827 2.740 1.00 0.00 O ATOM 39 CB GLN A 5 -12.625 10.908 2.601 1.00 0.00 C ATOM 40 CG GLN A 5 -11.196 10.394 2.409 1.00 0.00 C ATOM 41 CD GLN A 5 -10.250 11.161 3.337 1.00 0.00 C ATOM 42 OE1 GLN A 5 -10.608 12.192 3.871 1.00 0.00 O ATOM 43 NE2 GLN A 5 -9.050 10.696 3.552 1.00 0.00 N ATOM 0 H GLN A 5 -12.545 11.174 0.129 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.433 9.064 1.836 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -12.673 11.974 2.376 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -12.930 10.787 3.641 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.150 9.327 2.626 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.888 10.522 1.371 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.750 9.830 3.103 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.411 11.198 4.169 1.00 0.00 H new ATOM 44 N GLU A 6 -15.496 11.596 1.454 1.00 0.00 N ATOM 45 CA GLU A 6 -16.901 12.014 1.726 1.00 0.00 C ATOM 46 C GLU A 6 -17.858 10.971 1.147 1.00 0.00 C ATOM 47 O GLU A 6 -18.899 10.691 1.706 1.00 0.00 O ATOM 48 CB GLU A 6 -17.167 13.371 1.072 1.00 0.00 C ATOM 49 CG GLU A 6 -18.565 13.855 1.458 1.00 0.00 C ATOM 50 CD GLU A 6 -18.886 15.146 0.704 1.00 0.00 C ATOM 51 OE1 GLU A 6 -18.054 15.574 -0.080 1.00 0.00 O ATOM 52 OE2 GLU A 6 -19.959 15.687 0.921 1.00 0.00 O ATOM 0 H GLU A 6 -14.973 12.210 0.829 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.056 12.096 2.802 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.418 14.095 1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.085 13.287 -0.012 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.304 13.090 1.221 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.618 14.027 2.533 1.00 0.00 H new ATOM 53 N MET A 7 -17.513 10.393 0.028 1.00 0.00 N ATOM 54 CA MET A 7 -18.402 9.367 -0.585 1.00 0.00 C ATOM 55 C MET A 7 -18.592 8.209 0.394 1.00 0.00 C ATOM 56 O MET A 7 -19.613 7.552 0.405 1.00 0.00 O ATOM 57 CB MET A 7 -17.763 8.841 -1.873 1.00 0.00 C ATOM 58 CG MET A 7 -17.745 9.951 -2.925 1.00 0.00 C ATOM 59 SD MET A 7 -17.048 9.306 -4.467 1.00 0.00 S ATOM 60 CE MET A 7 -16.986 10.877 -5.364 1.00 0.00 C ATOM 0 H MET A 7 -16.654 10.587 -0.487 1.00 0.00 H new ATOM 0 HA MET A 7 -19.369 9.815 -0.814 1.00 0.00 H new ATOM 0 HB2 MET A 7 -16.748 8.498 -1.674 1.00 0.00 H new ATOM 0 HB3 MET A 7 -18.322 7.982 -2.245 1.00 0.00 H new ATOM 0 HG2 MET A 7 -18.756 10.321 -3.097 1.00 0.00 H new ATOM 0 HG3 MET A 7 -17.153 10.794 -2.570 1.00 0.00 H new ATOM 0 HE1 MET A 7 -16.579 10.711 -6.362 1.00 0.00 H new ATOM 0 HE2 MET A 7 -17.992 11.289 -5.446 1.00 0.00 H new ATOM 0 HE3 MET A 7 -16.349 11.579 -4.825 1.00 0.00 H new ATOM 61 N CYS A 8 -17.613 7.955 1.219 1.00 0.00 N ATOM 62 CA CYS A 8 -17.735 6.839 2.199 1.00 0.00 C ATOM 63 C CYS A 8 -18.851 7.157 3.194 1.00 0.00 C ATOM 64 O CYS A 8 -19.601 6.291 3.600 1.00 0.00 O ATOM 65 CB CYS A 8 -16.412 6.673 2.949 1.00 0.00 C ATOM 66 SG CYS A 8 -16.566 5.334 4.156 1.00 0.00 S ATOM 0 H CYS A 8 -16.734 8.472 1.257 1.00 0.00 H new ATOM 0 HA CYS A 8 -17.971 5.914 1.672 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -15.609 6.453 2.246 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -16.148 7.603 3.453 1.00 0.00 H new ATOM 67 N HIS A 9 -18.969 8.393 3.590 1.00 0.00 N ATOM 68 CA HIS A 9 -20.037 8.769 4.558 1.00 0.00 C ATOM 69 C HIS A 9 -21.361 8.131 4.129 1.00 0.00 C ATOM 70 O HIS A 9 -22.018 7.461 4.900 1.00 0.00 O ATOM 71 CB HIS A 9 -20.181 10.296 4.580 1.00 0.00 C ATOM 72 CG HIS A 9 -21.471 10.678 5.256 1.00 0.00 C ATOM 73 ND1 HIS A 9 -22.705 10.451 4.669 1.00 0.00 N ATOM 74 CD2 HIS A 9 -21.734 11.272 6.465 1.00 0.00 C ATOM 75 CE1 HIS A 9 -23.646 10.902 5.516 1.00 0.00 C ATOM 76 NE2 HIS A 9 -23.109 11.414 6.627 1.00 0.00 N ATOM 0 H HIS A 9 -18.371 9.161 3.285 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.774 8.414 5.554 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.338 10.742 5.107 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -20.164 10.687 3.563 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -20.988 11.582 7.181 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.707 10.856 5.322 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.601 11.821 7.422 1.00 0.00 H new ATOM 77 N GLU A 10 -21.761 8.339 2.905 1.00 0.00 N ATOM 78 CA GLU A 10 -23.045 7.751 2.429 1.00 0.00 C ATOM 79 C GLU A 10 -23.044 6.238 2.664 1.00 0.00 C ATOM 80 O GLU A 10 -24.058 5.653 2.990 1.00 0.00 O ATOM 81 CB GLU A 10 -23.212 8.033 0.935 1.00 0.00 C ATOM 82 CG GLU A 10 -24.561 7.486 0.464 1.00 0.00 C ATOM 83 CD GLU A 10 -24.653 7.596 -1.060 1.00 0.00 C ATOM 84 OE1 GLU A 10 -23.679 8.014 -1.664 1.00 0.00 O ATOM 85 OE2 GLU A 10 -25.696 7.259 -1.596 1.00 0.00 O ATOM 0 H GLU A 10 -21.254 8.891 2.213 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.871 8.200 2.981 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -23.156 9.105 0.747 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -22.402 7.568 0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -24.671 6.446 0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -25.374 8.044 0.929 1.00 0.00 H new ATOM 86 N PHE A 11 -21.919 5.596 2.499 1.00 0.00 N ATOM 87 CA PHE A 11 -21.871 4.121 2.712 1.00 0.00 C ATOM 88 C PHE A 11 -21.827 3.821 4.213 1.00 0.00 C ATOM 89 O PHE A 11 -22.042 2.704 4.638 1.00 0.00 O ATOM 90 CB PHE A 11 -20.624 3.538 2.040 1.00 0.00 C ATOM 91 CG PHE A 11 -21.033 2.573 0.949 1.00 0.00 C ATOM 92 CD1 PHE A 11 -22.166 1.768 1.114 1.00 0.00 C ATOM 93 CD2 PHE A 11 -20.276 2.482 -0.226 1.00 0.00 C ATOM 94 CE1 PHE A 11 -22.545 0.876 0.105 1.00 0.00 C ATOM 95 CE2 PHE A 11 -20.655 1.589 -1.235 1.00 0.00 C ATOM 96 CZ PHE A 11 -21.790 0.786 -1.070 1.00 0.00 C ATOM 0 H PHE A 11 -21.035 6.027 2.227 1.00 0.00 H new ATOM 0 HA PHE A 11 -22.761 3.668 2.274 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -20.018 4.340 1.620 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -20.008 3.026 2.779 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -22.748 1.835 2.021 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -19.400 3.101 -0.353 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -23.420 0.257 0.233 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -20.072 1.519 -2.141 1.00 0.00 H new ATOM 0 HZ PHE A 11 -22.083 0.098 -1.849 1.00 0.00 H new ATOM 97 N GLN A 12 -21.548 4.809 5.018 1.00 0.00 N ATOM 98 CA GLN A 12 -21.491 4.576 6.489 1.00 0.00 C ATOM 99 C GLN A 12 -22.885 4.211 7.002 1.00 0.00 C ATOM 100 O GLN A 12 -23.032 3.491 7.970 1.00 0.00 O ATOM 101 CB GLN A 12 -21.007 5.847 7.189 1.00 0.00 C ATOM 102 CG GLN A 12 -20.937 5.603 8.698 1.00 0.00 C ATOM 103 CD GLN A 12 -20.536 6.899 9.407 1.00 0.00 C ATOM 104 OE1 GLN A 12 -20.238 7.888 8.767 1.00 0.00 O ATOM 105 NE2 GLN A 12 -20.517 6.935 10.711 1.00 0.00 N ATOM 0 H GLN A 12 -21.357 5.766 4.722 1.00 0.00 H new ATOM 0 HA GLN A 12 -20.800 3.760 6.701 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -20.026 6.132 6.810 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -21.684 6.674 6.974 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -21.903 5.258 9.067 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -20.214 4.817 8.917 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -20.767 6.105 11.248 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -20.252 7.794 11.194 1.00 0.00 H new ATOM 106 N ALA A 13 -23.913 4.701 6.363 1.00 0.00 N ATOM 107 CA ALA A 13 -25.295 4.380 6.816 1.00 0.00 C ATOM 108 C ALA A 13 -25.645 2.946 6.409 1.00 0.00 C ATOM 109 O ALA A 13 -26.475 2.303 7.020 1.00 0.00 O ATOM 110 CB ALA A 13 -26.284 5.351 6.169 1.00 0.00 C ATOM 0 H ALA A 13 -23.854 5.310 5.547 1.00 0.00 H new ATOM 0 HA ALA A 13 -25.353 4.474 7.900 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -27.295 5.115 6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -26.035 6.372 6.460 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -26.228 5.259 5.084 1.00 0.00 H new ATOM 111 N PHE A 14 -25.019 2.442 5.382 1.00 0.00 N ATOM 112 CA PHE A 14 -25.317 1.052 4.937 1.00 0.00 C ATOM 113 C PHE A 14 -24.427 0.067 5.700 1.00 0.00 C ATOM 114 O PHE A 14 -24.521 -1.132 5.523 1.00 0.00 O ATOM 115 CB PHE A 14 -25.043 0.924 3.438 1.00 0.00 C ATOM 116 CG PHE A 14 -26.040 1.757 2.670 1.00 0.00 C ATOM 117 CD1 PHE A 14 -27.320 1.253 2.410 1.00 0.00 C ATOM 118 CD2 PHE A 14 -25.684 3.032 2.215 1.00 0.00 C ATOM 119 CE1 PHE A 14 -28.245 2.026 1.696 1.00 0.00 C ATOM 120 CE2 PHE A 14 -26.609 3.805 1.502 1.00 0.00 C ATOM 121 CZ PHE A 14 -27.889 3.301 1.242 1.00 0.00 C ATOM 0 H PHE A 14 -24.314 2.932 4.832 1.00 0.00 H new ATOM 0 HA PHE A 14 -26.365 0.827 5.137 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -24.029 1.254 3.214 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -25.114 -0.120 3.133 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -27.594 0.269 2.760 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -24.696 3.420 2.414 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -29.233 1.638 1.496 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -26.335 4.790 1.153 1.00 0.00 H new ATOM 0 HZ PHE A 14 -28.602 3.896 0.691 1.00 0.00 H new ATOM 122 N MET A 15 -23.562 0.560 6.546 1.00 0.00 N ATOM 123 CA MET A 15 -22.671 -0.354 7.315 1.00 0.00 C ATOM 124 C MET A 15 -23.445 -0.938 8.499 1.00 0.00 C ATOM 125 O MET A 15 -24.079 -0.223 9.250 1.00 0.00 O ATOM 126 CB MET A 15 -21.460 0.426 7.832 1.00 0.00 C ATOM 127 CG MET A 15 -20.293 -0.538 8.058 1.00 0.00 C ATOM 128 SD MET A 15 -20.616 -1.543 9.530 1.00 0.00 S ATOM 129 CE MET A 15 -20.693 -0.182 10.721 1.00 0.00 C ATOM 0 H MET A 15 -23.435 1.554 6.737 1.00 0.00 H new ATOM 0 HA MET A 15 -22.331 -1.161 6.667 1.00 0.00 H new ATOM 0 HB2 MET A 15 -21.176 1.196 7.115 1.00 0.00 H new ATOM 0 HB3 MET A 15 -21.711 0.935 8.763 1.00 0.00 H new ATOM 0 HG2 MET A 15 -20.164 -1.181 7.187 1.00 0.00 H new ATOM 0 HG3 MET A 15 -19.365 0.020 8.182 1.00 0.00 H new ATOM 0 HE1 MET A 15 -20.375 -0.538 11.701 1.00 0.00 H new ATOM 0 HE2 MET A 15 -20.034 0.624 10.396 1.00 0.00 H new ATOM 0 HE3 MET A 15 -21.716 0.189 10.784 1.00 0.00 H new ATOM 130 N LYS A 16 -23.404 -2.231 8.670 1.00 0.00 N ATOM 131 CA LYS A 16 -24.144 -2.854 9.804 1.00 0.00 C ATOM 132 C LYS A 16 -23.304 -3.981 10.414 1.00 0.00 C ATOM 133 O LYS A 16 -22.568 -4.660 9.727 1.00 0.00 O ATOM 134 CB LYS A 16 -25.469 -3.425 9.293 1.00 0.00 C ATOM 135 CG LYS A 16 -26.336 -2.290 8.740 1.00 0.00 C ATOM 136 CD LYS A 16 -27.735 -2.825 8.426 1.00 0.00 C ATOM 137 CE LYS A 16 -28.593 -1.700 7.845 1.00 0.00 C ATOM 138 NZ LYS A 16 -27.860 -1.040 6.728 1.00 0.00 N ATOM 0 H LYS A 16 -22.891 -2.882 8.075 1.00 0.00 H new ATOM 0 HA LYS A 16 -24.340 -2.099 10.565 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -25.282 -4.166 8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -25.993 -3.936 10.101 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -26.399 -1.479 9.466 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -25.882 -1.877 7.839 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -27.670 -3.650 7.717 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -28.197 -3.219 9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -29.541 -2.100 7.485 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -28.829 -0.971 8.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -28.528 -0.487 6.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -27.131 -0.408 7.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -27.409 -1.764 6.133 1.00 0.00 H new ATOM 139 N ASN A 17 -23.415 -4.185 11.699 1.00 0.00 N ATOM 140 CA ASN A 17 -22.629 -5.269 12.358 1.00 0.00 C ATOM 141 C ASN A 17 -21.156 -5.152 11.960 1.00 0.00 C ATOM 142 O ASN A 17 -20.439 -6.132 11.910 1.00 0.00 O ATOM 143 CB ASN A 17 -23.169 -6.631 11.916 1.00 0.00 C ATOM 144 CG ASN A 17 -24.623 -6.776 12.371 1.00 0.00 C ATOM 145 OD1 ASN A 17 -25.069 -6.070 13.253 1.00 0.00 O ATOM 146 ND2 ASN A 17 -25.387 -7.668 11.801 1.00 0.00 N ATOM 0 H ASN A 17 -24.017 -3.647 12.322 1.00 0.00 H new ATOM 0 HA ASN A 17 -22.720 -5.174 13.440 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -23.105 -6.725 10.832 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -22.562 -7.430 12.342 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -26.358 -7.772 12.096 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -25.013 -8.261 11.060 1.00 0.00 H new ATOM 147 N GLY A 18 -20.698 -3.964 11.676 1.00 0.00 N ATOM 148 CA GLY A 18 -19.273 -3.792 11.280 1.00 0.00 C ATOM 149 C GLY A 18 -19.092 -4.269 9.839 1.00 0.00 C ATOM 150 O GLY A 18 -17.990 -4.475 9.373 1.00 0.00 O ATOM 0 H GLY A 18 -21.249 -3.106 11.701 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.982 -2.745 11.369 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -18.626 -4.360 11.948 1.00 0.00 H new ATOM 151 N LYS A 19 -20.174 -4.445 9.130 1.00 0.00 N ATOM 152 CA LYS A 19 -20.077 -4.907 7.719 1.00 0.00 C ATOM 153 C LYS A 19 -20.563 -3.791 6.793 1.00 0.00 C ATOM 154 O LYS A 19 -21.372 -2.967 7.170 1.00 0.00 O ATOM 155 CB LYS A 19 -20.955 -6.146 7.533 1.00 0.00 C ATOM 156 CG LYS A 19 -20.602 -6.831 6.211 1.00 0.00 C ATOM 157 CD LYS A 19 -21.885 -7.258 5.496 1.00 0.00 C ATOM 158 CE LYS A 19 -21.583 -8.441 4.575 1.00 0.00 C ATOM 159 NZ LYS A 19 -20.805 -9.467 5.324 1.00 0.00 N ATOM 0 H LYS A 19 -21.123 -4.288 9.470 1.00 0.00 H new ATOM 0 HA LYS A 19 -19.043 -5.156 7.480 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -20.807 -6.837 8.363 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.007 -5.862 7.538 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.030 -6.151 5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.971 -7.700 6.397 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -22.646 -7.536 6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -22.286 -6.426 4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -22.512 -8.873 4.204 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -21.018 -8.104 3.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -21.033 -10.413 4.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.788 -9.286 5.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -21.050 -9.420 6.334 1.00 0.00 H new ATOM 160 N LEU A 20 -20.075 -3.755 5.584 1.00 0.00 N ATOM 161 CA LEU A 20 -20.511 -2.689 4.640 1.00 0.00 C ATOM 162 C LEU A 20 -21.438 -3.291 3.583 1.00 0.00 C ATOM 163 O LEU A 20 -21.004 -3.996 2.692 1.00 0.00 O ATOM 164 CB LEU A 20 -19.282 -2.078 3.961 1.00 0.00 C ATOM 165 CG LEU A 20 -19.726 -1.131 2.844 1.00 0.00 C ATOM 166 CD1 LEU A 20 -20.189 0.192 3.454 1.00 0.00 C ATOM 167 CD2 LEU A 20 -18.549 -0.872 1.900 1.00 0.00 C ATOM 0 H LEU A 20 -19.395 -4.416 5.210 1.00 0.00 H new ATOM 0 HA LEU A 20 -21.046 -1.913 5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -18.682 -1.537 4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.651 -2.867 3.552 1.00 0.00 H new ATOM 0 HG LEU A 20 -20.547 -1.583 2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -20.506 0.868 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -21.025 0.009 4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -19.367 0.644 4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -18.863 -0.198 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.729 -0.419 2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -18.216 -1.815 1.467 1.00 0.00 H new ATOM 168 N PHE A 21 -22.710 -3.019 3.671 1.00 0.00 N ATOM 169 CA PHE A 21 -23.663 -3.575 2.669 1.00 0.00 C ATOM 170 C PHE A 21 -23.643 -2.702 1.414 1.00 0.00 C ATOM 171 O PHE A 21 -24.132 -1.590 1.410 1.00 0.00 O ATOM 172 CB PHE A 21 -25.071 -3.593 3.265 1.00 0.00 C ATOM 173 CG PHE A 21 -25.135 -4.623 4.368 1.00 0.00 C ATOM 174 CD1 PHE A 21 -24.476 -4.390 5.581 1.00 0.00 C ATOM 175 CD2 PHE A 21 -25.850 -5.811 4.175 1.00 0.00 C ATOM 176 CE1 PHE A 21 -24.534 -5.345 6.603 1.00 0.00 C ATOM 177 CE2 PHE A 21 -25.908 -6.766 5.197 1.00 0.00 C ATOM 178 CZ PHE A 21 -25.250 -6.533 6.410 1.00 0.00 C ATOM 0 H PHE A 21 -23.132 -2.435 4.394 1.00 0.00 H new ATOM 0 HA PHE A 21 -23.370 -4.592 2.406 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -25.325 -2.608 3.657 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -25.803 -3.826 2.491 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -23.923 -3.474 5.728 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -26.357 -5.991 3.238 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -24.027 -5.166 7.540 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -26.460 -7.682 5.049 1.00 0.00 H new ATOM 0 HZ PHE A 21 -25.294 -7.270 7.198 1.00 0.00 H new ATOM 179 N CYS A 22 -23.071 -3.195 0.349 1.00 0.00 N ATOM 180 CA CYS A 22 -23.009 -2.394 -0.904 1.00 0.00 C ATOM 181 C CYS A 22 -24.026 -2.927 -1.913 1.00 0.00 C ATOM 182 O CYS A 22 -23.771 -3.878 -2.624 1.00 0.00 O ATOM 183 CB CYS A 22 -21.601 -2.494 -1.496 1.00 0.00 C ATOM 184 SG CYS A 22 -20.391 -1.988 -0.249 1.00 0.00 S ATOM 0 H CYS A 22 -22.644 -4.120 0.294 1.00 0.00 H new ATOM 0 HA CYS A 22 -23.242 -1.353 -0.680 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -21.402 -3.516 -1.819 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -21.519 -1.859 -2.378 1.00 0.00 H new ATOM 185 N PRO A 23 -25.207 -2.293 -1.972 1.00 0.00 N ATOM 186 CA PRO A 23 -26.276 -2.691 -2.895 1.00 0.00 C ATOM 187 C PRO A 23 -25.927 -2.343 -4.345 1.00 0.00 C ATOM 188 O PRO A 23 -24.928 -1.707 -4.617 1.00 0.00 O ATOM 189 CB PRO A 23 -27.475 -1.862 -2.435 1.00 0.00 C ATOM 190 CG PRO A 23 -26.875 -0.671 -1.765 1.00 0.00 C ATOM 191 CD PRO A 23 -25.589 -1.136 -1.142 1.00 0.00 C ATOM 0 HA PRO A 23 -26.454 -3.766 -2.878 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -28.101 -1.569 -3.278 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -28.107 -2.426 -1.749 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -26.691 0.127 -2.484 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -27.550 -0.270 -1.009 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -24.827 -0.357 -1.164 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -25.727 -1.418 -0.098 1.00 0.00 H new ATOM 192 N GLN A 24 -26.743 -2.750 -5.279 1.00 0.00 N ATOM 193 CA GLN A 24 -26.453 -2.437 -6.707 1.00 0.00 C ATOM 194 C GLN A 24 -26.637 -0.936 -6.945 1.00 0.00 C ATOM 195 O GLN A 24 -27.722 -0.405 -6.809 1.00 0.00 O ATOM 196 CB GLN A 24 -27.412 -3.218 -7.607 1.00 0.00 C ATOM 197 CG GLN A 24 -27.069 -4.708 -7.547 1.00 0.00 C ATOM 198 CD GLN A 24 -27.958 -5.477 -8.526 1.00 0.00 C ATOM 199 OE1 GLN A 24 -28.933 -4.948 -9.023 1.00 0.00 O ATOM 200 NE2 GLN A 24 -27.663 -6.712 -8.827 1.00 0.00 N ATOM 0 H GLN A 24 -27.596 -3.285 -5.115 1.00 0.00 H new ATOM 0 HA GLN A 24 -25.427 -2.720 -6.941 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -28.441 -3.058 -7.286 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -27.339 -2.858 -8.633 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -26.019 -4.860 -7.796 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -27.214 -5.085 -6.535 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -26.845 -7.157 -8.411 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -28.250 -7.232 -9.479 1.00 0.00 H new ATOM 201 N ASP A 25 -25.586 -0.248 -7.296 1.00 0.00 N ATOM 202 CA ASP A 25 -25.700 1.217 -7.540 1.00 0.00 C ATOM 203 C ASP A 25 -26.087 1.463 -9.000 1.00 0.00 C ATOM 204 O ASP A 25 -25.406 1.039 -9.912 1.00 0.00 O ATOM 205 CB ASP A 25 -24.357 1.887 -7.247 1.00 0.00 C ATOM 206 CG ASP A 25 -24.510 3.406 -7.353 1.00 0.00 C ATOM 207 OD1 ASP A 25 -25.632 3.859 -7.513 1.00 0.00 O ATOM 208 OD2 ASP A 25 -23.504 4.090 -7.271 1.00 0.00 O ATOM 0 H ASP A 25 -24.652 -0.638 -7.424 1.00 0.00 H new ATOM 0 HA ASP A 25 -26.465 1.636 -6.887 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -24.013 1.614 -6.249 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -23.603 1.537 -7.951 1.00 0.00 H new ATOM 209 N LYS A 26 -27.176 2.147 -9.228 1.00 0.00 N ATOM 210 CA LYS A 26 -27.606 2.420 -10.628 1.00 0.00 C ATOM 211 C LYS A 26 -26.583 3.334 -11.305 1.00 0.00 C ATOM 212 O LYS A 26 -26.333 3.232 -12.490 1.00 0.00 O ATOM 213 CB LYS A 26 -28.972 3.108 -10.617 1.00 0.00 C ATOM 214 CG LYS A 26 -30.020 2.151 -10.047 1.00 0.00 C ATOM 215 CD LYS A 26 -31.403 2.798 -10.136 1.00 0.00 C ATOM 216 CE LYS A 26 -32.431 1.904 -9.441 1.00 0.00 C ATOM 217 NZ LYS A 26 -33.262 2.727 -8.518 1.00 0.00 N ATOM 0 H LYS A 26 -27.786 2.528 -8.505 1.00 0.00 H new ATOM 0 HA LYS A 26 -27.676 1.481 -11.176 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -28.929 4.017 -10.016 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -29.249 3.407 -11.628 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -30.010 1.212 -10.600 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -29.784 1.912 -9.010 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -31.386 3.782 -9.668 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -31.680 2.946 -11.180 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -33.065 1.417 -10.182 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -31.925 1.114 -8.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -33.961 2.119 -8.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -32.651 3.172 -7.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -33.755 3.465 -9.060 1.00 0.00 H new ATOM 218 N LYS A 27 -25.994 4.228 -10.562 1.00 0.00 N ATOM 219 CA LYS A 27 -24.990 5.151 -11.160 1.00 0.00 C ATOM 220 C LYS A 27 -23.676 4.402 -11.385 1.00 0.00 C ATOM 221 O LYS A 27 -23.313 3.524 -10.627 1.00 0.00 O ATOM 222 CB LYS A 27 -24.747 6.326 -10.210 1.00 0.00 C ATOM 223 CG LYS A 27 -25.876 7.346 -10.358 1.00 0.00 C ATOM 224 CD LYS A 27 -25.282 8.748 -10.493 1.00 0.00 C ATOM 225 CE LYS A 27 -25.708 9.357 -11.831 1.00 0.00 C ATOM 226 NZ LYS A 27 -24.585 9.252 -12.804 1.00 0.00 N ATOM 0 H LYS A 27 -26.165 4.360 -9.565 1.00 0.00 H new ATOM 0 HA LYS A 27 -25.365 5.523 -12.113 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -24.697 5.970 -9.181 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -23.788 6.795 -10.432 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -26.481 7.110 -11.233 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -26.537 7.301 -9.492 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -25.620 9.378 -9.671 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -24.195 8.701 -10.433 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -26.586 8.838 -12.216 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -25.989 10.401 -11.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -24.410 10.183 -13.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -23.727 8.931 -12.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -24.833 8.568 -13.548 1.00 0.00 H new ATOM 227 N PRO A 28 -22.946 4.764 -12.450 1.00 0.00 N ATOM 228 CA PRO A 28 -21.664 4.134 -12.783 1.00 0.00 C ATOM 229 C PRO A 28 -20.575 4.508 -11.775 1.00 0.00 C ATOM 230 O PRO A 28 -20.427 5.656 -11.406 1.00 0.00 O ATOM 231 CB PRO A 28 -21.326 4.710 -14.157 1.00 0.00 C ATOM 232 CG PRO A 28 -22.054 6.011 -14.208 1.00 0.00 C ATOM 233 CD PRO A 28 -23.315 5.817 -13.413 1.00 0.00 C ATOM 0 HA PRO A 28 -21.725 3.046 -12.769 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -20.252 4.852 -14.274 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -21.649 4.043 -14.957 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -21.448 6.813 -13.787 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -22.281 6.290 -15.237 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -23.619 6.735 -12.910 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -24.147 5.510 -14.046 1.00 0.00 H new ATOM 234 N ILE A 29 -19.812 3.551 -11.326 1.00 0.00 N ATOM 235 CA ILE A 29 -18.737 3.859 -10.342 1.00 0.00 C ATOM 236 C ILE A 29 -17.371 3.625 -10.986 1.00 0.00 C ATOM 237 O ILE A 29 -17.265 3.125 -12.088 1.00 0.00 O ATOM 238 CB ILE A 29 -18.869 2.963 -9.099 1.00 0.00 C ATOM 239 CG1 ILE A 29 -19.736 1.740 -9.418 1.00 0.00 C ATOM 240 CG2 ILE A 29 -19.502 3.759 -7.952 1.00 0.00 C ATOM 241 CD1 ILE A 29 -18.917 0.744 -10.243 1.00 0.00 C ATOM 0 H ILE A 29 -19.886 2.570 -11.597 1.00 0.00 H new ATOM 0 HA ILE A 29 -18.833 4.902 -10.039 1.00 0.00 H new ATOM 0 HB ILE A 29 -17.876 2.625 -8.801 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -20.078 1.271 -8.495 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -20.625 2.044 -9.970 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -19.594 3.121 -7.073 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -18.873 4.616 -7.713 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -20.490 4.107 -8.253 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -19.529 -0.128 -10.473 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -18.597 1.217 -11.171 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -18.041 0.433 -9.673 1.00 0.00 H new ATOM 242 N GLN A 30 -16.329 3.979 -10.294 1.00 0.00 N ATOM 243 CA GLN A 30 -14.955 3.785 -10.831 1.00 0.00 C ATOM 244 C GLN A 30 -13.990 3.729 -9.649 1.00 0.00 C ATOM 245 O GLN A 30 -13.836 4.690 -8.922 1.00 0.00 O ATOM 246 CB GLN A 30 -14.587 4.954 -11.748 1.00 0.00 C ATOM 247 CG GLN A 30 -15.324 4.807 -13.081 1.00 0.00 C ATOM 248 CD GLN A 30 -14.730 5.776 -14.105 1.00 0.00 C ATOM 249 OE1 GLN A 30 -13.927 6.622 -13.764 1.00 0.00 O ATOM 250 NE2 GLN A 30 -15.093 5.688 -15.354 1.00 0.00 N ATOM 0 H GLN A 30 -16.370 4.401 -9.366 1.00 0.00 H new ATOM 0 HA GLN A 30 -14.900 2.862 -11.408 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -14.853 5.899 -11.275 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -13.510 4.974 -11.916 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.240 3.782 -13.443 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -16.386 5.011 -12.945 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -15.767 4.978 -15.640 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -14.703 6.329 -16.045 1.00 0.00 H new ATOM 251 N SER A 31 -13.356 2.609 -9.436 1.00 0.00 N ATOM 252 CA SER A 31 -12.432 2.493 -8.274 1.00 0.00 C ATOM 253 C SER A 31 -11.087 3.144 -8.595 1.00 0.00 C ATOM 254 O SER A 31 -10.531 2.971 -9.662 1.00 0.00 O ATOM 255 CB SER A 31 -12.227 1.012 -7.936 1.00 0.00 C ATOM 256 OG SER A 31 -10.891 0.632 -8.230 1.00 0.00 O ATOM 0 H SER A 31 -13.437 1.773 -10.014 1.00 0.00 H new ATOM 0 HA SER A 31 -12.869 3.007 -7.418 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.441 0.837 -6.882 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.923 0.399 -8.508 1.00 0.00 H new ATOM 0 HG SER A 31 -10.292 0.977 -7.535 1.00 0.00 H new ATOM 257 N LEU A 32 -10.566 3.895 -7.661 1.00 0.00 N ATOM 258 CA LEU A 32 -9.258 4.573 -7.876 1.00 0.00 C ATOM 259 C LEU A 32 -8.130 3.577 -7.622 1.00 0.00 C ATOM 260 O LEU A 32 -7.011 3.765 -8.057 1.00 0.00 O ATOM 261 CB LEU A 32 -9.129 5.742 -6.895 1.00 0.00 C ATOM 262 CG LEU A 32 -10.189 6.800 -7.209 1.00 0.00 C ATOM 263 CD1 LEU A 32 -11.571 6.275 -6.816 1.00 0.00 C ATOM 264 CD2 LEU A 32 -9.890 8.071 -6.414 1.00 0.00 C ATOM 0 H LEU A 32 -10.995 4.068 -6.752 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.199 4.944 -8.899 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.249 5.385 -5.872 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.133 6.180 -6.965 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.173 7.021 -8.276 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.324 7.030 -7.040 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.789 5.367 -7.378 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.586 6.053 -5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.644 8.825 -6.637 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.906 7.845 -5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.906 8.450 -6.690 1.00 0.00 H new ATOM 265 N ASP A 33 -8.416 2.516 -6.918 1.00 0.00 N ATOM 266 CA ASP A 33 -7.361 1.506 -6.633 1.00 0.00 C ATOM 267 C ASP A 33 -6.993 0.778 -7.928 1.00 0.00 C ATOM 268 O ASP A 33 -6.064 -0.004 -7.970 1.00 0.00 O ATOM 269 CB ASP A 33 -7.887 0.494 -5.614 1.00 0.00 C ATOM 270 CG ASP A 33 -8.187 1.205 -4.293 1.00 0.00 C ATOM 271 OD1 ASP A 33 -7.671 2.293 -4.099 1.00 0.00 O ATOM 272 OD2 ASP A 33 -8.929 0.650 -3.499 1.00 0.00 O ATOM 0 H ASP A 33 -9.335 2.306 -6.528 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.479 2.004 -6.230 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.789 0.015 -5.994 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.151 -0.294 -5.456 1.00 0.00 H new ATOM 273 N GLY A 34 -7.722 1.024 -8.985 1.00 0.00 N ATOM 274 CA GLY A 34 -7.423 0.342 -10.275 1.00 0.00 C ATOM 275 C GLY A 34 -8.509 -0.699 -10.552 1.00 0.00 C ATOM 276 O GLY A 34 -8.320 -1.619 -11.323 1.00 0.00 O ATOM 0 H GLY A 34 -8.512 1.669 -9.009 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.384 1.070 -11.085 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.445 -0.137 -10.230 1.00 0.00 H new ATOM 277 N ILE A 35 -9.645 -0.561 -9.923 1.00 0.00 N ATOM 278 CA ILE A 35 -10.746 -1.541 -10.142 1.00 0.00 C ATOM 279 C ILE A 35 -11.938 -0.833 -10.786 1.00 0.00 C ATOM 280 O ILE A 35 -12.163 0.343 -10.577 1.00 0.00 O ATOM 281 CB ILE A 35 -11.183 -2.134 -8.799 1.00 0.00 C ATOM 282 CG1 ILE A 35 -9.956 -2.401 -7.922 1.00 0.00 C ATOM 283 CG2 ILE A 35 -11.931 -3.447 -9.038 1.00 0.00 C ATOM 284 CD1 ILE A 35 -10.165 -1.751 -6.553 1.00 0.00 C ATOM 0 H ILE A 35 -9.858 0.190 -9.266 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.392 -2.338 -10.796 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.839 -1.425 -8.293 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.802 -3.474 -7.809 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.061 -1.999 -8.396 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -12.241 -3.868 -8.082 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.810 -3.258 -9.654 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.275 -4.152 -9.549 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.294 -1.938 -5.925 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.299 -0.676 -6.677 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.051 -2.175 -6.081 1.00 0.00 H new ATOM 285 N MET A 36 -12.709 -1.540 -11.566 1.00 0.00 N ATOM 286 CA MET A 36 -13.891 -0.909 -12.218 1.00 0.00 C ATOM 287 C MET A 36 -15.155 -1.290 -11.446 1.00 0.00 C ATOM 288 O MET A 36 -16.175 -1.605 -12.025 1.00 0.00 O ATOM 289 CB MET A 36 -14.006 -1.410 -13.659 1.00 0.00 C ATOM 290 CG MET A 36 -12.797 -0.937 -14.468 1.00 0.00 C ATOM 291 SD MET A 36 -13.008 -1.420 -16.199 1.00 0.00 S ATOM 292 CE MET A 36 -11.332 -1.026 -16.754 1.00 0.00 C ATOM 0 H MET A 36 -12.571 -2.528 -11.780 1.00 0.00 H new ATOM 0 HA MET A 36 -13.773 0.175 -12.219 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.061 -2.499 -13.672 1.00 0.00 H new ATOM 0 HB3 MET A 36 -14.926 -1.039 -14.111 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.694 0.145 -14.391 1.00 0.00 H new ATOM 0 HG3 MET A 36 -11.883 -1.373 -14.066 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.238 -1.252 -17.816 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.134 0.033 -16.589 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.613 -1.621 -16.191 1.00 0.00 H new ATOM 293 N PHE A 37 -15.096 -1.271 -10.142 1.00 0.00 N ATOM 294 CA PHE A 37 -16.296 -1.640 -9.340 1.00 0.00 C ATOM 295 C PHE A 37 -16.731 -0.453 -8.479 1.00 0.00 C ATOM 296 O PHE A 37 -16.187 0.629 -8.571 1.00 0.00 O ATOM 297 CB PHE A 37 -15.961 -2.828 -8.438 1.00 0.00 C ATOM 298 CG PHE A 37 -16.346 -4.108 -9.138 1.00 0.00 C ATOM 299 CD1 PHE A 37 -17.697 -4.402 -9.364 1.00 0.00 C ATOM 300 CD2 PHE A 37 -15.355 -4.999 -9.567 1.00 0.00 C ATOM 301 CE1 PHE A 37 -18.056 -5.586 -10.017 1.00 0.00 C ATOM 302 CE2 PHE A 37 -15.715 -6.183 -10.221 1.00 0.00 C ATOM 303 CZ PHE A 37 -17.065 -6.477 -10.447 1.00 0.00 C ATOM 0 H PHE A 37 -14.271 -1.017 -9.599 1.00 0.00 H new ATOM 0 HA PHE A 37 -17.108 -1.911 -10.014 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.896 -2.833 -8.204 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -16.495 -2.743 -7.491 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -18.462 -3.714 -9.034 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -14.313 -4.773 -9.393 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -19.098 -5.813 -10.190 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -14.951 -6.871 -10.552 1.00 0.00 H new ATOM 0 HZ PHE A 37 -17.342 -7.390 -10.953 1.00 0.00 H new ATOM 304 N ILE A 38 -17.713 -0.651 -7.642 1.00 0.00 N ATOM 305 CA ILE A 38 -18.190 0.462 -6.774 1.00 0.00 C ATOM 306 C ILE A 38 -17.028 0.989 -5.934 1.00 0.00 C ATOM 307 O ILE A 38 -16.691 0.439 -4.903 1.00 0.00 O ATOM 308 CB ILE A 38 -19.300 -0.047 -5.852 1.00 0.00 C ATOM 309 CG1 ILE A 38 -20.492 -0.509 -6.694 1.00 0.00 C ATOM 310 CG2 ILE A 38 -19.743 1.082 -4.920 1.00 0.00 C ATOM 311 CD1 ILE A 38 -21.489 -1.253 -5.802 1.00 0.00 C ATOM 0 H ILE A 38 -18.205 -1.536 -7.522 1.00 0.00 H new ATOM 0 HA ILE A 38 -18.579 1.267 -7.398 1.00 0.00 H new ATOM 0 HB ILE A 38 -18.927 -0.883 -5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -20.975 0.349 -7.161 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -20.152 -1.160 -7.499 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -20.534 0.722 -4.262 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -18.895 1.413 -4.320 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -20.116 1.917 -5.512 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -22.338 -1.582 -6.401 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -21.002 -2.120 -5.356 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -21.838 -0.587 -5.013 1.00 0.00 H new ATOM 312 N ASN A 39 -16.417 2.054 -6.367 1.00 0.00 N ATOM 313 CA ASN A 39 -15.277 2.628 -5.600 1.00 0.00 C ATOM 314 C ASN A 39 -15.716 2.907 -4.167 1.00 0.00 C ATOM 315 O ASN A 39 -15.099 2.465 -3.220 1.00 0.00 O ATOM 316 CB ASN A 39 -14.841 3.938 -6.250 1.00 0.00 C ATOM 317 CG ASN A 39 -13.668 4.538 -5.468 1.00 0.00 C ATOM 318 OD1 ASN A 39 -13.728 5.674 -5.040 1.00 0.00 O ATOM 319 ND2 ASN A 39 -12.595 3.821 -5.264 1.00 0.00 N ATOM 0 H ASN A 39 -16.658 2.554 -7.222 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.448 1.920 -5.599 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.548 3.762 -7.285 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.674 4.640 -6.270 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.809 4.215 -4.746 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.543 2.867 -5.622 1.00 0.00 H new ATOM 320 N LYS A 40 -16.775 3.648 -4.002 1.00 0.00 N ATOM 321 CA LYS A 40 -17.250 3.968 -2.629 1.00 0.00 C ATOM 322 C LYS A 40 -17.201 2.713 -1.764 1.00 0.00 C ATOM 323 O LYS A 40 -16.651 2.713 -0.688 1.00 0.00 O ATOM 324 CB LYS A 40 -18.685 4.496 -2.690 1.00 0.00 C ATOM 325 CG LYS A 40 -18.750 5.695 -3.638 1.00 0.00 C ATOM 326 CD LYS A 40 -20.169 6.268 -3.639 1.00 0.00 C ATOM 327 CE LYS A 40 -20.217 7.507 -4.536 1.00 0.00 C ATOM 328 NZ LYS A 40 -19.833 7.128 -5.924 1.00 0.00 N ATOM 0 H LYS A 40 -17.332 4.046 -4.759 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.605 4.731 -2.194 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.358 3.711 -3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -19.019 4.788 -1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.038 6.459 -3.325 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.468 5.391 -4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -20.875 5.519 -3.997 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.468 6.529 -2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -21.219 7.936 -4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.540 8.272 -4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.149 7.866 -6.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -18.799 7.030 -5.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -20.282 6.224 -6.174 1.00 0.00 H new ATOM 329 N CYS A 41 -17.770 1.643 -2.226 1.00 0.00 N ATOM 330 CA CYS A 41 -17.752 0.387 -1.427 1.00 0.00 C ATOM 331 C CYS A 41 -16.308 -0.053 -1.190 1.00 0.00 C ATOM 332 O CYS A 41 -15.889 -0.290 -0.075 1.00 0.00 O ATOM 333 CB CYS A 41 -18.477 -0.708 -2.205 1.00 0.00 C ATOM 334 SG CYS A 41 -18.612 -2.191 -1.178 1.00 0.00 S ATOM 0 H CYS A 41 -18.249 1.580 -3.124 1.00 0.00 H new ATOM 0 HA CYS A 41 -18.244 0.561 -0.470 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -19.469 -0.364 -2.498 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -17.935 -0.936 -3.123 1.00 0.00 H new ATOM 335 N ALA A 42 -15.560 -0.186 -2.244 1.00 0.00 N ATOM 336 CA ALA A 42 -14.144 -0.640 -2.118 1.00 0.00 C ATOM 337 C ALA A 42 -13.298 0.373 -1.335 1.00 0.00 C ATOM 338 O ALA A 42 -12.354 0.003 -0.666 1.00 0.00 O ATOM 339 CB ALA A 42 -13.547 -0.808 -3.513 1.00 0.00 C ATOM 0 H ALA A 42 -15.868 0.001 -3.198 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.137 -1.586 -1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.512 -1.140 -3.428 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.122 -1.550 -4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.580 0.145 -4.040 1.00 0.00 H new ATOM 340 N THR A 43 -13.598 1.641 -1.418 1.00 0.00 N ATOM 341 CA THR A 43 -12.766 2.635 -0.680 1.00 0.00 C ATOM 342 C THR A 43 -13.436 3.009 0.646 1.00 0.00 C ATOM 343 O THR A 43 -12.791 3.100 1.670 1.00 0.00 O ATOM 344 CB THR A 43 -12.578 3.885 -1.543 1.00 0.00 C ATOM 345 OG1 THR A 43 -13.766 4.131 -2.282 1.00 0.00 O ATOM 346 CG2 THR A 43 -11.407 3.668 -2.509 1.00 0.00 C ATOM 0 H THR A 43 -14.372 2.028 -1.957 1.00 0.00 H new ATOM 0 HA THR A 43 -11.792 2.195 -0.464 1.00 0.00 H new ATOM 0 HB THR A 43 -12.365 4.741 -0.903 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.873 3.440 -2.969 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.273 4.558 -3.124 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.496 3.479 -1.940 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.618 2.812 -3.150 1.00 0.00 H new ATOM 347 N CYS A 44 -14.722 3.224 0.641 1.00 0.00 N ATOM 348 CA CYS A 44 -15.417 3.589 1.909 1.00 0.00 C ATOM 349 C CYS A 44 -15.102 2.545 2.980 1.00 0.00 C ATOM 350 O CYS A 44 -15.070 2.842 4.155 1.00 0.00 O ATOM 351 CB CYS A 44 -16.929 3.632 1.681 1.00 0.00 C ATOM 352 SG CYS A 44 -17.764 3.986 3.248 1.00 0.00 S ATOM 0 H CYS A 44 -15.321 3.163 -0.182 1.00 0.00 H new ATOM 0 HA CYS A 44 -15.072 4.570 2.235 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -17.175 4.397 0.944 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -17.274 2.679 1.279 1.00 0.00 H new ATOM 353 N LYS A 45 -14.872 1.322 2.587 1.00 0.00 N ATOM 354 CA LYS A 45 -14.560 0.271 3.595 1.00 0.00 C ATOM 355 C LYS A 45 -13.307 0.676 4.369 1.00 0.00 C ATOM 356 O LYS A 45 -13.214 0.485 5.566 1.00 0.00 O ATOM 357 CB LYS A 45 -14.324 -1.065 2.889 1.00 0.00 C ATOM 358 CG LYS A 45 -15.671 -1.735 2.607 1.00 0.00 C ATOM 359 CD LYS A 45 -15.438 -3.175 2.149 1.00 0.00 C ATOM 360 CE LYS A 45 -16.710 -3.713 1.489 1.00 0.00 C ATOM 361 NZ LYS A 45 -16.451 -5.077 0.949 1.00 0.00 N ATOM 0 H LYS A 45 -14.887 1.007 1.617 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.397 0.165 4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.782 -0.906 1.957 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.706 -1.713 3.510 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.290 -1.723 3.504 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.211 -1.181 1.839 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.606 -3.214 1.446 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.165 -3.799 3.000 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.523 -3.746 2.214 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.026 -3.047 0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.315 -5.443 0.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.688 -5.032 0.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.169 -5.710 1.725 1.00 0.00 H new ATOM 362 N MET A 46 -12.348 1.248 3.697 1.00 0.00 N ATOM 363 CA MET A 46 -11.107 1.682 4.393 1.00 0.00 C ATOM 364 C MET A 46 -11.358 3.050 5.025 1.00 0.00 C ATOM 365 O MET A 46 -10.808 3.381 6.057 1.00 0.00 O ATOM 366 CB MET A 46 -9.960 1.783 3.385 1.00 0.00 C ATOM 367 CG MET A 46 -9.629 0.389 2.849 1.00 0.00 C ATOM 368 SD MET A 46 -8.183 0.486 1.765 1.00 0.00 S ATOM 369 CE MET A 46 -6.955 0.813 3.054 1.00 0.00 C ATOM 0 H MET A 46 -12.371 1.434 2.694 1.00 0.00 H new ATOM 0 HA MET A 46 -10.838 0.959 5.163 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.240 2.443 2.564 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.082 2.220 3.860 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.431 -0.293 3.676 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.481 -0.013 2.301 1.00 0.00 H new ATOM 0 HE1 MET A 46 -6.015 0.326 2.793 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.795 1.888 3.140 1.00 0.00 H new ATOM 0 HE3 MET A 46 -7.314 0.423 4.006 1.00 0.00 H new ATOM 370 N ILE A 47 -12.197 3.841 4.416 1.00 0.00 N ATOM 371 CA ILE A 47 -12.502 5.183 4.978 1.00 0.00 C ATOM 372 C ILE A 47 -13.490 5.023 6.135 1.00 0.00 C ATOM 373 O ILE A 47 -13.578 5.858 7.011 1.00 0.00 O ATOM 374 CB ILE A 47 -13.122 6.062 3.889 1.00 0.00 C ATOM 375 CG1 ILE A 47 -12.256 5.999 2.629 1.00 0.00 C ATOM 376 CG2 ILE A 47 -13.202 7.509 4.380 1.00 0.00 C ATOM 377 CD1 ILE A 47 -12.968 6.721 1.483 1.00 0.00 C ATOM 0 H ILE A 47 -12.686 3.613 3.550 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.586 5.652 5.339 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.125 5.701 3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.287 6.461 2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.067 4.961 2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -13.644 8.133 3.603 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.819 7.555 5.277 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -12.200 7.871 4.610 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.351 6.676 0.586 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -13.926 6.239 1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -13.135 7.763 1.757 1.00 0.00 H new ATOM 378 N LEU A 48 -14.231 3.946 6.143 1.00 0.00 N ATOM 379 CA LEU A 48 -15.209 3.720 7.244 1.00 0.00 C ATOM 380 C LEU A 48 -14.448 3.485 8.549 1.00 0.00 C ATOM 381 O LEU A 48 -14.837 3.952 9.600 1.00 0.00 O ATOM 382 CB LEU A 48 -16.062 2.488 6.926 1.00 0.00 C ATOM 383 CG LEU A 48 -17.418 2.589 7.634 1.00 0.00 C ATOM 384 CD1 LEU A 48 -17.222 3.098 9.065 1.00 0.00 C ATOM 385 CD2 LEU A 48 -18.325 3.554 6.865 1.00 0.00 C ATOM 0 H LEU A 48 -14.200 3.214 5.434 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.855 4.592 7.345 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.210 2.407 5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.543 1.584 7.245 1.00 0.00 H new ATOM 0 HG LEU A 48 -17.880 1.602 7.667 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.190 3.167 9.562 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.581 2.407 9.613 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.755 4.083 9.040 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -19.289 3.626 7.368 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.860 4.539 6.829 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -18.472 3.184 5.850 1.00 0.00 H new ATOM 386 N GLU A 49 -13.361 2.763 8.486 1.00 0.00 N ATOM 387 CA GLU A 49 -12.572 2.496 9.721 1.00 0.00 C ATOM 388 C GLU A 49 -11.896 3.789 10.183 1.00 0.00 C ATOM 389 O GLU A 49 -11.695 4.009 11.360 1.00 0.00 O ATOM 390 CB GLU A 49 -11.504 1.440 9.426 1.00 0.00 C ATOM 391 CG GLU A 49 -12.176 0.159 8.932 1.00 0.00 C ATOM 392 CD GLU A 49 -11.104 -0.871 8.567 1.00 0.00 C ATOM 393 OE1 GLU A 49 -9.948 -0.491 8.492 1.00 0.00 O ATOM 394 OE2 GLU A 49 -11.459 -2.021 8.369 1.00 0.00 O ATOM 0 H GLU A 49 -12.987 2.347 7.633 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.236 2.132 10.505 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.808 1.812 8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.922 1.235 10.325 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.832 -0.241 9.705 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.800 0.374 8.064 1.00 0.00 H new ATOM 395 N LYS A 50 -11.544 4.646 9.263 1.00 0.00 N ATOM 396 CA LYS A 50 -10.882 5.923 9.650 1.00 0.00 C ATOM 397 C LYS A 50 -11.729 6.638 10.704 1.00 0.00 C ATOM 398 O LYS A 50 -11.213 7.263 11.609 1.00 0.00 O ATOM 399 CB LYS A 50 -10.741 6.819 8.417 1.00 0.00 C ATOM 400 CG LYS A 50 -9.778 6.170 7.422 1.00 0.00 C ATOM 401 CD LYS A 50 -9.494 7.144 6.277 1.00 0.00 C ATOM 402 CE LYS A 50 -8.660 6.441 5.203 1.00 0.00 C ATOM 403 NZ LYS A 50 -8.540 7.322 4.009 1.00 0.00 N ATOM 0 H LYS A 50 -11.686 4.517 8.261 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.895 5.710 10.060 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.715 6.970 7.951 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.371 7.802 8.709 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.848 5.900 7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.209 5.248 7.031 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.431 7.502 5.849 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.961 8.018 6.652 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.670 6.204 5.594 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.128 5.496 4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.973 6.843 3.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.487 7.527 3.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.075 8.212 4.280 1.00 0.00 H new ATOM 404 N GLU A 51 -13.027 6.550 10.594 1.00 0.00 N ATOM 405 CA GLU A 51 -13.906 7.224 11.590 1.00 0.00 C ATOM 406 C GLU A 51 -13.608 6.673 12.987 1.00 0.00 C ATOM 407 O GLU A 51 -13.729 7.368 13.976 1.00 0.00 O ATOM 408 CB GLU A 51 -15.372 6.957 11.240 1.00 0.00 C ATOM 409 CG GLU A 51 -16.274 7.759 12.179 1.00 0.00 C ATOM 410 CD GLU A 51 -17.737 7.396 11.916 1.00 0.00 C ATOM 411 OE1 GLU A 51 -17.973 6.552 11.066 1.00 0.00 O ATOM 412 OE2 GLU A 51 -18.595 7.967 12.567 1.00 0.00 O ATOM 0 H GLU A 51 -13.516 6.041 9.858 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.718 8.297 11.573 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.567 7.237 10.205 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.590 5.893 11.329 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -16.017 7.547 13.217 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.120 8.827 12.024 1.00 0.00 H new ATOM 413 N ALA A 52 -13.217 5.431 13.074 1.00 0.00 N ATOM 414 CA ALA A 52 -12.911 4.839 14.406 1.00 0.00 C ATOM 415 C ALA A 52 -11.667 5.512 14.990 1.00 0.00 C ATOM 416 O ALA A 52 -11.515 5.623 16.190 1.00 0.00 O ATOM 417 CB ALA A 52 -12.654 3.339 14.250 1.00 0.00 C ATOM 0 H ALA A 52 -13.096 4.801 12.281 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.756 4.995 15.076 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.430 2.905 15.224 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.540 2.859 13.834 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.809 3.182 13.580 1.00 0.00 H new ATOM 418 N LYS A 53 -10.778 5.963 14.149 1.00 0.00 N ATOM 419 CA LYS A 53 -9.545 6.630 14.655 1.00 0.00 C ATOM 420 C LYS A 53 -8.810 5.686 15.609 1.00 0.00 C ATOM 421 O LYS A 53 -8.450 6.056 16.709 1.00 0.00 O ATOM 422 CB LYS A 53 -9.927 7.910 15.399 1.00 0.00 C ATOM 423 CG LYS A 53 -10.627 8.871 14.435 1.00 0.00 C ATOM 424 CD LYS A 53 -10.928 10.186 15.156 1.00 0.00 C ATOM 425 CE LYS A 53 -11.709 11.113 14.221 1.00 0.00 C ATOM 426 NZ LYS A 53 -10.756 11.856 13.349 1.00 0.00 N ATOM 0 H LYS A 53 -10.852 5.899 13.134 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.895 6.878 13.816 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.584 7.674 16.236 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.037 8.381 15.816 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.995 9.056 13.566 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.551 8.425 14.067 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.505 9.993 16.060 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.999 10.664 15.467 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.401 10.533 13.610 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.308 11.813 14.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.286 12.486 12.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.113 12.421 13.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.203 11.180 12.784 1.00 0.00 H new ATOM 427 N SER A 54 -8.584 4.468 15.197 1.00 0.00 N ATOM 428 CA SER A 54 -7.872 3.503 16.082 1.00 0.00 C ATOM 429 C SER A 54 -6.469 4.030 16.385 1.00 0.00 C ATOM 430 O SER A 54 -5.902 3.755 17.423 1.00 0.00 O ATOM 431 CB SER A 54 -7.767 2.148 15.378 1.00 0.00 C ATOM 432 OG SER A 54 -9.063 1.711 14.998 1.00 0.00 O ATOM 0 H SER A 54 -8.861 4.100 14.287 1.00 0.00 H new ATOM 0 HA SER A 54 -8.426 3.387 17.014 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.127 2.231 14.499 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.305 1.417 16.041 1.00 0.00 H new ATOM 0 HG SER A 54 -8.996 0.844 14.546 1.00 0.00 H new ATOM 433 N GLN A 55 -5.902 4.786 15.484 1.00 0.00 N ATOM 434 CA GLN A 55 -4.536 5.331 15.720 1.00 0.00 C ATOM 435 C GLN A 55 -4.555 6.850 15.542 1.00 0.00 C ATOM 436 O GLN A 55 -5.141 7.306 14.575 1.00 0.00 O ATOM 437 CB GLN A 55 -3.560 4.712 14.717 1.00 0.00 C ATOM 438 CG GLN A 55 -2.138 5.183 15.032 1.00 0.00 C ATOM 439 CD GLN A 55 -1.159 4.550 14.041 1.00 0.00 C ATOM 440 OE1 GLN A 55 -1.533 3.693 13.266 1.00 0.00 O ATOM 441 NE2 GLN A 55 0.086 4.938 14.034 1.00 0.00 N ATOM 442 OXT GLN A 55 -3.982 7.532 16.377 1.00 0.00 O ATOM 0 H GLN A 55 -6.327 5.049 14.595 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.218 5.088 16.734 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.613 3.624 14.765 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.834 5.000 13.702 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.082 6.270 14.971 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.869 4.907 16.052 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.400 5.658 14.685 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.746 4.522 13.377 1.00 0.00 H new TER 443 GLN A 55