USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 SER OG : rot 160:sc= 0.099 USER MOD Set 1.2: A 39 ASN : amide:sc= -6.21! C(o=-5.5!,f=-6.1!) USER MOD Set 1.3: A 43 THR OG1 : rot -64:sc= 0.566 USER MOD Single : A 1 LYS N :NH3+ 180:sc= -0.0401 (180deg=-0.0401) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc=-0.00454 K(o=-0.0045,f=-1.6!) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -2.34! C(o=-2.3!,f=-4.7!) USER MOD Single : A 12 GLN : amide:sc= -0.782 K(o=-0.78,f=-2.6!) USER MOD Single : A 15 MET CE :methyl -149:sc= -0.485 (180deg=-2.32!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.47) USER MOD Single : A 19 LYS NZ :NH3+ -122:sc= 0.793 (180deg=-0.00154) 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+ -165:sc= -0.0031 (180deg=-0.153) USER MOD Single : A 30 GLN : amide:sc= -4! C(o=-4!,f=-5!) USER MOD Single : A 36 MET CE :methyl -148:sc= -0.393 (180deg=-2.27!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 140:sc= -0.16 (180deg=-1.19) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -83:sc= 1.17 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -9.950 11.590 -5.706 1.00 0.00 N ATOM 2 CA LYS A 1 -9.265 10.950 -4.547 1.00 0.00 C ATOM 3 C LYS A 1 -9.889 11.455 -3.245 1.00 0.00 C ATOM 4 O LYS A 1 -10.602 10.741 -2.570 1.00 0.00 O ATOM 5 CB LYS A 1 -7.777 11.310 -4.574 1.00 0.00 C ATOM 6 CG LYS A 1 -7.054 10.575 -3.443 1.00 0.00 C ATOM 7 CD LYS A 1 -5.583 10.993 -3.424 1.00 0.00 C ATOM 8 CE LYS A 1 -4.823 10.139 -2.408 1.00 0.00 C ATOM 9 NZ LYS A 1 -3.375 10.484 -2.454 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.527 11.247 -6.592 1.00 0.00 H new ATOM 0 H2 LYS A 1 -10.961 11.347 -5.689 1.00 0.00 H new ATOM 0 H3 LYS A 1 -9.841 12.623 -5.647 1.00 0.00 H new ATOM 0 HA LYS A 1 -9.379 9.868 -4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.343 11.036 -5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -7.650 12.387 -4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.522 10.807 -2.486 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.135 9.497 -3.584 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.147 10.872 -4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -5.497 12.048 -3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.217 10.310 -1.406 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.963 9.081 -2.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -2.858 9.904 -1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.004 10.299 -3.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -3.250 11.490 -2.223 1.00 0.00 H new ATOM 10 N ASN A 2 -9.627 12.683 -2.887 1.00 0.00 N ATOM 11 CA ASN A 2 -10.206 13.230 -1.629 1.00 0.00 C ATOM 12 C ASN A 2 -11.733 13.187 -1.712 1.00 0.00 C ATOM 13 O ASN A 2 -12.417 13.093 -0.713 1.00 0.00 O ATOM 14 CB ASN A 2 -9.746 14.677 -1.442 1.00 0.00 C ATOM 15 CG ASN A 2 -8.227 14.710 -1.266 1.00 0.00 C ATOM 16 OD1 ASN A 2 -7.615 13.699 -0.977 1.00 0.00 O ATOM 17 ND2 ASN A 2 -7.586 15.835 -1.430 1.00 0.00 N ATOM 0 H ASN A 2 -9.038 13.330 -3.411 1.00 0.00 H new ATOM 0 HA ASN A 2 -9.870 12.631 -0.783 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -10.036 15.277 -2.305 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -10.233 15.115 -0.571 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.573 15.866 -1.316 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.098 16.683 -1.672 1.00 0.00 H new ATOM 18 N GLU A 3 -12.274 13.254 -2.899 1.00 0.00 N ATOM 19 CA GLU A 3 -13.755 13.215 -3.045 1.00 0.00 C ATOM 20 C GLU A 3 -14.270 11.834 -2.635 1.00 0.00 C ATOM 21 O GLU A 3 -15.375 11.691 -2.148 1.00 0.00 O ATOM 22 CB GLU A 3 -14.132 13.487 -4.503 1.00 0.00 C ATOM 23 CG GLU A 3 -13.723 14.913 -4.878 1.00 0.00 C ATOM 24 CD GLU A 3 -14.153 15.208 -6.315 1.00 0.00 C ATOM 25 OE1 GLU A 3 -14.576 14.281 -6.989 1.00 0.00 O ATOM 26 OE2 GLU A 3 -14.053 16.354 -6.720 1.00 0.00 O ATOM 0 H GLU A 3 -11.753 13.334 -3.772 1.00 0.00 H new ATOM 0 HA GLU A 3 -14.203 13.976 -2.406 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.636 12.771 -5.158 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.205 13.356 -4.643 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.185 15.626 -4.196 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.644 15.031 -4.779 1.00 0.00 H new ATOM 27 N ASP A 4 -13.477 10.815 -2.823 1.00 0.00 N ATOM 28 CA ASP A 4 -13.921 9.447 -2.441 1.00 0.00 C ATOM 29 C ASP A 4 -14.269 9.424 -0.951 1.00 0.00 C ATOM 30 O ASP A 4 -15.110 8.666 -0.511 1.00 0.00 O ATOM 31 CB ASP A 4 -12.796 8.447 -2.725 1.00 0.00 C ATOM 32 CG ASP A 4 -12.472 8.459 -4.220 1.00 0.00 C ATOM 33 OD1 ASP A 4 -13.146 9.169 -4.947 1.00 0.00 O ATOM 34 OD2 ASP A 4 -11.552 7.759 -4.612 1.00 0.00 O ATOM 0 H ASP A 4 -12.541 10.872 -3.225 1.00 0.00 H new ATOM 0 HA ASP A 4 -14.801 9.172 -3.022 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.909 8.707 -2.147 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -13.097 7.446 -2.415 1.00 0.00 H new ATOM 35 N GLN A 5 -13.630 10.254 -0.172 1.00 0.00 N ATOM 36 CA GLN A 5 -13.927 10.284 1.288 1.00 0.00 C ATOM 37 C GLN A 5 -15.380 10.712 1.503 1.00 0.00 C ATOM 38 O GLN A 5 -16.066 10.203 2.365 1.00 0.00 O ATOM 39 CB GLN A 5 -12.992 11.280 1.980 1.00 0.00 C ATOM 40 CG GLN A 5 -11.556 10.759 1.917 1.00 0.00 C ATOM 41 CD GLN A 5 -10.620 11.753 2.609 1.00 0.00 C ATOM 42 OE1 GLN A 5 -11.001 12.873 2.884 1.00 0.00 O ATOM 43 NE2 GLN A 5 -9.403 11.387 2.902 1.00 0.00 N ATOM 0 H GLN A 5 -12.916 10.912 -0.484 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.774 9.291 1.711 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -13.058 12.254 1.496 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -13.295 11.419 3.018 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.490 9.784 2.401 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.253 10.621 0.879 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.084 10.446 2.671 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.770 12.041 3.362 1.00 0.00 H new ATOM 44 N GLU A 6 -15.855 11.645 0.722 1.00 0.00 N ATOM 45 CA GLU A 6 -17.264 12.102 0.883 1.00 0.00 C ATOM 46 C GLU A 6 -18.211 10.919 0.663 1.00 0.00 C ATOM 47 O GLU A 6 -19.110 10.679 1.445 1.00 0.00 O ATOM 48 CB GLU A 6 -17.566 13.196 -0.143 1.00 0.00 C ATOM 49 CG GLU A 6 -16.717 14.432 0.163 1.00 0.00 C ATOM 50 CD GLU A 6 -17.014 14.917 1.584 1.00 0.00 C ATOM 51 OE1 GLU A 6 -18.050 14.546 2.111 1.00 0.00 O ATOM 52 OE2 GLU A 6 -16.200 15.651 2.121 1.00 0.00 O ATOM 0 H GLU A 6 -15.329 12.109 -0.019 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.405 12.499 1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.352 12.835 -1.149 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.625 13.453 -0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.658 14.193 0.063 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.934 15.222 -0.555 1.00 0.00 H new ATOM 53 N MET A 7 -18.015 10.177 -0.393 1.00 0.00 N ATOM 54 CA MET A 7 -18.903 9.010 -0.659 1.00 0.00 C ATOM 55 C MET A 7 -18.818 8.030 0.512 1.00 0.00 C ATOM 56 O MET A 7 -19.763 7.332 0.823 1.00 0.00 O ATOM 57 CB MET A 7 -18.451 8.305 -1.940 1.00 0.00 C ATOM 58 CG MET A 7 -18.780 9.182 -3.149 1.00 0.00 C ATOM 59 SD MET A 7 -17.942 8.529 -4.615 1.00 0.00 S ATOM 60 CE MET A 7 -18.331 9.900 -5.729 1.00 0.00 C ATOM 0 H MET A 7 -17.279 10.329 -1.082 1.00 0.00 H new ATOM 0 HA MET A 7 -19.930 9.355 -0.775 1.00 0.00 H new ATOM 0 HB2 MET A 7 -17.380 8.109 -1.901 1.00 0.00 H new ATOM 0 HB3 MET A 7 -18.949 7.340 -2.031 1.00 0.00 H new ATOM 0 HG2 MET A 7 -19.857 9.205 -3.313 1.00 0.00 H new ATOM 0 HG3 MET A 7 -18.464 10.209 -2.964 1.00 0.00 H new ATOM 0 HE1 MET A 7 -17.902 9.703 -6.712 1.00 0.00 H new ATOM 0 HE2 MET A 7 -19.413 10.000 -5.819 1.00 0.00 H new ATOM 0 HE3 MET A 7 -17.913 10.824 -5.329 1.00 0.00 H new ATOM 61 N CYS A 8 -17.690 7.971 1.163 1.00 0.00 N ATOM 62 CA CYS A 8 -17.537 7.037 2.312 1.00 0.00 C ATOM 63 C CYS A 8 -18.449 7.481 3.456 1.00 0.00 C ATOM 64 O CYS A 8 -19.125 6.680 4.068 1.00 0.00 O ATOM 65 CB CYS A 8 -16.082 7.050 2.781 1.00 0.00 C ATOM 66 SG CYS A 8 -15.008 6.675 1.375 1.00 0.00 S ATOM 0 H CYS A 8 -16.865 8.531 0.948 1.00 0.00 H new ATOM 0 HA CYS A 8 -17.812 6.028 2.004 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -15.830 8.025 3.198 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -15.935 6.316 3.573 1.00 0.00 H new ATOM 67 N HIS A 9 -18.473 8.754 3.746 1.00 0.00 N ATOM 68 CA HIS A 9 -19.343 9.253 4.846 1.00 0.00 C ATOM 69 C HIS A 9 -20.708 8.565 4.764 1.00 0.00 C ATOM 70 O HIS A 9 -21.170 7.964 5.714 1.00 0.00 O ATOM 71 CB HIS A 9 -19.520 10.768 4.704 1.00 0.00 C ATOM 72 CG HIS A 9 -20.641 11.232 5.593 1.00 0.00 C ATOM 73 ND1 HIS A 9 -21.965 10.928 5.327 1.00 0.00 N ATOM 74 CD2 HIS A 9 -20.650 11.975 6.749 1.00 0.00 C ATOM 75 CE1 HIS A 9 -22.711 11.478 6.301 1.00 0.00 C ATOM 76 NE2 HIS A 9 -21.960 12.130 7.194 1.00 0.00 N ATOM 0 H HIS A 9 -17.926 9.470 3.267 1.00 0.00 H new ATOM 0 HA HIS A 9 -18.883 9.031 5.809 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -18.595 11.279 4.972 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.736 11.023 3.667 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -19.775 12.377 7.238 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.787 11.402 6.355 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -22.278 12.633 8.023 1.00 0.00 H new ATOM 77 N GLU A 10 -21.357 8.645 3.635 1.00 0.00 N ATOM 78 CA GLU A 10 -22.689 7.991 3.494 1.00 0.00 C ATOM 79 C GLU A 10 -22.523 6.471 3.537 1.00 0.00 C ATOM 80 O GLU A 10 -23.391 5.757 3.998 1.00 0.00 O ATOM 81 CB GLU A 10 -23.322 8.395 2.162 1.00 0.00 C ATOM 82 CG GLU A 10 -24.735 7.815 2.076 1.00 0.00 C ATOM 83 CD GLU A 10 -25.263 7.962 0.647 1.00 0.00 C ATOM 84 OE1 GLU A 10 -24.518 8.439 -0.192 1.00 0.00 O ATOM 85 OE2 GLU A 10 -26.404 7.595 0.418 1.00 0.00 O ATOM 0 H GLU A 10 -21.023 9.134 2.805 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.333 8.309 4.314 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -23.357 9.481 2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -22.716 8.030 1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -24.726 6.764 2.365 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -25.394 8.332 2.773 1.00 0.00 H new ATOM 86 N PHE A 11 -21.413 5.966 3.064 1.00 0.00 N ATOM 87 CA PHE A 11 -21.207 4.490 3.087 1.00 0.00 C ATOM 88 C PHE A 11 -20.865 4.043 4.510 1.00 0.00 C ATOM 89 O PHE A 11 -20.649 2.876 4.768 1.00 0.00 O ATOM 90 CB PHE A 11 -20.074 4.103 2.125 1.00 0.00 C ATOM 91 CG PHE A 11 -20.668 3.502 0.868 1.00 0.00 C ATOM 92 CD1 PHE A 11 -21.967 3.851 0.471 1.00 0.00 C ATOM 93 CD2 PHE A 11 -19.930 2.587 0.101 1.00 0.00 C ATOM 94 CE1 PHE A 11 -22.524 3.292 -0.683 1.00 0.00 C ATOM 95 CE2 PHE A 11 -20.490 2.030 -1.051 1.00 0.00 C ATOM 96 CZ PHE A 11 -21.786 2.381 -1.444 1.00 0.00 C ATOM 0 H PHE A 11 -20.646 6.508 2.666 1.00 0.00 H new ATOM 0 HA PHE A 11 -22.123 3.993 2.766 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -19.478 4.981 1.876 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -19.404 3.388 2.603 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -22.539 4.554 1.059 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -18.929 2.314 0.402 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -23.524 3.564 -0.986 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -19.921 1.326 -1.640 1.00 0.00 H new ATOM 0 HZ PHE A 11 -22.216 1.948 -2.335 1.00 0.00 H new ATOM 97 N GLN A 12 -20.836 4.958 5.442 1.00 0.00 N ATOM 98 CA GLN A 12 -20.532 4.578 6.849 1.00 0.00 C ATOM 99 C GLN A 12 -21.811 4.041 7.495 1.00 0.00 C ATOM 100 O GLN A 12 -21.792 3.067 8.220 1.00 0.00 O ATOM 101 CB GLN A 12 -20.045 5.805 7.621 1.00 0.00 C ATOM 102 CG GLN A 12 -18.641 6.187 7.147 1.00 0.00 C ATOM 103 CD GLN A 12 -18.227 7.510 7.792 1.00 0.00 C ATOM 104 OE1 GLN A 12 -19.064 8.275 8.227 1.00 0.00 O ATOM 105 NE2 GLN A 12 -16.961 7.813 7.872 1.00 0.00 N ATOM 0 H GLN A 12 -21.010 5.951 5.288 1.00 0.00 H new ATOM 0 HA GLN A 12 -19.753 3.815 6.869 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -20.730 6.639 7.468 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -20.034 5.593 8.690 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -17.931 5.404 7.411 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -18.625 6.279 6.061 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.259 7.170 7.506 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -16.673 8.693 8.300 1.00 0.00 H new ATOM 106 N ALA A 13 -22.927 4.664 7.223 1.00 0.00 N ATOM 107 CA ALA A 13 -24.209 4.182 7.808 1.00 0.00 C ATOM 108 C ALA A 13 -24.530 2.810 7.219 1.00 0.00 C ATOM 109 O ALA A 13 -24.962 1.910 7.911 1.00 0.00 O ATOM 110 CB ALA A 13 -25.330 5.164 7.467 1.00 0.00 C ATOM 0 H ALA A 13 -23.005 5.484 6.622 1.00 0.00 H new ATOM 0 HA ALA A 13 -24.120 4.109 8.892 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -26.267 4.809 7.896 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -25.091 6.145 7.877 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -25.432 5.238 6.384 1.00 0.00 H new ATOM 111 N PHE A 14 -24.304 2.638 5.943 1.00 0.00 N ATOM 112 CA PHE A 14 -24.576 1.318 5.311 1.00 0.00 C ATOM 113 C PHE A 14 -23.696 0.265 5.986 1.00 0.00 C ATOM 114 O PHE A 14 -23.913 -0.923 5.852 1.00 0.00 O ATOM 115 CB PHE A 14 -24.236 1.382 3.819 1.00 0.00 C ATOM 116 CG PHE A 14 -25.309 2.144 3.080 1.00 0.00 C ATOM 117 CD1 PHE A 14 -26.500 1.503 2.721 1.00 0.00 C ATOM 118 CD2 PHE A 14 -25.111 3.490 2.749 1.00 0.00 C ATOM 119 CE1 PHE A 14 -27.494 2.208 2.031 1.00 0.00 C ATOM 120 CE2 PHE A 14 -26.105 4.195 2.059 1.00 0.00 C ATOM 121 CZ PHE A 14 -27.297 3.554 1.701 1.00 0.00 C ATOM 0 H PHE A 14 -23.943 3.355 5.314 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.629 1.060 5.427 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.270 1.867 3.678 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.149 0.374 3.413 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -26.653 0.465 2.976 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -24.192 3.985 3.026 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -28.413 1.713 1.753 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -25.952 5.233 1.803 1.00 0.00 H new ATOM 0 HZ PHE A 14 -28.064 4.098 1.170 1.00 0.00 H new ATOM 122 N MET A 15 -22.701 0.700 6.711 1.00 0.00 N ATOM 123 CA MET A 15 -21.797 -0.261 7.400 1.00 0.00 C ATOM 124 C MET A 15 -22.464 -0.757 8.685 1.00 0.00 C ATOM 125 O MET A 15 -23.036 0.010 9.434 1.00 0.00 O ATOM 126 CB MET A 15 -20.486 0.448 7.745 1.00 0.00 C ATOM 127 CG MET A 15 -19.361 -0.581 7.848 1.00 0.00 C ATOM 128 SD MET A 15 -19.614 -1.599 9.322 1.00 0.00 S ATOM 129 CE MET A 15 -19.476 -0.269 10.540 1.00 0.00 C ATOM 0 H MET A 15 -22.476 1.684 6.855 1.00 0.00 H new ATOM 0 HA MET A 15 -21.595 -1.111 6.748 1.00 0.00 H new ATOM 0 HB2 MET A 15 -20.248 1.187 6.980 1.00 0.00 H new ATOM 0 HB3 MET A 15 -20.588 0.986 8.687 1.00 0.00 H new ATOM 0 HG2 MET A 15 -19.344 -1.209 6.957 1.00 0.00 H new ATOM 0 HG3 MET A 15 -18.396 -0.077 7.901 1.00 0.00 H new ATOM 0 HE1 MET A 15 -19.059 -0.665 11.466 1.00 0.00 H new ATOM 0 HE2 MET A 15 -18.822 0.512 10.153 1.00 0.00 H new ATOM 0 HE3 MET A 15 -20.464 0.148 10.736 1.00 0.00 H new ATOM 130 N LYS A 16 -22.400 -2.034 8.944 1.00 0.00 N ATOM 131 CA LYS A 16 -23.035 -2.575 10.181 1.00 0.00 C ATOM 132 C LYS A 16 -22.166 -3.695 10.757 1.00 0.00 C ATOM 133 O LYS A 16 -21.702 -4.565 10.046 1.00 0.00 O ATOM 134 CB LYS A 16 -24.422 -3.127 9.838 1.00 0.00 C ATOM 135 CG LYS A 16 -25.190 -3.424 11.129 1.00 0.00 C ATOM 136 CD LYS A 16 -26.561 -4.009 10.780 1.00 0.00 C ATOM 137 CE LYS A 16 -27.345 -4.275 12.066 1.00 0.00 C ATOM 138 NZ LYS A 16 -28.347 -5.351 11.822 1.00 0.00 N ATOM 0 H LYS A 16 -21.937 -2.726 8.355 1.00 0.00 H new ATOM 0 HA LYS A 16 -23.131 -1.779 10.919 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -24.972 -2.406 9.233 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -24.326 -4.035 9.243 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -24.629 -4.126 11.746 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -25.309 -2.511 11.713 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -27.112 -3.317 10.142 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -26.441 -4.935 10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -26.665 -4.571 12.865 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -27.846 -3.364 12.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -28.881 -5.533 12.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -29.002 -5.052 11.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -27.858 -6.220 11.528 1.00 0.00 H new ATOM 139 N ASN A 17 -21.944 -3.682 12.044 1.00 0.00 N ATOM 140 CA ASN A 17 -21.108 -4.744 12.669 1.00 0.00 C ATOM 141 C ASN A 17 -19.735 -4.780 11.995 1.00 0.00 C ATOM 142 O ASN A 17 -19.133 -5.825 11.846 1.00 0.00 O ATOM 143 CB ASN A 17 -21.795 -6.101 12.497 1.00 0.00 C ATOM 144 CG ASN A 17 -23.172 -6.063 13.160 1.00 0.00 C ATOM 145 OD1 ASN A 17 -23.323 -5.546 14.249 1.00 0.00 O ATOM 146 ND2 ASN A 17 -24.192 -6.594 12.544 1.00 0.00 N ATOM 0 H ASN A 17 -22.307 -2.980 12.689 1.00 0.00 H new ATOM 0 HA ASN A 17 -20.985 -4.529 13.730 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -21.896 -6.338 11.438 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -21.186 -6.888 12.943 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -25.115 -6.575 12.977 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -24.066 -7.028 11.630 1.00 0.00 H new ATOM 147 N GLY A 18 -19.234 -3.647 11.587 1.00 0.00 N ATOM 148 CA GLY A 18 -17.902 -3.619 10.921 1.00 0.00 C ATOM 149 C GLY A 18 -18.041 -4.128 9.485 1.00 0.00 C ATOM 150 O GLY A 18 -17.067 -4.276 8.772 1.00 0.00 O ATOM 0 H GLY A 18 -19.689 -2.740 11.686 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -17.504 -2.604 10.922 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -17.195 -4.239 11.472 1.00 0.00 H new ATOM 151 N LYS A 19 -19.243 -4.397 9.054 1.00 0.00 N ATOM 152 CA LYS A 19 -19.445 -4.895 7.664 1.00 0.00 C ATOM 153 C LYS A 19 -19.980 -3.759 6.789 1.00 0.00 C ATOM 154 O LYS A 19 -20.787 -2.961 7.219 1.00 0.00 O ATOM 155 CB LYS A 19 -20.454 -6.045 7.682 1.00 0.00 C ATOM 156 CG LYS A 19 -20.523 -6.688 6.295 1.00 0.00 C ATOM 157 CD LYS A 19 -21.983 -6.966 5.934 1.00 0.00 C ATOM 158 CE LYS A 19 -22.380 -8.354 6.440 1.00 0.00 C ATOM 159 NZ LYS A 19 -23.798 -8.327 6.898 1.00 0.00 N ATOM 0 H LYS A 19 -20.095 -4.293 9.605 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.496 -5.248 7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -20.161 -6.788 8.424 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.437 -5.675 7.972 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.073 -6.028 5.554 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.951 -7.616 6.284 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -22.629 -6.208 6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -22.119 -6.909 4.854 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -22.256 -9.091 5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -21.727 -8.655 7.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -23.846 -8.617 7.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -24.177 -7.364 6.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -24.362 -8.982 6.320 1.00 0.00 H new ATOM 160 N LEU A 20 -19.537 -3.683 5.564 1.00 0.00 N ATOM 161 CA LEU A 20 -20.018 -2.600 4.658 1.00 0.00 C ATOM 162 C LEU A 20 -21.064 -3.175 3.698 1.00 0.00 C ATOM 163 O LEU A 20 -20.808 -4.119 2.979 1.00 0.00 O ATOM 164 CB LEU A 20 -18.825 -2.043 3.868 1.00 0.00 C ATOM 165 CG LEU A 20 -19.302 -1.255 2.639 1.00 0.00 C ATOM 166 CD1 LEU A 20 -19.740 0.147 3.051 1.00 0.00 C ATOM 167 CD2 LEU A 20 -18.152 -1.122 1.650 1.00 0.00 C ATOM 0 H LEU A 20 -18.861 -4.325 5.150 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.471 -1.797 5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -18.228 -1.396 4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.179 -2.862 3.552 1.00 0.00 H new ATOM 0 HG LEU A 20 -20.140 -1.786 2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -20.076 0.696 2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -20.557 0.077 3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -18.900 0.671 3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -18.487 -0.563 0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.324 -0.594 2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.821 -2.114 1.342 1.00 0.00 H new ATOM 168 N PHE A 21 -22.239 -2.609 3.683 1.00 0.00 N ATOM 169 CA PHE A 21 -23.300 -3.120 2.770 1.00 0.00 C ATOM 170 C PHE A 21 -23.188 -2.416 1.415 1.00 0.00 C ATOM 171 O PHE A 21 -23.342 -1.215 1.313 1.00 0.00 O ATOM 172 CB PHE A 21 -24.675 -2.837 3.381 1.00 0.00 C ATOM 173 CG PHE A 21 -24.889 -3.734 4.579 1.00 0.00 C ATOM 174 CD1 PHE A 21 -24.008 -3.674 5.666 1.00 0.00 C ATOM 175 CD2 PHE A 21 -25.971 -4.622 4.603 1.00 0.00 C ATOM 176 CE1 PHE A 21 -24.208 -4.503 6.776 1.00 0.00 C ATOM 177 CE2 PHE A 21 -26.170 -5.451 5.714 1.00 0.00 C ATOM 178 CZ PHE A 21 -25.290 -5.391 6.801 1.00 0.00 C ATOM 0 H PHE A 21 -22.510 -1.815 4.263 1.00 0.00 H new ATOM 0 HA PHE A 21 -23.177 -4.194 2.632 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -24.744 -1.791 3.680 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -25.456 -3.009 2.640 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -23.174 -2.988 5.648 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -26.652 -4.668 3.766 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -23.527 -4.458 7.613 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -27.004 -6.138 5.732 1.00 0.00 H new ATOM 0 HZ PHE A 21 -25.446 -6.029 7.658 1.00 0.00 H new ATOM 179 N CYS A 22 -22.917 -3.156 0.372 1.00 0.00 N ATOM 180 CA CYS A 22 -22.792 -2.529 -0.975 1.00 0.00 C ATOM 181 C CYS A 22 -24.033 -2.853 -1.809 1.00 0.00 C ATOM 182 O CYS A 22 -24.028 -3.758 -2.620 1.00 0.00 O ATOM 183 CB CYS A 22 -21.551 -3.080 -1.681 1.00 0.00 C ATOM 184 SG CYS A 22 -20.107 -2.879 -0.609 1.00 0.00 S ATOM 0 H CYS A 22 -22.777 -4.166 0.395 1.00 0.00 H new ATOM 0 HA CYS A 22 -22.700 -1.449 -0.863 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -21.694 -4.133 -1.922 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -21.393 -2.556 -2.624 1.00 0.00 H new ATOM 185 N PRO A 23 -25.117 -2.092 -1.602 1.00 0.00 N ATOM 186 CA PRO A 23 -26.375 -2.287 -2.334 1.00 0.00 C ATOM 187 C PRO A 23 -26.253 -1.861 -3.800 1.00 0.00 C ATOM 188 O PRO A 23 -25.360 -1.124 -4.169 1.00 0.00 O ATOM 189 CB PRO A 23 -27.358 -1.370 -1.607 1.00 0.00 C ATOM 190 CG PRO A 23 -26.502 -0.317 -0.987 1.00 0.00 C ATOM 191 CD PRO A 23 -25.199 -0.981 -0.638 1.00 0.00 C ATOM 0 HA PRO A 23 -26.679 -3.334 -2.352 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -28.081 -0.937 -2.298 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -27.925 -1.915 -0.852 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -26.343 0.511 -1.678 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -26.978 0.097 -0.098 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -24.358 -0.296 -0.741 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -25.193 -1.340 0.391 1.00 0.00 H new ATOM 192 N GLN A 24 -27.142 -2.317 -4.638 1.00 0.00 N ATOM 193 CA GLN A 24 -27.075 -1.936 -6.077 1.00 0.00 C ATOM 194 C GLN A 24 -27.247 -0.421 -6.210 1.00 0.00 C ATOM 195 O GLN A 24 -28.324 0.109 -6.027 1.00 0.00 O ATOM 196 CB GLN A 24 -28.194 -2.644 -6.842 1.00 0.00 C ATOM 197 CG GLN A 24 -27.879 -4.139 -6.940 1.00 0.00 C ATOM 198 CD GLN A 24 -28.941 -4.829 -7.798 1.00 0.00 C ATOM 199 OE1 GLN A 24 -29.965 -4.248 -8.100 1.00 0.00 O ATOM 200 NE2 GLN A 24 -28.741 -6.052 -8.205 1.00 0.00 N ATOM 0 H GLN A 24 -27.912 -2.937 -4.389 1.00 0.00 H new ATOM 0 HA GLN A 24 -26.109 -2.231 -6.488 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -29.147 -2.495 -6.334 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -28.294 -2.216 -7.840 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -26.891 -4.285 -7.377 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -27.856 -4.583 -5.945 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -27.882 -6.540 -7.952 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -29.444 -6.521 -8.777 1.00 0.00 H new ATOM 201 N ASP A 25 -26.191 0.280 -6.524 1.00 0.00 N ATOM 202 CA ASP A 25 -26.295 1.760 -6.664 1.00 0.00 C ATOM 203 C ASP A 25 -26.611 2.117 -8.119 1.00 0.00 C ATOM 204 O ASP A 25 -25.863 1.799 -9.023 1.00 0.00 O ATOM 205 CB ASP A 25 -24.966 2.404 -6.260 1.00 0.00 C ATOM 206 CG ASP A 25 -25.099 3.926 -6.316 1.00 0.00 C ATOM 207 OD1 ASP A 25 -26.203 4.397 -6.538 1.00 0.00 O ATOM 208 OD2 ASP A 25 -24.095 4.595 -6.137 1.00 0.00 O ATOM 0 H ASP A 25 -25.262 -0.108 -6.689 1.00 0.00 H new ATOM 0 HA ASP A 25 -27.092 2.130 -6.019 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -24.688 2.089 -5.254 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -24.171 2.073 -6.928 1.00 0.00 H new ATOM 209 N LYS A 26 -27.712 2.778 -8.352 1.00 0.00 N ATOM 210 CA LYS A 26 -28.074 3.156 -9.747 1.00 0.00 C ATOM 211 C LYS A 26 -27.003 4.088 -10.317 1.00 0.00 C ATOM 212 O LYS A 26 -26.719 4.076 -11.498 1.00 0.00 O ATOM 213 CB LYS A 26 -29.424 3.875 -9.750 1.00 0.00 C ATOM 214 CG LYS A 26 -30.522 2.906 -9.308 1.00 0.00 C ATOM 215 CD LYS A 26 -31.884 3.595 -9.422 1.00 0.00 C ATOM 216 CE LYS A 26 -32.970 2.676 -8.862 1.00 0.00 C ATOM 217 NZ LYS A 26 -34.014 2.452 -9.901 1.00 0.00 N ATOM 0 H LYS A 26 -28.376 3.073 -7.636 1.00 0.00 H new ATOM 0 HA LYS A 26 -28.140 2.256 -10.359 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -29.391 4.734 -9.080 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -29.642 4.257 -10.747 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -30.502 2.010 -9.928 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -30.348 2.587 -8.280 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -31.873 4.538 -8.875 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -32.097 3.833 -10.464 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -32.535 1.724 -8.557 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -33.416 3.122 -7.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -34.753 1.827 -9.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -34.436 3.363 -10.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -33.582 2.009 -10.737 1.00 0.00 H new ATOM 218 N LYS A 27 -26.408 4.896 -9.484 1.00 0.00 N ATOM 219 CA LYS A 27 -25.357 5.831 -9.975 1.00 0.00 C ATOM 220 C LYS A 27 -24.092 5.042 -10.318 1.00 0.00 C ATOM 221 O LYS A 27 -23.712 4.126 -9.616 1.00 0.00 O ATOM 222 CB LYS A 27 -25.040 6.858 -8.887 1.00 0.00 C ATOM 223 CG LYS A 27 -26.334 7.266 -8.178 1.00 0.00 C ATOM 224 CD LYS A 27 -26.161 8.653 -7.556 1.00 0.00 C ATOM 225 CE LYS A 27 -25.203 8.563 -6.367 1.00 0.00 C ATOM 226 NZ LYS A 27 -25.912 7.960 -5.203 1.00 0.00 N ATOM 0 H LYS A 27 -26.604 4.949 -8.484 1.00 0.00 H new ATOM 0 HA LYS A 27 -25.716 6.346 -10.866 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -24.336 6.437 -8.169 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -24.562 7.733 -9.326 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -27.162 7.275 -8.887 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -26.583 6.538 -7.406 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -25.772 9.350 -8.298 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -27.126 9.040 -7.230 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -24.335 7.959 -6.631 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -24.834 9.555 -6.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -25.361 8.127 -4.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -26.852 8.395 -5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -26.018 6.936 -5.354 1.00 0.00 H new ATOM 227 N PRO A 28 -23.431 5.412 -11.424 1.00 0.00 N ATOM 228 CA PRO A 28 -22.204 4.743 -11.873 1.00 0.00 C ATOM 229 C PRO A 28 -21.018 5.057 -10.956 1.00 0.00 C ATOM 230 O PRO A 28 -20.840 6.177 -10.516 1.00 0.00 O ATOM 231 CB PRO A 28 -21.962 5.335 -13.260 1.00 0.00 C ATOM 232 CG PRO A 28 -22.638 6.664 -13.227 1.00 0.00 C ATOM 233 CD PRO A 28 -23.829 6.509 -12.323 1.00 0.00 C ATOM 0 HA PRO A 28 -22.304 3.658 -11.869 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -20.897 5.438 -13.467 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -22.378 4.698 -14.041 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -21.963 7.434 -12.853 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -22.946 6.969 -14.227 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -24.037 7.426 -11.771 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -24.731 6.263 -12.884 1.00 0.00 H new ATOM 234 N ILE A 29 -20.206 4.079 -10.668 1.00 0.00 N ATOM 235 CA ILE A 29 -19.031 4.322 -9.783 1.00 0.00 C ATOM 236 C ILE A 29 -17.745 4.095 -10.576 1.00 0.00 C ATOM 237 O ILE A 29 -17.749 3.495 -11.632 1.00 0.00 O ATOM 238 CB ILE A 29 -19.059 3.359 -8.587 1.00 0.00 C ATOM 239 CG1 ILE A 29 -19.849 2.102 -8.955 1.00 0.00 C ATOM 240 CG2 ILE A 29 -19.711 4.047 -7.384 1.00 0.00 C ATOM 241 CD1 ILE A 29 -19.038 1.278 -9.956 1.00 0.00 C ATOM 0 H ILE A 29 -20.304 3.122 -11.007 1.00 0.00 H new ATOM 0 HA ILE A 29 -19.070 5.348 -9.418 1.00 0.00 H new ATOM 0 HB ILE A 29 -18.038 3.078 -8.329 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -20.055 1.512 -8.062 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -20.812 2.376 -9.386 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -19.729 3.360 -6.538 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -19.138 4.935 -7.118 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -20.731 4.336 -7.639 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -19.595 0.380 -10.223 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -18.855 1.871 -10.852 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -18.086 0.995 -9.507 1.00 0.00 H new ATOM 242 N GLN A 30 -16.645 4.567 -10.065 1.00 0.00 N ATOM 243 CA GLN A 30 -15.346 4.385 -10.767 1.00 0.00 C ATOM 244 C GLN A 30 -14.236 4.316 -9.719 1.00 0.00 C ATOM 245 O GLN A 30 -14.052 5.230 -8.940 1.00 0.00 O ATOM 246 CB GLN A 30 -15.099 5.568 -11.705 1.00 0.00 C ATOM 247 CG GLN A 30 -16.247 5.666 -12.711 1.00 0.00 C ATOM 248 CD GLN A 30 -16.300 4.387 -13.551 1.00 0.00 C ATOM 249 OE1 GLN A 30 -15.288 3.753 -13.778 1.00 0.00 O ATOM 250 NE2 GLN A 30 -17.446 3.977 -14.022 1.00 0.00 N ATOM 0 H GLN A 30 -16.589 5.076 -9.183 1.00 0.00 H new ATOM 0 HA GLN A 30 -15.362 3.467 -11.355 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -15.024 6.492 -11.131 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -14.152 5.440 -12.229 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -17.192 5.809 -12.187 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -16.106 6.533 -13.357 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -18.295 4.509 -13.832 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -17.492 3.125 -14.580 1.00 0.00 H new ATOM 251 N SER A 31 -13.506 3.235 -9.679 1.00 0.00 N ATOM 252 CA SER A 31 -12.429 3.102 -8.658 1.00 0.00 C ATOM 253 C SER A 31 -11.185 3.875 -9.097 1.00 0.00 C ATOM 254 O SER A 31 -10.855 3.941 -10.265 1.00 0.00 O ATOM 255 CB SER A 31 -12.080 1.623 -8.484 1.00 0.00 C ATOM 256 OG SER A 31 -11.965 1.325 -7.099 1.00 0.00 O ATOM 0 H SER A 31 -13.609 2.439 -10.309 1.00 0.00 H new ATOM 0 HA SER A 31 -12.781 3.512 -7.711 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.851 1.000 -8.939 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.144 1.396 -8.995 1.00 0.00 H new ATOM 0 HG SER A 31 -12.062 0.359 -6.963 1.00 0.00 H new ATOM 257 N LEU A 32 -10.498 4.468 -8.158 1.00 0.00 N ATOM 258 CA LEU A 32 -9.275 5.249 -8.495 1.00 0.00 C ATOM 259 C LEU A 32 -8.056 4.327 -8.452 1.00 0.00 C ATOM 260 O LEU A 32 -7.015 4.631 -9.001 1.00 0.00 O ATOM 261 CB LEU A 32 -9.091 6.372 -7.469 1.00 0.00 C ATOM 262 CG LEU A 32 -10.295 7.319 -7.509 1.00 0.00 C ATOM 263 CD1 LEU A 32 -11.533 6.603 -6.970 1.00 0.00 C ATOM 264 CD2 LEU A 32 -10.005 8.540 -6.638 1.00 0.00 C ATOM 0 H LEU A 32 -10.734 4.444 -7.166 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.379 5.675 -9.493 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.983 5.949 -6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.176 6.924 -7.682 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.475 7.630 -8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.387 7.280 -7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.743 5.727 -7.584 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.354 6.291 -5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.859 9.216 -6.664 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.826 8.220 -5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.122 9.056 -7.017 1.00 0.00 H new ATOM 265 N ASP A 33 -8.176 3.203 -7.800 1.00 0.00 N ATOM 266 CA ASP A 33 -7.026 2.260 -7.717 1.00 0.00 C ATOM 267 C ASP A 33 -6.828 1.569 -9.069 1.00 0.00 C ATOM 268 O ASP A 33 -5.925 0.775 -9.244 1.00 0.00 O ATOM 269 CB ASP A 33 -7.306 1.205 -6.645 1.00 0.00 C ATOM 270 CG ASP A 33 -7.432 1.885 -5.279 1.00 0.00 C ATOM 271 OD1 ASP A 33 -7.017 3.026 -5.167 1.00 0.00 O ATOM 272 OD2 ASP A 33 -7.940 1.251 -4.369 1.00 0.00 O ATOM 0 H ASP A 33 -9.023 2.897 -7.320 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.124 2.814 -7.457 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.224 0.666 -6.881 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.501 0.470 -6.624 1.00 0.00 H new ATOM 273 N GLY A 34 -7.666 1.860 -10.027 1.00 0.00 N ATOM 274 CA GLY A 34 -7.525 1.214 -11.362 1.00 0.00 C ATOM 275 C GLY A 34 -8.609 0.146 -11.519 1.00 0.00 C ATOM 276 O GLY A 34 -8.504 -0.745 -12.340 1.00 0.00 O ATOM 0 H GLY A 34 -8.442 2.517 -9.942 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.615 1.960 -12.152 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.537 0.764 -11.459 1.00 0.00 H new ATOM 277 N ILE A 35 -9.648 0.230 -10.736 1.00 0.00 N ATOM 278 CA ILE A 35 -10.741 -0.778 -10.835 1.00 0.00 C ATOM 279 C ILE A 35 -12.019 -0.093 -11.318 1.00 0.00 C ATOM 280 O ILE A 35 -12.290 1.043 -10.982 1.00 0.00 O ATOM 281 CB ILE A 35 -10.991 -1.404 -9.459 1.00 0.00 C ATOM 282 CG1 ILE A 35 -9.657 -1.704 -8.770 1.00 0.00 C ATOM 283 CG2 ILE A 35 -11.780 -2.705 -9.625 1.00 0.00 C ATOM 284 CD1 ILE A 35 -9.719 -1.232 -7.316 1.00 0.00 C ATOM 0 H ILE A 35 -9.788 0.954 -10.031 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.452 -1.557 -11.540 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.561 -0.704 -8.848 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.448 -2.773 -8.808 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.844 -1.201 -9.293 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -11.958 -3.150 -8.646 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.735 -2.493 -10.106 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.210 -3.400 -10.242 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.770 -1.445 -6.824 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.909 -0.159 -7.290 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.522 -1.756 -6.797 1.00 0.00 H new ATOM 285 N MET A 36 -12.810 -0.772 -12.101 1.00 0.00 N ATOM 286 CA MET A 36 -14.071 -0.154 -12.598 1.00 0.00 C ATOM 287 C MET A 36 -15.249 -0.674 -11.771 1.00 0.00 C ATOM 288 O MET A 36 -16.264 -1.078 -12.302 1.00 0.00 O ATOM 289 CB MET A 36 -14.278 -0.521 -14.069 1.00 0.00 C ATOM 290 CG MET A 36 -13.091 -0.019 -14.894 1.00 0.00 C ATOM 291 SD MET A 36 -13.351 -0.427 -16.638 1.00 0.00 S ATOM 292 CE MET A 36 -13.575 -2.209 -16.420 1.00 0.00 C ATOM 0 H MET A 36 -12.639 -1.726 -12.418 1.00 0.00 H new ATOM 0 HA MET A 36 -14.007 0.930 -12.503 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.376 -1.601 -14.175 1.00 0.00 H new ATOM 0 HB3 MET A 36 -15.203 -0.079 -14.438 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.981 1.059 -14.774 1.00 0.00 H new ATOM 0 HG3 MET A 36 -12.168 -0.475 -14.537 1.00 0.00 H new ATOM 0 HE1 MET A 36 -13.197 -2.733 -17.298 1.00 0.00 H new ATOM 0 HE2 MET A 36 -13.028 -2.539 -15.537 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.635 -2.430 -16.294 1.00 0.00 H new ATOM 293 N PHE A 37 -15.121 -0.667 -10.472 1.00 0.00 N ATOM 294 CA PHE A 37 -16.232 -1.162 -9.612 1.00 0.00 C ATOM 295 C PHE A 37 -16.583 -0.098 -8.571 1.00 0.00 C ATOM 296 O PHE A 37 -15.995 0.964 -8.532 1.00 0.00 O ATOM 297 CB PHE A 37 -15.796 -2.446 -8.902 1.00 0.00 C ATOM 298 CG PHE A 37 -16.231 -3.643 -9.713 1.00 0.00 C ATOM 299 CD1 PHE A 37 -17.589 -3.853 -9.978 1.00 0.00 C ATOM 300 CD2 PHE A 37 -15.275 -4.544 -10.200 1.00 0.00 C ATOM 301 CE1 PHE A 37 -17.993 -4.963 -10.729 1.00 0.00 C ATOM 302 CE2 PHE A 37 -15.680 -5.655 -10.951 1.00 0.00 C ATOM 303 CZ PHE A 37 -17.038 -5.864 -11.216 1.00 0.00 C ATOM 0 H PHE A 37 -14.296 -0.340 -9.970 1.00 0.00 H new ATOM 0 HA PHE A 37 -17.106 -1.368 -10.230 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.714 -2.454 -8.774 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -16.235 -2.490 -7.905 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -18.326 -3.158 -9.603 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -14.227 -4.382 -9.997 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -19.041 -5.125 -10.933 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -14.944 -6.351 -11.326 1.00 0.00 H new ATOM 0 HZ PHE A 37 -17.350 -6.720 -11.796 1.00 0.00 H new ATOM 304 N ILE A 38 -17.540 -0.374 -7.724 1.00 0.00 N ATOM 305 CA ILE A 38 -17.924 0.624 -6.687 1.00 0.00 C ATOM 306 C ILE A 38 -16.670 1.129 -5.978 1.00 0.00 C ATOM 307 O ILE A 38 -16.084 0.443 -5.163 1.00 0.00 O ATOM 308 CB ILE A 38 -18.860 -0.029 -5.666 1.00 0.00 C ATOM 309 CG1 ILE A 38 -20.122 -0.527 -6.372 1.00 0.00 C ATOM 310 CG2 ILE A 38 -19.245 0.999 -4.600 1.00 0.00 C ATOM 311 CD1 ILE A 38 -20.909 -1.437 -5.427 1.00 0.00 C ATOM 0 H ILE A 38 -18.070 -1.245 -7.707 1.00 0.00 H new ATOM 0 HA ILE A 38 -18.436 1.461 -7.163 1.00 0.00 H new ATOM 0 HB ILE A 38 -18.353 -0.871 -5.195 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -20.738 0.318 -6.677 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -19.854 -1.070 -7.278 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -19.911 0.536 -3.872 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -18.346 1.354 -4.095 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -19.752 1.840 -5.072 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -21.809 -1.792 -5.929 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -20.291 -2.289 -5.144 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -21.189 -0.879 -4.534 1.00 0.00 H new ATOM 312 N ASN A 39 -16.249 2.325 -6.284 1.00 0.00 N ATOM 313 CA ASN A 39 -15.030 2.876 -5.632 1.00 0.00 C ATOM 314 C ASN A 39 -15.284 3.053 -4.139 1.00 0.00 C ATOM 315 O ASN A 39 -14.376 2.989 -3.335 1.00 0.00 O ATOM 316 CB ASN A 39 -14.688 4.229 -6.249 1.00 0.00 C ATOM 317 CG ASN A 39 -13.455 4.810 -5.553 1.00 0.00 C ATOM 318 OD1 ASN A 39 -13.495 5.911 -5.039 1.00 0.00 O ATOM 319 ND2 ASN A 39 -12.351 4.112 -5.515 1.00 0.00 N ATOM 0 H ASN A 39 -16.698 2.945 -6.958 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.199 2.186 -5.781 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.497 4.116 -7.316 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.532 4.911 -6.147 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.524 4.491 -5.054 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.317 3.188 -5.946 1.00 0.00 H new ATOM 320 N LYS A 40 -16.508 3.275 -3.757 1.00 0.00 N ATOM 321 CA LYS A 40 -16.799 3.450 -2.318 1.00 0.00 C ATOM 322 C LYS A 40 -16.439 2.159 -1.588 1.00 0.00 C ATOM 323 O LYS A 40 -15.508 2.110 -0.813 1.00 0.00 O ATOM 324 CB LYS A 40 -18.284 3.768 -2.138 1.00 0.00 C ATOM 325 CG LYS A 40 -18.643 4.994 -2.979 1.00 0.00 C ATOM 326 CD LYS A 40 -20.134 5.304 -2.821 1.00 0.00 C ATOM 327 CE LYS A 40 -20.527 6.430 -3.779 1.00 0.00 C ATOM 328 NZ LYS A 40 -21.971 6.306 -4.129 1.00 0.00 N ATOM 0 H LYS A 40 -17.314 3.342 -4.379 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.213 4.273 -1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.890 2.914 -2.441 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.503 3.957 -1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.047 5.851 -2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.408 4.810 -4.027 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -20.725 4.412 -3.029 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.348 5.596 -1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.336 7.398 -3.316 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.918 6.383 -4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.237 7.072 -4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -22.140 5.388 -4.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.545 6.372 -3.264 1.00 0.00 H new ATOM 329 N CYS A 41 -17.153 1.105 -1.851 1.00 0.00 N ATOM 330 CA CYS A 41 -16.836 -0.188 -1.184 1.00 0.00 C ATOM 331 C CYS A 41 -15.394 -0.579 -1.502 1.00 0.00 C ATOM 332 O CYS A 41 -14.796 -1.393 -0.827 1.00 0.00 O ATOM 333 CB CYS A 41 -17.781 -1.280 -1.692 1.00 0.00 C ATOM 334 SG CYS A 41 -19.443 -1.019 -1.025 1.00 0.00 S ATOM 0 H CYS A 41 -17.942 1.080 -2.497 1.00 0.00 H new ATOM 0 HA CYS A 41 -16.960 -0.078 -0.107 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -17.811 -1.268 -2.782 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -17.410 -2.261 -1.394 1.00 0.00 H new ATOM 335 N ALA A 42 -14.833 -0.007 -2.530 1.00 0.00 N ATOM 336 CA ALA A 42 -13.431 -0.344 -2.899 1.00 0.00 C ATOM 337 C ALA A 42 -12.455 0.418 -2.001 1.00 0.00 C ATOM 338 O ALA A 42 -11.500 -0.138 -1.496 1.00 0.00 O ATOM 339 CB ALA A 42 -13.186 0.046 -4.355 1.00 0.00 C ATOM 0 H ALA A 42 -15.286 0.681 -3.132 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.274 -1.415 -2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.160 -0.199 -4.630 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.875 -0.501 -4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.348 1.117 -4.477 1.00 0.00 H new ATOM 340 N THR A 43 -12.676 1.691 -1.807 1.00 0.00 N ATOM 341 CA THR A 43 -11.744 2.481 -0.953 1.00 0.00 C ATOM 342 C THR A 43 -12.415 2.828 0.379 1.00 0.00 C ATOM 343 O THR A 43 -11.791 2.790 1.422 1.00 0.00 O ATOM 344 CB THR A 43 -11.355 3.769 -1.685 1.00 0.00 C ATOM 345 OG1 THR A 43 -12.482 4.269 -2.392 1.00 0.00 O ATOM 346 CG2 THR A 43 -10.220 3.477 -2.669 1.00 0.00 C ATOM 0 H THR A 43 -13.457 2.215 -2.201 1.00 0.00 H new ATOM 0 HA THR A 43 -10.851 1.888 -0.753 1.00 0.00 H new ATOM 0 HB THR A 43 -11.021 4.512 -0.961 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.745 3.627 -3.084 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.944 4.394 -3.189 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.356 3.095 -2.125 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.550 2.734 -3.395 1.00 0.00 H new ATOM 347 N CYS A 44 -13.675 3.171 0.364 1.00 0.00 N ATOM 348 CA CYS A 44 -14.360 3.521 1.642 1.00 0.00 C ATOM 349 C CYS A 44 -14.202 2.370 2.635 1.00 0.00 C ATOM 350 O CYS A 44 -14.154 2.576 3.831 1.00 0.00 O ATOM 351 CB CYS A 44 -15.845 3.780 1.390 1.00 0.00 C ATOM 352 SG CYS A 44 -16.020 5.255 0.358 1.00 0.00 S ATOM 0 H CYS A 44 -14.257 3.224 -0.472 1.00 0.00 H new ATOM 0 HA CYS A 44 -13.909 4.424 2.053 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -16.299 2.920 0.897 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -16.369 3.918 2.336 1.00 0.00 H new ATOM 353 N LYS A 45 -14.117 1.161 2.155 1.00 0.00 N ATOM 354 CA LYS A 45 -13.957 0.010 3.085 1.00 0.00 C ATOM 355 C LYS A 45 -12.745 0.264 3.982 1.00 0.00 C ATOM 356 O LYS A 45 -12.792 0.063 5.179 1.00 0.00 O ATOM 357 CB LYS A 45 -13.743 -1.271 2.281 1.00 0.00 C ATOM 358 CG LYS A 45 -15.091 -1.921 1.975 1.00 0.00 C ATOM 359 CD LYS A 45 -14.860 -3.316 1.388 1.00 0.00 C ATOM 360 CE LYS A 45 -16.146 -3.807 0.720 1.00 0.00 C ATOM 361 NZ LYS A 45 -15.859 -5.044 -0.059 1.00 0.00 N ATOM 0 H LYS A 45 -14.151 0.921 1.164 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.852 -0.099 3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.219 -1.045 1.352 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.114 -1.963 2.842 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.688 -1.991 2.884 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.652 -1.306 1.271 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.048 -3.287 0.661 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.559 -4.008 2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.907 -4.008 1.474 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.545 -3.035 0.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.733 -5.379 -0.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.147 -4.838 -0.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.497 -5.781 0.580 1.00 0.00 H new ATOM 362 N MET A 46 -11.664 0.720 3.413 1.00 0.00 N ATOM 363 CA MET A 46 -10.455 1.007 4.233 1.00 0.00 C ATOM 364 C MET A 46 -10.657 2.349 4.931 1.00 0.00 C ATOM 365 O MET A 46 -10.236 2.550 6.053 1.00 0.00 O ATOM 366 CB MET A 46 -9.221 1.077 3.330 1.00 0.00 C ATOM 367 CG MET A 46 -8.929 -0.310 2.756 1.00 0.00 C ATOM 368 SD MET A 46 -7.452 -0.231 1.712 1.00 0.00 S ATOM 369 CE MET A 46 -6.254 0.062 3.037 1.00 0.00 C ATOM 0 H MET A 46 -11.566 0.906 2.415 1.00 0.00 H new ATOM 0 HA MET A 46 -10.306 0.218 4.970 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.389 1.789 2.522 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.362 1.436 3.897 1.00 0.00 H new ATOM 0 HG2 MET A 46 -8.778 -1.026 3.564 1.00 0.00 H new ATOM 0 HG3 MET A 46 -9.781 -0.661 2.174 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.348 -0.512 2.842 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.009 1.123 3.078 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.682 -0.249 3.990 1.00 0.00 H new ATOM 370 N ILE A 47 -11.316 3.266 4.276 1.00 0.00 N ATOM 371 CA ILE A 47 -11.566 4.592 4.901 1.00 0.00 C ATOM 372 C ILE A 47 -12.569 4.409 6.040 1.00 0.00 C ATOM 373 O ILE A 47 -12.630 5.198 6.961 1.00 0.00 O ATOM 374 CB ILE A 47 -12.140 5.550 3.855 1.00 0.00 C ATOM 375 CG1 ILE A 47 -11.191 5.626 2.657 1.00 0.00 C ATOM 376 CG2 ILE A 47 -12.299 6.943 4.465 1.00 0.00 C ATOM 377 CD1 ILE A 47 -9.772 5.924 3.148 1.00 0.00 C ATOM 0 H ILE A 47 -11.692 3.152 3.334 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.635 5.007 5.288 1.00 0.00 H new ATOM 0 HB ILE A 47 -13.113 5.185 3.528 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.207 4.685 2.107 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.520 6.404 1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.708 7.623 3.718 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.976 6.892 5.318 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.327 7.309 4.795 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.096 5.978 2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.763 6.876 3.679 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.445 5.130 3.820 1.00 0.00 H new ATOM 378 N LEU A 48 -13.352 3.364 5.985 1.00 0.00 N ATOM 379 CA LEU A 48 -14.346 3.120 7.066 1.00 0.00 C ATOM 380 C LEU A 48 -13.601 2.792 8.360 1.00 0.00 C ATOM 381 O LEU A 48 -13.991 3.205 9.435 1.00 0.00 O ATOM 382 CB LEU A 48 -15.240 1.941 6.677 1.00 0.00 C ATOM 383 CG LEU A 48 -16.576 2.045 7.414 1.00 0.00 C ATOM 384 CD1 LEU A 48 -16.322 2.271 8.906 1.00 0.00 C ATOM 385 CD2 LEU A 48 -17.381 3.216 6.852 1.00 0.00 C ATOM 0 H LEU A 48 -13.345 2.670 5.237 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.962 4.007 7.211 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.407 1.938 5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -14.748 1.001 6.926 1.00 0.00 H new ATOM 0 HG LEU A 48 -17.137 1.120 7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.275 2.345 9.430 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.750 1.435 9.309 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -15.760 3.195 9.044 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -18.333 3.289 7.378 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.820 4.141 6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.565 3.055 5.790 1.00 0.00 H new ATOM 386 N GLU A 49 -12.530 2.053 8.265 1.00 0.00 N ATOM 387 CA GLU A 49 -11.758 1.699 9.491 1.00 0.00 C ATOM 388 C GLU A 49 -11.269 2.977 10.176 1.00 0.00 C ATOM 389 O GLU A 49 -11.167 3.044 11.384 1.00 0.00 O ATOM 390 CB GLU A 49 -10.555 0.836 9.104 1.00 0.00 C ATOM 391 CG GLU A 49 -11.046 -0.463 8.460 1.00 0.00 C ATOM 392 CD GLU A 49 -9.845 -1.344 8.113 1.00 0.00 C ATOM 393 OE1 GLU A 49 -8.731 -0.853 8.196 1.00 0.00 O ATOM 394 OE2 GLU A 49 -10.059 -2.495 7.771 1.00 0.00 O ATOM 0 H GLU A 49 -12.156 1.679 7.393 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.400 1.144 10.175 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.913 1.378 8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.955 0.613 9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.713 -0.990 9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.620 -0.241 7.560 1.00 0.00 H new ATOM 395 N LYS A 50 -10.963 3.990 9.413 1.00 0.00 N ATOM 396 CA LYS A 50 -10.479 5.263 10.019 1.00 0.00 C ATOM 397 C LYS A 50 -11.498 5.765 11.045 1.00 0.00 C ATOM 398 O LYS A 50 -11.143 6.228 12.111 1.00 0.00 O ATOM 399 CB LYS A 50 -10.300 6.314 8.922 1.00 0.00 C ATOM 400 CG LYS A 50 -9.657 7.569 9.519 1.00 0.00 C ATOM 401 CD LYS A 50 -9.521 8.638 8.434 1.00 0.00 C ATOM 402 CE LYS A 50 -8.728 9.825 8.985 1.00 0.00 C ATOM 403 NZ LYS A 50 -9.334 11.096 8.497 1.00 0.00 N ATOM 0 H LYS A 50 -11.027 3.991 8.395 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.524 5.087 10.515 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.675 5.917 8.122 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.265 6.562 8.480 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.265 7.946 10.341 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.677 7.328 9.931 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.017 8.224 7.561 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.507 8.966 8.106 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.730 9.803 10.075 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.687 9.760 8.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.796 11.903 8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.310 11.115 7.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.320 11.157 8.821 1.00 0.00 H new ATOM 404 N GLU A 51 -12.761 5.679 10.732 1.00 0.00 N ATOM 405 CA GLU A 51 -13.801 6.155 11.688 1.00 0.00 C ATOM 406 C GLU A 51 -13.664 5.398 13.011 1.00 0.00 C ATOM 407 O GLU A 51 -13.952 5.922 14.069 1.00 0.00 O ATOM 408 CB GLU A 51 -15.190 5.903 11.098 1.00 0.00 C ATOM 409 CG GLU A 51 -16.251 6.510 12.016 1.00 0.00 C ATOM 410 CD GLU A 51 -17.644 6.159 11.488 1.00 0.00 C ATOM 411 OE1 GLU A 51 -17.718 5.466 10.487 1.00 0.00 O ATOM 412 OE2 GLU A 51 -18.611 6.591 12.093 1.00 0.00 O ATOM 0 H GLU A 51 -13.119 5.300 9.855 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.669 7.222 11.865 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.260 6.343 10.103 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.360 4.832 10.986 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -16.129 6.131 13.031 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.130 7.592 12.063 1.00 0.00 H new ATOM 413 N ALA A 52 -13.229 4.168 12.962 1.00 0.00 N ATOM 414 CA ALA A 52 -13.076 3.382 14.218 1.00 0.00 C ATOM 415 C ALA A 52 -12.032 4.049 15.115 1.00 0.00 C ATOM 416 O ALA A 52 -12.081 3.944 16.325 1.00 0.00 O ATOM 417 CB ALA A 52 -12.623 1.961 13.876 1.00 0.00 C ATOM 0 H ALA A 52 -12.973 3.674 12.107 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.031 3.344 14.742 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.510 1.384 14.794 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.368 1.485 13.238 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.668 2.000 13.352 1.00 0.00 H new ATOM 418 N LYS A 53 -11.087 4.735 14.533 1.00 0.00 N ATOM 419 CA LYS A 53 -10.041 5.407 15.353 1.00 0.00 C ATOM 420 C LYS A 53 -10.704 6.388 16.322 1.00 0.00 C ATOM 421 O LYS A 53 -10.251 6.581 17.433 1.00 0.00 O ATOM 422 CB LYS A 53 -9.082 6.166 14.434 1.00 0.00 C ATOM 423 CG LYS A 53 -8.328 5.171 13.551 1.00 0.00 C ATOM 424 CD LYS A 53 -7.281 5.917 12.721 1.00 0.00 C ATOM 425 CE LYS A 53 -6.612 4.942 11.751 1.00 0.00 C ATOM 426 NZ LYS A 53 -5.502 4.231 12.446 1.00 0.00 N ATOM 0 H LYS A 53 -10.994 4.859 13.525 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.486 4.658 15.918 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.636 6.871 13.814 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.377 6.749 15.027 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.846 4.413 14.169 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.025 4.651 12.894 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.751 6.731 12.169 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.534 6.366 13.376 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.342 4.223 11.380 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.227 5.481 10.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.047 3.568 11.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.801 4.923 12.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.882 3.705 13.259 1.00 0.00 H new ATOM 427 N SER A 54 -11.775 7.012 15.911 1.00 0.00 N ATOM 428 CA SER A 54 -12.465 7.979 16.809 1.00 0.00 C ATOM 429 C SER A 54 -12.997 7.242 18.040 1.00 0.00 C ATOM 430 O SER A 54 -13.163 7.818 19.096 1.00 0.00 O ATOM 431 CB SER A 54 -13.630 8.628 16.060 1.00 0.00 C ATOM 432 OG SER A 54 -14.624 7.651 15.793 1.00 0.00 O ATOM 0 H SER A 54 -12.201 6.893 14.992 1.00 0.00 H new ATOM 0 HA SER A 54 -11.761 8.749 17.123 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.052 9.438 16.654 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.277 9.067 15.127 1.00 0.00 H new ATOM 0 HG SER A 54 -14.384 7.153 14.984 1.00 0.00 H new ATOM 433 N GLN A 55 -13.266 5.972 17.911 1.00 0.00 N ATOM 434 CA GLN A 55 -13.788 5.199 19.074 1.00 0.00 C ATOM 435 C GLN A 55 -13.113 3.827 19.118 1.00 0.00 C ATOM 436 O GLN A 55 -11.894 3.787 19.110 1.00 0.00 O ATOM 437 CB GLN A 55 -15.300 5.020 18.931 1.00 0.00 C ATOM 438 CG GLN A 55 -15.987 6.385 19.015 1.00 0.00 C ATOM 439 CD GLN A 55 -17.495 6.210 18.835 1.00 0.00 C ATOM 440 OE1 GLN A 55 -17.946 5.199 18.333 1.00 0.00 O ATOM 441 NE2 GLN A 55 -18.301 7.158 19.226 1.00 0.00 N ATOM 442 OXT GLN A 55 -13.828 2.838 19.159 1.00 0.00 O ATOM 0 H GLN A 55 -13.147 5.436 17.051 1.00 0.00 H new ATOM 0 HA GLN A 55 -13.573 5.740 19.996 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -15.532 4.543 17.979 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -15.675 4.364 19.716 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -15.777 6.851 19.978 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -15.593 7.050 18.246 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -17.924 8.007 19.647 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -19.309 7.051 19.110 1.00 0.00 H new TER 443 GLN A 55