USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=13 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 Single : A 1 LYS N :NH3+ -164:sc= -0.0123 (180deg=-0.365) USER MOD Single : A 1 LYS NZ :NH3+ 162:sc= -0.528 (180deg=-1.32) USER MOD Single : A 2 ASN : amide:sc= -0.0052 K(o=-0.0052,f=-1.6!) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 7 MET CE :methyl -131:sc= -4.02! (180deg=-6.11!) USER MOD Single : A 9 HIS : no HD1:sc= -2.42! C(o=-2.4!,f=-5.3!) USER MOD Single : A 12 GLN : amide:sc= -3.13! C(o=-3.1!,f=-5!) USER MOD Single : A 15 MET CE :methyl -144:sc= -0.409 (180deg=-2.06!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.143 K(o=-0.14,f=-2.7!) USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.306) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc=-0.000239 K(o=-0.00024,f=-1.2) USER MOD Single : A 31 SER OG : rot -70:sc= 0.779 USER MOD Single : A 36 MET CE :methyl -118:sc= -0.116 (180deg=-0.626) USER MOD Single : A 39 ASN : amide:sc= -9.45! C(o=-9.4!,f=-15!) USER MOD Single : A 40 LYS NZ :NH3+ -118:sc= -2.09! (180deg=-4.31!) USER MOD Single : A 43 THR OG1 : rot -29:sc= -0.975! USER MOD Single : A 45 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.00432) USER MOD Single : A 46 MET CE :methyl -150:sc= -0.333 (180deg=-2.04!) USER MOD Single : A 50 LYS NZ :NH3+ 152:sc= -0.338 (180deg=-1.28) 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 -7.501 13.726 -3.317 1.00 0.00 N ATOM 2 CA LYS A 1 -7.223 12.674 -2.300 1.00 0.00 C ATOM 3 C LYS A 1 -8.300 12.718 -1.214 1.00 0.00 C ATOM 4 O LYS A 1 -9.107 11.819 -1.089 1.00 0.00 O ATOM 5 CB LYS A 1 -5.853 12.924 -1.669 1.00 0.00 C ATOM 6 CG LYS A 1 -4.766 12.776 -2.735 1.00 0.00 C ATOM 7 CD LYS A 1 -3.389 12.901 -2.081 1.00 0.00 C ATOM 8 CE LYS A 1 -2.307 12.883 -3.164 1.00 0.00 C ATOM 9 NZ LYS A 1 -2.800 13.607 -4.370 1.00 0.00 N ATOM 0 H1 LYS A 1 -6.950 13.532 -4.177 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.515 13.726 -3.548 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.233 14.656 -2.937 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.229 11.695 -2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -5.818 13.923 -1.235 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.680 12.217 -0.857 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.858 11.810 -3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -4.887 13.541 -3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -3.329 13.826 -1.508 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -3.231 12.081 -1.380 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -1.397 13.353 -2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -2.053 11.855 -3.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -1.994 13.863 -4.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.451 12.994 -4.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -3.300 14.470 -4.076 1.00 0.00 H new ATOM 10 N ASN A 2 -8.320 13.759 -0.428 1.00 0.00 N ATOM 11 CA ASN A 2 -9.346 13.861 0.648 1.00 0.00 C ATOM 12 C ASN A 2 -10.742 13.763 0.031 1.00 0.00 C ATOM 13 O ASN A 2 -11.656 13.219 0.619 1.00 0.00 O ATOM 14 CB ASN A 2 -9.199 15.203 1.368 1.00 0.00 C ATOM 15 CG ASN A 2 -7.844 15.257 2.073 1.00 0.00 C ATOM 16 OD1 ASN A 2 -7.218 14.239 2.295 1.00 0.00 O ATOM 17 ND2 ASN A 2 -7.359 16.412 2.439 1.00 0.00 N ATOM 0 H ASN A 2 -7.670 14.543 -0.484 1.00 0.00 H new ATOM 0 HA ASN A 2 -9.206 13.049 1.362 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -9.282 16.022 0.654 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -10.003 15.329 2.093 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.456 16.460 2.911 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.883 17.267 2.253 1.00 0.00 H new ATOM 18 N GLU A 3 -10.915 14.284 -1.153 1.00 0.00 N ATOM 19 CA GLU A 3 -12.252 14.219 -1.808 1.00 0.00 C ATOM 20 C GLU A 3 -12.683 12.758 -1.941 1.00 0.00 C ATOM 21 O GLU A 3 -13.847 12.430 -1.815 1.00 0.00 O ATOM 22 CB GLU A 3 -12.171 14.856 -3.197 1.00 0.00 C ATOM 23 CG GLU A 3 -13.575 14.940 -3.800 1.00 0.00 C ATOM 24 CD GLU A 3 -13.485 15.495 -5.224 1.00 0.00 C ATOM 25 OE1 GLU A 3 -12.381 15.763 -5.665 1.00 0.00 O ATOM 26 OE2 GLU A 3 -14.524 15.641 -5.848 1.00 0.00 O ATOM 0 H GLU A 3 -10.188 14.752 -1.695 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.980 14.759 -1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.733 15.852 -3.128 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.521 14.266 -3.843 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.037 13.953 -3.811 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.208 15.582 -3.187 1.00 0.00 H new ATOM 27 N ASP A 4 -11.756 11.876 -2.194 1.00 0.00 N ATOM 28 CA ASP A 4 -12.113 10.436 -2.335 1.00 0.00 C ATOM 29 C ASP A 4 -12.756 9.942 -1.038 1.00 0.00 C ATOM 30 O ASP A 4 -13.618 9.086 -1.047 1.00 0.00 O ATOM 31 CB ASP A 4 -10.850 9.622 -2.619 1.00 0.00 C ATOM 32 CG ASP A 4 -10.170 10.160 -3.879 1.00 0.00 C ATOM 33 OD1 ASP A 4 -10.796 10.939 -4.579 1.00 0.00 O ATOM 34 OD2 ASP A 4 -9.035 9.785 -4.123 1.00 0.00 O ATOM 0 H ASP A 4 -10.765 12.090 -2.309 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.816 10.315 -3.159 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.168 9.681 -1.771 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -11.104 8.570 -2.751 1.00 0.00 H new ATOM 35 N GLN A 5 -12.343 10.476 0.078 1.00 0.00 N ATOM 36 CA GLN A 5 -12.929 10.039 1.376 1.00 0.00 C ATOM 37 C GLN A 5 -14.414 10.404 1.410 1.00 0.00 C ATOM 38 O GLN A 5 -15.201 9.781 2.094 1.00 0.00 O ATOM 39 CB GLN A 5 -12.205 10.741 2.525 1.00 0.00 C ATOM 40 CG GLN A 5 -10.744 10.285 2.563 1.00 0.00 C ATOM 41 CD GLN A 5 -10.005 11.032 3.675 1.00 0.00 C ATOM 42 OE1 GLN A 5 -10.482 12.034 4.171 1.00 0.00 O ATOM 43 NE2 GLN A 5 -8.852 10.586 4.090 1.00 0.00 N ATOM 0 H GLN A 5 -11.624 11.197 0.147 1.00 0.00 H new ATOM 0 HA GLN A 5 -12.816 8.960 1.482 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -12.256 11.822 2.395 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -12.694 10.510 3.472 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.692 9.210 2.736 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.267 10.477 1.602 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.451 9.745 3.674 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.351 11.078 4.830 1.00 0.00 H new ATOM 44 N GLU A 6 -14.803 11.411 0.677 1.00 0.00 N ATOM 45 CA GLU A 6 -16.236 11.816 0.666 1.00 0.00 C ATOM 46 C GLU A 6 -17.083 10.682 0.085 1.00 0.00 C ATOM 47 O GLU A 6 -18.153 10.381 0.573 1.00 0.00 O ATOM 48 CB GLU A 6 -16.405 13.072 -0.189 1.00 0.00 C ATOM 49 CG GLU A 6 -15.690 14.246 0.483 1.00 0.00 C ATOM 50 CD GLU A 6 -15.954 15.527 -0.310 1.00 0.00 C ATOM 51 OE1 GLU A 6 -16.521 15.429 -1.386 1.00 0.00 O ATOM 52 OE2 GLU A 6 -15.584 16.586 0.172 1.00 0.00 O ATOM 0 H GLU A 6 -14.189 11.971 0.085 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.562 12.025 1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.995 12.905 -1.185 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.463 13.300 -0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.042 14.361 1.508 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.619 14.052 0.534 1.00 0.00 H new ATOM 53 N MET A 7 -16.611 10.049 -0.954 1.00 0.00 N ATOM 54 CA MET A 7 -17.390 8.934 -1.562 1.00 0.00 C ATOM 55 C MET A 7 -17.711 7.896 -0.486 1.00 0.00 C ATOM 56 O MET A 7 -18.739 7.248 -0.518 1.00 0.00 O ATOM 57 CB MET A 7 -16.565 8.273 -2.669 1.00 0.00 C ATOM 58 CG MET A 7 -16.214 9.308 -3.738 1.00 0.00 C ATOM 59 SD MET A 7 -17.715 10.175 -4.259 1.00 0.00 S ATOM 60 CE MET A 7 -18.544 8.756 -5.017 1.00 0.00 C ATOM 0 H MET A 7 -15.721 10.255 -1.407 1.00 0.00 H new ATOM 0 HA MET A 7 -18.315 9.327 -1.984 1.00 0.00 H new ATOM 0 HB2 MET A 7 -15.654 7.845 -2.251 1.00 0.00 H new ATOM 0 HB3 MET A 7 -17.127 7.452 -3.114 1.00 0.00 H new ATOM 0 HG2 MET A 7 -15.488 10.020 -3.345 1.00 0.00 H new ATOM 0 HG3 MET A 7 -15.749 8.819 -4.594 1.00 0.00 H new ATOM 0 HE1 MET A 7 -18.902 9.031 -6.009 1.00 0.00 H new ATOM 0 HE2 MET A 7 -17.842 7.927 -5.102 1.00 0.00 H new ATOM 0 HE3 MET A 7 -19.388 8.454 -4.397 1.00 0.00 H new ATOM 61 N CYS A 8 -16.835 7.730 0.464 1.00 0.00 N ATOM 62 CA CYS A 8 -17.080 6.732 1.541 1.00 0.00 C ATOM 63 C CYS A 8 -18.351 7.107 2.307 1.00 0.00 C ATOM 64 O CYS A 8 -19.099 6.253 2.741 1.00 0.00 O ATOM 65 CB CYS A 8 -15.887 6.714 2.498 1.00 0.00 C ATOM 66 SG CYS A 8 -16.175 5.505 3.814 1.00 0.00 S ATOM 0 H CYS A 8 -15.957 8.244 0.541 1.00 0.00 H new ATOM 0 HA CYS A 8 -17.205 5.743 1.100 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -14.976 6.463 1.954 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -15.739 7.705 2.928 1.00 0.00 H new ATOM 67 N HIS A 9 -18.603 8.375 2.473 1.00 0.00 N ATOM 68 CA HIS A 9 -19.827 8.801 3.208 1.00 0.00 C ATOM 69 C HIS A 9 -21.042 8.065 2.632 1.00 0.00 C ATOM 70 O HIS A 9 -21.825 7.480 3.353 1.00 0.00 O ATOM 71 CB HIS A 9 -20.010 10.316 3.049 1.00 0.00 C ATOM 72 CG HIS A 9 -21.417 10.705 3.415 1.00 0.00 C ATOM 73 ND1 HIS A 9 -22.506 10.342 2.640 1.00 0.00 N ATOM 74 CD2 HIS A 9 -21.928 11.423 4.468 1.00 0.00 C ATOM 75 CE1 HIS A 9 -23.609 10.837 3.232 1.00 0.00 C ATOM 76 NE2 HIS A 9 -23.313 11.506 4.349 1.00 0.00 N ATOM 0 H HIS A 9 -18.015 9.135 2.132 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.729 8.560 4.266 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.300 10.845 3.685 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.798 10.610 2.021 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.345 11.857 5.267 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.611 10.709 2.850 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.962 11.977 4.980 1.00 0.00 H new ATOM 77 N GLU A 10 -21.205 8.097 1.339 1.00 0.00 N ATOM 78 CA GLU A 10 -22.370 7.406 0.715 1.00 0.00 C ATOM 79 C GLU A 10 -22.406 5.941 1.157 1.00 0.00 C ATOM 80 O GLU A 10 -23.460 5.379 1.379 1.00 0.00 O ATOM 81 CB GLU A 10 -22.243 7.475 -0.808 1.00 0.00 C ATOM 82 CG GLU A 10 -22.437 8.920 -1.271 1.00 0.00 C ATOM 83 CD GLU A 10 -22.546 8.956 -2.798 1.00 0.00 C ATOM 84 OE1 GLU A 10 -22.353 7.919 -3.410 1.00 0.00 O ATOM 85 OE2 GLU A 10 -22.822 10.019 -3.326 1.00 0.00 O ATOM 0 H GLU A 10 -20.582 8.572 0.686 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.290 7.897 1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -21.264 7.111 -1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -22.986 6.829 -1.275 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -23.337 9.340 -0.821 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -21.600 9.535 -0.941 1.00 0.00 H new ATOM 86 N PHE A 11 -21.267 5.315 1.286 1.00 0.00 N ATOM 87 CA PHE A 11 -21.253 3.888 1.712 1.00 0.00 C ATOM 88 C PHE A 11 -21.455 3.804 3.227 1.00 0.00 C ATOM 89 O PHE A 11 -21.599 2.734 3.785 1.00 0.00 O ATOM 90 CB PHE A 11 -19.911 3.251 1.338 1.00 0.00 C ATOM 91 CG PHE A 11 -20.145 2.082 0.409 1.00 0.00 C ATOM 92 CD1 PHE A 11 -21.264 1.260 0.587 1.00 0.00 C ATOM 93 CD2 PHE A 11 -19.240 1.818 -0.628 1.00 0.00 C ATOM 94 CE1 PHE A 11 -21.482 0.176 -0.271 1.00 0.00 C ATOM 95 CE2 PHE A 11 -19.459 0.733 -1.485 1.00 0.00 C ATOM 96 CZ PHE A 11 -20.579 -0.087 -1.306 1.00 0.00 C ATOM 0 H PHE A 11 -20.350 5.729 1.115 1.00 0.00 H new ATOM 0 HA PHE A 11 -22.058 3.354 1.208 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -19.269 3.988 0.856 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -19.393 2.916 2.237 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -21.960 1.463 1.388 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -18.375 2.450 -0.766 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -22.347 -0.457 -0.134 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.763 0.528 -2.285 1.00 0.00 H new ATOM 0 HZ PHE A 11 -20.746 -0.924 -1.968 1.00 0.00 H new ATOM 97 N GLN A 12 -21.470 4.924 3.898 1.00 0.00 N ATOM 98 CA GLN A 12 -21.667 4.904 5.375 1.00 0.00 C ATOM 99 C GLN A 12 -23.120 4.541 5.685 1.00 0.00 C ATOM 100 O GLN A 12 -23.413 3.902 6.676 1.00 0.00 O ATOM 101 CB GLN A 12 -21.350 6.286 5.954 1.00 0.00 C ATOM 102 CG GLN A 12 -19.850 6.558 5.833 1.00 0.00 C ATOM 103 CD GLN A 12 -19.519 7.898 6.496 1.00 0.00 C ATOM 104 OE1 GLN A 12 -20.404 8.668 6.811 1.00 0.00 O ATOM 105 NE2 GLN A 12 -18.272 8.210 6.722 1.00 0.00 N ATOM 0 H GLN A 12 -21.354 5.851 3.487 1.00 0.00 H new ATOM 0 HA GLN A 12 -21.002 4.165 5.822 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -21.913 7.053 5.422 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -21.656 6.333 6.999 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -19.285 5.756 6.308 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -19.557 6.577 4.783 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -17.529 7.564 6.458 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.041 9.100 7.163 1.00 0.00 H new ATOM 106 N ALA A 13 -24.034 4.939 4.842 1.00 0.00 N ATOM 107 CA ALA A 13 -25.467 4.613 5.087 1.00 0.00 C ATOM 108 C ALA A 13 -25.667 3.101 4.966 1.00 0.00 C ATOM 109 O ALA A 13 -26.526 2.525 5.604 1.00 0.00 O ATOM 110 CB ALA A 13 -26.338 5.328 4.051 1.00 0.00 C ATOM 0 H ALA A 13 -23.850 5.476 3.994 1.00 0.00 H new ATOM 0 HA ALA A 13 -25.752 4.941 6.087 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -27.386 5.089 4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -26.192 6.405 4.134 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -26.057 4.999 3.050 1.00 0.00 H new ATOM 111 N PHE A 14 -24.879 2.453 4.152 1.00 0.00 N ATOM 112 CA PHE A 14 -25.021 0.978 3.991 1.00 0.00 C ATOM 113 C PHE A 14 -24.261 0.268 5.114 1.00 0.00 C ATOM 114 O PHE A 14 -24.318 -0.938 5.247 1.00 0.00 O ATOM 115 CB PHE A 14 -24.443 0.555 2.640 1.00 0.00 C ATOM 116 CG PHE A 14 -25.276 1.145 1.528 1.00 0.00 C ATOM 117 CD1 PHE A 14 -26.461 0.515 1.131 1.00 0.00 C ATOM 118 CD2 PHE A 14 -24.864 2.324 0.895 1.00 0.00 C ATOM 119 CE1 PHE A 14 -27.234 1.062 0.101 1.00 0.00 C ATOM 120 CE2 PHE A 14 -25.637 2.872 -0.135 1.00 0.00 C ATOM 121 CZ PHE A 14 -26.822 2.242 -0.533 1.00 0.00 C ATOM 0 H PHE A 14 -24.143 2.882 3.591 1.00 0.00 H new ATOM 0 HA PHE A 14 -26.076 0.707 4.036 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.410 0.892 2.553 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.431 -0.532 2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -26.779 -0.394 1.620 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -23.950 2.810 1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -28.148 0.575 -0.205 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -25.319 3.781 -0.623 1.00 0.00 H new ATOM 0 HZ PHE A 14 -27.418 2.665 -1.328 1.00 0.00 H new ATOM 122 N MET A 15 -23.548 1.004 5.921 1.00 0.00 N ATOM 123 CA MET A 15 -22.786 0.371 7.032 1.00 0.00 C ATOM 124 C MET A 15 -23.728 0.092 8.205 1.00 0.00 C ATOM 125 O MET A 15 -24.509 0.934 8.600 1.00 0.00 O ATOM 126 CB MET A 15 -21.672 1.314 7.487 1.00 0.00 C ATOM 127 CG MET A 15 -20.584 0.512 8.203 1.00 0.00 C ATOM 128 SD MET A 15 -21.209 -0.060 9.803 1.00 0.00 S ATOM 129 CE MET A 15 -21.440 1.573 10.549 1.00 0.00 C ATOM 0 H MET A 15 -23.461 2.018 5.858 1.00 0.00 H new ATOM 0 HA MET A 15 -22.351 -0.566 6.685 1.00 0.00 H new ATOM 0 HB2 MET A 15 -21.249 1.835 6.628 1.00 0.00 H new ATOM 0 HB3 MET A 15 -22.076 2.075 8.154 1.00 0.00 H new ATOM 0 HG2 MET A 15 -20.284 -0.340 7.592 1.00 0.00 H new ATOM 0 HG3 MET A 15 -19.697 1.129 8.347 1.00 0.00 H new ATOM 0 HE1 MET A 15 -21.198 1.526 11.611 1.00 0.00 H new ATOM 0 HE2 MET A 15 -20.784 2.293 10.059 1.00 0.00 H new ATOM 0 HE3 MET A 15 -22.477 1.885 10.427 1.00 0.00 H new ATOM 130 N LYS A 16 -23.661 -1.085 8.764 1.00 0.00 N ATOM 131 CA LYS A 16 -24.553 -1.417 9.910 1.00 0.00 C ATOM 132 C LYS A 16 -23.800 -2.309 10.900 1.00 0.00 C ATOM 133 O LYS A 16 -22.963 -3.103 10.522 1.00 0.00 O ATOM 134 CB LYS A 16 -25.788 -2.158 9.395 1.00 0.00 C ATOM 135 CG LYS A 16 -26.572 -1.245 8.450 1.00 0.00 C ATOM 136 CD LYS A 16 -27.916 -1.894 8.110 1.00 0.00 C ATOM 137 CE LYS A 16 -28.655 -1.027 7.089 1.00 0.00 C ATOM 138 NZ LYS A 16 -29.287 0.130 7.784 1.00 0.00 N ATOM 0 H LYS A 16 -23.027 -1.831 8.477 1.00 0.00 H new ATOM 0 HA LYS A 16 -24.861 -0.499 10.409 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -25.489 -3.068 8.874 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -26.418 -2.462 10.231 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -26.733 -0.273 8.917 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -26.000 -1.070 7.539 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -27.758 -2.894 7.707 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -28.517 -2.005 9.012 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -27.961 -0.672 6.327 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -29.415 -1.617 6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -29.789 0.720 7.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -29.961 -0.218 8.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -28.552 0.697 8.252 1.00 0.00 H new ATOM 139 N ASN A 17 -24.094 -2.186 12.166 1.00 0.00 N ATOM 140 CA ASN A 17 -23.398 -3.028 13.178 1.00 0.00 C ATOM 141 C ASN A 17 -21.887 -2.963 12.945 1.00 0.00 C ATOM 142 O ASN A 17 -21.165 -3.898 13.229 1.00 0.00 O ATOM 143 CB ASN A 17 -23.871 -4.478 13.046 1.00 0.00 C ATOM 144 CG ASN A 17 -23.689 -5.198 14.384 1.00 0.00 C ATOM 145 OD1 ASN A 17 -23.299 -4.594 15.363 1.00 0.00 O ATOM 146 ND2 ASN A 17 -23.959 -6.472 14.467 1.00 0.00 N ATOM 0 H ASN A 17 -24.786 -1.538 12.542 1.00 0.00 H new ATOM 0 HA ASN A 17 -23.628 -2.659 14.177 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -24.919 -4.504 12.746 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -23.304 -4.987 12.267 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -23.843 -6.961 15.354 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -24.286 -6.979 13.644 1.00 0.00 H new ATOM 147 N GLY A 18 -21.403 -1.866 12.430 1.00 0.00 N ATOM 148 CA GLY A 18 -19.939 -1.746 12.177 1.00 0.00 C ATOM 149 C GLY A 18 -19.571 -2.594 10.960 1.00 0.00 C ATOM 150 O GLY A 18 -18.429 -2.963 10.768 1.00 0.00 O ATOM 0 H GLY A 18 -21.957 -1.049 12.174 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.671 -0.704 12.004 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -19.378 -2.078 13.050 1.00 0.00 H new ATOM 151 N LYS A 19 -20.533 -2.905 10.138 1.00 0.00 N ATOM 152 CA LYS A 19 -20.252 -3.732 8.931 1.00 0.00 C ATOM 153 C LYS A 19 -20.685 -2.965 7.681 1.00 0.00 C ATOM 154 O LYS A 19 -21.776 -2.434 7.617 1.00 0.00 O ATOM 155 CB LYS A 19 -21.037 -5.042 9.021 1.00 0.00 C ATOM 156 CG LYS A 19 -20.507 -6.031 7.980 1.00 0.00 C ATOM 157 CD LYS A 19 -21.675 -6.583 7.160 1.00 0.00 C ATOM 158 CE LYS A 19 -21.318 -7.977 6.636 1.00 0.00 C ATOM 159 NZ LYS A 19 -20.017 -7.918 5.912 1.00 0.00 N ATOM 0 H LYS A 19 -21.506 -2.621 10.250 1.00 0.00 H new ATOM 0 HA LYS A 19 -19.185 -3.949 8.875 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -20.943 -5.466 10.021 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.097 -4.855 8.852 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.790 -5.536 7.325 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.978 -6.846 8.473 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -22.573 -6.633 7.775 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.896 -5.915 6.327 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -21.254 -8.683 7.464 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -22.101 -8.338 5.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -19.918 -8.758 5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.986 -7.061 5.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -19.238 -7.893 6.600 1.00 0.00 H new ATOM 160 N LEU A 20 -19.843 -2.900 6.686 1.00 0.00 N ATOM 161 CA LEU A 20 -20.219 -2.166 5.447 1.00 0.00 C ATOM 162 C LEU A 20 -20.965 -3.107 4.502 1.00 0.00 C ATOM 163 O LEU A 20 -20.414 -4.075 4.012 1.00 0.00 O ATOM 164 CB LEU A 20 -18.958 -1.645 4.748 1.00 0.00 C ATOM 165 CG LEU A 20 -19.313 -1.164 3.336 1.00 0.00 C ATOM 166 CD1 LEU A 20 -20.105 0.143 3.425 1.00 0.00 C ATOM 167 CD2 LEU A 20 -18.032 -0.931 2.534 1.00 0.00 C ATOM 0 H LEU A 20 -18.914 -3.322 6.678 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.861 -1.325 5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -18.523 -0.827 5.323 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.207 -2.433 4.696 1.00 0.00 H new ATOM 0 HG LEU A 20 -19.917 -1.922 2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -20.357 0.485 2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -21.021 -0.024 3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -19.502 0.901 3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -18.288 -0.589 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.424 -0.175 3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.470 -1.862 2.468 1.00 0.00 H new ATOM 168 N PHE A 21 -22.206 -2.823 4.227 1.00 0.00 N ATOM 169 CA PHE A 21 -22.975 -3.691 3.295 1.00 0.00 C ATOM 170 C PHE A 21 -22.696 -3.235 1.864 1.00 0.00 C ATOM 171 O PHE A 21 -22.868 -2.079 1.529 1.00 0.00 O ATOM 172 CB PHE A 21 -24.471 -3.568 3.594 1.00 0.00 C ATOM 173 CG PHE A 21 -24.800 -4.332 4.855 1.00 0.00 C ATOM 174 CD1 PHE A 21 -24.300 -3.896 6.087 1.00 0.00 C ATOM 175 CD2 PHE A 21 -25.605 -5.475 4.790 1.00 0.00 C ATOM 176 CE1 PHE A 21 -24.606 -4.603 7.256 1.00 0.00 C ATOM 177 CE2 PHE A 21 -25.911 -6.182 5.959 1.00 0.00 C ATOM 178 CZ PHE A 21 -25.411 -5.747 7.193 1.00 0.00 C ATOM 0 H PHE A 21 -22.721 -2.028 4.607 1.00 0.00 H new ATOM 0 HA PHE A 21 -22.675 -4.731 3.419 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -24.744 -2.519 3.711 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -25.052 -3.958 2.758 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -23.678 -3.014 6.136 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -25.990 -5.811 3.839 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -24.221 -4.266 8.207 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -26.533 -7.063 5.909 1.00 0.00 H new ATOM 0 HZ PHE A 21 -25.646 -6.293 8.095 1.00 0.00 H new ATOM 179 N CYS A 22 -22.253 -4.123 1.018 1.00 0.00 N ATOM 180 CA CYS A 22 -21.953 -3.726 -0.386 1.00 0.00 C ATOM 181 C CYS A 22 -23.061 -4.219 -1.322 1.00 0.00 C ATOM 182 O CYS A 22 -22.867 -5.135 -2.095 1.00 0.00 O ATOM 183 CB CYS A 22 -20.619 -4.346 -0.811 1.00 0.00 C ATOM 184 SG CYS A 22 -19.782 -3.239 -1.973 1.00 0.00 S ATOM 0 H CYS A 22 -22.086 -5.105 1.238 1.00 0.00 H new ATOM 0 HA CYS A 22 -21.895 -2.639 -0.445 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -19.990 -4.516 0.063 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -20.789 -5.317 -1.276 1.00 0.00 H new ATOM 185 N PRO A 23 -24.246 -3.588 -1.253 1.00 0.00 N ATOM 186 CA PRO A 23 -25.387 -3.955 -2.103 1.00 0.00 C ATOM 187 C PRO A 23 -25.158 -3.537 -3.558 1.00 0.00 C ATOM 188 O PRO A 23 -24.237 -2.807 -3.864 1.00 0.00 O ATOM 189 CB PRO A 23 -26.546 -3.153 -1.511 1.00 0.00 C ATOM 190 CG PRO A 23 -25.895 -1.987 -0.846 1.00 0.00 C ATOM 191 CD PRO A 23 -24.566 -2.474 -0.344 1.00 0.00 C ATOM 0 HA PRO A 23 -25.560 -5.031 -2.119 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -27.241 -2.830 -2.286 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -27.117 -3.748 -0.798 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -25.767 -1.162 -1.547 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -26.508 -1.616 -0.025 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -23.809 -1.691 -0.386 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -24.625 -2.805 0.693 1.00 0.00 H new ATOM 192 N GLN A 24 -25.988 -3.990 -4.457 1.00 0.00 N ATOM 193 CA GLN A 24 -25.811 -3.611 -5.887 1.00 0.00 C ATOM 194 C GLN A 24 -26.303 -2.176 -6.095 1.00 0.00 C ATOM 195 O GLN A 24 -27.454 -1.864 -5.862 1.00 0.00 O ATOM 196 CB GLN A 24 -26.618 -4.563 -6.773 1.00 0.00 C ATOM 197 CG GLN A 24 -25.974 -5.950 -6.743 1.00 0.00 C ATOM 198 CD GLN A 24 -26.739 -6.890 -7.677 1.00 0.00 C ATOM 199 OE1 GLN A 24 -27.827 -6.576 -8.117 1.00 0.00 O ATOM 200 NE2 GLN A 24 -26.212 -8.039 -8.000 1.00 0.00 N ATOM 0 H GLN A 24 -26.779 -4.604 -4.264 1.00 0.00 H new ATOM 0 HA GLN A 24 -24.756 -3.677 -6.154 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -27.648 -4.620 -6.421 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -26.651 -4.187 -7.795 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -24.930 -5.885 -7.051 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -25.982 -6.344 -5.727 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -25.299 -8.303 -7.631 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -26.713 -8.673 -8.622 1.00 0.00 H new ATOM 201 N ASP A 25 -25.438 -1.299 -6.526 1.00 0.00 N ATOM 202 CA ASP A 25 -25.855 0.115 -6.743 1.00 0.00 C ATOM 203 C ASP A 25 -26.544 0.246 -8.103 1.00 0.00 C ATOM 204 O ASP A 25 -25.978 -0.074 -9.129 1.00 0.00 O ATOM 205 CB ASP A 25 -24.624 1.022 -6.708 1.00 0.00 C ATOM 206 CG ASP A 25 -25.061 2.482 -6.836 1.00 0.00 C ATOM 207 OD1 ASP A 25 -26.256 2.727 -6.794 1.00 0.00 O ATOM 208 OD2 ASP A 25 -24.196 3.330 -6.974 1.00 0.00 O ATOM 0 H ASP A 25 -24.461 -1.501 -6.737 1.00 0.00 H new ATOM 0 HA ASP A 25 -26.548 0.410 -5.956 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -24.078 0.875 -5.776 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -23.945 0.762 -7.520 1.00 0.00 H new ATOM 209 N LYS A 26 -27.762 0.714 -8.119 1.00 0.00 N ATOM 210 CA LYS A 26 -28.485 0.869 -9.412 1.00 0.00 C ATOM 211 C LYS A 26 -27.737 1.870 -10.293 1.00 0.00 C ATOM 212 O LYS A 26 -27.705 1.748 -11.501 1.00 0.00 O ATOM 213 CB LYS A 26 -29.902 1.379 -9.146 1.00 0.00 C ATOM 214 CG LYS A 26 -30.681 1.428 -10.461 1.00 0.00 C ATOM 215 CD LYS A 26 -32.076 2.001 -10.207 1.00 0.00 C ATOM 216 CE LYS A 26 -32.910 1.897 -11.485 1.00 0.00 C ATOM 217 NZ LYS A 26 -32.941 3.222 -12.166 1.00 0.00 N ATOM 0 H LYS A 26 -28.288 0.996 -7.292 1.00 0.00 H new ATOM 0 HA LYS A 26 -28.537 -0.094 -9.919 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -30.408 0.725 -8.435 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -29.865 2.371 -8.696 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -30.150 2.043 -11.188 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -30.759 0.428 -10.887 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -32.562 1.457 -9.397 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -32.002 3.042 -9.892 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -32.485 1.144 -12.149 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -33.924 1.575 -11.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -33.508 3.152 -13.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -33.365 3.929 -11.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -31.972 3.511 -12.407 1.00 0.00 H new ATOM 218 N LYS A 27 -27.133 2.859 -9.696 1.00 0.00 N ATOM 219 CA LYS A 27 -26.383 3.867 -10.495 1.00 0.00 C ATOM 220 C LYS A 27 -24.882 3.603 -10.359 1.00 0.00 C ATOM 221 O LYS A 27 -24.327 3.673 -9.280 1.00 0.00 O ATOM 222 CB LYS A 27 -26.703 5.272 -9.978 1.00 0.00 C ATOM 223 CG LYS A 27 -26.793 5.246 -8.451 1.00 0.00 C ATOM 224 CD LYS A 27 -26.582 6.658 -7.904 1.00 0.00 C ATOM 225 CE LYS A 27 -26.367 6.592 -6.390 1.00 0.00 C ATOM 226 NZ LYS A 27 -25.855 7.905 -5.905 1.00 0.00 N ATOM 0 H LYS A 27 -27.126 3.013 -8.688 1.00 0.00 H new ATOM 0 HA LYS A 27 -26.675 3.793 -11.543 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -25.931 5.972 -10.295 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -27.644 5.622 -10.402 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -27.766 4.866 -8.140 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -26.041 4.570 -8.043 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -25.720 7.121 -8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -27.447 7.281 -8.132 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -27.303 6.347 -5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -25.658 5.800 -6.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -25.708 7.862 -4.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -24.952 8.121 -6.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -26.546 8.650 -6.125 1.00 0.00 H new ATOM 227 N PRO A 28 -24.216 3.290 -11.479 1.00 0.00 N ATOM 228 CA PRO A 28 -22.775 3.008 -11.491 1.00 0.00 C ATOM 229 C PRO A 28 -21.944 4.266 -11.216 1.00 0.00 C ATOM 230 O PRO A 28 -22.364 5.372 -11.491 1.00 0.00 O ATOM 231 CB PRO A 28 -22.520 2.510 -12.914 1.00 0.00 C ATOM 232 CG PRO A 28 -23.617 3.114 -13.726 1.00 0.00 C ATOM 233 CD PRO A 28 -24.815 3.186 -12.822 1.00 0.00 C ATOM 0 HA PRO A 28 -22.492 2.293 -10.718 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -21.541 2.824 -13.275 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -22.543 1.421 -12.963 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -23.337 4.106 -14.082 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -23.829 2.507 -14.606 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -25.442 4.048 -13.051 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -25.444 2.301 -12.915 1.00 0.00 H new ATOM 234 N ILE A 29 -20.765 4.101 -10.679 1.00 0.00 N ATOM 235 CA ILE A 29 -19.905 5.284 -10.389 1.00 0.00 C ATOM 236 C ILE A 29 -18.448 4.938 -10.721 1.00 0.00 C ATOM 237 O ILE A 29 -17.928 3.926 -10.292 1.00 0.00 O ATOM 238 CB ILE A 29 -20.062 5.683 -8.904 1.00 0.00 C ATOM 239 CG1 ILE A 29 -20.095 7.208 -8.792 1.00 0.00 C ATOM 240 CG2 ILE A 29 -18.901 5.141 -8.054 1.00 0.00 C ATOM 241 CD1 ILE A 29 -18.732 7.775 -9.189 1.00 0.00 C ATOM 0 H ILE A 29 -20.361 3.199 -10.429 1.00 0.00 H new ATOM 0 HA ILE A 29 -20.208 6.133 -11.002 1.00 0.00 H new ATOM 0 HB ILE A 29 -20.992 5.253 -8.531 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -20.873 7.615 -9.438 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -20.341 7.504 -7.772 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -19.041 5.439 -7.015 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -18.879 4.053 -8.120 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.959 5.546 -8.424 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -18.753 8.862 -9.110 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -17.965 7.378 -8.524 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -18.505 7.490 -10.216 1.00 0.00 H new ATOM 242 N GLN A 30 -17.790 5.762 -11.489 1.00 0.00 N ATOM 243 CA GLN A 30 -16.374 5.470 -11.850 1.00 0.00 C ATOM 244 C GLN A 30 -15.452 5.892 -10.705 1.00 0.00 C ATOM 245 O GLN A 30 -15.601 6.954 -10.132 1.00 0.00 O ATOM 246 CB GLN A 30 -16.000 6.241 -13.116 1.00 0.00 C ATOM 247 CG GLN A 30 -17.042 5.973 -14.203 1.00 0.00 C ATOM 248 CD GLN A 30 -16.668 6.746 -15.469 1.00 0.00 C ATOM 249 OE1 GLN A 30 -16.006 7.762 -15.401 1.00 0.00 O ATOM 250 NE2 GLN A 30 -17.069 6.306 -16.630 1.00 0.00 N ATOM 0 H GLN A 30 -18.171 6.623 -11.882 1.00 0.00 H new ATOM 0 HA GLN A 30 -16.261 4.401 -12.028 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -15.948 7.309 -12.902 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -15.012 5.937 -13.461 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -17.093 4.906 -14.418 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -18.030 6.276 -13.857 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -17.625 5.453 -16.688 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -16.826 6.815 -17.480 1.00 0.00 H new ATOM 251 N SER A 31 -14.501 5.066 -10.369 1.00 0.00 N ATOM 252 CA SER A 31 -13.565 5.415 -9.263 1.00 0.00 C ATOM 253 C SER A 31 -12.222 5.854 -9.851 1.00 0.00 C ATOM 254 O SER A 31 -12.059 5.939 -11.053 1.00 0.00 O ATOM 255 CB SER A 31 -13.354 4.187 -8.375 1.00 0.00 C ATOM 256 OG SER A 31 -12.326 3.377 -8.926 1.00 0.00 O ATOM 0 H SER A 31 -14.331 4.163 -10.813 1.00 0.00 H new ATOM 0 HA SER A 31 -13.985 6.228 -8.671 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.086 4.497 -7.365 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.280 3.617 -8.298 1.00 0.00 H new ATOM 0 HG SER A 31 -12.645 2.962 -9.755 1.00 0.00 H new ATOM 257 N LEU A 32 -11.259 6.128 -9.014 1.00 0.00 N ATOM 258 CA LEU A 32 -9.925 6.556 -9.527 1.00 0.00 C ATOM 259 C LEU A 32 -8.856 5.569 -9.053 1.00 0.00 C ATOM 260 O LEU A 32 -7.696 5.686 -9.392 1.00 0.00 O ATOM 261 CB LEU A 32 -9.589 7.960 -9.009 1.00 0.00 C ATOM 262 CG LEU A 32 -10.333 8.229 -7.698 1.00 0.00 C ATOM 263 CD1 LEU A 32 -9.777 7.322 -6.597 1.00 0.00 C ATOM 264 CD2 LEU A 32 -10.140 9.693 -7.296 1.00 0.00 C ATOM 0 H LEU A 32 -11.337 6.074 -7.998 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.951 6.574 -10.617 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.514 8.050 -8.851 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.866 8.707 -9.753 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.395 8.024 -7.835 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.307 7.515 -5.664 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.912 6.279 -6.882 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.715 7.526 -6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.669 9.887 -6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.078 9.896 -7.160 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.536 10.340 -8.079 1.00 0.00 H new ATOM 265 N ASP A 33 -9.238 4.595 -8.272 1.00 0.00 N ATOM 266 CA ASP A 33 -8.244 3.602 -7.780 1.00 0.00 C ATOM 267 C ASP A 33 -8.039 2.517 -8.840 1.00 0.00 C ATOM 268 O ASP A 33 -7.378 1.524 -8.607 1.00 0.00 O ATOM 269 CB ASP A 33 -8.761 2.963 -6.490 1.00 0.00 C ATOM 270 CG ASP A 33 -8.701 3.987 -5.355 1.00 0.00 C ATOM 271 OD1 ASP A 33 -8.371 5.129 -5.630 1.00 0.00 O ATOM 272 OD2 ASP A 33 -8.987 3.612 -4.230 1.00 0.00 O ATOM 0 H ASP A 33 -10.196 4.445 -7.954 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.295 4.102 -7.585 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.785 2.617 -6.628 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.160 2.089 -6.238 1.00 0.00 H new ATOM 273 N GLY A 34 -8.602 2.697 -10.004 1.00 0.00 N ATOM 274 CA GLY A 34 -8.441 1.676 -11.076 1.00 0.00 C ATOM 275 C GLY A 34 -9.563 0.642 -10.967 1.00 0.00 C ATOM 276 O GLY A 34 -9.559 -0.367 -11.644 1.00 0.00 O ATOM 0 H GLY A 34 -9.167 3.508 -10.258 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.466 2.154 -12.055 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.471 1.187 -10.985 1.00 0.00 H new ATOM 277 N ILE A 35 -10.526 0.882 -10.119 1.00 0.00 N ATOM 278 CA ILE A 35 -11.646 -0.089 -9.971 1.00 0.00 C ATOM 279 C ILE A 35 -12.919 0.504 -10.577 1.00 0.00 C ATOM 280 O ILE A 35 -13.008 1.690 -10.822 1.00 0.00 O ATOM 281 CB ILE A 35 -11.876 -0.384 -8.487 1.00 0.00 C ATOM 282 CG1 ILE A 35 -10.563 -0.836 -7.845 1.00 0.00 C ATOM 283 CG2 ILE A 35 -12.922 -1.492 -8.344 1.00 0.00 C ATOM 284 CD1 ILE A 35 -10.724 -0.863 -6.324 1.00 0.00 C ATOM 0 H ILE A 35 -10.585 1.708 -9.523 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.394 -1.014 -10.489 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.231 0.518 -7.989 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.289 -1.826 -8.210 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.756 -0.158 -8.124 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.087 -1.703 -7.287 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.858 -1.170 -8.800 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -12.567 -2.394 -8.843 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.789 -1.185 -5.865 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.979 0.135 -5.967 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.519 -1.558 -6.055 1.00 0.00 H new ATOM 285 N MET A 36 -13.906 -0.314 -10.823 1.00 0.00 N ATOM 286 CA MET A 36 -15.171 0.202 -11.416 1.00 0.00 C ATOM 287 C MET A 36 -16.239 0.319 -10.327 1.00 0.00 C ATOM 288 O MET A 36 -16.904 -0.640 -9.991 1.00 0.00 O ATOM 289 CB MET A 36 -15.653 -0.762 -12.502 1.00 0.00 C ATOM 290 CG MET A 36 -14.735 -0.655 -13.722 1.00 0.00 C ATOM 291 SD MET A 36 -15.430 -1.621 -15.086 1.00 0.00 S ATOM 292 CE MET A 36 -16.734 -0.455 -15.548 1.00 0.00 C ATOM 0 H MET A 36 -13.890 -1.317 -10.639 1.00 0.00 H new ATOM 0 HA MET A 36 -14.992 1.184 -11.853 1.00 0.00 H new ATOM 0 HB2 MET A 36 -15.654 -1.784 -12.122 1.00 0.00 H new ATOM 0 HB3 MET A 36 -16.679 -0.526 -12.784 1.00 0.00 H new ATOM 0 HG2 MET A 36 -14.627 0.388 -14.019 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.739 -1.021 -13.474 1.00 0.00 H new ATOM 0 HE1 MET A 36 -17.708 -0.926 -15.414 1.00 0.00 H new ATOM 0 HE2 MET A 36 -16.670 0.431 -14.917 1.00 0.00 H new ATOM 0 HE3 MET A 36 -16.611 -0.167 -16.592 1.00 0.00 H new ATOM 293 N PHE A 37 -16.408 1.493 -9.778 1.00 0.00 N ATOM 294 CA PHE A 37 -17.435 1.695 -8.712 1.00 0.00 C ATOM 295 C PHE A 37 -17.046 0.931 -7.446 1.00 0.00 C ATOM 296 O PHE A 37 -16.939 1.503 -6.379 1.00 0.00 O ATOM 297 CB PHE A 37 -18.802 1.213 -9.203 1.00 0.00 C ATOM 298 CG PHE A 37 -19.814 1.366 -8.093 1.00 0.00 C ATOM 299 CD1 PHE A 37 -20.521 2.565 -7.949 1.00 0.00 C ATOM 300 CD2 PHE A 37 -20.043 0.308 -7.205 1.00 0.00 C ATOM 301 CE1 PHE A 37 -21.456 2.708 -6.918 1.00 0.00 C ATOM 302 CE2 PHE A 37 -20.979 0.451 -6.174 1.00 0.00 C ATOM 303 CZ PHE A 37 -21.686 1.651 -6.031 1.00 0.00 C ATOM 0 H PHE A 37 -15.875 2.327 -10.024 1.00 0.00 H new ATOM 0 HA PHE A 37 -17.489 2.759 -8.481 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -19.112 1.789 -10.075 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -18.742 0.170 -9.515 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -20.345 3.381 -8.634 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -19.498 -0.618 -7.315 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -22.000 3.634 -6.807 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -21.156 -0.365 -5.489 1.00 0.00 H new ATOM 0 HZ PHE A 37 -22.409 1.761 -5.236 1.00 0.00 H new ATOM 304 N ILE A 38 -16.843 -0.352 -7.551 1.00 0.00 N ATOM 305 CA ILE A 38 -16.466 -1.158 -6.352 1.00 0.00 C ATOM 306 C ILE A 38 -15.477 -0.374 -5.486 1.00 0.00 C ATOM 307 O ILE A 38 -15.409 -0.556 -4.286 1.00 0.00 O ATOM 308 CB ILE A 38 -15.815 -2.467 -6.800 1.00 0.00 C ATOM 309 CG1 ILE A 38 -16.831 -3.307 -7.576 1.00 0.00 C ATOM 310 CG2 ILE A 38 -15.342 -3.247 -5.572 1.00 0.00 C ATOM 311 CD1 ILE A 38 -16.162 -4.595 -8.060 1.00 0.00 C ATOM 0 H ILE A 38 -16.922 -0.882 -8.419 1.00 0.00 H new ATOM 0 HA ILE A 38 -17.363 -1.373 -5.771 1.00 0.00 H new ATOM 0 HB ILE A 38 -14.963 -2.245 -7.442 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -17.684 -3.544 -6.941 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.214 -2.741 -8.426 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -14.878 -4.180 -5.890 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -14.616 -2.651 -5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -16.195 -3.467 -4.930 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -16.885 -5.195 -8.613 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -15.323 -4.347 -8.710 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -15.801 -5.162 -7.202 1.00 0.00 H new ATOM 312 N ASN A 39 -14.707 0.496 -6.081 1.00 0.00 N ATOM 313 CA ASN A 39 -13.726 1.283 -5.285 1.00 0.00 C ATOM 314 C ASN A 39 -14.415 1.862 -4.048 1.00 0.00 C ATOM 315 O ASN A 39 -13.985 1.649 -2.935 1.00 0.00 O ATOM 316 CB ASN A 39 -13.168 2.428 -6.133 1.00 0.00 C ATOM 317 CG ASN A 39 -11.936 3.014 -5.441 1.00 0.00 C ATOM 318 OD1 ASN A 39 -11.062 2.285 -5.014 1.00 0.00 O ATOM 319 ND2 ASN A 39 -11.828 4.307 -5.307 1.00 0.00 N ATOM 0 H ASN A 39 -14.715 0.695 -7.081 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.910 0.628 -4.978 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -12.904 2.065 -7.126 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -13.926 3.200 -6.267 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.011 4.705 -4.844 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.561 4.920 -5.665 1.00 0.00 H new ATOM 320 N LYS A 40 -15.479 2.596 -4.229 1.00 0.00 N ATOM 321 CA LYS A 40 -16.179 3.185 -3.056 1.00 0.00 C ATOM 322 C LYS A 40 -16.332 2.120 -1.971 1.00 0.00 C ATOM 323 O LYS A 40 -16.249 2.403 -0.791 1.00 0.00 O ATOM 324 CB LYS A 40 -17.559 3.686 -3.481 1.00 0.00 C ATOM 325 CG LYS A 40 -17.400 4.856 -4.453 1.00 0.00 C ATOM 326 CD LYS A 40 -18.769 5.484 -4.718 1.00 0.00 C ATOM 327 CE LYS A 40 -19.400 5.906 -3.390 1.00 0.00 C ATOM 328 NZ LYS A 40 -20.198 4.774 -2.838 1.00 0.00 N ATOM 0 H LYS A 40 -15.892 2.812 -5.136 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.597 4.021 -2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.120 2.880 -3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.129 4.001 -2.607 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.721 5.600 -4.037 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -16.959 4.510 -5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -18.664 6.348 -5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.415 4.771 -5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -18.624 6.197 -2.682 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.038 6.777 -3.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -21.197 5.055 -2.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.113 3.950 -3.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.842 4.527 -1.893 1.00 0.00 H new ATOM 329 N CYS A 41 -16.551 0.898 -2.360 1.00 0.00 N ATOM 330 CA CYS A 41 -16.706 -0.190 -1.355 1.00 0.00 C ATOM 331 C CYS A 41 -15.326 -0.616 -0.852 1.00 0.00 C ATOM 332 O CYS A 41 -15.132 -0.873 0.320 1.00 0.00 O ATOM 333 CB CYS A 41 -17.398 -1.388 -2.010 1.00 0.00 C ATOM 334 SG CYS A 41 -18.511 -2.174 -0.819 1.00 0.00 S ATOM 0 H CYS A 41 -16.630 0.603 -3.333 1.00 0.00 H new ATOM 0 HA CYS A 41 -17.306 0.168 -0.518 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -17.958 -1.062 -2.886 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.654 -2.106 -2.356 1.00 0.00 H new ATOM 335 N ALA A 42 -14.368 -0.700 -1.733 1.00 0.00 N ATOM 336 CA ALA A 42 -13.000 -1.120 -1.314 1.00 0.00 C ATOM 337 C ALA A 42 -12.253 0.064 -0.690 1.00 0.00 C ATOM 338 O ALA A 42 -11.269 -0.110 0.002 1.00 0.00 O ATOM 339 CB ALA A 42 -12.228 -1.618 -2.537 1.00 0.00 C ATOM 0 H ALA A 42 -14.473 -0.496 -2.727 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.082 -1.918 -0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.227 -1.926 -2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.752 -2.467 -2.977 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.154 -0.816 -3.272 1.00 0.00 H new ATOM 340 N THR A 43 -12.704 1.266 -0.927 1.00 0.00 N ATOM 341 CA THR A 43 -12.006 2.447 -0.344 1.00 0.00 C ATOM 342 C THR A 43 -12.777 2.949 0.876 1.00 0.00 C ATOM 343 O THR A 43 -12.199 3.345 1.869 1.00 0.00 O ATOM 344 CB THR A 43 -11.929 3.562 -1.390 1.00 0.00 C ATOM 345 OG1 THR A 43 -13.178 3.665 -2.062 1.00 0.00 O ATOM 346 CG2 THR A 43 -10.828 3.245 -2.403 1.00 0.00 C ATOM 0 H THR A 43 -13.522 1.481 -1.497 1.00 0.00 H new ATOM 0 HA THR A 43 -10.999 2.158 -0.043 1.00 0.00 H new ATOM 0 HB THR A 43 -11.701 4.506 -0.896 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.617 2.789 -2.072 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.777 4.041 -3.146 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.871 3.167 -1.888 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.051 2.300 -2.899 1.00 0.00 H new ATOM 347 N CYS A 44 -14.080 2.939 0.811 1.00 0.00 N ATOM 348 CA CYS A 44 -14.889 3.419 1.966 1.00 0.00 C ATOM 349 C CYS A 44 -14.702 2.471 3.152 1.00 0.00 C ATOM 350 O CYS A 44 -14.850 2.857 4.293 1.00 0.00 O ATOM 351 CB CYS A 44 -16.366 3.458 1.576 1.00 0.00 C ATOM 352 SG CYS A 44 -17.346 4.095 2.962 1.00 0.00 S ATOM 0 H CYS A 44 -14.620 2.619 0.007 1.00 0.00 H new ATOM 0 HA CYS A 44 -14.560 4.420 2.245 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -16.504 4.091 0.699 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -16.707 2.459 1.305 1.00 0.00 H new ATOM 353 N LYS A 45 -14.381 1.234 2.894 1.00 0.00 N ATOM 354 CA LYS A 45 -14.188 0.272 4.016 1.00 0.00 C ATOM 355 C LYS A 45 -12.984 0.705 4.853 1.00 0.00 C ATOM 356 O LYS A 45 -13.035 0.726 6.066 1.00 0.00 O ATOM 357 CB LYS A 45 -13.943 -1.129 3.454 1.00 0.00 C ATOM 358 CG LYS A 45 -14.014 -2.150 4.591 1.00 0.00 C ATOM 359 CD LYS A 45 -13.850 -3.561 4.024 1.00 0.00 C ATOM 360 CE LYS A 45 -13.943 -4.580 5.162 1.00 0.00 C ATOM 361 NZ LYS A 45 -15.375 -4.805 5.511 1.00 0.00 N ATOM 0 H LYS A 45 -14.244 0.848 1.960 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.081 0.258 4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.687 -1.363 2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.967 -1.174 2.970 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.233 -1.948 5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.968 -2.065 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.622 -3.758 3.281 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.889 -3.652 3.517 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.479 -5.519 4.862 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.397 -4.219 6.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.468 -4.914 6.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.941 -3.991 5.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.716 -5.667 5.040 1.00 0.00 H new ATOM 362 N MET A 46 -11.900 1.055 4.215 1.00 0.00 N ATOM 363 CA MET A 46 -10.696 1.490 4.977 1.00 0.00 C ATOM 364 C MET A 46 -10.890 2.935 5.443 1.00 0.00 C ATOM 365 O MET A 46 -10.343 3.354 6.443 1.00 0.00 O ATOM 366 CB MET A 46 -9.462 1.402 4.077 1.00 0.00 C ATOM 367 CG MET A 46 -9.237 -0.054 3.664 1.00 0.00 C ATOM 368 SD MET A 46 -7.717 -0.175 2.687 1.00 0.00 S ATOM 369 CE MET A 46 -8.207 0.956 1.363 1.00 0.00 C ATOM 0 H MET A 46 -11.797 1.058 3.200 1.00 0.00 H new ATOM 0 HA MET A 46 -10.556 0.843 5.843 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.598 2.025 3.193 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.586 1.782 4.604 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.165 -0.687 4.548 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.086 -0.414 3.082 1.00 0.00 H new ATOM 0 HE1 MET A 46 -7.722 0.659 0.433 1.00 0.00 H new ATOM 0 HE2 MET A 46 -9.289 0.920 1.236 1.00 0.00 H new ATOM 0 HE3 MET A 46 -7.905 1.971 1.621 1.00 0.00 H new ATOM 370 N ILE A 47 -11.666 3.700 4.724 1.00 0.00 N ATOM 371 CA ILE A 47 -11.898 5.116 5.124 1.00 0.00 C ATOM 372 C ILE A 47 -13.078 5.181 6.096 1.00 0.00 C ATOM 373 O ILE A 47 -13.224 6.122 6.850 1.00 0.00 O ATOM 374 CB ILE A 47 -12.209 5.953 3.881 1.00 0.00 C ATOM 375 CG1 ILE A 47 -11.065 5.817 2.875 1.00 0.00 C ATOM 376 CG2 ILE A 47 -12.363 7.422 4.278 1.00 0.00 C ATOM 377 CD1 ILE A 47 -11.472 6.457 1.547 1.00 0.00 C ATOM 0 H ILE A 47 -12.150 3.404 3.876 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.005 5.510 5.610 1.00 0.00 H new ATOM 0 HB ILE A 47 -13.136 5.599 3.430 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.167 6.299 3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.823 4.765 2.724 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.584 8.017 3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.178 7.522 4.995 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.437 7.776 4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.656 6.360 0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.358 5.956 1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.692 7.513 1.704 1.00 0.00 H new ATOM 378 N LEU A 48 -13.923 4.184 6.086 1.00 0.00 N ATOM 379 CA LEU A 48 -15.091 4.186 7.012 1.00 0.00 C ATOM 380 C LEU A 48 -14.649 3.657 8.377 1.00 0.00 C ATOM 381 O LEU A 48 -15.303 3.867 9.379 1.00 0.00 O ATOM 382 CB LEU A 48 -16.194 3.288 6.443 1.00 0.00 C ATOM 383 CG LEU A 48 -17.442 3.362 7.331 1.00 0.00 C ATOM 384 CD1 LEU A 48 -17.701 4.813 7.748 1.00 0.00 C ATOM 385 CD2 LEU A 48 -18.650 2.837 6.551 1.00 0.00 C ATOM 0 H LEU A 48 -13.854 3.369 5.476 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.474 5.201 7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.441 3.600 5.428 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.841 2.258 6.383 1.00 0.00 H new ATOM 0 HG LEU A 48 -17.284 2.755 8.222 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.589 4.857 8.378 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.842 5.191 8.303 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.856 5.425 6.859 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -19.539 2.888 7.179 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -18.800 3.446 5.660 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -18.472 1.802 6.258 1.00 0.00 H new ATOM 386 N GLU A 49 -13.536 2.977 8.422 1.00 0.00 N ATOM 387 CA GLU A 49 -13.043 2.439 9.721 1.00 0.00 C ATOM 388 C GLU A 49 -12.233 3.522 10.436 1.00 0.00 C ATOM 389 O GLU A 49 -12.155 3.556 11.648 1.00 0.00 O ATOM 390 CB GLU A 49 -12.154 1.221 9.464 1.00 0.00 C ATOM 391 CG GLU A 49 -13.020 0.044 9.014 1.00 0.00 C ATOM 392 CD GLU A 49 -12.136 -1.182 8.781 1.00 0.00 C ATOM 393 OE1 GLU A 49 -10.927 -1.041 8.862 1.00 0.00 O ATOM 394 OE2 GLU A 49 -12.682 -2.243 8.525 1.00 0.00 O ATOM 0 H GLU A 49 -12.947 2.771 7.615 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.889 2.143 10.342 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.412 1.454 8.700 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.607 0.959 10.370 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.773 -0.177 9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.553 0.300 8.098 1.00 0.00 H new ATOM 395 N LYS A 50 -11.631 4.410 9.691 1.00 0.00 N ATOM 396 CA LYS A 50 -10.830 5.494 10.324 1.00 0.00 C ATOM 397 C LYS A 50 -11.733 6.324 11.238 1.00 0.00 C ATOM 398 O LYS A 50 -11.329 6.759 12.297 1.00 0.00 O ATOM 399 CB LYS A 50 -10.241 6.393 9.234 1.00 0.00 C ATOM 400 CG LYS A 50 -9.231 5.596 8.405 1.00 0.00 C ATOM 401 CD LYS A 50 -8.690 6.475 7.276 1.00 0.00 C ATOM 402 CE LYS A 50 -7.834 5.626 6.333 1.00 0.00 C ATOM 403 NZ LYS A 50 -8.340 5.769 4.939 1.00 0.00 N ATOM 0 H LYS A 50 -11.660 4.430 8.672 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.022 5.057 10.911 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.036 6.772 8.592 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.755 7.258 9.685 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.412 5.255 9.039 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.706 4.706 7.992 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.515 6.928 6.726 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.096 7.290 7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.792 5.941 6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.867 4.580 6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.558 5.621 4.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.083 5.062 4.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.732 6.723 4.808 1.00 0.00 H new ATOM 404 N GLU A 51 -12.955 6.547 10.835 1.00 0.00 N ATOM 405 CA GLU A 51 -13.884 7.346 11.683 1.00 0.00 C ATOM 406 C GLU A 51 -14.054 6.656 13.037 1.00 0.00 C ATOM 407 O GLU A 51 -14.204 7.297 14.057 1.00 0.00 O ATOM 408 CB GLU A 51 -15.243 7.453 10.989 1.00 0.00 C ATOM 409 CG GLU A 51 -15.091 8.236 9.683 1.00 0.00 C ATOM 410 CD GLU A 51 -16.468 8.451 9.053 1.00 0.00 C ATOM 411 OE1 GLU A 51 -17.403 7.797 9.483 1.00 0.00 O ATOM 412 OE2 GLU A 51 -16.564 9.267 8.151 1.00 0.00 O ATOM 0 H GLU A 51 -13.349 6.211 9.956 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.474 8.345 11.832 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.638 6.458 10.785 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.959 7.952 11.643 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.614 9.197 9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.445 7.692 8.994 1.00 0.00 H new ATOM 413 N ALA A 52 -14.029 5.351 13.053 1.00 0.00 N ATOM 414 CA ALA A 52 -14.187 4.620 14.341 1.00 0.00 C ATOM 415 C ALA A 52 -12.954 4.860 15.214 1.00 0.00 C ATOM 416 O ALA A 52 -13.022 4.829 16.427 1.00 0.00 O ATOM 417 CB ALA A 52 -14.332 3.122 14.064 1.00 0.00 C ATOM 0 H ALA A 52 -13.906 4.761 12.230 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.076 4.980 14.858 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.448 2.587 15.007 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.209 2.951 13.440 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.443 2.760 13.548 1.00 0.00 H new ATOM 418 N LYS A 53 -11.825 5.101 14.604 1.00 0.00 N ATOM 419 CA LYS A 53 -10.587 5.346 15.396 1.00 0.00 C ATOM 420 C LYS A 53 -10.331 4.159 16.326 1.00 0.00 C ATOM 421 O LYS A 53 -10.049 4.324 17.497 1.00 0.00 O ATOM 422 CB LYS A 53 -10.757 6.619 16.227 1.00 0.00 C ATOM 423 CG LYS A 53 -10.987 7.809 15.293 1.00 0.00 C ATOM 424 CD LYS A 53 -11.062 9.097 16.117 1.00 0.00 C ATOM 425 CE LYS A 53 -11.404 10.271 15.196 1.00 0.00 C ATOM 426 NZ LYS A 53 -12.841 10.631 15.364 1.00 0.00 N ATOM 0 H LYS A 53 -11.707 5.139 13.592 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.741 5.464 14.719 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.599 6.511 16.910 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.871 6.788 16.838 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.178 7.876 14.566 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.910 7.670 14.730 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.818 9.000 16.896 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.110 9.278 16.617 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.773 11.128 15.432 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.204 10.004 14.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.074 11.429 14.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.435 9.813 15.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.018 10.903 16.352 1.00 0.00 H new ATOM 427 N SER A 54 -10.423 2.961 15.815 1.00 0.00 N ATOM 428 CA SER A 54 -10.182 1.766 16.672 1.00 0.00 C ATOM 429 C SER A 54 -8.751 1.807 17.211 1.00 0.00 C ATOM 430 O SER A 54 -8.467 1.312 18.283 1.00 0.00 O ATOM 431 CB SER A 54 -10.379 0.496 15.843 1.00 0.00 C ATOM 432 OG SER A 54 -11.673 0.506 15.259 1.00 0.00 O ATOM 0 H SER A 54 -10.654 2.759 14.842 1.00 0.00 H new ATOM 0 HA SER A 54 -10.885 1.768 17.505 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.618 0.436 15.065 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.260 -0.385 16.474 1.00 0.00 H new ATOM 0 HG SER A 54 -11.798 -0.307 14.727 1.00 0.00 H new ATOM 433 N GLN A 55 -7.849 2.395 16.475 1.00 0.00 N ATOM 434 CA GLN A 55 -6.436 2.468 16.944 1.00 0.00 C ATOM 435 C GLN A 55 -5.877 1.054 17.102 1.00 0.00 C ATOM 436 O GLN A 55 -6.660 0.152 17.353 1.00 0.00 O ATOM 437 CB GLN A 55 -6.384 3.191 18.292 1.00 0.00 C ATOM 438 CG GLN A 55 -4.926 3.384 18.712 1.00 0.00 C ATOM 439 CD GLN A 55 -4.874 4.149 20.036 1.00 0.00 C ATOM 440 OE1 GLN A 55 -5.883 4.629 20.513 1.00 0.00 O ATOM 441 NE2 GLN A 55 -3.733 4.285 20.654 1.00 0.00 N ATOM 442 OXT GLN A 55 -4.675 0.895 16.970 1.00 0.00 O ATOM 0 H GLN A 55 -8.029 2.828 15.569 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.838 3.015 16.214 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.883 4.157 18.218 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.918 2.614 19.047 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.436 2.416 18.819 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.384 3.932 17.941 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.885 3.882 20.254 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.689 4.794 21.537 1.00 0.00 H new TER 443 GLN A 55