USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=9 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 26 LYS NZ :NH3+ -142:sc= -0.654 (180deg=-3.35!) USER MOD Set 1.2: A 36 MET CE :methyl -120:sc= -0.819 (180deg=-3.15!) USER MOD Set 2.1: A 31 SER OG : rot -82:sc= -1.81 USER MOD Set 2.2: A 39 ASN : amide:sc= -10.9! C(o=-14!,f=-16!) USER MOD Set 2.3: A 43 THR OG1 : rot 74:sc= -1.73! USER MOD Single : A 2 ASN : amide:sc= -0.371 X(o=-0.37,f=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -2.56! C(o=-2.6!,f=-5.4!) USER MOD Single : A 12 GLN : amide:sc= -0.338 K(o=-0.34,f=-2.2!) USER MOD Single : A 15 MET CE :methyl 150:sc= -0.167 (180deg=-1.03) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.146 K(o=-0.15,f=-2.1!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0129) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 40 LYS NZ :NH3+ -112:sc= 0.872 (180deg=-0.446) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -152:sc= -0.248 (180deg=-1.42!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -168:sc=-0.00109 (180deg=-0.144) USER MOD ----------------------------------------------------------------- ATOM 10 N ASN A 2 -8.495 12.911 -1.562 1.00 0.00 N ATOM 11 CA ASN A 2 -9.322 13.364 -0.408 1.00 0.00 C ATOM 12 C ASN A 2 -10.802 13.320 -0.794 1.00 0.00 C ATOM 13 O ASN A 2 -11.654 12.999 0.009 1.00 0.00 O ATOM 14 CB ASN A 2 -8.934 14.795 -0.033 1.00 0.00 C ATOM 15 CG ASN A 2 -7.449 14.842 0.332 1.00 0.00 C ATOM 16 OD1 ASN A 2 -6.738 15.734 -0.084 1.00 0.00 O ATOM 17 ND2 ASN A 2 -6.947 13.912 1.099 1.00 0.00 N ATOM 0 HA ASN A 2 -9.149 12.707 0.444 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -9.136 15.468 -0.866 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.537 15.138 0.808 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.958 13.935 1.348 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.544 13.162 1.449 1.00 0.00 H new ATOM 18 N GLU A 3 -11.113 13.642 -2.020 1.00 0.00 N ATOM 19 CA GLU A 3 -12.538 13.621 -2.458 1.00 0.00 C ATOM 20 C GLU A 3 -13.131 12.236 -2.197 1.00 0.00 C ATOM 21 O GLU A 3 -14.290 12.100 -1.858 1.00 0.00 O ATOM 22 CB GLU A 3 -12.613 13.935 -3.955 1.00 0.00 C ATOM 23 CG GLU A 3 -14.076 14.118 -4.364 1.00 0.00 C ATOM 24 CD GLU A 3 -14.155 14.372 -5.871 1.00 0.00 C ATOM 25 OE1 GLU A 3 -13.112 14.400 -6.502 1.00 0.00 O ATOM 26 OE2 GLU A 3 -15.258 14.534 -6.367 1.00 0.00 O ATOM 0 H GLU A 3 -10.442 13.919 -2.737 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.103 14.368 -1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.046 14.839 -4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.162 13.127 -4.530 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.652 13.230 -4.103 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.515 14.954 -3.820 1.00 0.00 H new ATOM 27 N ASP A 4 -12.346 11.203 -2.352 1.00 0.00 N ATOM 28 CA ASP A 4 -12.868 9.829 -2.112 1.00 0.00 C ATOM 29 C ASP A 4 -13.485 9.753 -0.714 1.00 0.00 C ATOM 30 O ASP A 4 -14.437 9.035 -0.482 1.00 0.00 O ATOM 31 CB ASP A 4 -11.719 8.822 -2.219 1.00 0.00 C ATOM 32 CG ASP A 4 -12.292 7.407 -2.331 1.00 0.00 C ATOM 33 OD1 ASP A 4 -13.502 7.283 -2.417 1.00 0.00 O ATOM 34 OD2 ASP A 4 -11.509 6.470 -2.329 1.00 0.00 O ATOM 0 H ASP A 4 -11.367 11.253 -2.634 1.00 0.00 H new ATOM 0 HA ASP A 4 -13.629 9.594 -2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.104 9.047 -3.090 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -11.073 8.896 -1.344 1.00 0.00 H new ATOM 35 N GLN A 5 -12.948 10.490 0.219 1.00 0.00 N ATOM 36 CA GLN A 5 -13.501 10.464 1.602 1.00 0.00 C ATOM 37 C GLN A 5 -14.955 10.940 1.586 1.00 0.00 C ATOM 38 O GLN A 5 -15.792 10.434 2.306 1.00 0.00 O ATOM 39 CB GLN A 5 -12.672 11.388 2.498 1.00 0.00 C ATOM 40 CG GLN A 5 -11.259 10.820 2.647 1.00 0.00 C ATOM 41 CD GLN A 5 -10.429 11.747 3.538 1.00 0.00 C ATOM 42 OE1 GLN A 5 -10.801 12.880 3.769 1.00 0.00 O ATOM 43 NE2 GLN A 5 -9.312 11.309 4.052 1.00 0.00 N ATOM 0 H GLN A 5 -12.149 11.110 0.083 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.460 9.446 1.988 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -12.630 12.388 2.067 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -13.143 11.482 3.477 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.301 9.821 3.082 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.790 10.722 1.668 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.000 10.358 3.858 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.751 11.918 4.648 1.00 0.00 H new ATOM 44 N GLU A 6 -15.262 11.912 0.770 1.00 0.00 N ATOM 45 CA GLU A 6 -16.661 12.421 0.710 1.00 0.00 C ATOM 46 C GLU A 6 -17.593 11.310 0.218 1.00 0.00 C ATOM 47 O GLU A 6 -18.689 11.142 0.712 1.00 0.00 O ATOM 48 CB GLU A 6 -16.731 13.607 -0.255 1.00 0.00 C ATOM 49 CG GLU A 6 -15.898 14.764 0.298 1.00 0.00 C ATOM 50 CD GLU A 6 -16.456 15.191 1.657 1.00 0.00 C ATOM 51 OE1 GLU A 6 -17.586 14.837 1.950 1.00 0.00 O ATOM 52 OE2 GLU A 6 -15.743 15.865 2.383 1.00 0.00 O ATOM 0 H GLU A 6 -14.604 12.375 0.143 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.972 12.740 1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.359 13.313 -1.236 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.766 13.921 -0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.856 14.460 0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.918 15.605 -0.396 1.00 0.00 H new ATOM 53 N MET A 7 -17.164 10.551 -0.753 1.00 0.00 N ATOM 54 CA MET A 7 -18.025 9.453 -1.278 1.00 0.00 C ATOM 55 C MET A 7 -18.240 8.402 -0.187 1.00 0.00 C ATOM 56 O MET A 7 -19.193 7.649 -0.218 1.00 0.00 O ATOM 57 CB MET A 7 -17.342 8.804 -2.483 1.00 0.00 C ATOM 58 CG MET A 7 -17.350 9.781 -3.660 1.00 0.00 C ATOM 59 SD MET A 7 -16.528 9.022 -5.083 1.00 0.00 S ATOM 60 CE MET A 7 -16.355 10.527 -6.073 1.00 0.00 C ATOM 0 H MET A 7 -16.255 10.644 -1.206 1.00 0.00 H new ATOM 0 HA MET A 7 -18.989 9.862 -1.581 1.00 0.00 H new ATOM 0 HB2 MET A 7 -16.318 8.530 -2.230 1.00 0.00 H new ATOM 0 HB3 MET A 7 -17.859 7.884 -2.756 1.00 0.00 H new ATOM 0 HG2 MET A 7 -18.375 10.047 -3.918 1.00 0.00 H new ATOM 0 HG3 MET A 7 -16.841 10.704 -3.383 1.00 0.00 H new ATOM 0 HE1 MET A 7 -15.862 10.288 -7.015 1.00 0.00 H new ATOM 0 HE2 MET A 7 -17.341 10.945 -6.275 1.00 0.00 H new ATOM 0 HE3 MET A 7 -15.757 11.256 -5.526 1.00 0.00 H new ATOM 61 N CYS A 8 -17.362 8.343 0.775 1.00 0.00 N ATOM 62 CA CYS A 8 -17.517 7.338 1.864 1.00 0.00 C ATOM 63 C CYS A 8 -18.653 7.763 2.795 1.00 0.00 C ATOM 64 O CYS A 8 -19.352 6.939 3.350 1.00 0.00 O ATOM 65 CB CYS A 8 -16.211 7.241 2.653 1.00 0.00 C ATOM 66 SG CYS A 8 -14.896 6.653 1.558 1.00 0.00 S ATOM 0 H CYS A 8 -16.544 8.947 0.854 1.00 0.00 H new ATOM 0 HA CYS A 8 -17.753 6.365 1.433 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -15.948 8.215 3.066 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -16.331 6.560 3.495 1.00 0.00 H new ATOM 67 N HIS A 9 -18.845 9.040 2.967 1.00 0.00 N ATOM 68 CA HIS A 9 -19.940 9.513 3.859 1.00 0.00 C ATOM 69 C HIS A 9 -21.239 8.787 3.487 1.00 0.00 C ATOM 70 O HIS A 9 -21.955 8.298 4.338 1.00 0.00 O ATOM 71 CB HIS A 9 -20.115 11.028 3.684 1.00 0.00 C ATOM 72 CG HIS A 9 -21.471 11.453 4.180 1.00 0.00 C ATOM 73 ND1 HIS A 9 -22.638 11.084 3.531 1.00 0.00 N ATOM 74 CD2 HIS A 9 -21.862 12.211 5.255 1.00 0.00 C ATOM 75 CE1 HIS A 9 -23.667 11.615 4.215 1.00 0.00 C ATOM 76 NE2 HIS A 9 -23.250 12.312 5.276 1.00 0.00 N ATOM 0 H HIS A 9 -18.292 9.777 2.529 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.694 9.300 4.899 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.336 11.558 4.233 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -20.003 11.296 2.633 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.194 12.661 5.975 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.704 11.493 3.940 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.825 12.811 5.955 1.00 0.00 H new ATOM 77 N GLU A 10 -21.549 8.720 2.222 1.00 0.00 N ATOM 78 CA GLU A 10 -22.800 8.035 1.792 1.00 0.00 C ATOM 79 C GLU A 10 -22.698 6.530 2.062 1.00 0.00 C ATOM 80 O GLU A 10 -23.658 5.900 2.458 1.00 0.00 O ATOM 81 CB GLU A 10 -23.019 8.266 0.296 1.00 0.00 C ATOM 82 CG GLU A 10 -23.284 9.751 0.041 1.00 0.00 C ATOM 83 CD GLU A 10 -23.607 9.965 -1.440 1.00 0.00 C ATOM 84 OE1 GLU A 10 -23.472 9.019 -2.197 1.00 0.00 O ATOM 85 OE2 GLU A 10 -23.983 11.071 -1.790 1.00 0.00 O ATOM 0 H GLU A 10 -20.988 9.111 1.465 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.639 8.443 2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -22.143 7.941 -0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -23.861 7.670 -0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -24.114 10.094 0.658 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -22.412 10.341 0.323 1.00 0.00 H new ATOM 86 N PHE A 11 -21.551 5.945 1.845 1.00 0.00 N ATOM 87 CA PHE A 11 -21.414 4.480 2.086 1.00 0.00 C ATOM 88 C PHE A 11 -21.438 4.200 3.592 1.00 0.00 C ATOM 89 O PHE A 11 -21.610 3.077 4.020 1.00 0.00 O ATOM 90 CB PHE A 11 -20.096 3.975 1.487 1.00 0.00 C ATOM 91 CG PHE A 11 -20.386 2.886 0.478 1.00 0.00 C ATOM 92 CD1 PHE A 11 -21.439 1.990 0.700 1.00 0.00 C ATOM 93 CD2 PHE A 11 -19.607 2.774 -0.682 1.00 0.00 C ATOM 94 CE1 PHE A 11 -21.712 0.985 -0.234 1.00 0.00 C ATOM 95 CE2 PHE A 11 -19.881 1.769 -1.615 1.00 0.00 C ATOM 96 CZ PHE A 11 -20.935 0.874 -1.392 1.00 0.00 C ATOM 0 H PHE A 11 -20.708 6.414 1.514 1.00 0.00 H new ATOM 0 HA PHE A 11 -22.245 3.960 1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -19.563 4.797 1.008 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -19.449 3.592 2.276 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -22.041 2.075 1.593 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -18.795 3.464 -0.855 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -22.524 0.294 -0.061 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -19.280 1.683 -2.508 1.00 0.00 H new ATOM 0 HZ PHE A 11 -21.148 0.099 -2.113 1.00 0.00 H new ATOM 97 N GLN A 12 -21.276 5.213 4.400 1.00 0.00 N ATOM 98 CA GLN A 12 -21.301 4.998 5.875 1.00 0.00 C ATOM 99 C GLN A 12 -22.705 4.562 6.295 1.00 0.00 C ATOM 100 O GLN A 12 -22.874 3.722 7.157 1.00 0.00 O ATOM 101 CB GLN A 12 -20.937 6.302 6.589 1.00 0.00 C ATOM 102 CG GLN A 12 -19.431 6.545 6.473 1.00 0.00 C ATOM 103 CD GLN A 12 -19.083 7.894 7.105 1.00 0.00 C ATOM 104 OE1 GLN A 12 -19.960 8.665 7.441 1.00 0.00 O ATOM 105 NE2 GLN A 12 -17.830 8.213 7.284 1.00 0.00 N ATOM 0 H GLN A 12 -21.128 6.178 4.103 1.00 0.00 H new ATOM 0 HA GLN A 12 -20.580 4.226 6.145 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -21.485 7.135 6.149 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -21.227 6.248 7.638 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -18.883 5.745 6.972 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -19.129 6.533 5.426 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -17.094 7.566 7.002 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -17.587 9.109 7.706 1.00 0.00 H new ATOM 106 N ALA A 13 -23.717 5.125 5.691 1.00 0.00 N ATOM 107 CA ALA A 13 -25.109 4.740 6.054 1.00 0.00 C ATOM 108 C ALA A 13 -25.275 3.231 5.877 1.00 0.00 C ATOM 109 O ALA A 13 -25.931 2.572 6.660 1.00 0.00 O ATOM 110 CB ALA A 13 -26.097 5.472 5.143 1.00 0.00 C ATOM 0 H ALA A 13 -23.639 5.834 4.962 1.00 0.00 H new ATOM 0 HA ALA A 13 -25.305 5.012 7.091 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -27.115 5.190 5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -25.975 6.548 5.265 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -25.905 5.200 4.105 1.00 0.00 H new ATOM 111 N PHE A 14 -24.682 2.676 4.856 1.00 0.00 N ATOM 112 CA PHE A 14 -24.801 1.208 4.632 1.00 0.00 C ATOM 113 C PHE A 14 -23.800 0.477 5.528 1.00 0.00 C ATOM 114 O PHE A 14 -23.680 -0.732 5.482 1.00 0.00 O ATOM 115 CB PHE A 14 -24.498 0.889 3.167 1.00 0.00 C ATOM 116 CG PHE A 14 -25.518 1.564 2.282 1.00 0.00 C ATOM 117 CD1 PHE A 14 -26.750 0.947 2.037 1.00 0.00 C ATOM 118 CD2 PHE A 14 -25.231 2.807 1.705 1.00 0.00 C ATOM 119 CE1 PHE A 14 -27.696 1.572 1.216 1.00 0.00 C ATOM 120 CE2 PHE A 14 -26.176 3.433 0.884 1.00 0.00 C ATOM 121 CZ PHE A 14 -27.408 2.816 0.640 1.00 0.00 C ATOM 0 H PHE A 14 -24.120 3.176 4.167 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.813 0.883 4.873 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.495 1.230 2.910 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.519 -0.189 3.007 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -26.971 -0.012 2.482 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -24.280 3.283 1.894 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -28.647 1.096 1.027 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -25.954 4.392 0.439 1.00 0.00 H new ATOM 0 HZ PHE A 14 -28.137 3.299 0.007 1.00 0.00 H new ATOM 122 N MET A 15 -23.078 1.199 6.341 1.00 0.00 N ATOM 123 CA MET A 15 -22.084 0.543 7.235 1.00 0.00 C ATOM 124 C MET A 15 -22.803 -0.035 8.456 1.00 0.00 C ATOM 125 O MET A 15 -23.797 0.494 8.912 1.00 0.00 O ATOM 126 CB MET A 15 -21.048 1.574 7.686 1.00 0.00 C ATOM 127 CG MET A 15 -19.889 0.859 8.381 1.00 0.00 C ATOM 128 SD MET A 15 -18.790 2.084 9.137 1.00 0.00 S ATOM 129 CE MET A 15 -19.884 2.560 10.498 1.00 0.00 C ATOM 0 H MET A 15 -23.134 2.214 6.424 1.00 0.00 H new ATOM 0 HA MET A 15 -21.582 -0.261 6.697 1.00 0.00 H new ATOM 0 HB2 MET A 15 -20.681 2.136 6.827 1.00 0.00 H new ATOM 0 HB3 MET A 15 -21.506 2.293 8.365 1.00 0.00 H new ATOM 0 HG2 MET A 15 -20.271 0.179 9.142 1.00 0.00 H new ATOM 0 HG3 MET A 15 -19.337 0.254 7.662 1.00 0.00 H new ATOM 0 HE1 MET A 15 -19.285 2.866 11.356 1.00 0.00 H new ATOM 0 HE2 MET A 15 -20.517 3.390 10.183 1.00 0.00 H new ATOM 0 HE3 MET A 15 -20.509 1.712 10.776 1.00 0.00 H new ATOM 130 N LYS A 16 -22.310 -1.120 8.986 1.00 0.00 N ATOM 131 CA LYS A 16 -22.965 -1.735 10.174 1.00 0.00 C ATOM 132 C LYS A 16 -21.937 -2.562 10.950 1.00 0.00 C ATOM 133 O LYS A 16 -21.091 -3.217 10.373 1.00 0.00 O ATOM 134 CB LYS A 16 -24.104 -2.646 9.710 1.00 0.00 C ATOM 135 CG LYS A 16 -24.921 -3.100 10.919 1.00 0.00 C ATOM 136 CD LYS A 16 -26.026 -4.050 10.456 1.00 0.00 C ATOM 137 CE LYS A 16 -26.890 -4.453 11.652 1.00 0.00 C ATOM 138 NZ LYS A 16 -28.125 -5.130 11.165 1.00 0.00 N ATOM 0 H LYS A 16 -21.481 -1.608 8.647 1.00 0.00 H new ATOM 0 HA LYS A 16 -23.363 -0.951 10.818 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -24.743 -2.115 9.005 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -23.700 -3.512 9.185 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -24.276 -3.600 11.641 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -25.356 -2.237 11.423 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -26.641 -3.567 9.697 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -25.589 -4.936 9.995 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -26.332 -5.120 12.310 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -27.152 -3.572 12.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -28.714 -5.405 11.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -28.660 -4.480 10.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -27.865 -5.979 10.623 1.00 0.00 H new ATOM 139 N ASN A 17 -22.001 -2.538 12.253 1.00 0.00 N ATOM 140 CA ASN A 17 -21.026 -3.325 13.060 1.00 0.00 C ATOM 141 C ASN A 17 -19.605 -3.020 12.580 1.00 0.00 C ATOM 142 O ASN A 17 -18.720 -3.847 12.668 1.00 0.00 O ATOM 143 CB ASN A 17 -21.313 -4.817 12.888 1.00 0.00 C ATOM 144 CG ASN A 17 -20.811 -5.579 14.116 1.00 0.00 C ATOM 145 OD1 ASN A 17 -20.216 -5.002 15.003 1.00 0.00 O ATOM 146 ND2 ASN A 17 -21.029 -6.863 14.203 1.00 0.00 N ATOM 0 H ASN A 17 -22.685 -2.008 12.793 1.00 0.00 H new ATOM 0 HA ASN A 17 -21.120 -3.055 14.112 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -22.383 -4.980 12.758 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.823 -5.191 11.989 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -20.699 -7.382 15.017 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -21.529 -7.347 13.457 1.00 0.00 H new ATOM 147 N GLY A 18 -19.379 -1.839 12.071 1.00 0.00 N ATOM 148 CA GLY A 18 -18.016 -1.486 11.584 1.00 0.00 C ATOM 149 C GLY A 18 -17.785 -2.130 10.216 1.00 0.00 C ATOM 150 O GLY A 18 -16.674 -2.198 9.731 1.00 0.00 O ATOM 0 H GLY A 18 -20.079 -1.104 11.972 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -17.913 -0.403 11.511 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -17.263 -1.831 12.293 1.00 0.00 H new ATOM 151 N LYS A 19 -18.830 -2.602 9.594 1.00 0.00 N ATOM 152 CA LYS A 19 -18.676 -3.242 8.259 1.00 0.00 C ATOM 153 C LYS A 19 -19.427 -2.419 7.211 1.00 0.00 C ATOM 154 O LYS A 19 -20.455 -1.837 7.488 1.00 0.00 O ATOM 155 CB LYS A 19 -19.256 -4.657 8.306 1.00 0.00 C ATOM 156 CG LYS A 19 -18.819 -5.433 7.061 1.00 0.00 C ATOM 157 CD LYS A 19 -20.000 -6.245 6.524 1.00 0.00 C ATOM 158 CE LYS A 19 -19.480 -7.381 5.641 1.00 0.00 C ATOM 159 NZ LYS A 19 -20.306 -7.468 4.403 1.00 0.00 N ATOM 0 H LYS A 19 -19.784 -2.572 9.953 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.619 -3.289 7.996 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -18.916 -5.171 9.205 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -20.344 -4.613 8.356 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.461 -4.743 6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.989 -6.096 7.306 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.582 -6.651 7.351 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.667 -5.601 5.951 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.436 -7.206 5.382 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -19.520 -8.325 6.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -19.952 -8.240 3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -21.297 -7.654 4.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.246 -6.570 3.882 1.00 0.00 H new ATOM 160 N LEU A 20 -18.922 -2.367 6.011 1.00 0.00 N ATOM 161 CA LEU A 20 -19.609 -1.580 4.948 1.00 0.00 C ATOM 162 C LEU A 20 -20.469 -2.518 4.097 1.00 0.00 C ATOM 163 O LEU A 20 -19.981 -3.474 3.527 1.00 0.00 O ATOM 164 CB LEU A 20 -18.562 -0.898 4.066 1.00 0.00 C ATOM 165 CG LEU A 20 -19.255 -0.173 2.912 1.00 0.00 C ATOM 166 CD1 LEU A 20 -20.146 0.939 3.468 1.00 0.00 C ATOM 167 CD2 LEU A 20 -18.199 0.436 1.989 1.00 0.00 C ATOM 0 H LEU A 20 -18.064 -2.835 5.719 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.245 -0.822 5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.980 -0.190 4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.863 -1.638 3.676 1.00 0.00 H new ATOM 0 HG LEU A 20 -19.866 -0.881 2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -20.640 1.455 2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -20.898 0.507 4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -19.536 1.648 4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -18.691 0.954 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.590 1.144 2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.563 -0.355 1.592 1.00 0.00 H new ATOM 168 N PHE A 21 -21.745 -2.256 4.007 1.00 0.00 N ATOM 169 CA PHE A 21 -22.630 -3.137 3.195 1.00 0.00 C ATOM 170 C PHE A 21 -22.620 -2.672 1.737 1.00 0.00 C ATOM 171 O PHE A 21 -23.148 -1.631 1.403 1.00 0.00 O ATOM 172 CB PHE A 21 -24.060 -3.075 3.737 1.00 0.00 C ATOM 173 CG PHE A 21 -24.145 -3.827 5.045 1.00 0.00 C ATOM 174 CD1 PHE A 21 -23.471 -5.045 5.204 1.00 0.00 C ATOM 175 CD2 PHE A 21 -24.899 -3.304 6.103 1.00 0.00 C ATOM 176 CE1 PHE A 21 -23.553 -5.738 6.417 1.00 0.00 C ATOM 177 CE2 PHE A 21 -24.981 -3.997 7.317 1.00 0.00 C ATOM 178 CZ PHE A 21 -24.306 -5.214 7.474 1.00 0.00 C ATOM 0 H PHE A 21 -22.212 -1.471 4.461 1.00 0.00 H new ATOM 0 HA PHE A 21 -22.264 -4.162 3.254 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -24.358 -2.037 3.884 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -24.752 -3.506 3.013 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -22.888 -5.449 4.390 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -25.418 -2.365 5.982 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -23.035 -6.678 6.538 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -25.564 -3.593 8.131 1.00 0.00 H new ATOM 0 HZ PHE A 21 -24.367 -5.748 8.411 1.00 0.00 H new ATOM 179 N CYS A 22 -22.023 -3.440 0.869 1.00 0.00 N ATOM 180 CA CYS A 22 -21.977 -3.050 -0.568 1.00 0.00 C ATOM 181 C CYS A 22 -23.260 -3.510 -1.265 1.00 0.00 C ATOM 182 O CYS A 22 -23.519 -4.690 -1.391 1.00 0.00 O ATOM 183 CB CYS A 22 -20.770 -3.715 -1.233 1.00 0.00 C ATOM 184 SG CYS A 22 -19.275 -3.312 -0.296 1.00 0.00 S ATOM 0 H CYS A 22 -21.564 -4.323 1.093 1.00 0.00 H new ATOM 0 HA CYS A 22 -21.890 -1.967 -0.649 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -20.910 -4.795 -1.270 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -20.672 -3.371 -2.263 1.00 0.00 H new ATOM 185 N PRO A 23 -24.076 -2.551 -1.726 1.00 0.00 N ATOM 186 CA PRO A 23 -25.339 -2.849 -2.413 1.00 0.00 C ATOM 187 C PRO A 23 -25.102 -3.449 -3.803 1.00 0.00 C ATOM 188 O PRO A 23 -24.198 -3.055 -4.513 1.00 0.00 O ATOM 189 CB PRO A 23 -26.007 -1.481 -2.542 1.00 0.00 C ATOM 190 CG PRO A 23 -24.879 -0.506 -2.511 1.00 0.00 C ATOM 191 CD PRO A 23 -23.833 -1.103 -1.611 1.00 0.00 C ATOM 0 HA PRO A 23 -25.937 -3.581 -1.871 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -26.573 -1.402 -3.470 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -26.707 -1.303 -1.726 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -24.482 -0.339 -3.512 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -25.211 0.461 -2.134 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -22.826 -0.837 -1.932 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -23.941 -0.757 -0.583 1.00 0.00 H new ATOM 192 N GLN A 24 -25.906 -4.399 -4.195 1.00 0.00 N ATOM 193 CA GLN A 24 -25.725 -5.021 -5.537 1.00 0.00 C ATOM 194 C GLN A 24 -25.925 -3.962 -6.623 1.00 0.00 C ATOM 195 O GLN A 24 -25.351 -4.040 -7.692 1.00 0.00 O ATOM 196 CB GLN A 24 -26.750 -6.143 -5.724 1.00 0.00 C ATOM 197 CG GLN A 24 -26.512 -7.230 -4.674 1.00 0.00 C ATOM 198 CD GLN A 24 -27.616 -8.284 -4.771 1.00 0.00 C ATOM 199 OE1 GLN A 24 -28.658 -8.038 -5.343 1.00 0.00 O ATOM 200 NE2 GLN A 24 -27.428 -9.458 -4.233 1.00 0.00 N ATOM 0 H GLN A 24 -26.680 -4.771 -3.644 1.00 0.00 H new ATOM 0 HA GLN A 24 -24.718 -5.433 -5.612 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -27.761 -5.746 -5.630 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -26.665 -6.565 -6.726 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -25.538 -7.693 -4.829 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -26.501 -6.791 -3.677 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -26.552 -9.664 -3.752 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -28.157 -10.169 -4.293 1.00 0.00 H new ATOM 201 N ASP A 25 -26.734 -2.975 -6.359 1.00 0.00 N ATOM 202 CA ASP A 25 -26.971 -1.913 -7.377 1.00 0.00 C ATOM 203 C ASP A 25 -25.642 -1.244 -7.736 1.00 0.00 C ATOM 204 O ASP A 25 -24.761 -1.110 -6.910 1.00 0.00 O ATOM 205 CB ASP A 25 -27.932 -0.867 -6.809 1.00 0.00 C ATOM 206 CG ASP A 25 -29.312 -1.497 -6.612 1.00 0.00 C ATOM 207 OD1 ASP A 25 -29.524 -2.583 -7.126 1.00 0.00 O ATOM 208 OD2 ASP A 25 -30.133 -0.882 -5.953 1.00 0.00 O ATOM 0 H ASP A 25 -27.242 -2.857 -5.482 1.00 0.00 H new ATOM 0 HA ASP A 25 -27.406 -2.358 -8.272 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -27.554 -0.488 -5.859 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -28.002 -0.016 -7.486 1.00 0.00 H new ATOM 209 N LYS A 26 -25.492 -0.823 -8.962 1.00 0.00 N ATOM 210 CA LYS A 26 -24.220 -0.165 -9.373 1.00 0.00 C ATOM 211 C LYS A 26 -24.530 1.199 -9.995 1.00 0.00 C ATOM 212 O LYS A 26 -25.440 1.338 -10.788 1.00 0.00 O ATOM 213 CB LYS A 26 -23.501 -1.043 -10.399 1.00 0.00 C ATOM 214 CG LYS A 26 -22.123 -0.451 -10.702 1.00 0.00 C ATOM 215 CD LYS A 26 -21.418 -1.311 -11.755 1.00 0.00 C ATOM 216 CE LYS A 26 -19.993 -0.793 -11.966 1.00 0.00 C ATOM 217 NZ LYS A 26 -19.016 -1.830 -11.532 1.00 0.00 N ATOM 0 H LYS A 26 -26.195 -0.906 -9.696 1.00 0.00 H new ATOM 0 HA LYS A 26 -23.581 -0.029 -8.500 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -23.396 -2.058 -10.015 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -24.090 -1.108 -11.314 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -22.226 0.572 -11.063 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -21.525 -0.409 -9.792 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -21.394 -2.352 -11.433 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -21.970 -1.280 -12.694 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -19.836 -0.548 -13.016 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -19.841 0.125 -11.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -18.207 -1.371 -11.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -19.475 -2.482 -10.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -18.682 -2.361 -12.361 1.00 0.00 H new ATOM 218 N LYS A 27 -23.779 2.205 -9.642 1.00 0.00 N ATOM 219 CA LYS A 27 -24.030 3.558 -10.213 1.00 0.00 C ATOM 220 C LYS A 27 -22.863 3.952 -11.122 1.00 0.00 C ATOM 221 O LYS A 27 -21.758 3.470 -10.970 1.00 0.00 O ATOM 222 CB LYS A 27 -24.158 4.576 -9.078 1.00 0.00 C ATOM 223 CG LYS A 27 -25.620 4.661 -8.631 1.00 0.00 C ATOM 224 CD LYS A 27 -25.837 3.749 -7.422 1.00 0.00 C ATOM 225 CE LYS A 27 -25.346 4.455 -6.158 1.00 0.00 C ATOM 226 NZ LYS A 27 -26.393 5.402 -5.679 1.00 0.00 N ATOM 0 H LYS A 27 -23.002 2.149 -8.983 1.00 0.00 H new ATOM 0 HA LYS A 27 -24.953 3.542 -10.792 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -23.527 4.283 -8.239 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -23.811 5.554 -9.412 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -25.874 5.690 -8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -26.279 4.364 -9.447 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -26.894 3.500 -7.325 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -25.300 2.811 -7.560 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -25.122 3.722 -5.383 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -24.421 4.993 -6.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -25.941 6.203 -5.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -26.941 5.753 -6.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -27.029 4.911 -5.018 1.00 0.00 H new ATOM 227 N PRO A 28 -23.120 4.847 -12.087 1.00 0.00 N ATOM 228 CA PRO A 28 -22.098 5.315 -13.030 1.00 0.00 C ATOM 229 C PRO A 28 -21.044 6.193 -12.347 1.00 0.00 C ATOM 230 O PRO A 28 -20.961 7.381 -12.586 1.00 0.00 O ATOM 231 CB PRO A 28 -22.894 6.142 -14.040 1.00 0.00 C ATOM 232 CG PRO A 28 -24.107 6.582 -13.292 1.00 0.00 C ATOM 233 CD PRO A 28 -24.431 5.473 -12.332 1.00 0.00 C ATOM 0 HA PRO A 28 -21.547 4.487 -13.476 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -22.317 6.995 -14.397 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -23.161 5.550 -14.915 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -23.920 7.515 -12.760 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -24.939 6.764 -13.972 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -24.874 5.854 -11.412 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -25.142 4.765 -12.759 1.00 0.00 H new ATOM 234 N ILE A 29 -20.236 5.615 -11.500 1.00 0.00 N ATOM 235 CA ILE A 29 -19.187 6.413 -10.805 1.00 0.00 C ATOM 236 C ILE A 29 -17.809 5.872 -11.196 1.00 0.00 C ATOM 237 O ILE A 29 -17.475 4.738 -10.921 1.00 0.00 O ATOM 238 CB ILE A 29 -19.407 6.319 -9.278 1.00 0.00 C ATOM 239 CG1 ILE A 29 -20.089 7.599 -8.793 1.00 0.00 C ATOM 240 CG2 ILE A 29 -18.076 6.148 -8.523 1.00 0.00 C ATOM 241 CD1 ILE A 29 -19.080 8.749 -8.809 1.00 0.00 C ATOM 0 H ILE A 29 -20.257 4.624 -11.259 1.00 0.00 H new ATOM 0 HA ILE A 29 -19.246 7.461 -11.099 1.00 0.00 H new ATOM 0 HB ILE A 29 -20.029 5.447 -9.078 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -20.938 7.837 -9.433 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -20.479 7.457 -7.785 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -18.270 6.086 -7.452 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -17.583 5.235 -8.856 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.431 7.003 -8.725 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -19.564 9.663 -8.464 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -18.245 8.510 -8.151 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -18.711 8.895 -9.824 1.00 0.00 H new ATOM 242 N GLN A 30 -17.004 6.678 -11.827 1.00 0.00 N ATOM 243 CA GLN A 30 -15.649 6.207 -12.217 1.00 0.00 C ATOM 244 C GLN A 30 -14.708 6.401 -11.029 1.00 0.00 C ATOM 245 O GLN A 30 -14.295 7.503 -10.725 1.00 0.00 O ATOM 246 CB GLN A 30 -15.146 7.014 -13.414 1.00 0.00 C ATOM 247 CG GLN A 30 -16.035 6.731 -14.626 1.00 0.00 C ATOM 248 CD GLN A 30 -15.474 7.454 -15.852 1.00 0.00 C ATOM 249 OE1 GLN A 30 -14.683 8.367 -15.725 1.00 0.00 O ATOM 250 NE2 GLN A 30 -15.854 7.081 -17.043 1.00 0.00 N ATOM 0 H GLN A 30 -17.225 7.639 -12.089 1.00 0.00 H new ATOM 0 HA GLN A 30 -15.685 5.154 -12.495 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -15.159 8.079 -13.180 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -14.113 6.749 -13.637 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -16.082 5.658 -14.813 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -17.054 7.065 -14.429 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -16.518 6.314 -17.150 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -15.487 7.556 -17.868 1.00 0.00 H new ATOM 251 N SER A 31 -14.388 5.344 -10.340 1.00 0.00 N ATOM 252 CA SER A 31 -13.497 5.474 -9.154 1.00 0.00 C ATOM 253 C SER A 31 -12.035 5.577 -9.587 1.00 0.00 C ATOM 254 O SER A 31 -11.727 5.819 -10.737 1.00 0.00 O ATOM 255 CB SER A 31 -13.670 4.252 -8.258 1.00 0.00 C ATOM 256 OG SER A 31 -12.645 3.310 -8.539 1.00 0.00 O ATOM 0 H SER A 31 -14.704 4.396 -10.545 1.00 0.00 H new ATOM 0 HA SER A 31 -13.767 6.380 -8.611 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.629 4.548 -7.210 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.648 3.801 -8.424 1.00 0.00 H new ATOM 0 HG SER A 31 -12.892 2.783 -9.328 1.00 0.00 H new ATOM 257 N LEU A 32 -11.134 5.420 -8.656 1.00 0.00 N ATOM 258 CA LEU A 32 -9.686 5.536 -8.982 1.00 0.00 C ATOM 259 C LEU A 32 -8.992 4.182 -8.800 1.00 0.00 C ATOM 260 O LEU A 32 -7.884 3.981 -9.255 1.00 0.00 O ATOM 261 CB LEU A 32 -9.037 6.554 -8.038 1.00 0.00 C ATOM 262 CG LEU A 32 -9.774 7.897 -8.116 1.00 0.00 C ATOM 263 CD1 LEU A 32 -11.169 7.771 -7.498 1.00 0.00 C ATOM 264 CD2 LEU A 32 -8.983 8.948 -7.336 1.00 0.00 C ATOM 0 H LEU A 32 -11.341 5.215 -7.678 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.581 5.859 -10.018 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.060 6.178 -7.015 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.989 6.691 -8.304 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.868 8.190 -9.162 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.682 8.731 -7.559 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.741 7.018 -8.041 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.079 7.474 -6.453 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.501 9.906 -7.387 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.895 8.638 -6.295 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.988 9.050 -7.769 1.00 0.00 H new ATOM 265 N ASP A 33 -9.623 3.257 -8.130 1.00 0.00 N ATOM 266 CA ASP A 33 -8.982 1.926 -7.917 1.00 0.00 C ATOM 267 C ASP A 33 -9.104 1.078 -9.186 1.00 0.00 C ATOM 268 O ASP A 33 -8.762 -0.088 -9.198 1.00 0.00 O ATOM 269 CB ASP A 33 -9.674 1.206 -6.758 1.00 0.00 C ATOM 270 CG ASP A 33 -8.910 -0.077 -6.424 1.00 0.00 C ATOM 271 OD1 ASP A 33 -7.751 -0.166 -6.794 1.00 0.00 O ATOM 272 OD2 ASP A 33 -9.498 -0.948 -5.804 1.00 0.00 O ATOM 0 H ASP A 33 -10.552 3.363 -7.722 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.928 2.072 -7.682 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.714 1.856 -5.884 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.704 0.969 -7.026 1.00 0.00 H new ATOM 273 N GLY A 34 -9.591 1.647 -10.254 1.00 0.00 N ATOM 274 CA GLY A 34 -9.736 0.863 -11.512 1.00 0.00 C ATOM 275 C GLY A 34 -11.104 0.183 -11.519 1.00 0.00 C ATOM 276 O GLY A 34 -11.361 -0.712 -12.299 1.00 0.00 O ATOM 0 H GLY A 34 -9.894 2.619 -10.310 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.637 1.518 -12.377 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.944 0.117 -11.584 1.00 0.00 H new ATOM 277 N ILE A 35 -11.986 0.605 -10.654 1.00 0.00 N ATOM 278 CA ILE A 35 -13.340 -0.014 -10.608 1.00 0.00 C ATOM 279 C ILE A 35 -14.395 1.058 -10.879 1.00 0.00 C ATOM 280 O ILE A 35 -14.124 2.240 -10.816 1.00 0.00 O ATOM 281 CB ILE A 35 -13.580 -0.623 -9.224 1.00 0.00 C ATOM 282 CG1 ILE A 35 -12.326 -1.372 -8.768 1.00 0.00 C ATOM 283 CG2 ILE A 35 -14.757 -1.597 -9.294 1.00 0.00 C ATOM 284 CD1 ILE A 35 -12.497 -1.812 -7.312 1.00 0.00 C ATOM 0 H ILE A 35 -11.827 1.352 -9.978 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.407 -0.796 -11.364 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.805 0.172 -8.513 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -12.156 -2.241 -9.404 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.450 -0.730 -8.865 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.929 -2.031 -8.309 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -15.651 -1.064 -9.617 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -14.531 -2.391 -10.006 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.604 -2.346 -6.986 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.646 -0.935 -6.682 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -13.363 -2.469 -7.230 1.00 0.00 H new ATOM 285 N MET A 36 -15.599 0.655 -11.179 1.00 0.00 N ATOM 286 CA MET A 36 -16.668 1.654 -11.451 1.00 0.00 C ATOM 287 C MET A 36 -17.601 1.744 -10.241 1.00 0.00 C ATOM 288 O MET A 36 -18.418 0.875 -10.016 1.00 0.00 O ATOM 289 CB MET A 36 -17.471 1.225 -12.680 1.00 0.00 C ATOM 290 CG MET A 36 -16.591 1.326 -13.928 1.00 0.00 C ATOM 291 SD MET A 36 -17.602 1.039 -15.401 1.00 0.00 S ATOM 292 CE MET A 36 -17.944 -0.713 -15.100 1.00 0.00 C ATOM 0 H MET A 36 -15.887 -0.321 -11.247 1.00 0.00 H new ATOM 0 HA MET A 36 -16.214 2.628 -11.636 1.00 0.00 H new ATOM 0 HB2 MET A 36 -17.827 0.202 -12.556 1.00 0.00 H new ATOM 0 HB3 MET A 36 -18.351 1.858 -12.791 1.00 0.00 H new ATOM 0 HG2 MET A 36 -16.125 2.310 -13.979 1.00 0.00 H new ATOM 0 HG3 MET A 36 -15.785 0.594 -13.878 1.00 0.00 H new ATOM 0 HE1 MET A 36 -17.560 -1.306 -15.930 1.00 0.00 H new ATOM 0 HE2 MET A 36 -17.459 -1.025 -14.175 1.00 0.00 H new ATOM 0 HE3 MET A 36 -19.020 -0.864 -15.014 1.00 0.00 H new ATOM 293 N PHE A 37 -17.485 2.790 -9.467 1.00 0.00 N ATOM 294 CA PHE A 37 -18.363 2.951 -8.271 1.00 0.00 C ATOM 295 C PHE A 37 -18.050 1.872 -7.235 1.00 0.00 C ATOM 296 O PHE A 37 -17.714 2.169 -6.106 1.00 0.00 O ATOM 297 CB PHE A 37 -19.830 2.846 -8.692 1.00 0.00 C ATOM 298 CG PHE A 37 -20.709 2.921 -7.465 1.00 0.00 C ATOM 299 CD1 PHE A 37 -21.093 4.166 -6.952 1.00 0.00 C ATOM 300 CD2 PHE A 37 -21.139 1.744 -6.841 1.00 0.00 C ATOM 301 CE1 PHE A 37 -21.906 4.234 -5.816 1.00 0.00 C ATOM 302 CE2 PHE A 37 -21.953 1.813 -5.703 1.00 0.00 C ATOM 303 CZ PHE A 37 -22.336 3.057 -5.192 1.00 0.00 C ATOM 0 H PHE A 37 -16.815 3.545 -9.613 1.00 0.00 H new ATOM 0 HA PHE A 37 -18.179 3.930 -7.829 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -20.081 3.651 -9.383 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -20.002 1.908 -9.220 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -20.761 5.074 -7.434 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -20.843 0.784 -7.237 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -22.202 5.194 -5.420 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -22.285 0.906 -5.220 1.00 0.00 H new ATOM 0 HZ PHE A 37 -22.964 3.110 -4.315 1.00 0.00 H new ATOM 304 N ILE A 38 -18.164 0.627 -7.608 1.00 0.00 N ATOM 305 CA ILE A 38 -17.877 -0.478 -6.646 1.00 0.00 C ATOM 306 C ILE A 38 -16.652 -0.114 -5.802 1.00 0.00 C ATOM 307 O ILE A 38 -16.517 -0.535 -4.671 1.00 0.00 O ATOM 308 CB ILE A 38 -17.599 -1.768 -7.418 1.00 0.00 C ATOM 309 CG1 ILE A 38 -18.843 -2.167 -8.213 1.00 0.00 C ATOM 310 CG2 ILE A 38 -17.242 -2.885 -6.434 1.00 0.00 C ATOM 311 CD1 ILE A 38 -20.069 -2.124 -7.298 1.00 0.00 C ATOM 0 H ILE A 38 -18.445 0.325 -8.541 1.00 0.00 H new ATOM 0 HA ILE A 38 -18.738 -0.624 -5.994 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.767 -1.608 -8.104 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -18.981 -1.490 -9.056 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -18.719 -3.168 -8.625 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -17.044 -3.805 -6.984 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -16.354 -2.602 -5.869 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -18.074 -3.045 -5.748 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -20.956 -2.408 -7.864 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -19.929 -2.819 -6.470 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -20.196 -1.114 -6.907 1.00 0.00 H new ATOM 312 N ASN A 39 -15.762 0.672 -6.344 1.00 0.00 N ATOM 313 CA ASN A 39 -14.553 1.071 -5.572 1.00 0.00 C ATOM 314 C ASN A 39 -14.979 1.771 -4.284 1.00 0.00 C ATOM 315 O ASN A 39 -14.449 1.512 -3.226 1.00 0.00 O ATOM 316 CB ASN A 39 -13.709 2.036 -6.402 1.00 0.00 C ATOM 317 CG ASN A 39 -12.303 2.132 -5.804 1.00 0.00 C ATOM 318 OD1 ASN A 39 -11.794 1.169 -5.264 1.00 0.00 O ATOM 319 ND2 ASN A 39 -11.646 3.260 -5.879 1.00 0.00 N ATOM 0 H ASN A 39 -15.821 1.055 -7.288 1.00 0.00 H new ATOM 0 HA ASN A 39 -13.970 0.181 -5.336 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.653 1.691 -7.434 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.176 3.021 -6.420 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.708 3.331 -5.485 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.072 4.069 -6.332 1.00 0.00 H new ATOM 320 N LYS A 40 -15.925 2.668 -4.364 1.00 0.00 N ATOM 321 CA LYS A 40 -16.370 3.388 -3.139 1.00 0.00 C ATOM 322 C LYS A 40 -16.510 2.393 -1.989 1.00 0.00 C ATOM 323 O LYS A 40 -16.054 2.629 -0.888 1.00 0.00 O ATOM 324 CB LYS A 40 -17.718 4.067 -3.393 1.00 0.00 C ATOM 325 CG LYS A 40 -17.570 5.101 -4.511 1.00 0.00 C ATOM 326 CD LYS A 40 -18.946 5.671 -4.861 1.00 0.00 C ATOM 327 CE LYS A 40 -19.482 6.473 -3.674 1.00 0.00 C ATOM 328 NZ LYS A 40 -20.920 6.145 -3.460 1.00 0.00 N ATOM 0 H LYS A 40 -16.407 2.932 -5.223 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.631 4.147 -2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.465 3.323 -3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.071 4.550 -2.482 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.902 5.902 -4.194 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.121 4.640 -5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -18.874 6.309 -5.742 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.634 4.863 -5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -18.908 6.242 -2.777 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.366 7.541 -3.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -21.503 6.975 -3.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -21.190 5.352 -4.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -21.071 5.879 -2.466 1.00 0.00 H new ATOM 329 N CYS A 41 -17.135 1.282 -2.239 1.00 0.00 N ATOM 330 CA CYS A 41 -17.307 0.262 -1.170 1.00 0.00 C ATOM 331 C CYS A 41 -15.984 -0.471 -0.952 1.00 0.00 C ATOM 332 O CYS A 41 -15.644 -0.851 0.151 1.00 0.00 O ATOM 333 CB CYS A 41 -18.372 -0.744 -1.602 1.00 0.00 C ATOM 334 SG CYS A 41 -19.311 -1.298 -0.158 1.00 0.00 S ATOM 0 H CYS A 41 -17.537 1.033 -3.143 1.00 0.00 H new ATOM 0 HA CYS A 41 -17.613 0.750 -0.245 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -19.042 -0.288 -2.330 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -17.902 -1.597 -2.092 1.00 0.00 H new ATOM 335 N ALA A 42 -15.242 -0.682 -2.002 1.00 0.00 N ATOM 336 CA ALA A 42 -13.943 -1.401 -1.869 1.00 0.00 C ATOM 337 C ALA A 42 -12.884 -0.468 -1.277 1.00 0.00 C ATOM 338 O ALA A 42 -11.892 -0.913 -0.733 1.00 0.00 O ATOM 339 CB ALA A 42 -13.484 -1.875 -3.249 1.00 0.00 C ATOM 0 H ALA A 42 -15.479 -0.387 -2.949 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.075 -2.257 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.534 -2.401 -3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.232 -2.547 -3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.359 -1.014 -3.906 1.00 0.00 H new ATOM 340 N THR A 43 -13.076 0.819 -1.376 1.00 0.00 N ATOM 341 CA THR A 43 -12.069 1.760 -0.815 1.00 0.00 C ATOM 342 C THR A 43 -12.573 2.302 0.519 1.00 0.00 C ATOM 343 O THR A 43 -11.864 2.310 1.505 1.00 0.00 O ATOM 344 CB THR A 43 -11.854 2.920 -1.790 1.00 0.00 C ATOM 345 OG1 THR A 43 -12.364 2.565 -3.067 1.00 0.00 O ATOM 346 CG2 THR A 43 -10.359 3.226 -1.902 1.00 0.00 C ATOM 0 H THR A 43 -13.883 1.257 -1.819 1.00 0.00 H new ATOM 0 HA THR A 43 -11.125 1.236 -0.663 1.00 0.00 H new ATOM 0 HB THR A 43 -12.376 3.804 -1.423 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.343 2.594 -3.048 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.208 4.052 -2.597 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.969 3.500 -0.922 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.833 2.344 -2.268 1.00 0.00 H new ATOM 347 N CYS A 44 -13.794 2.758 0.557 1.00 0.00 N ATOM 348 CA CYS A 44 -14.345 3.305 1.825 1.00 0.00 C ATOM 349 C CYS A 44 -14.316 2.227 2.908 1.00 0.00 C ATOM 350 O CYS A 44 -14.144 2.515 4.076 1.00 0.00 O ATOM 351 CB CYS A 44 -15.783 3.767 1.596 1.00 0.00 C ATOM 352 SG CYS A 44 -15.775 5.189 0.478 1.00 0.00 S ATOM 0 H CYS A 44 -14.434 2.775 -0.237 1.00 0.00 H new ATOM 0 HA CYS A 44 -13.739 4.152 2.148 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -16.375 2.957 1.170 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -16.247 4.037 2.545 1.00 0.00 H new ATOM 353 N LYS A 45 -14.477 0.986 2.537 1.00 0.00 N ATOM 354 CA LYS A 45 -14.448 -0.094 3.562 1.00 0.00 C ATOM 355 C LYS A 45 -13.235 0.117 4.466 1.00 0.00 C ATOM 356 O LYS A 45 -13.329 0.051 5.676 1.00 0.00 O ATOM 357 CB LYS A 45 -14.348 -1.456 2.873 1.00 0.00 C ATOM 358 CG LYS A 45 -14.653 -2.562 3.885 1.00 0.00 C ATOM 359 CD LYS A 45 -14.671 -3.915 3.171 1.00 0.00 C ATOM 360 CE LYS A 45 -14.984 -5.021 4.180 1.00 0.00 C ATOM 361 NZ LYS A 45 -15.929 -5.999 3.569 1.00 0.00 N ATOM 0 H LYS A 45 -14.626 0.676 1.577 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.361 -0.065 4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.049 -1.507 2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.350 -1.593 2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.901 -2.565 4.674 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.615 -2.378 4.362 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.419 -3.910 2.378 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.707 -4.102 2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.065 -5.525 4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.421 -4.592 5.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.142 -6.751 4.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.809 -5.512 3.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.496 -6.417 2.721 1.00 0.00 H new ATOM 362 N MET A 46 -12.098 0.385 3.887 1.00 0.00 N ATOM 363 CA MET A 46 -10.881 0.618 4.711 1.00 0.00 C ATOM 364 C MET A 46 -10.949 2.027 5.298 1.00 0.00 C ATOM 365 O MET A 46 -10.341 2.323 6.307 1.00 0.00 O ATOM 366 CB MET A 46 -9.635 0.487 3.833 1.00 0.00 C ATOM 367 CG MET A 46 -9.603 -0.904 3.198 1.00 0.00 C ATOM 368 SD MET A 46 -8.077 -1.097 2.244 1.00 0.00 S ATOM 369 CE MET A 46 -8.428 0.168 0.999 1.00 0.00 C ATOM 0 H MET A 46 -11.960 0.453 2.879 1.00 0.00 H new ATOM 0 HA MET A 46 -10.829 -0.117 5.514 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.642 1.253 3.057 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.737 0.646 4.431 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.660 -1.670 3.971 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.469 -1.040 2.550 1.00 0.00 H new ATOM 0 HE1 MET A 46 -7.921 -0.087 0.069 1.00 0.00 H new ATOM 0 HE2 MET A 46 -9.503 0.218 0.824 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.072 1.136 1.353 1.00 0.00 H new ATOM 370 N ILE A 47 -11.696 2.897 4.673 1.00 0.00 N ATOM 371 CA ILE A 47 -11.819 4.287 5.191 1.00 0.00 C ATOM 372 C ILE A 47 -12.764 4.290 6.394 1.00 0.00 C ATOM 373 O ILE A 47 -12.630 5.092 7.297 1.00 0.00 O ATOM 374 CB ILE A 47 -12.383 5.195 4.092 1.00 0.00 C ATOM 375 CG1 ILE A 47 -11.469 5.143 2.866 1.00 0.00 C ATOM 376 CG2 ILE A 47 -12.463 6.634 4.605 1.00 0.00 C ATOM 377 CD1 ILE A 47 -10.015 5.327 3.304 1.00 0.00 C ATOM 0 H ILE A 47 -12.227 2.703 3.824 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.839 4.656 5.493 1.00 0.00 H new ATOM 0 HB ILE A 47 -13.380 4.851 3.818 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.587 4.189 2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.748 5.923 2.158 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.864 7.278 3.822 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.116 6.674 5.477 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.466 6.978 4.882 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.364 5.290 2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.903 6.292 3.799 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.740 4.531 3.995 1.00 0.00 H new ATOM 378 N LEU A 48 -13.716 3.395 6.418 1.00 0.00 N ATOM 379 CA LEU A 48 -14.660 3.348 7.569 1.00 0.00 C ATOM 380 C LEU A 48 -13.975 2.663 8.751 1.00 0.00 C ATOM 381 O LEU A 48 -14.272 2.936 9.898 1.00 0.00 O ATOM 382 CB LEU A 48 -15.913 2.560 7.178 1.00 0.00 C ATOM 383 CG LEU A 48 -16.647 3.286 6.046 1.00 0.00 C ATOM 384 CD1 LEU A 48 -18.055 2.706 5.896 1.00 0.00 C ATOM 385 CD2 LEU A 48 -16.746 4.779 6.371 1.00 0.00 C ATOM 0 H LEU A 48 -13.879 2.697 5.692 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.947 4.362 7.846 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.637 1.555 6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.571 2.452 8.041 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.095 3.153 5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.577 3.222 5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -17.988 1.643 5.662 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -18.604 2.838 6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -17.268 5.293 5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.296 4.913 7.303 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -15.744 5.195 6.478 1.00 0.00 H new ATOM 386 N GLU A 49 -13.055 1.777 8.482 1.00 0.00 N ATOM 387 CA GLU A 49 -12.347 1.077 9.589 1.00 0.00 C ATOM 388 C GLU A 49 -11.515 2.092 10.376 1.00 0.00 C ATOM 389 O GLU A 49 -11.398 2.012 11.582 1.00 0.00 O ATOM 390 CB GLU A 49 -11.426 0.003 9.008 1.00 0.00 C ATOM 391 CG GLU A 49 -12.271 -1.130 8.422 1.00 0.00 C ATOM 392 CD GLU A 49 -11.350 -2.203 7.838 1.00 0.00 C ATOM 393 OE1 GLU A 49 -10.149 -1.991 7.842 1.00 0.00 O ATOM 394 OE2 GLU A 49 -11.862 -3.219 7.396 1.00 0.00 O ATOM 0 H GLU A 49 -12.764 1.508 7.542 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.075 0.608 10.251 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.790 0.434 8.235 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.767 -0.385 9.784 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.906 -1.562 9.195 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.932 -0.742 7.647 1.00 0.00 H new ATOM 395 N LYS A 50 -10.937 3.048 9.702 1.00 0.00 N ATOM 396 CA LYS A 50 -10.115 4.069 10.411 1.00 0.00 C ATOM 397 C LYS A 50 -10.980 4.768 11.461 1.00 0.00 C ATOM 398 O LYS A 50 -10.515 5.125 12.525 1.00 0.00 O ATOM 399 CB LYS A 50 -9.599 5.100 9.405 1.00 0.00 C ATOM 400 CG LYS A 50 -8.650 4.420 8.417 1.00 0.00 C ATOM 401 CD LYS A 50 -8.046 5.471 7.484 1.00 0.00 C ATOM 402 CE LYS A 50 -7.180 4.781 6.430 1.00 0.00 C ATOM 403 NZ LYS A 50 -5.748 4.854 6.837 1.00 0.00 N ATOM 0 H LYS A 50 -10.998 3.166 8.691 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.268 3.585 10.896 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.435 5.552 8.870 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.082 5.905 9.927 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.859 3.899 8.956 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.188 3.670 7.837 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.839 6.042 7.001 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.446 6.179 8.056 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.485 3.740 6.318 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.318 5.259 5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.159 4.385 6.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.462 5.850 6.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.623 4.378 7.753 1.00 0.00 H new ATOM 404 N GLU A 51 -12.237 4.966 11.170 1.00 0.00 N ATOM 405 CA GLU A 51 -13.133 5.638 12.152 1.00 0.00 C ATOM 406 C GLU A 51 -13.191 4.809 13.435 1.00 0.00 C ATOM 407 O GLU A 51 -13.322 5.336 14.522 1.00 0.00 O ATOM 408 CB GLU A 51 -14.538 5.760 11.558 1.00 0.00 C ATOM 409 CG GLU A 51 -15.428 6.559 12.513 1.00 0.00 C ATOM 410 CD GLU A 51 -14.985 8.024 12.516 1.00 0.00 C ATOM 411 OE1 GLU A 51 -14.397 8.446 11.535 1.00 0.00 O ATOM 412 OE2 GLU A 51 -15.242 8.697 13.501 1.00 0.00 O ATOM 0 H GLU A 51 -12.682 4.691 10.294 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.747 6.632 12.378 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.492 6.254 10.587 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.962 4.769 11.392 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -16.471 6.484 12.204 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.363 6.146 13.520 1.00 0.00 H new ATOM 413 N ALA A 52 -13.092 3.513 13.319 1.00 0.00 N ATOM 414 CA ALA A 52 -13.138 2.650 14.532 1.00 0.00 C ATOM 415 C ALA A 52 -11.950 2.981 15.436 1.00 0.00 C ATOM 416 O ALA A 52 -12.014 2.838 16.641 1.00 0.00 O ATOM 417 CB ALA A 52 -13.069 1.179 14.116 1.00 0.00 C ATOM 0 H ALA A 52 -12.981 3.015 12.436 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.068 2.830 15.072 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.103 0.548 15.004 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.915 0.943 13.471 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.140 0.997 13.576 1.00 0.00 H new ATOM 418 N LYS A 53 -10.865 3.425 14.864 1.00 0.00 N ATOM 419 CA LYS A 53 -9.673 3.768 15.690 1.00 0.00 C ATOM 420 C LYS A 53 -10.037 4.889 16.664 1.00 0.00 C ATOM 421 O LYS A 53 -9.575 4.923 17.788 1.00 0.00 O ATOM 422 CB LYS A 53 -8.537 4.234 14.776 1.00 0.00 C ATOM 423 CG LYS A 53 -8.094 3.076 13.881 1.00 0.00 C ATOM 424 CD LYS A 53 -6.880 3.505 13.053 1.00 0.00 C ATOM 425 CE LYS A 53 -6.528 2.402 12.054 1.00 0.00 C ATOM 426 NZ LYS A 53 -5.995 1.220 12.787 1.00 0.00 N ATOM 0 H LYS A 53 -10.752 3.565 13.860 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.351 2.890 16.250 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.869 5.073 14.165 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.697 4.587 15.374 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.843 2.207 14.490 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.910 2.779 13.222 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.097 4.433 12.524 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.031 3.702 13.708 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.411 2.120 11.481 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.788 2.765 11.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.569 0.555 12.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.273 1.531 13.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.770 0.748 13.295 1.00 0.00 H new