USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=18 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 39 HIS : no HD1:sc= -5.89 K(o=-6.4,f=-8.7!) USER MOD Set 1.2: A 74 TYR OH : rot 25:sc= -0.52 USER MOD Set 2.1: A 26 HIS : no HE2:sc= -7.32 X(o=-7.6,f=-7.2!) USER MOD Set 2.2: A 30 TYR OH : rot 28:sc= -0.315 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 0:sc= -2.16 USER MOD Single : A 8 THR OG1 : rot -18:sc= -0.236 USER MOD Single : A 13 GLN : amide:sc= -0.515 K(o=-0.51,f=-1.6) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-0.69) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.00524 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= -2.09 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 27 HIS : no HD1:sc= -1.48 X(o=-1.5,f=-1.3) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -87:sc= 0.217 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -5.4! C(o=-5.4!,f=-5.2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 57 ASN : amide:sc= -2.29 K(o=-2.3,f=-0.47) USER MOD Single : A 63 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.18) USER MOD Single : A 64 SER OG : rot 39:sc= 0.783 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 51:sc= 0.277 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0416 USER MOD Single : A 80 HIS : no HD1:sc= -6.16 K(o=-6.2,f=-16!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -3.805 -1.927 33.421 1.00 0.00 N ATOM 2 CA ASP A 1 -4.574 -3.016 34.086 1.00 0.00 C ATOM 3 C ASP A 1 -4.925 -2.594 35.515 1.00 0.00 C ATOM 4 O ASP A 1 -6.079 -2.557 35.895 1.00 0.00 O ATOM 5 CB ASP A 1 -3.728 -4.291 34.123 1.00 0.00 C ATOM 6 CG ASP A 1 -4.573 -5.451 34.652 1.00 0.00 C ATOM 7 OD1 ASP A 1 -5.384 -5.958 33.895 1.00 0.00 O ATOM 8 OD2 ASP A 1 -4.394 -5.812 35.802 1.00 0.00 O ATOM 0 H1 ASP A 1 -3.566 -2.213 32.450 1.00 0.00 H new ATOM 0 H2 ASP A 1 -4.381 -1.061 33.395 1.00 0.00 H new ATOM 0 H3 ASP A 1 -2.930 -1.745 33.953 1.00 0.00 H new ATOM 0 HA ASP A 1 -5.491 -3.206 33.528 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -3.358 -4.523 33.124 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -2.856 -4.143 34.760 1.00 0.00 H new ATOM 9 N LYS A 2 -3.931 -2.279 36.310 1.00 0.00 N ATOM 10 CA LYS A 2 -4.191 -1.856 37.722 1.00 0.00 C ATOM 11 C LYS A 2 -4.904 -2.984 38.474 1.00 0.00 C ATOM 12 O LYS A 2 -5.393 -3.925 37.879 1.00 0.00 O ATOM 13 CB LYS A 2 -5.068 -0.601 37.731 1.00 0.00 C ATOM 14 CG LYS A 2 -4.880 0.143 39.056 1.00 0.00 C ATOM 15 CD LYS A 2 -5.001 1.649 38.815 1.00 0.00 C ATOM 16 CE LYS A 2 -6.466 2.012 38.573 1.00 0.00 C ATOM 17 NZ LYS A 2 -6.542 3.186 37.657 1.00 0.00 N ATOM 0 H LYS A 2 -2.947 -2.297 36.041 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.242 -1.637 38.212 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.802 0.048 36.896 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -6.115 -0.875 37.601 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -5.629 -0.182 39.778 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.904 -0.091 39.482 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.617 2.197 39.675 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.397 1.940 37.956 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -6.995 1.164 38.139 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -6.956 2.243 39.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -7.539 3.434 37.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -6.051 3.995 38.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -6.089 2.949 36.751 1.00 0.00 H new ATOM 18 N ASP A 3 -4.965 -2.891 39.779 1.00 0.00 N ATOM 19 CA ASP A 3 -5.643 -3.952 40.582 1.00 0.00 C ATOM 20 C ASP A 3 -7.123 -4.033 40.185 1.00 0.00 C ATOM 21 O ASP A 3 -7.874 -3.094 40.365 1.00 0.00 O ATOM 22 CB ASP A 3 -5.524 -3.621 42.078 1.00 0.00 C ATOM 23 CG ASP A 3 -6.184 -2.269 42.384 1.00 0.00 C ATOM 24 OD1 ASP A 3 -6.294 -1.460 41.477 1.00 0.00 O ATOM 25 OD2 ASP A 3 -6.567 -2.067 43.524 1.00 0.00 O ATOM 0 H ASP A 3 -4.573 -2.123 40.324 1.00 0.00 H new ATOM 0 HA ASP A 3 -5.166 -4.913 40.387 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.997 -4.405 42.669 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.474 -3.593 42.368 1.00 0.00 H new ATOM 26 N VAL A 4 -7.538 -5.151 39.643 1.00 0.00 N ATOM 27 CA VAL A 4 -8.963 -5.305 39.231 1.00 0.00 C ATOM 28 C VAL A 4 -9.838 -5.461 40.483 1.00 0.00 C ATOM 29 O VAL A 4 -9.820 -6.484 41.142 1.00 0.00 O ATOM 30 CB VAL A 4 -9.091 -6.538 38.307 1.00 0.00 C ATOM 31 CG1 VAL A 4 -10.558 -6.969 38.154 1.00 0.00 C ATOM 32 CG2 VAL A 4 -8.548 -6.181 36.924 1.00 0.00 C ATOM 0 H VAL A 4 -6.948 -5.965 39.469 1.00 0.00 H new ATOM 0 HA VAL A 4 -9.298 -4.424 38.684 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.527 -7.358 38.752 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.615 -7.838 37.499 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.966 -7.224 39.132 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -11.135 -6.151 37.723 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.634 -7.045 36.265 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -9.121 -5.351 36.511 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -7.500 -5.892 37.008 1.00 0.00 H new ATOM 33 N LYS A 5 -10.616 -4.458 40.791 1.00 0.00 N ATOM 34 CA LYS A 5 -11.518 -4.534 41.975 1.00 0.00 C ATOM 35 C LYS A 5 -12.950 -4.711 41.475 1.00 0.00 C ATOM 36 O LYS A 5 -13.486 -3.852 40.800 1.00 0.00 O ATOM 37 CB LYS A 5 -11.412 -3.243 42.789 1.00 0.00 C ATOM 38 CG LYS A 5 -12.127 -3.422 44.129 1.00 0.00 C ATOM 39 CD LYS A 5 -11.406 -2.610 45.206 1.00 0.00 C ATOM 40 CE LYS A 5 -12.065 -1.235 45.336 1.00 0.00 C ATOM 41 NZ LYS A 5 -11.920 -0.745 46.735 1.00 0.00 N ATOM 0 H LYS A 5 -10.665 -3.583 40.269 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.234 -5.373 42.610 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.365 -2.991 42.955 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.856 -2.415 42.236 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.164 -3.096 44.046 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.146 -4.476 44.405 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.446 -3.136 46.160 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.353 -2.497 44.948 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.603 -0.532 44.643 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.120 -1.299 45.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.368 0.189 46.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.380 -1.413 47.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.911 -0.669 46.973 1.00 0.00 H new ATOM 42 N TYR A 6 -13.570 -5.822 41.783 1.00 0.00 N ATOM 43 CA TYR A 6 -14.964 -6.056 41.303 1.00 0.00 C ATOM 44 C TYR A 6 -15.943 -5.280 42.177 1.00 0.00 C ATOM 45 O TYR A 6 -15.746 -5.127 43.368 1.00 0.00 O ATOM 46 CB TYR A 6 -15.294 -7.548 41.368 1.00 0.00 C ATOM 47 CG TYR A 6 -14.219 -8.334 40.650 1.00 0.00 C ATOM 48 CD1 TYR A 6 -14.146 -8.308 39.252 1.00 0.00 C ATOM 49 CD2 TYR A 6 -13.292 -9.088 41.383 1.00 0.00 C ATOM 50 CE1 TYR A 6 -13.149 -9.032 38.588 1.00 0.00 C ATOM 51 CE2 TYR A 6 -12.296 -9.812 40.717 1.00 0.00 C ATOM 52 CZ TYR A 6 -12.224 -9.784 39.320 1.00 0.00 C ATOM 53 OH TYR A 6 -11.242 -10.498 38.665 1.00 0.00 O ATOM 0 H TYR A 6 -13.172 -6.575 42.345 1.00 0.00 H new ATOM 0 HA TYR A 6 -15.048 -5.715 40.271 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -15.363 -7.871 42.407 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -16.265 -7.737 40.910 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -14.860 -7.729 38.685 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.346 -9.110 42.461 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -13.094 -9.010 37.510 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -11.582 -10.393 41.282 1.00 0.00 H new ATOM 0 HH TYR A 6 -10.683 -10.964 39.322 1.00 0.00 H new ATOM 54 N TYR A 7 -16.997 -4.779 41.586 1.00 0.00 N ATOM 55 CA TYR A 7 -18.000 -3.995 42.371 1.00 0.00 C ATOM 56 C TYR A 7 -19.392 -4.636 42.252 1.00 0.00 C ATOM 57 O TYR A 7 -20.381 -4.019 42.586 1.00 0.00 O ATOM 58 CB TYR A 7 -18.065 -2.557 41.838 1.00 0.00 C ATOM 59 CG TYR A 7 -16.665 -2.004 41.670 1.00 0.00 C ATOM 60 CD1 TYR A 7 -15.965 -1.509 42.778 1.00 0.00 C ATOM 61 CD2 TYR A 7 -16.066 -1.992 40.403 1.00 0.00 C ATOM 62 CE1 TYR A 7 -14.670 -1.003 42.618 1.00 0.00 C ATOM 63 CE2 TYR A 7 -14.772 -1.485 40.244 1.00 0.00 C ATOM 64 CZ TYR A 7 -14.073 -0.991 41.353 1.00 0.00 C ATOM 65 OH TYR A 7 -12.794 -0.493 41.198 1.00 0.00 O ATOM 0 H TYR A 7 -17.207 -4.878 40.593 1.00 0.00 H new ATOM 0 HA TYR A 7 -17.694 -3.990 43.417 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -18.590 -2.538 40.883 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -18.632 -1.930 42.526 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -16.425 -1.518 43.755 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -16.604 -2.375 39.548 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -14.131 -0.621 43.472 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -14.312 -1.474 39.267 1.00 0.00 H new ATOM 0 HH TYR A 7 -12.453 -0.192 42.066 1.00 0.00 H new ATOM 66 N THR A 8 -19.471 -5.862 41.785 1.00 0.00 N ATOM 67 CA THR A 8 -20.795 -6.555 41.644 1.00 0.00 C ATOM 68 C THR A 8 -21.678 -5.804 40.638 1.00 0.00 C ATOM 69 O THR A 8 -21.822 -4.597 40.696 1.00 0.00 O ATOM 70 CB THR A 8 -21.521 -6.657 43.003 1.00 0.00 C ATOM 71 OG1 THR A 8 -22.222 -5.451 43.278 1.00 0.00 O ATOM 72 CG2 THR A 8 -20.517 -6.932 44.129 1.00 0.00 C ATOM 0 H THR A 8 -18.667 -6.417 41.493 1.00 0.00 H new ATOM 0 HA THR A 8 -20.608 -7.565 41.280 1.00 0.00 H new ATOM 0 HB THR A 8 -22.231 -7.483 42.950 1.00 0.00 H new ATOM 0 HG1 THR A 8 -21.868 -4.731 42.715 1.00 0.00 H new ATOM 0 HG21 THR A 8 -21.046 -7.001 45.079 1.00 0.00 H new ATOM 0 HG22 THR A 8 -19.999 -7.871 43.933 1.00 0.00 H new ATOM 0 HG23 THR A 8 -19.791 -6.120 44.176 1.00 0.00 H new ATOM 73 N LEU A 9 -22.273 -6.519 39.718 1.00 0.00 N ATOM 74 CA LEU A 9 -23.152 -5.862 38.702 1.00 0.00 C ATOM 75 C LEU A 9 -24.345 -5.206 39.403 1.00 0.00 C ATOM 76 O LEU A 9 -24.902 -4.241 38.916 1.00 0.00 O ATOM 77 CB LEU A 9 -23.660 -6.905 37.698 1.00 0.00 C ATOM 78 CG LEU A 9 -24.211 -8.133 38.443 1.00 0.00 C ATOM 79 CD1 LEU A 9 -25.542 -8.563 37.816 1.00 0.00 C ATOM 80 CD2 LEU A 9 -23.207 -9.287 38.344 1.00 0.00 C ATOM 0 H LEU A 9 -22.188 -7.531 39.626 1.00 0.00 H new ATOM 0 HA LEU A 9 -22.578 -5.103 38.171 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -24.439 -6.470 37.073 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -22.850 -7.206 37.034 1.00 0.00 H new ATOM 0 HG LEU A 9 -24.369 -7.876 39.490 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -25.930 -9.433 38.346 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -26.259 -7.745 37.888 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -25.385 -8.817 36.768 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -23.599 -10.156 38.872 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -23.047 -9.541 37.296 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -22.261 -8.986 38.793 1.00 0.00 H new ATOM 81 N GLU A 10 -24.738 -5.721 40.542 1.00 0.00 N ATOM 82 CA GLU A 10 -25.893 -5.128 41.278 1.00 0.00 C ATOM 83 C GLU A 10 -25.520 -3.728 41.771 1.00 0.00 C ATOM 84 O GLU A 10 -26.358 -2.851 41.866 1.00 0.00 O ATOM 85 CB GLU A 10 -26.245 -6.013 42.476 1.00 0.00 C ATOM 86 CG GLU A 10 -26.938 -7.285 41.984 1.00 0.00 C ATOM 87 CD GLU A 10 -27.800 -7.865 43.109 1.00 0.00 C ATOM 88 OE1 GLU A 10 -27.243 -8.189 44.146 1.00 0.00 O ATOM 89 OE2 GLU A 10 -28.998 -7.975 42.914 1.00 0.00 O ATOM 0 H GLU A 10 -24.307 -6.528 40.993 1.00 0.00 H new ATOM 0 HA GLU A 10 -26.752 -5.062 40.611 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -25.342 -6.269 43.030 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -26.897 -5.473 43.162 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -27.557 -7.062 41.115 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -26.195 -8.017 41.666 1.00 0.00 H new ATOM 90 N GLU A 11 -24.267 -3.516 42.085 1.00 0.00 N ATOM 91 CA GLU A 11 -23.827 -2.177 42.572 1.00 0.00 C ATOM 92 C GLU A 11 -23.796 -1.190 41.403 1.00 0.00 C ATOM 93 O GLU A 11 -24.071 -0.016 41.564 1.00 0.00 O ATOM 94 CB GLU A 11 -22.428 -2.289 43.181 1.00 0.00 C ATOM 95 CG GLU A 11 -22.221 -1.164 44.198 1.00 0.00 C ATOM 96 CD GLU A 11 -21.324 -1.662 45.333 1.00 0.00 C ATOM 97 OE1 GLU A 11 -20.116 -1.593 45.181 1.00 0.00 O ATOM 98 OE2 GLU A 11 -21.862 -2.103 46.336 1.00 0.00 O ATOM 0 H GLU A 11 -23.528 -4.217 42.024 1.00 0.00 H new ATOM 0 HA GLU A 11 -24.526 -1.821 43.329 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -22.307 -3.258 43.665 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -21.673 -2.228 42.397 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -21.767 -0.300 43.713 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -23.182 -0.837 44.596 1.00 0.00 H new ATOM 99 N ILE A 12 -23.466 -1.662 40.226 1.00 0.00 N ATOM 100 CA ILE A 12 -23.417 -0.757 39.040 1.00 0.00 C ATOM 101 C ILE A 12 -24.830 -0.257 38.728 1.00 0.00 C ATOM 102 O ILE A 12 -25.067 0.931 38.618 1.00 0.00 O ATOM 103 CB ILE A 12 -22.865 -1.524 37.833 1.00 0.00 C ATOM 104 CG1 ILE A 12 -21.491 -2.104 38.183 1.00 0.00 C ATOM 105 CG2 ILE A 12 -22.721 -0.573 36.642 1.00 0.00 C ATOM 106 CD1 ILE A 12 -21.012 -3.003 37.042 1.00 0.00 C ATOM 0 H ILE A 12 -23.229 -2.636 40.037 1.00 0.00 H new ATOM 0 HA ILE A 12 -22.768 0.092 39.254 1.00 0.00 H new ATOM 0 HB ILE A 12 -23.550 -2.331 37.575 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -20.776 -1.298 38.350 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -21.551 -2.675 39.110 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -22.328 -1.120 35.785 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -23.696 -0.155 36.390 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -22.036 0.234 36.902 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -20.034 -3.416 37.290 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -21.723 -3.816 36.896 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -20.937 -2.418 36.125 1.00 0.00 H new ATOM 107 N GLN A 13 -25.770 -1.157 38.591 1.00 0.00 N ATOM 108 CA GLN A 13 -27.173 -0.747 38.290 1.00 0.00 C ATOM 109 C GLN A 13 -27.757 0.016 39.485 1.00 0.00 C ATOM 110 O GLN A 13 -28.663 0.814 39.337 1.00 0.00 O ATOM 111 CB GLN A 13 -28.021 -1.991 38.019 1.00 0.00 C ATOM 112 CG GLN A 13 -27.879 -2.395 36.550 1.00 0.00 C ATOM 113 CD GLN A 13 -26.551 -3.128 36.348 1.00 0.00 C ATOM 114 OE1 GLN A 13 -25.562 -2.526 35.981 1.00 0.00 O ATOM 115 NE2 GLN A 13 -26.487 -4.412 36.575 1.00 0.00 N ATOM 0 H GLN A 13 -25.624 -2.163 38.675 1.00 0.00 H new ATOM 0 HA GLN A 13 -27.178 -0.102 37.411 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -27.702 -2.809 38.665 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -29.066 -1.789 38.252 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -28.709 -3.037 36.257 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -27.919 -1.511 35.913 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -27.318 -4.917 36.883 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -25.606 -4.910 36.444 1.00 0.00 H new ATOM 116 N LYS A 14 -27.245 -0.225 40.670 1.00 0.00 N ATOM 117 CA LYS A 14 -27.766 0.482 41.880 1.00 0.00 C ATOM 118 C LYS A 14 -27.629 2.001 41.703 1.00 0.00 C ATOM 119 O LYS A 14 -28.342 2.769 42.323 1.00 0.00 O ATOM 120 CB LYS A 14 -26.966 0.030 43.112 1.00 0.00 C ATOM 121 CG LYS A 14 -27.924 -0.338 44.249 1.00 0.00 C ATOM 122 CD LYS A 14 -28.688 0.907 44.702 1.00 0.00 C ATOM 123 CE LYS A 14 -27.714 1.912 45.322 1.00 0.00 C ATOM 124 NZ LYS A 14 -28.450 2.808 46.255 1.00 0.00 N ATOM 0 H LYS A 14 -26.487 -0.883 40.849 1.00 0.00 H new ATOM 0 HA LYS A 14 -28.820 0.238 42.015 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -26.343 -0.828 42.858 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -26.295 0.827 43.433 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -28.623 -1.104 43.915 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -27.366 -0.759 45.086 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -29.201 1.359 43.854 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -29.453 0.632 45.428 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -26.923 1.385 45.855 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -27.234 2.500 44.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -27.788 3.490 46.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -29.190 3.320 45.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -28.888 2.240 47.009 1.00 0.00 H new ATOM 125 N HIS A 15 -26.722 2.439 40.862 1.00 0.00 N ATOM 126 CA HIS A 15 -26.543 3.905 40.649 1.00 0.00 C ATOM 127 C HIS A 15 -27.630 4.418 39.694 1.00 0.00 C ATOM 128 O HIS A 15 -28.621 4.977 40.120 1.00 0.00 O ATOM 129 CB HIS A 15 -25.157 4.170 40.050 1.00 0.00 C ATOM 130 CG HIS A 15 -24.110 4.032 41.120 1.00 0.00 C ATOM 131 ND1 HIS A 15 -22.978 4.829 41.152 1.00 0.00 N ATOM 132 CD2 HIS A 15 -24.008 3.193 42.203 1.00 0.00 C ATOM 133 CE1 HIS A 15 -22.249 4.458 42.221 1.00 0.00 C ATOM 134 NE2 HIS A 15 -22.833 3.464 42.897 1.00 0.00 N ATOM 0 H HIS A 15 -26.100 1.843 40.316 1.00 0.00 H new ATOM 0 HA HIS A 15 -26.626 4.426 41.603 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -24.959 3.467 39.241 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -25.121 5.171 39.619 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -24.730 2.438 42.475 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -21.307 4.908 42.498 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -22.491 3.003 43.740 1.00 0.00 H new ATOM 135 N LYS A 16 -27.451 4.230 38.407 1.00 0.00 N ATOM 136 CA LYS A 16 -28.472 4.702 37.421 1.00 0.00 C ATOM 137 C LYS A 16 -28.695 6.210 37.580 1.00 0.00 C ATOM 138 O LYS A 16 -29.763 6.718 37.293 1.00 0.00 O ATOM 139 CB LYS A 16 -29.790 3.964 37.662 1.00 0.00 C ATOM 140 CG LYS A 16 -29.803 2.665 36.854 1.00 0.00 C ATOM 141 CD LYS A 16 -31.232 2.357 36.405 1.00 0.00 C ATOM 142 CE LYS A 16 -31.216 1.197 35.407 1.00 0.00 C ATOM 143 NZ LYS A 16 -32.335 1.363 34.436 1.00 0.00 N ATOM 0 H LYS A 16 -26.639 3.768 37.998 1.00 0.00 H new ATOM 0 HA LYS A 16 -28.116 4.498 36.411 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -29.908 3.746 38.723 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -30.630 4.594 37.371 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -29.150 2.758 35.986 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -29.416 1.845 37.458 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -31.848 2.100 37.267 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -31.678 3.239 35.946 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -30.263 1.170 34.879 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -31.315 0.248 35.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -32.325 0.575 33.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -33.241 1.368 34.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -32.221 2.262 33.925 1.00 0.00 H new ATOM 144 N ASP A 17 -27.696 6.924 38.036 1.00 0.00 N ATOM 145 CA ASP A 17 -27.846 8.397 38.218 1.00 0.00 C ATOM 146 C ASP A 17 -27.000 9.129 37.173 1.00 0.00 C ATOM 147 O ASP A 17 -26.293 8.517 36.398 1.00 0.00 O ATOM 148 CB ASP A 17 -27.375 8.788 39.620 1.00 0.00 C ATOM 149 CG ASP A 17 -28.549 8.702 40.596 1.00 0.00 C ATOM 150 OD1 ASP A 17 -29.387 9.587 40.565 1.00 0.00 O ATOM 151 OD2 ASP A 17 -28.590 7.751 41.360 1.00 0.00 O ATOM 0 H ASP A 17 -26.782 6.548 38.290 1.00 0.00 H new ATOM 0 HA ASP A 17 -28.893 8.673 38.096 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -26.571 8.126 39.943 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -26.970 9.800 39.610 1.00 0.00 H new ATOM 152 N SER A 18 -27.072 10.437 37.152 1.00 0.00 N ATOM 153 CA SER A 18 -26.277 11.220 36.163 1.00 0.00 C ATOM 154 C SER A 18 -25.183 12.006 36.891 1.00 0.00 C ATOM 155 O SER A 18 -24.130 12.272 36.343 1.00 0.00 O ATOM 156 CB SER A 18 -27.197 12.192 35.425 1.00 0.00 C ATOM 157 OG SER A 18 -28.101 12.778 36.353 1.00 0.00 O ATOM 0 H SER A 18 -27.650 10.996 37.780 1.00 0.00 H new ATOM 0 HA SER A 18 -25.818 10.539 35.447 1.00 0.00 H new ATOM 0 HB2 SER A 18 -26.608 12.967 34.934 1.00 0.00 H new ATOM 0 HB3 SER A 18 -27.748 11.668 34.644 1.00 0.00 H new ATOM 0 HG SER A 18 -28.692 13.403 35.884 1.00 0.00 H new ATOM 158 N LYS A 19 -25.428 12.379 38.122 1.00 0.00 N ATOM 159 CA LYS A 19 -24.409 13.150 38.894 1.00 0.00 C ATOM 160 C LYS A 19 -23.148 12.301 39.071 1.00 0.00 C ATOM 161 O LYS A 19 -22.052 12.822 39.173 1.00 0.00 O ATOM 162 CB LYS A 19 -24.978 13.511 40.268 1.00 0.00 C ATOM 163 CG LYS A 19 -24.042 14.501 40.965 1.00 0.00 C ATOM 164 CD LYS A 19 -24.087 14.270 42.476 1.00 0.00 C ATOM 165 CE LYS A 19 -25.461 14.674 43.014 1.00 0.00 C ATOM 166 NZ LYS A 19 -25.824 13.794 44.160 1.00 0.00 N ATOM 0 H LYS A 19 -26.293 12.182 38.626 1.00 0.00 H new ATOM 0 HA LYS A 19 -24.157 14.062 38.352 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -25.971 13.948 40.159 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -25.090 12.612 40.874 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -23.024 14.375 40.598 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -24.340 15.524 40.734 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -23.891 13.221 42.700 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -23.307 14.852 42.967 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -25.447 15.716 43.332 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -26.210 14.592 42.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -26.758 14.068 44.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -25.854 12.804 43.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -25.114 13.894 44.913 1.00 0.00 H new ATOM 167 N SER A 20 -23.295 11.000 39.112 1.00 0.00 N ATOM 168 CA SER A 20 -22.106 10.115 39.285 1.00 0.00 C ATOM 169 C SER A 20 -22.510 8.658 39.049 1.00 0.00 C ATOM 170 O SER A 20 -23.164 8.047 39.874 1.00 0.00 O ATOM 171 CB SER A 20 -21.564 10.264 40.708 1.00 0.00 C ATOM 172 OG SER A 20 -20.627 9.228 40.965 1.00 0.00 O ATOM 0 H SER A 20 -24.188 10.514 39.033 1.00 0.00 H new ATOM 0 HA SER A 20 -21.337 10.400 38.567 1.00 0.00 H new ATOM 0 HB2 SER A 20 -21.089 11.238 40.828 1.00 0.00 H new ATOM 0 HB3 SER A 20 -22.381 10.217 41.427 1.00 0.00 H new ATOM 0 HG SER A 20 -20.277 9.322 41.876 1.00 0.00 H new ATOM 173 N THR A 21 -22.120 8.097 37.931 1.00 0.00 N ATOM 174 CA THR A 21 -22.475 6.678 37.641 1.00 0.00 C ATOM 175 C THR A 21 -21.357 6.024 36.815 1.00 0.00 C ATOM 176 O THR A 21 -20.406 6.676 36.407 1.00 0.00 O ATOM 177 CB THR A 21 -23.807 6.624 36.874 1.00 0.00 C ATOM 178 OG1 THR A 21 -24.212 5.271 36.724 1.00 0.00 O ATOM 179 CG2 THR A 21 -23.661 7.268 35.490 1.00 0.00 C ATOM 0 H THR A 21 -21.571 8.562 37.208 1.00 0.00 H new ATOM 0 HA THR A 21 -22.586 6.132 38.578 1.00 0.00 H new ATOM 0 HB THR A 21 -24.558 7.176 37.439 1.00 0.00 H new ATOM 0 HG1 THR A 21 -25.062 5.236 36.237 1.00 0.00 H new ATOM 0 HG21 THR A 21 -24.614 7.219 34.964 1.00 0.00 H new ATOM 0 HG22 THR A 21 -23.362 8.310 35.603 1.00 0.00 H new ATOM 0 HG23 THR A 21 -22.903 6.733 34.918 1.00 0.00 H new ATOM 180 N TRP A 22 -21.466 4.745 36.567 1.00 0.00 N ATOM 181 CA TRP A 22 -20.415 4.046 35.768 1.00 0.00 C ATOM 182 C TRP A 22 -21.076 3.316 34.597 1.00 0.00 C ATOM 183 O TRP A 22 -22.278 3.125 34.569 1.00 0.00 O ATOM 184 CB TRP A 22 -19.646 3.011 36.625 1.00 0.00 C ATOM 185 CG TRP A 22 -19.528 3.452 38.058 1.00 0.00 C ATOM 186 CD1 TRP A 22 -19.263 4.711 38.471 1.00 0.00 C ATOM 187 CD2 TRP A 22 -19.652 2.646 39.267 1.00 0.00 C ATOM 188 NE1 TRP A 22 -19.225 4.732 39.854 1.00 0.00 N ATOM 189 CE2 TRP A 22 -19.459 3.484 40.390 1.00 0.00 C ATOM 190 CE3 TRP A 22 -19.915 1.283 39.495 1.00 0.00 C ATOM 191 CZ2 TRP A 22 -19.523 2.989 41.694 1.00 0.00 C ATOM 192 CZ3 TRP A 22 -19.980 0.781 40.806 1.00 0.00 C ATOM 193 CH2 TRP A 22 -19.784 1.632 41.903 1.00 0.00 C ATOM 0 H TRP A 22 -22.236 4.155 36.882 1.00 0.00 H new ATOM 0 HA TRP A 22 -19.709 4.795 35.411 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -20.158 2.050 36.581 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -18.650 2.861 36.207 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -19.106 5.563 37.826 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -19.046 5.569 40.409 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -20.068 0.618 38.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -19.372 3.650 42.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -20.182 -0.267 40.970 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -19.835 1.239 42.908 1.00 0.00 H new ATOM 194 N VAL A 23 -20.293 2.903 33.633 1.00 0.00 N ATOM 195 CA VAL A 23 -20.857 2.178 32.456 1.00 0.00 C ATOM 196 C VAL A 23 -20.110 0.853 32.282 1.00 0.00 C ATOM 197 O VAL A 23 -18.918 0.769 32.512 1.00 0.00 O ATOM 198 CB VAL A 23 -20.696 3.046 31.199 1.00 0.00 C ATOM 199 CG1 VAL A 23 -21.227 2.303 29.969 1.00 0.00 C ATOM 200 CG2 VAL A 23 -21.488 4.341 31.382 1.00 0.00 C ATOM 0 H VAL A 23 -19.282 3.038 33.611 1.00 0.00 H new ATOM 0 HA VAL A 23 -21.917 1.976 32.613 1.00 0.00 H new ATOM 0 HB VAL A 23 -19.639 3.267 31.052 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -21.107 2.930 29.085 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -20.669 1.376 29.835 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -22.283 2.074 30.110 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -21.379 4.963 30.494 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -22.541 4.105 31.532 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -21.109 4.880 32.251 1.00 0.00 H new ATOM 201 N ILE A 24 -20.806 -0.179 31.880 1.00 0.00 N ATOM 202 CA ILE A 24 -20.146 -1.501 31.689 1.00 0.00 C ATOM 203 C ILE A 24 -19.667 -1.627 30.242 1.00 0.00 C ATOM 204 O ILE A 24 -20.398 -1.350 29.308 1.00 0.00 O ATOM 205 CB ILE A 24 -21.144 -2.623 31.999 1.00 0.00 C ATOM 206 CG1 ILE A 24 -21.707 -2.431 33.412 1.00 0.00 C ATOM 207 CG2 ILE A 24 -20.435 -3.977 31.915 1.00 0.00 C ATOM 208 CD1 ILE A 24 -23.172 -2.871 33.440 1.00 0.00 C ATOM 0 H ILE A 24 -21.805 -0.161 31.676 1.00 0.00 H new ATOM 0 HA ILE A 24 -19.292 -1.581 32.362 1.00 0.00 H new ATOM 0 HB ILE A 24 -21.958 -2.593 31.275 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -21.127 -3.013 34.128 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -21.624 -1.386 33.709 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -21.145 -4.774 32.136 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -20.034 -4.116 30.911 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -19.620 -4.007 32.639 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -23.574 -2.735 34.444 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -23.746 -2.270 32.735 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -23.242 -3.922 33.161 1.00 0.00 H new ATOM 209 N LEU A 25 -18.443 -2.047 30.054 1.00 0.00 N ATOM 210 CA LEU A 25 -17.899 -2.202 28.674 1.00 0.00 C ATOM 211 C LEU A 25 -17.070 -3.488 28.610 1.00 0.00 C ATOM 212 O LEU A 25 -16.075 -3.620 29.295 1.00 0.00 O ATOM 213 CB LEU A 25 -17.011 -0.995 28.338 1.00 0.00 C ATOM 214 CG LEU A 25 -17.743 -0.060 27.372 1.00 0.00 C ATOM 215 CD1 LEU A 25 -16.906 1.202 27.149 1.00 0.00 C ATOM 216 CD2 LEU A 25 -17.954 -0.771 26.034 1.00 0.00 C ATOM 0 H LEU A 25 -17.794 -2.290 30.802 1.00 0.00 H new ATOM 0 HA LEU A 25 -18.716 -2.256 27.955 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -16.752 -0.458 29.251 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -16.076 -1.334 27.891 1.00 0.00 H new ATOM 0 HG LEU A 25 -18.709 0.213 27.796 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -17.427 1.868 26.461 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -16.754 1.711 28.101 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -15.940 0.928 26.726 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -18.475 -0.105 25.346 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -16.987 -1.045 25.611 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.550 -1.670 26.190 1.00 0.00 H new ATOM 217 N HIS A 26 -17.491 -4.435 27.797 1.00 0.00 N ATOM 218 CA HIS A 26 -16.766 -5.750 27.653 1.00 0.00 C ATOM 219 C HIS A 26 -16.296 -6.282 29.019 1.00 0.00 C ATOM 220 O HIS A 26 -15.125 -6.527 29.235 1.00 0.00 O ATOM 221 CB HIS A 26 -15.566 -5.601 26.700 1.00 0.00 C ATOM 222 CG HIS A 26 -14.659 -4.489 27.155 1.00 0.00 C ATOM 223 ND1 HIS A 26 -13.575 -4.713 27.991 1.00 0.00 N ATOM 224 CD2 HIS A 26 -14.653 -3.142 26.889 1.00 0.00 C ATOM 225 CE1 HIS A 26 -12.969 -3.529 28.195 1.00 0.00 C ATOM 226 NE2 HIS A 26 -13.585 -2.538 27.546 1.00 0.00 N ATOM 0 H HIS A 26 -18.324 -4.351 27.214 1.00 0.00 H new ATOM 0 HA HIS A 26 -17.466 -6.472 27.232 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -15.009 -6.537 26.659 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -15.921 -5.397 25.690 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -13.289 -5.612 28.380 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -15.369 -2.629 26.264 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.091 -3.396 28.809 1.00 0.00 H new ATOM 227 N HIS A 27 -17.215 -6.460 29.937 1.00 0.00 N ATOM 228 CA HIS A 27 -16.849 -6.973 31.293 1.00 0.00 C ATOM 229 C HIS A 27 -15.887 -5.992 31.974 1.00 0.00 C ATOM 230 O HIS A 27 -14.692 -6.210 32.017 1.00 0.00 O ATOM 231 CB HIS A 27 -16.181 -8.345 31.165 1.00 0.00 C ATOM 232 CG HIS A 27 -16.439 -9.147 32.412 1.00 0.00 C ATOM 233 ND1 HIS A 27 -15.460 -9.360 33.370 1.00 0.00 N ATOM 234 CD2 HIS A 27 -17.560 -9.793 32.873 1.00 0.00 C ATOM 235 CE1 HIS A 27 -16.005 -10.105 34.349 1.00 0.00 C ATOM 236 NE2 HIS A 27 -17.283 -10.398 34.095 1.00 0.00 N ATOM 0 H HIS A 27 -18.208 -6.271 29.804 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.752 -7.069 31.896 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -16.571 -8.871 30.294 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -15.108 -8.226 31.012 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -18.512 -9.826 32.364 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.474 -10.427 35.233 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -17.919 -10.947 34.673 1.00 0.00 H new ATOM 237 N LYS A 28 -16.408 -4.916 32.508 1.00 0.00 N ATOM 238 CA LYS A 28 -15.540 -3.912 33.194 1.00 0.00 C ATOM 239 C LYS A 28 -16.414 -2.781 33.743 1.00 0.00 C ATOM 240 O LYS A 28 -17.523 -2.571 33.288 1.00 0.00 O ATOM 241 CB LYS A 28 -14.524 -3.341 32.191 1.00 0.00 C ATOM 242 CG LYS A 28 -13.126 -3.884 32.506 1.00 0.00 C ATOM 243 CD LYS A 28 -12.341 -4.058 31.204 1.00 0.00 C ATOM 244 CE LYS A 28 -11.031 -4.792 31.493 1.00 0.00 C ATOM 245 NZ LYS A 28 -10.542 -5.444 30.244 1.00 0.00 N ATOM 0 H LYS A 28 -17.402 -4.689 32.498 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.005 -4.389 34.015 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.810 -3.613 31.175 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.522 -2.252 32.241 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.600 -3.200 33.172 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.204 -4.838 33.027 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.933 -4.620 30.482 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.134 -3.085 30.759 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.284 -4.092 31.867 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.185 -5.540 32.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.651 -5.944 30.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.253 -6.123 29.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.380 -4.720 29.515 1.00 0.00 H new ATOM 246 N VAL A 29 -15.925 -2.050 34.715 1.00 0.00 N ATOM 247 CA VAL A 29 -16.728 -0.928 35.289 1.00 0.00 C ATOM 248 C VAL A 29 -16.026 0.385 34.964 1.00 0.00 C ATOM 249 O VAL A 29 -14.815 0.471 35.011 1.00 0.00 O ATOM 250 CB VAL A 29 -16.847 -1.093 36.809 1.00 0.00 C ATOM 251 CG1 VAL A 29 -17.904 -0.127 37.344 1.00 0.00 C ATOM 252 CG2 VAL A 29 -17.260 -2.531 37.143 1.00 0.00 C ATOM 0 H VAL A 29 -15.005 -2.183 35.135 1.00 0.00 H new ATOM 0 HA VAL A 29 -17.730 -0.931 34.860 1.00 0.00 H new ATOM 0 HB VAL A 29 -15.884 -0.876 37.271 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -17.990 -0.243 38.424 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.612 0.897 37.111 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -18.865 -0.345 36.878 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -17.343 -2.644 38.224 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -18.222 -2.750 36.680 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -16.509 -3.223 36.763 1.00 0.00 H new ATOM 253 N TYR A 30 -16.771 1.399 34.607 1.00 0.00 N ATOM 254 CA TYR A 30 -16.129 2.693 34.241 1.00 0.00 C ATOM 255 C TYR A 30 -16.570 3.824 35.161 1.00 0.00 C ATOM 256 O TYR A 30 -17.615 4.407 34.957 1.00 0.00 O ATOM 257 CB TYR A 30 -16.541 3.065 32.821 1.00 0.00 C ATOM 258 CG TYR A 30 -15.727 2.281 31.840 1.00 0.00 C ATOM 259 CD1 TYR A 30 -15.817 0.890 31.820 1.00 0.00 C ATOM 260 CD2 TYR A 30 -14.882 2.946 30.952 1.00 0.00 C ATOM 261 CE1 TYR A 30 -15.058 0.157 30.907 1.00 0.00 C ATOM 262 CE2 TYR A 30 -14.121 2.216 30.038 1.00 0.00 C ATOM 263 CZ TYR A 30 -14.207 0.819 30.014 1.00 0.00 C ATOM 264 OH TYR A 30 -13.455 0.096 29.111 1.00 0.00 O ATOM 0 H TYR A 30 -17.790 1.386 34.554 1.00 0.00 H new ATOM 0 HA TYR A 30 -15.050 2.564 34.330 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -17.602 2.861 32.674 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -16.396 4.133 32.658 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -16.473 0.381 32.510 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -14.817 4.024 30.972 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -15.127 -0.921 30.889 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -13.466 2.729 29.349 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.914 -0.744 28.901 1.00 0.00 H new ATOM 265 N ASP A 31 -15.760 4.191 36.124 1.00 0.00 N ATOM 266 CA ASP A 31 -16.125 5.348 36.992 1.00 0.00 C ATOM 267 C ASP A 31 -15.993 6.585 36.112 1.00 0.00 C ATOM 268 O ASP A 31 -14.916 7.129 35.948 1.00 0.00 O ATOM 269 CB ASP A 31 -15.169 5.438 38.185 1.00 0.00 C ATOM 270 CG ASP A 31 -15.551 6.634 39.063 1.00 0.00 C ATOM 271 OD1 ASP A 31 -15.057 7.717 38.799 1.00 0.00 O ATOM 272 OD2 ASP A 31 -16.328 6.444 39.983 1.00 0.00 O ATOM 0 H ASP A 31 -14.870 3.743 36.343 1.00 0.00 H new ATOM 0 HA ASP A 31 -17.133 5.248 37.393 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.212 4.518 38.768 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.143 5.545 37.834 1.00 0.00 H new ATOM 273 N LEU A 32 -17.069 6.990 35.491 1.00 0.00 N ATOM 274 CA LEU A 32 -16.998 8.144 34.553 1.00 0.00 C ATOM 275 C LEU A 32 -17.584 9.396 35.207 1.00 0.00 C ATOM 276 O LEU A 32 -18.077 10.280 34.534 1.00 0.00 O ATOM 277 CB LEU A 32 -17.788 7.791 33.282 1.00 0.00 C ATOM 278 CG LEU A 32 -17.335 6.417 32.741 1.00 0.00 C ATOM 279 CD1 LEU A 32 -18.560 5.588 32.348 1.00 0.00 C ATOM 280 CD2 LEU A 32 -16.438 6.598 31.511 1.00 0.00 C ATOM 0 H LEU A 32 -17.993 6.570 35.594 1.00 0.00 H new ATOM 0 HA LEU A 32 -15.958 8.349 34.299 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.855 7.770 33.502 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.634 8.558 32.523 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.775 5.903 33.522 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -18.237 4.619 31.967 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -19.195 5.441 33.222 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -19.122 6.113 31.575 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.127 5.621 31.141 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.991 7.122 30.731 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.558 7.180 31.785 1.00 0.00 H new ATOM 281 N THR A 33 -17.520 9.482 36.511 1.00 0.00 N ATOM 282 CA THR A 33 -18.063 10.680 37.217 1.00 0.00 C ATOM 283 C THR A 33 -17.317 11.939 36.753 1.00 0.00 C ATOM 284 O THR A 33 -17.842 13.035 36.818 1.00 0.00 O ATOM 285 CB THR A 33 -17.880 10.509 38.727 1.00 0.00 C ATOM 286 OG1 THR A 33 -16.492 10.467 39.032 1.00 0.00 O ATOM 287 CG2 THR A 33 -18.543 9.209 39.181 1.00 0.00 C ATOM 0 H THR A 33 -17.113 8.771 37.119 1.00 0.00 H new ATOM 0 HA THR A 33 -19.123 10.783 36.986 1.00 0.00 H new ATOM 0 HB THR A 33 -18.342 11.349 39.246 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.168 9.546 38.954 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.411 9.090 40.256 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.607 9.242 38.947 1.00 0.00 H new ATOM 0 HG23 THR A 33 -18.084 8.367 38.664 1.00 0.00 H new ATOM 288 N LYS A 34 -16.102 11.788 36.286 1.00 0.00 N ATOM 289 CA LYS A 34 -15.325 12.971 35.816 1.00 0.00 C ATOM 290 C LYS A 34 -15.280 12.987 34.283 1.00 0.00 C ATOM 291 O LYS A 34 -15.049 14.015 33.674 1.00 0.00 O ATOM 292 CB LYS A 34 -13.898 12.894 36.366 1.00 0.00 C ATOM 293 CG LYS A 34 -13.816 13.668 37.683 1.00 0.00 C ATOM 294 CD LYS A 34 -12.357 13.742 38.141 1.00 0.00 C ATOM 295 CE LYS A 34 -12.116 15.071 38.861 1.00 0.00 C ATOM 296 NZ LYS A 34 -10.725 15.535 38.593 1.00 0.00 N ATOM 0 H LYS A 34 -15.616 10.894 36.211 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.806 13.882 36.172 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.614 11.854 36.525 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.196 13.309 35.643 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.219 14.672 37.553 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.423 13.177 38.444 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.131 12.909 38.807 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.690 13.655 37.283 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.832 15.818 38.519 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.270 14.949 39.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.560 16.438 39.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.049 14.825 38.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.594 15.666 37.570 1.00 0.00 H new ATOM 297 N PHE A 35 -15.499 11.856 33.657 1.00 0.00 N ATOM 298 CA PHE A 35 -15.470 11.798 32.167 1.00 0.00 C ATOM 299 C PHE A 35 -16.753 12.413 31.581 1.00 0.00 C ATOM 300 O PHE A 35 -16.869 12.574 30.381 1.00 0.00 O ATOM 301 CB PHE A 35 -15.349 10.332 31.736 1.00 0.00 C ATOM 302 CG PHE A 35 -15.250 10.229 30.231 1.00 0.00 C ATOM 303 CD1 PHE A 35 -14.305 10.989 29.535 1.00 0.00 C ATOM 304 CD2 PHE A 35 -16.106 9.365 29.536 1.00 0.00 C ATOM 305 CE1 PHE A 35 -14.214 10.884 28.142 1.00 0.00 C ATOM 306 CE2 PHE A 35 -16.014 9.261 28.144 1.00 0.00 C ATOM 307 CZ PHE A 35 -15.070 10.020 27.447 1.00 0.00 C ATOM 0 H PHE A 35 -15.697 10.968 34.119 1.00 0.00 H new ATOM 0 HA PHE A 35 -14.618 12.368 31.796 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -14.469 9.883 32.196 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -16.214 9.771 32.089 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -13.646 11.656 30.071 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -16.837 8.780 30.074 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -13.484 11.469 27.603 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -16.673 8.594 27.608 1.00 0.00 H new ATOM 0 HZ PHE A 35 -15.000 9.940 26.372 1.00 0.00 H new ATOM 308 N LEU A 36 -17.716 12.757 32.410 1.00 0.00 N ATOM 309 CA LEU A 36 -18.979 13.358 31.884 1.00 0.00 C ATOM 310 C LEU A 36 -18.664 14.679 31.180 1.00 0.00 C ATOM 311 O LEU A 36 -19.126 14.932 30.082 1.00 0.00 O ATOM 312 CB LEU A 36 -19.944 13.623 33.045 1.00 0.00 C ATOM 313 CG LEU A 36 -20.512 12.298 33.559 1.00 0.00 C ATOM 314 CD1 LEU A 36 -21.388 12.560 34.786 1.00 0.00 C ATOM 315 CD2 LEU A 36 -21.358 11.642 32.464 1.00 0.00 C ATOM 0 H LEU A 36 -17.678 12.646 33.423 1.00 0.00 H new ATOM 0 HA LEU A 36 -19.438 12.667 31.177 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -19.425 14.143 33.850 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -20.754 14.273 32.715 1.00 0.00 H new ATOM 0 HG LEU A 36 -19.691 11.635 33.830 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -21.793 11.617 35.152 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -20.789 13.026 35.568 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -22.208 13.225 34.513 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -21.761 10.699 32.832 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -22.178 12.306 32.191 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -20.737 11.454 31.588 1.00 0.00 H new ATOM 316 N GLU A 37 -17.884 15.525 31.805 1.00 0.00 N ATOM 317 CA GLU A 37 -17.536 16.834 31.181 1.00 0.00 C ATOM 318 C GLU A 37 -16.057 16.839 30.790 1.00 0.00 C ATOM 319 O GLU A 37 -15.413 17.872 30.790 1.00 0.00 O ATOM 320 CB GLU A 37 -17.805 17.962 32.180 1.00 0.00 C ATOM 321 CG GLU A 37 -17.810 19.304 31.446 1.00 0.00 C ATOM 322 CD GLU A 37 -19.243 19.664 31.051 1.00 0.00 C ATOM 323 OE1 GLU A 37 -20.094 19.670 31.925 1.00 0.00 O ATOM 324 OE2 GLU A 37 -19.467 19.927 29.881 1.00 0.00 O ATOM 0 H GLU A 37 -17.473 15.363 32.724 1.00 0.00 H new ATOM 0 HA GLU A 37 -18.145 16.984 30.290 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -18.763 17.803 32.675 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -17.041 17.964 32.957 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -17.391 20.082 32.085 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -17.180 19.247 30.558 1.00 0.00 H new ATOM 325 N GLU A 38 -15.516 15.695 30.457 1.00 0.00 N ATOM 326 CA GLU A 38 -14.078 15.629 30.062 1.00 0.00 C ATOM 327 C GLU A 38 -13.930 16.081 28.607 1.00 0.00 C ATOM 328 O GLU A 38 -12.909 16.620 28.218 1.00 0.00 O ATOM 329 CB GLU A 38 -13.565 14.193 30.216 1.00 0.00 C ATOM 330 CG GLU A 38 -12.815 14.055 31.543 1.00 0.00 C ATOM 331 CD GLU A 38 -11.414 14.654 31.401 1.00 0.00 C ATOM 332 OE1 GLU A 38 -11.290 15.669 30.737 1.00 0.00 O ATOM 333 OE2 GLU A 38 -10.490 14.086 31.960 1.00 0.00 O ATOM 0 H GLU A 38 -16.010 14.803 30.442 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.493 16.286 30.706 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -14.400 13.493 30.184 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.905 13.941 29.386 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.361 14.565 32.337 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.746 13.005 31.827 1.00 0.00 H new ATOM 334 N HIS A 39 -14.942 15.870 27.799 1.00 0.00 N ATOM 335 CA HIS A 39 -14.863 16.292 26.369 1.00 0.00 C ATOM 336 C HIS A 39 -16.207 16.903 25.940 1.00 0.00 C ATOM 337 O HIS A 39 -17.239 16.525 26.458 1.00 0.00 O ATOM 338 CB HIS A 39 -14.551 15.077 25.493 1.00 0.00 C ATOM 339 CG HIS A 39 -13.247 14.466 25.927 1.00 0.00 C ATOM 340 ND1 HIS A 39 -13.137 13.716 27.086 1.00 0.00 N ATOM 341 CD2 HIS A 39 -11.993 14.487 25.372 1.00 0.00 C ATOM 342 CE1 HIS A 39 -11.856 13.318 27.190 1.00 0.00 C ATOM 343 NE2 HIS A 39 -11.115 13.761 26.171 1.00 0.00 N ATOM 0 H HIS A 39 -15.818 15.424 28.070 1.00 0.00 H new ATOM 0 HA HIS A 39 -14.073 17.034 26.253 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -15.353 14.343 25.572 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -14.494 15.375 24.446 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.727 14.991 24.454 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.473 12.714 27.999 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -10.120 13.602 26.013 1.00 0.00 H new ATOM 344 N PRO A 40 -16.169 17.833 25.001 1.00 0.00 N ATOM 345 CA PRO A 40 -17.392 18.518 24.480 1.00 0.00 C ATOM 346 C PRO A 40 -18.056 17.673 23.388 1.00 0.00 C ATOM 347 O PRO A 40 -17.664 17.718 22.237 1.00 0.00 O ATOM 348 CB PRO A 40 -16.853 19.818 23.903 1.00 0.00 C ATOM 349 CG PRO A 40 -15.388 19.586 23.560 1.00 0.00 C ATOM 350 CD PRO A 40 -14.924 18.340 24.323 1.00 0.00 C ATOM 0 HA PRO A 40 -18.152 18.677 25.245 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -17.415 20.107 23.015 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -16.956 20.630 24.623 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -15.264 19.446 22.486 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.788 20.452 23.840 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.506 17.593 23.648 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.148 18.584 25.048 1.00 0.00 H new ATOM 351 N GLY A 41 -19.055 16.907 23.744 1.00 0.00 N ATOM 352 CA GLY A 41 -19.750 16.057 22.731 1.00 0.00 C ATOM 353 C GLY A 41 -20.565 14.976 23.443 1.00 0.00 C ATOM 354 O GLY A 41 -20.184 14.486 24.489 1.00 0.00 O ATOM 0 H GLY A 41 -19.420 16.833 24.694 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -20.404 16.672 22.112 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -19.020 15.597 22.065 1.00 0.00 H new ATOM 355 N GLY A 42 -21.685 14.601 22.879 1.00 0.00 N ATOM 356 CA GLY A 42 -22.535 13.550 23.512 1.00 0.00 C ATOM 357 C GLY A 42 -22.312 12.216 22.800 1.00 0.00 C ATOM 358 O GLY A 42 -23.235 11.449 22.597 1.00 0.00 O ATOM 0 H GLY A 42 -22.048 14.980 22.004 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -22.288 13.456 24.569 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -23.586 13.834 23.454 1.00 0.00 H new ATOM 359 N GLU A 43 -21.091 11.933 22.419 1.00 0.00 N ATOM 360 CA GLU A 43 -20.797 10.649 21.718 1.00 0.00 C ATOM 361 C GLU A 43 -19.735 9.874 22.506 1.00 0.00 C ATOM 362 O GLU A 43 -20.023 8.866 23.124 1.00 0.00 O ATOM 363 CB GLU A 43 -20.281 10.951 20.302 1.00 0.00 C ATOM 364 CG GLU A 43 -21.202 10.305 19.263 1.00 0.00 C ATOM 365 CD GLU A 43 -21.069 8.783 19.339 1.00 0.00 C ATOM 366 OE1 GLU A 43 -21.204 8.249 20.427 1.00 0.00 O ATOM 367 OE2 GLU A 43 -20.836 8.175 18.306 1.00 0.00 O ATOM 0 H GLU A 43 -20.284 12.539 22.565 1.00 0.00 H new ATOM 0 HA GLU A 43 -21.704 10.048 21.650 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -20.238 12.029 20.143 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -19.266 10.571 20.187 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -22.236 10.600 19.444 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -20.942 10.654 18.264 1.00 0.00 H new ATOM 368 N GLU A 44 -18.511 10.339 22.485 1.00 0.00 N ATOM 369 CA GLU A 44 -17.424 9.636 23.231 1.00 0.00 C ATOM 370 C GLU A 44 -17.735 9.633 24.727 1.00 0.00 C ATOM 371 O GLU A 44 -17.294 8.768 25.459 1.00 0.00 O ATOM 372 CB GLU A 44 -16.093 10.350 22.987 1.00 0.00 C ATOM 373 CG GLU A 44 -16.234 11.831 23.341 1.00 0.00 C ATOM 374 CD GLU A 44 -14.844 12.458 23.476 1.00 0.00 C ATOM 375 OE1 GLU A 44 -14.071 11.968 24.281 1.00 0.00 O ATOM 376 OE2 GLU A 44 -14.579 13.418 22.771 1.00 0.00 O ATOM 0 H GLU A 44 -18.218 11.177 21.982 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.357 8.607 22.879 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -15.308 9.894 23.591 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -15.796 10.242 21.944 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -16.804 12.348 22.569 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -16.787 11.942 24.274 1.00 0.00 H new ATOM 377 N VAL A 45 -18.494 10.590 25.181 1.00 0.00 N ATOM 378 CA VAL A 45 -18.848 10.659 26.628 1.00 0.00 C ATOM 379 C VAL A 45 -19.847 9.536 26.955 1.00 0.00 C ATOM 380 O VAL A 45 -19.907 8.538 26.264 1.00 0.00 O ATOM 381 CB VAL A 45 -19.451 12.039 26.932 1.00 0.00 C ATOM 382 CG1 VAL A 45 -18.437 13.123 26.565 1.00 0.00 C ATOM 383 CG2 VAL A 45 -20.725 12.245 26.106 1.00 0.00 C ATOM 0 H VAL A 45 -18.889 11.335 24.607 1.00 0.00 H new ATOM 0 HA VAL A 45 -17.960 10.525 27.246 1.00 0.00 H new ATOM 0 HB VAL A 45 -19.694 12.099 27.993 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -18.860 14.104 26.779 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -17.528 12.984 27.151 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -18.199 13.054 25.504 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -21.147 13.225 26.327 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -20.484 12.184 25.045 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -21.451 11.472 26.358 1.00 0.00 H new ATOM 384 N LEU A 46 -20.625 9.686 28.001 1.00 0.00 N ATOM 385 CA LEU A 46 -21.613 8.627 28.373 1.00 0.00 C ATOM 386 C LEU A 46 -22.964 8.907 27.700 1.00 0.00 C ATOM 387 O LEU A 46 -24.008 8.682 28.284 1.00 0.00 O ATOM 388 CB LEU A 46 -21.796 8.638 29.897 1.00 0.00 C ATOM 389 CG LEU A 46 -20.762 7.729 30.580 1.00 0.00 C ATOM 390 CD1 LEU A 46 -19.337 8.103 30.140 1.00 0.00 C ATOM 391 CD2 LEU A 46 -20.882 7.900 32.096 1.00 0.00 C ATOM 0 H LEU A 46 -20.617 10.501 28.615 1.00 0.00 H new ATOM 0 HA LEU A 46 -21.247 7.655 28.042 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -21.695 9.656 30.272 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -22.803 8.304 30.149 1.00 0.00 H new ATOM 0 HG LEU A 46 -20.954 6.694 30.296 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -18.620 7.448 30.635 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -19.248 7.989 29.060 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -19.132 9.138 30.413 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -20.153 7.260 32.593 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -20.692 8.940 32.361 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -21.886 7.622 32.415 1.00 0.00 H new ATOM 392 N ARG A 47 -22.958 9.393 26.481 1.00 0.00 N ATOM 393 CA ARG A 47 -24.241 9.690 25.775 1.00 0.00 C ATOM 394 C ARG A 47 -25.043 10.724 26.569 1.00 0.00 C ATOM 395 O ARG A 47 -26.258 10.760 26.509 1.00 0.00 O ATOM 396 CB ARG A 47 -25.063 8.404 25.637 1.00 0.00 C ATOM 397 CG ARG A 47 -26.174 8.613 24.608 1.00 0.00 C ATOM 398 CD ARG A 47 -25.696 8.137 23.235 1.00 0.00 C ATOM 399 NE ARG A 47 -26.750 8.414 22.218 1.00 0.00 N ATOM 400 CZ ARG A 47 -26.565 9.345 21.323 1.00 0.00 C ATOM 401 NH1 ARG A 47 -25.517 9.306 20.548 1.00 0.00 N ATOM 402 NH2 ARG A 47 -27.428 10.316 21.206 1.00 0.00 N ATOM 0 H ARG A 47 -22.115 9.597 25.944 1.00 0.00 H new ATOM 0 HA ARG A 47 -24.019 10.088 24.785 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -24.419 7.580 25.329 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -25.493 8.130 26.600 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -27.067 8.063 24.905 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -26.449 9.667 24.564 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -24.771 8.646 22.964 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -25.476 7.070 23.265 1.00 0.00 H new ATOM 0 HE ARG A 47 -27.616 7.875 22.222 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -24.842 8.547 20.641 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -25.373 10.034 19.848 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -28.246 10.347 21.814 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -27.284 11.044 20.507 1.00 0.00 H new ATOM 403 N GLU A 48 -24.372 11.568 27.317 1.00 0.00 N ATOM 404 CA GLU A 48 -25.087 12.605 28.124 1.00 0.00 C ATOM 405 C GLU A 48 -26.047 11.925 29.104 1.00 0.00 C ATOM 406 O GLU A 48 -27.135 12.405 29.356 1.00 0.00 O ATOM 407 CB GLU A 48 -25.878 13.526 27.190 1.00 0.00 C ATOM 408 CG GLU A 48 -25.923 14.937 27.781 1.00 0.00 C ATOM 409 CD GLU A 48 -27.175 15.090 28.643 1.00 0.00 C ATOM 410 OE1 GLU A 48 -28.243 15.262 28.079 1.00 0.00 O ATOM 411 OE2 GLU A 48 -27.048 15.034 29.855 1.00 0.00 O ATOM 0 H GLU A 48 -23.356 11.582 27.403 1.00 0.00 H new ATOM 0 HA GLU A 48 -24.358 13.192 28.682 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -25.413 13.548 26.204 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -26.890 13.144 27.057 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -25.031 15.120 28.381 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -25.927 15.678 26.981 1.00 0.00 H new ATOM 412 N GLN A 49 -25.646 10.806 29.656 1.00 0.00 N ATOM 413 CA GLN A 49 -26.521 10.073 30.622 1.00 0.00 C ATOM 414 C GLN A 49 -27.859 9.730 29.960 1.00 0.00 C ATOM 415 O GLN A 49 -28.837 10.438 30.114 1.00 0.00 O ATOM 416 CB GLN A 49 -26.768 10.947 31.855 1.00 0.00 C ATOM 417 CG GLN A 49 -25.491 11.026 32.696 1.00 0.00 C ATOM 418 CD GLN A 49 -25.134 9.636 33.230 1.00 0.00 C ATOM 419 OE1 GLN A 49 -24.000 9.208 33.133 1.00 0.00 O ATOM 420 NE2 GLN A 49 -26.058 8.906 33.791 1.00 0.00 N ATOM 0 H GLN A 49 -24.743 10.366 29.477 1.00 0.00 H new ATOM 0 HA GLN A 49 -26.025 9.150 30.923 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -27.075 11.947 31.548 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -27.582 10.532 32.450 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -24.671 11.415 32.093 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -25.633 11.719 33.525 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -27.010 9.263 33.873 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -25.829 7.978 34.147 1.00 0.00 H new ATOM 421 N ALA A 50 -27.905 8.649 29.224 1.00 0.00 N ATOM 422 CA ALA A 50 -29.173 8.249 28.546 1.00 0.00 C ATOM 423 C ALA A 50 -29.881 7.177 29.378 1.00 0.00 C ATOM 424 O ALA A 50 -29.542 6.945 30.524 1.00 0.00 O ATOM 425 CB ALA A 50 -28.856 7.691 27.158 1.00 0.00 C ATOM 0 H ALA A 50 -27.115 8.024 29.063 1.00 0.00 H new ATOM 0 HA ALA A 50 -29.822 9.119 28.448 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -29.782 7.399 26.663 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -28.353 8.455 26.565 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -28.207 6.821 27.255 1.00 0.00 H new ATOM 426 N GLY A 51 -30.862 6.524 28.808 1.00 0.00 N ATOM 427 CA GLY A 51 -31.600 5.465 29.557 1.00 0.00 C ATOM 428 C GLY A 51 -30.916 4.114 29.340 1.00 0.00 C ATOM 429 O GLY A 51 -30.010 3.745 30.065 1.00 0.00 O ATOM 0 H GLY A 51 -31.184 6.680 27.853 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -31.623 5.706 30.620 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -32.635 5.419 29.218 1.00 0.00 H new ATOM 430 N GLY A 52 -31.345 3.376 28.349 1.00 0.00 N ATOM 431 CA GLY A 52 -30.725 2.044 28.077 1.00 0.00 C ATOM 432 C GLY A 52 -29.607 2.200 27.047 1.00 0.00 C ATOM 433 O GLY A 52 -29.689 3.017 26.149 1.00 0.00 O ATOM 0 H GLY A 52 -32.100 3.639 27.715 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -30.327 1.622 29.000 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -31.479 1.349 27.708 1.00 0.00 H new ATOM 434 N ASP A 53 -28.562 1.419 27.170 1.00 0.00 N ATOM 435 CA ASP A 53 -27.429 1.513 26.204 1.00 0.00 C ATOM 436 C ASP A 53 -26.386 0.445 26.535 1.00 0.00 C ATOM 437 O ASP A 53 -25.727 0.506 27.557 1.00 0.00 O ATOM 438 CB ASP A 53 -26.788 2.900 26.300 1.00 0.00 C ATOM 439 CG ASP A 53 -26.403 3.186 27.752 1.00 0.00 C ATOM 440 OD1 ASP A 53 -27.255 3.651 28.490 1.00 0.00 O ATOM 441 OD2 ASP A 53 -25.261 2.935 28.103 1.00 0.00 O ATOM 0 H ASP A 53 -28.447 0.718 27.902 1.00 0.00 H new ATOM 0 HA ASP A 53 -27.802 1.355 25.192 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -25.905 2.949 25.662 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -27.483 3.659 25.941 1.00 0.00 H new ATOM 442 N ALA A 54 -26.232 -0.533 25.679 1.00 0.00 N ATOM 443 CA ALA A 54 -25.234 -1.612 25.935 1.00 0.00 C ATOM 444 C ALA A 54 -23.820 -1.051 25.757 1.00 0.00 C ATOM 445 O ALA A 54 -23.111 -0.820 26.717 1.00 0.00 O ATOM 446 CB ALA A 54 -25.458 -2.760 24.950 1.00 0.00 C ATOM 0 H ALA A 54 -26.758 -0.630 24.810 1.00 0.00 H new ATOM 0 HA ALA A 54 -25.352 -1.982 26.953 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -24.729 -3.548 25.138 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -26.464 -3.159 25.079 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -25.341 -2.393 23.930 1.00 0.00 H new ATOM 447 N THR A 55 -23.409 -0.833 24.532 1.00 0.00 N ATOM 448 CA THR A 55 -22.044 -0.285 24.281 1.00 0.00 C ATOM 449 C THR A 55 -22.036 0.477 22.955 1.00 0.00 C ATOM 450 O THR A 55 -21.510 1.570 22.864 1.00 0.00 O ATOM 451 CB THR A 55 -21.037 -1.436 24.213 1.00 0.00 C ATOM 452 OG1 THR A 55 -21.370 -2.291 23.128 1.00 0.00 O ATOM 453 CG2 THR A 55 -21.074 -2.230 25.520 1.00 0.00 C ATOM 0 H THR A 55 -23.963 -1.012 23.694 1.00 0.00 H new ATOM 0 HA THR A 55 -21.770 0.391 25.091 1.00 0.00 H new ATOM 0 HB THR A 55 -20.035 -1.033 24.065 1.00 0.00 H new ATOM 0 HG1 THR A 55 -20.725 -3.028 23.082 1.00 0.00 H new ATOM 0 HG21 THR A 55 -20.356 -3.049 25.469 1.00 0.00 H new ATOM 0 HG22 THR A 55 -20.817 -1.574 26.352 1.00 0.00 H new ATOM 0 HG23 THR A 55 -22.075 -2.634 25.672 1.00 0.00 H new ATOM 454 N GLU A 56 -22.614 -0.095 21.930 1.00 0.00 N ATOM 455 CA GLU A 56 -22.646 0.588 20.603 1.00 0.00 C ATOM 456 C GLU A 56 -23.614 1.773 20.662 1.00 0.00 C ATOM 457 O GLU A 56 -24.787 1.640 20.367 1.00 0.00 O ATOM 458 CB GLU A 56 -23.112 -0.399 19.532 1.00 0.00 C ATOM 459 CG GLU A 56 -22.466 -0.043 18.192 1.00 0.00 C ATOM 460 CD GLU A 56 -22.952 -1.014 17.115 1.00 0.00 C ATOM 461 OE1 GLU A 56 -22.882 -2.210 17.350 1.00 0.00 O ATOM 462 OE2 GLU A 56 -23.388 -0.547 16.076 1.00 0.00 O ATOM 0 H GLU A 56 -23.067 -1.009 21.956 1.00 0.00 H new ATOM 0 HA GLU A 56 -21.647 0.947 20.355 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -22.843 -1.416 19.818 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -24.198 -0.369 19.443 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -22.720 0.980 17.915 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -21.380 -0.091 18.276 1.00 0.00 H new ATOM 463 N ASN A 57 -23.129 2.927 21.042 1.00 0.00 N ATOM 464 CA ASN A 57 -24.011 4.127 21.123 1.00 0.00 C ATOM 465 C ASN A 57 -23.177 5.346 21.523 1.00 0.00 C ATOM 466 O ASN A 57 -23.375 6.435 21.019 1.00 0.00 O ATOM 467 CB ASN A 57 -25.103 3.889 22.171 1.00 0.00 C ATOM 468 CG ASN A 57 -26.408 4.543 21.712 1.00 0.00 C ATOM 469 OD1 ASN A 57 -27.437 3.899 21.657 1.00 0.00 O ATOM 470 ND2 ASN A 57 -26.409 5.803 21.377 1.00 0.00 N ATOM 0 H ASN A 57 -22.156 3.089 21.301 1.00 0.00 H new ATOM 0 HA ASN A 57 -24.473 4.305 20.152 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -25.253 2.819 22.318 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -24.796 4.303 23.131 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -27.273 6.248 21.069 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -25.545 6.344 21.423 1.00 0.00 H new ATOM 471 N PHE A 58 -22.245 5.166 22.426 1.00 0.00 N ATOM 472 CA PHE A 58 -21.391 6.309 22.865 1.00 0.00 C ATOM 473 C PHE A 58 -19.982 6.149 22.288 1.00 0.00 C ATOM 474 O PHE A 58 -19.010 6.595 22.870 1.00 0.00 O ATOM 475 CB PHE A 58 -21.317 6.340 24.395 1.00 0.00 C ATOM 476 CG PHE A 58 -20.896 4.986 24.917 1.00 0.00 C ATOM 477 CD1 PHE A 58 -19.536 4.671 25.032 1.00 0.00 C ATOM 478 CD2 PHE A 58 -21.865 4.047 25.287 1.00 0.00 C ATOM 479 CE1 PHE A 58 -19.147 3.417 25.516 1.00 0.00 C ATOM 480 CE2 PHE A 58 -21.476 2.793 25.772 1.00 0.00 C ATOM 481 CZ PHE A 58 -20.116 2.477 25.886 1.00 0.00 C ATOM 0 H PHE A 58 -22.040 4.275 22.878 1.00 0.00 H new ATOM 0 HA PHE A 58 -21.826 7.242 22.506 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -20.607 7.101 24.718 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -22.287 6.614 24.809 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -18.788 5.396 24.747 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -22.914 4.290 25.198 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -18.098 3.174 25.604 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -22.224 2.069 26.058 1.00 0.00 H new ATOM 0 HZ PHE A 58 -19.815 1.509 26.259 1.00 0.00 H new ATOM 482 N GLU A 59 -19.866 5.517 21.146 1.00 0.00 N ATOM 483 CA GLU A 59 -18.523 5.325 20.524 1.00 0.00 C ATOM 484 C GLU A 59 -17.952 6.685 20.118 1.00 0.00 C ATOM 485 O GLU A 59 -18.643 7.517 19.563 1.00 0.00 O ATOM 486 CB GLU A 59 -18.659 4.437 19.284 1.00 0.00 C ATOM 487 CG GLU A 59 -17.267 4.074 18.761 1.00 0.00 C ATOM 488 CD GLU A 59 -16.825 2.742 19.371 1.00 0.00 C ATOM 489 OE1 GLU A 59 -16.685 2.684 20.581 1.00 0.00 O ATOM 490 OE2 GLU A 59 -16.632 1.803 18.615 1.00 0.00 O ATOM 0 H GLU A 59 -20.646 5.126 20.618 1.00 0.00 H new ATOM 0 HA GLU A 59 -17.853 4.849 21.240 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.214 3.532 19.531 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -19.225 4.957 18.511 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -17.283 4.001 17.674 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.554 4.858 19.017 1.00 0.00 H new ATOM 491 N ASP A 60 -16.692 6.915 20.393 1.00 0.00 N ATOM 492 CA ASP A 60 -16.064 8.221 20.029 1.00 0.00 C ATOM 493 C ASP A 60 -16.101 8.406 18.513 1.00 0.00 C ATOM 494 O ASP A 60 -16.689 7.623 17.793 1.00 0.00 O ATOM 495 CB ASP A 60 -14.608 8.250 20.505 1.00 0.00 C ATOM 496 CG ASP A 60 -13.889 6.970 20.067 1.00 0.00 C ATOM 497 OD1 ASP A 60 -14.092 6.558 18.936 1.00 0.00 O ATOM 498 OD2 ASP A 60 -13.148 6.426 20.868 1.00 0.00 O ATOM 0 H ASP A 60 -16.070 6.252 20.855 1.00 0.00 H new ATOM 0 HA ASP A 60 -16.619 9.027 20.510 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.099 9.122 20.094 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.573 8.343 21.590 1.00 0.00 H new ATOM 499 N VAL A 61 -15.470 9.443 18.032 1.00 0.00 N ATOM 500 CA VAL A 61 -15.452 9.703 16.561 1.00 0.00 C ATOM 501 C VAL A 61 -14.007 9.932 16.074 1.00 0.00 C ATOM 502 O VAL A 61 -13.783 10.220 14.913 1.00 0.00 O ATOM 503 CB VAL A 61 -16.315 10.938 16.261 1.00 0.00 C ATOM 504 CG1 VAL A 61 -15.742 12.163 16.980 1.00 0.00 C ATOM 505 CG2 VAL A 61 -16.343 11.199 14.750 1.00 0.00 C ATOM 0 H VAL A 61 -14.963 10.125 18.596 1.00 0.00 H new ATOM 0 HA VAL A 61 -15.856 8.838 16.035 1.00 0.00 H new ATOM 0 HB VAL A 61 -17.329 10.754 16.615 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -16.359 13.035 16.762 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -15.734 11.983 18.055 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -14.724 12.344 16.635 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -16.957 12.076 14.544 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -15.328 11.374 14.392 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -16.764 10.333 14.239 1.00 0.00 H new ATOM 506 N GLY A 62 -13.027 9.810 16.943 1.00 0.00 N ATOM 507 CA GLY A 62 -11.612 10.023 16.515 1.00 0.00 C ATOM 508 C GLY A 62 -11.118 11.372 17.040 1.00 0.00 C ATOM 509 O GLY A 62 -11.143 12.366 16.341 1.00 0.00 O ATOM 0 H GLY A 62 -13.150 9.572 17.927 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.981 9.220 16.895 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.542 9.996 15.428 1.00 0.00 H new ATOM 510 N HIS A 63 -10.666 11.409 18.269 1.00 0.00 N ATOM 511 CA HIS A 63 -10.165 12.689 18.849 1.00 0.00 C ATOM 512 C HIS A 63 -8.642 12.630 18.977 1.00 0.00 C ATOM 513 O HIS A 63 -7.929 13.404 18.367 1.00 0.00 O ATOM 514 CB HIS A 63 -10.784 12.898 20.233 1.00 0.00 C ATOM 515 CG HIS A 63 -10.431 14.269 20.739 1.00 0.00 C ATOM 516 ND1 HIS A 63 -10.360 15.371 19.902 1.00 0.00 N ATOM 517 CD2 HIS A 63 -10.125 14.734 21.994 1.00 0.00 C ATOM 518 CE1 HIS A 63 -10.024 16.433 20.656 1.00 0.00 C ATOM 519 NE2 HIS A 63 -9.868 16.100 21.941 1.00 0.00 N ATOM 0 H HIS A 63 -10.623 10.605 18.895 1.00 0.00 H new ATOM 0 HA HIS A 63 -10.443 13.517 18.196 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -11.867 12.786 20.179 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -10.419 12.139 20.925 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -10.089 14.130 22.888 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -9.896 17.433 20.270 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -9.615 16.714 22.715 1.00 0.00 H new ATOM 520 N SER A 64 -8.140 11.713 19.766 1.00 0.00 N ATOM 521 CA SER A 64 -6.663 11.594 19.941 1.00 0.00 C ATOM 522 C SER A 64 -6.328 10.221 20.530 1.00 0.00 C ATOM 523 O SER A 64 -5.362 10.067 21.254 1.00 0.00 O ATOM 524 CB SER A 64 -6.172 12.688 20.889 1.00 0.00 C ATOM 525 OG SER A 64 -5.784 13.827 20.131 1.00 0.00 O ATOM 0 H SER A 64 -8.693 11.040 20.297 1.00 0.00 H new ATOM 0 HA SER A 64 -6.173 11.704 18.974 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.960 12.956 21.593 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.330 12.324 21.477 1.00 0.00 H new ATOM 0 HG SER A 64 -6.410 13.954 19.388 1.00 0.00 H new ATOM 526 N THR A 65 -7.121 9.226 20.221 1.00 0.00 N ATOM 527 CA THR A 65 -6.858 7.858 20.758 1.00 0.00 C ATOM 528 C THR A 65 -6.365 6.953 19.628 1.00 0.00 C ATOM 529 O THR A 65 -5.595 6.039 19.848 1.00 0.00 O ATOM 530 CB THR A 65 -8.149 7.285 21.345 1.00 0.00 C ATOM 531 OG1 THR A 65 -8.777 8.268 22.156 1.00 0.00 O ATOM 532 CG2 THR A 65 -7.825 6.054 22.193 1.00 0.00 C ATOM 0 H THR A 65 -7.941 9.303 19.619 1.00 0.00 H new ATOM 0 HA THR A 65 -6.098 7.913 21.537 1.00 0.00 H new ATOM 0 HB THR A 65 -8.820 6.999 20.535 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.605 7.902 22.531 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.746 5.647 22.610 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.344 5.299 21.570 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.153 6.337 23.003 1.00 0.00 H new ATOM 533 N ASP A 66 -6.806 7.204 18.420 1.00 0.00 N ATOM 534 CA ASP A 66 -6.375 6.368 17.257 1.00 0.00 C ATOM 535 C ASP A 66 -6.826 4.912 17.470 1.00 0.00 C ATOM 536 O ASP A 66 -7.909 4.535 17.059 1.00 0.00 O ATOM 537 CB ASP A 66 -4.849 6.444 17.102 1.00 0.00 C ATOM 538 CG ASP A 66 -4.491 7.542 16.098 1.00 0.00 C ATOM 539 OD1 ASP A 66 -4.857 8.679 16.338 1.00 0.00 O ATOM 540 OD2 ASP A 66 -3.855 7.225 15.106 1.00 0.00 O ATOM 0 H ASP A 66 -7.452 7.959 18.188 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.837 6.746 16.345 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.385 6.653 18.066 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.459 5.485 16.762 1.00 0.00 H new ATOM 541 N ALA A 67 -6.018 4.087 18.103 1.00 0.00 N ATOM 542 CA ALA A 67 -6.418 2.668 18.329 1.00 0.00 C ATOM 543 C ALA A 67 -7.343 2.585 19.546 1.00 0.00 C ATOM 544 O ALA A 67 -7.167 3.295 20.518 1.00 0.00 O ATOM 545 CB ALA A 67 -5.169 1.819 18.579 1.00 0.00 C ATOM 0 H ALA A 67 -5.101 4.341 18.470 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.941 2.294 17.449 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.461 0.782 18.744 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.510 1.877 17.712 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.645 2.193 19.459 1.00 0.00 H new ATOM 546 N ARG A 68 -8.327 1.721 19.498 1.00 0.00 N ATOM 547 CA ARG A 68 -9.273 1.580 20.646 1.00 0.00 C ATOM 548 C ARG A 68 -9.983 2.914 20.898 1.00 0.00 C ATOM 549 O ARG A 68 -9.807 3.867 20.163 1.00 0.00 O ATOM 550 CB ARG A 68 -8.502 1.169 21.903 1.00 0.00 C ATOM 551 CG ARG A 68 -7.669 -0.080 21.606 1.00 0.00 C ATOM 552 CD ARG A 68 -6.859 -0.461 22.845 1.00 0.00 C ATOM 553 NE ARG A 68 -5.963 -1.607 22.521 1.00 0.00 N ATOM 554 CZ ARG A 68 -5.929 -2.650 23.303 1.00 0.00 C ATOM 555 NH1 ARG A 68 -6.747 -3.646 23.098 1.00 0.00 N ATOM 556 NH2 ARG A 68 -5.078 -2.698 24.291 1.00 0.00 N ATOM 0 H ARG A 68 -8.516 1.104 18.708 1.00 0.00 H new ATOM 0 HA ARG A 68 -10.012 0.815 20.407 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.853 1.983 22.227 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.196 0.970 22.720 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.321 -0.904 21.317 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.001 0.107 20.765 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.269 0.391 23.183 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.529 -0.729 23.662 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.376 -1.576 21.687 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.413 -3.609 22.326 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.720 -4.462 23.710 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.439 -1.919 24.452 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.052 -3.514 24.902 1.00 0.00 H new ATOM 557 N GLU A 69 -10.785 2.982 21.931 1.00 0.00 N ATOM 558 CA GLU A 69 -11.512 4.249 22.241 1.00 0.00 C ATOM 559 C GLU A 69 -10.945 4.856 23.524 1.00 0.00 C ATOM 560 O GLU A 69 -10.038 4.314 24.128 1.00 0.00 O ATOM 561 CB GLU A 69 -13.005 3.960 22.440 1.00 0.00 C ATOM 562 CG GLU A 69 -13.532 3.084 21.299 1.00 0.00 C ATOM 563 CD GLU A 69 -13.428 3.846 19.976 1.00 0.00 C ATOM 564 OE1 GLU A 69 -12.315 4.119 19.558 1.00 0.00 O ATOM 565 OE2 GLU A 69 -14.464 4.140 19.402 1.00 0.00 O ATOM 0 H GLU A 69 -10.967 2.212 22.574 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.386 4.945 21.412 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.161 3.459 23.395 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.562 4.896 22.476 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.959 2.159 21.243 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.569 2.806 21.490 1.00 0.00 H new ATOM 566 N LEU A 70 -11.483 5.972 23.952 1.00 0.00 N ATOM 567 CA LEU A 70 -10.990 6.617 25.206 1.00 0.00 C ATOM 568 C LEU A 70 -11.186 5.659 26.390 1.00 0.00 C ATOM 569 O LEU A 70 -10.527 5.774 27.402 1.00 0.00 O ATOM 570 CB LEU A 70 -11.784 7.903 25.464 1.00 0.00 C ATOM 571 CG LEU A 70 -10.872 8.977 26.074 1.00 0.00 C ATOM 572 CD1 LEU A 70 -11.679 10.256 26.304 1.00 0.00 C ATOM 573 CD2 LEU A 70 -10.312 8.487 27.415 1.00 0.00 C ATOM 0 H LEU A 70 -12.244 6.464 23.485 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.931 6.852 25.098 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.213 8.267 24.531 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.616 7.696 26.138 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.047 9.176 25.390 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.034 11.020 26.737 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.075 10.612 25.353 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.504 10.048 26.986 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.666 9.254 27.842 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.135 8.283 28.100 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.737 7.575 27.257 1.00 0.00 H new ATOM 574 N SER A 71 -12.095 4.717 26.268 1.00 0.00 N ATOM 575 CA SER A 71 -12.354 3.746 27.379 1.00 0.00 C ATOM 576 C SER A 71 -11.044 3.105 27.858 1.00 0.00 C ATOM 577 O SER A 71 -10.601 2.106 27.325 1.00 0.00 O ATOM 578 CB SER A 71 -13.296 2.651 26.876 1.00 0.00 C ATOM 579 OG SER A 71 -12.836 2.181 25.616 1.00 0.00 O ATOM 0 H SER A 71 -12.672 4.580 25.438 1.00 0.00 H new ATOM 0 HA SER A 71 -12.806 4.281 28.214 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.334 1.830 27.592 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.310 3.041 26.784 1.00 0.00 H new ATOM 0 HG SER A 71 -11.886 1.947 25.681 1.00 0.00 H new ATOM 580 N LYS A 72 -10.431 3.678 28.863 1.00 0.00 N ATOM 581 CA LYS A 72 -9.152 3.124 29.396 1.00 0.00 C ATOM 582 C LYS A 72 -8.683 3.985 30.570 1.00 0.00 C ATOM 583 O LYS A 72 -8.209 3.481 31.571 1.00 0.00 O ATOM 584 CB LYS A 72 -8.082 3.144 28.298 1.00 0.00 C ATOM 585 CG LYS A 72 -6.819 2.445 28.803 1.00 0.00 C ATOM 586 CD LYS A 72 -6.966 0.932 28.625 1.00 0.00 C ATOM 587 CE LYS A 72 -5.591 0.309 28.386 1.00 0.00 C ATOM 588 NZ LYS A 72 -5.751 -0.994 27.681 1.00 0.00 N ATOM 0 H LYS A 72 -10.767 4.514 29.341 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.312 2.098 29.727 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.454 2.644 27.404 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.854 4.172 28.017 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.948 2.803 28.254 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.654 2.684 29.854 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.426 0.494 29.511 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.625 0.717 27.784 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.973 0.982 27.792 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.078 0.160 29.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.815 -1.418 27.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.325 -1.636 28.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.224 -0.839 26.768 1.00 0.00 H new ATOM 589 N THR A 73 -8.806 5.284 30.451 1.00 0.00 N ATOM 590 CA THR A 73 -8.365 6.191 31.544 1.00 0.00 C ATOM 591 C THR A 73 -9.560 6.570 32.428 1.00 0.00 C ATOM 592 O THR A 73 -9.544 7.591 33.090 1.00 0.00 O ATOM 593 CB THR A 73 -7.762 7.458 30.931 1.00 0.00 C ATOM 594 OG1 THR A 73 -8.309 7.682 29.638 1.00 0.00 O ATOM 595 CG2 THR A 73 -6.246 7.301 30.821 1.00 0.00 C ATOM 0 H THR A 73 -9.197 5.754 29.635 1.00 0.00 H new ATOM 0 HA THR A 73 -7.619 5.683 32.155 1.00 0.00 H new ATOM 0 HB THR A 73 -7.997 8.309 31.571 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.919 8.495 29.254 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.817 8.203 30.385 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.824 7.142 31.813 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.014 6.446 30.187 1.00 0.00 H new ATOM 596 N TYR A 74 -10.588 5.759 32.451 1.00 0.00 N ATOM 597 CA TYR A 74 -11.776 6.073 33.301 1.00 0.00 C ATOM 598 C TYR A 74 -12.331 4.781 33.913 1.00 0.00 C ATOM 599 O TYR A 74 -13.487 4.717 34.288 1.00 0.00 O ATOM 600 CB TYR A 74 -12.864 6.733 32.448 1.00 0.00 C ATOM 601 CG TYR A 74 -12.400 8.099 31.988 1.00 0.00 C ATOM 602 CD1 TYR A 74 -12.212 9.126 32.920 1.00 0.00 C ATOM 603 CD2 TYR A 74 -12.163 8.337 30.628 1.00 0.00 C ATOM 604 CE1 TYR A 74 -11.785 10.389 32.493 1.00 0.00 C ATOM 605 CE2 TYR A 74 -11.736 9.600 30.203 1.00 0.00 C ATOM 606 CZ TYR A 74 -11.545 10.626 31.134 1.00 0.00 C ATOM 607 OH TYR A 74 -11.124 11.871 30.714 1.00 0.00 O ATOM 0 H TYR A 74 -10.655 4.892 31.917 1.00 0.00 H new ATOM 0 HA TYR A 74 -11.473 6.754 34.096 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -13.092 6.107 31.585 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -13.784 6.827 33.025 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -12.396 8.944 33.969 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -12.310 7.546 29.908 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -11.641 11.181 33.213 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -11.554 9.783 29.154 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.671 12.330 31.452 1.00 0.00 H new ATOM 608 N ILE A 75 -11.523 3.750 34.013 1.00 0.00 N ATOM 609 CA ILE A 75 -12.017 2.464 34.596 1.00 0.00 C ATOM 610 C ILE A 75 -11.606 2.379 36.068 1.00 0.00 C ATOM 611 O ILE A 75 -10.601 2.931 36.476 1.00 0.00 O ATOM 612 CB ILE A 75 -11.422 1.267 33.839 1.00 0.00 C ATOM 613 CG1 ILE A 75 -11.446 1.535 32.327 1.00 0.00 C ATOM 614 CG2 ILE A 75 -12.255 0.017 34.146 1.00 0.00 C ATOM 615 CD1 ILE A 75 -10.773 0.378 31.584 1.00 0.00 C ATOM 0 H ILE A 75 -10.547 3.745 33.717 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.103 2.437 34.509 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.390 1.116 34.157 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.475 1.649 31.985 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.931 2.470 32.106 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -11.839 -0.838 33.612 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -12.234 -0.180 35.218 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.285 0.178 33.826 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.793 0.573 30.512 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.739 0.284 31.917 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.307 -0.549 31.794 1.00 0.00 H new ATOM 616 N ILE A 76 -12.381 1.689 36.860 1.00 0.00 N ATOM 617 CA ILE A 76 -12.056 1.551 38.315 1.00 0.00 C ATOM 618 C ILE A 76 -11.715 0.096 38.633 1.00 0.00 C ATOM 619 O ILE A 76 -10.827 -0.183 39.418 1.00 0.00 O ATOM 620 CB ILE A 76 -13.247 1.981 39.194 1.00 0.00 C ATOM 621 CG1 ILE A 76 -14.586 1.709 38.487 1.00 0.00 C ATOM 622 CG2 ILE A 76 -13.131 3.472 39.506 1.00 0.00 C ATOM 623 CD1 ILE A 76 -15.690 1.517 39.525 1.00 0.00 C ATOM 0 H ILE A 76 -13.231 1.211 36.563 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.204 2.197 38.530 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.223 1.400 40.116 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -14.835 2.540 37.828 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.504 0.820 37.862 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -13.972 3.780 40.128 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.198 3.661 40.037 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -13.140 4.040 38.576 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -16.636 1.325 39.019 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -15.443 0.671 40.166 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -15.780 2.418 40.132 1.00 0.00 H new ATOM 624 N GLY A 77 -12.419 -0.830 38.038 1.00 0.00 N ATOM 625 CA GLY A 77 -12.145 -2.271 38.312 1.00 0.00 C ATOM 626 C GLY A 77 -12.860 -3.142 37.277 1.00 0.00 C ATOM 627 O GLY A 77 -12.897 -2.820 36.104 1.00 0.00 O ATOM 0 H GLY A 77 -13.172 -0.651 37.374 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.072 -2.459 38.279 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.484 -2.530 39.315 1.00 0.00 H new ATOM 628 N GLU A 78 -13.426 -4.244 37.705 1.00 0.00 N ATOM 629 CA GLU A 78 -14.135 -5.141 36.748 1.00 0.00 C ATOM 630 C GLU A 78 -15.508 -5.532 37.311 1.00 0.00 C ATOM 631 O GLU A 78 -15.924 -5.059 38.353 1.00 0.00 O ATOM 632 CB GLU A 78 -13.304 -6.405 36.519 1.00 0.00 C ATOM 633 CG GLU A 78 -12.123 -6.077 35.602 1.00 0.00 C ATOM 634 CD GLU A 78 -11.625 -7.359 34.933 1.00 0.00 C ATOM 635 OE1 GLU A 78 -12.447 -8.076 34.385 1.00 0.00 O ATOM 636 OE2 GLU A 78 -10.430 -7.604 34.979 1.00 0.00 O ATOM 0 H GLU A 78 -13.426 -4.559 38.675 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.271 -4.614 35.804 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.943 -6.793 37.471 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.922 -7.183 36.071 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.426 -5.354 34.845 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.319 -5.618 36.177 1.00 0.00 H new ATOM 637 N LEU A 79 -16.207 -6.395 36.621 1.00 0.00 N ATOM 638 CA LEU A 79 -17.552 -6.835 37.092 1.00 0.00 C ATOM 639 C LEU A 79 -17.404 -8.135 37.889 1.00 0.00 C ATOM 640 O LEU A 79 -16.562 -8.962 37.592 1.00 0.00 O ATOM 641 CB LEU A 79 -18.456 -7.064 35.876 1.00 0.00 C ATOM 642 CG LEU A 79 -19.864 -7.482 36.333 1.00 0.00 C ATOM 643 CD1 LEU A 79 -20.917 -6.678 35.565 1.00 0.00 C ATOM 644 CD2 LEU A 79 -20.067 -8.974 36.057 1.00 0.00 C ATOM 0 H LEU A 79 -15.900 -6.817 35.744 1.00 0.00 H new ATOM 0 HA LEU A 79 -17.995 -6.072 37.732 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -18.514 -6.153 35.280 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -18.029 -7.836 35.236 1.00 0.00 H new ATOM 0 HG LEU A 79 -19.968 -7.288 37.401 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -21.913 -6.977 35.892 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -20.776 -5.615 35.759 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -20.813 -6.869 34.497 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -21.064 -9.271 36.380 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.960 -9.164 34.989 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.321 -9.550 36.605 1.00 0.00 H new ATOM 645 N HIS A 80 -18.216 -8.318 38.902 1.00 0.00 N ATOM 646 CA HIS A 80 -18.124 -9.559 39.728 1.00 0.00 C ATOM 647 C HIS A 80 -18.697 -10.752 38.933 1.00 0.00 C ATOM 648 O HIS A 80 -19.667 -10.590 38.221 1.00 0.00 O ATOM 649 CB HIS A 80 -18.923 -9.365 41.018 1.00 0.00 C ATOM 650 CG HIS A 80 -18.429 -10.328 42.058 1.00 0.00 C ATOM 651 ND1 HIS A 80 -19.208 -11.378 42.517 1.00 0.00 N ATOM 652 CD2 HIS A 80 -17.232 -10.431 42.724 1.00 0.00 C ATOM 653 CE1 HIS A 80 -18.481 -12.064 43.414 1.00 0.00 C ATOM 654 NE2 HIS A 80 -17.270 -11.527 43.578 1.00 0.00 N ATOM 0 H HIS A 80 -18.939 -7.659 39.192 1.00 0.00 H new ATOM 0 HA HIS A 80 -17.081 -9.761 39.973 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -18.816 -8.341 41.375 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -19.984 -9.528 40.830 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -16.392 -9.764 42.603 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -18.832 -12.941 43.937 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -16.529 -11.852 44.199 1.00 0.00 H new ATOM 655 N PRO A 81 -18.085 -11.919 39.060 1.00 0.00 N ATOM 656 CA PRO A 81 -18.524 -13.157 38.336 1.00 0.00 C ATOM 657 C PRO A 81 -19.663 -13.884 39.074 1.00 0.00 C ATOM 658 O PRO A 81 -20.196 -14.858 38.580 1.00 0.00 O ATOM 659 CB PRO A 81 -17.268 -14.018 38.317 1.00 0.00 C ATOM 660 CG PRO A 81 -16.399 -13.573 39.482 1.00 0.00 C ATOM 661 CD PRO A 81 -16.883 -12.190 39.926 1.00 0.00 C ATOM 0 HA PRO A 81 -18.918 -12.935 37.344 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -17.524 -15.073 38.409 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -16.735 -13.901 37.373 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -16.470 -14.285 40.305 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -15.351 -13.533 39.184 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -17.145 -12.181 40.984 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -16.111 -11.434 39.783 1.00 0.00 H new ATOM 662 N ASP A 82 -20.037 -13.434 40.250 1.00 0.00 N ATOM 663 CA ASP A 82 -21.136 -14.117 41.010 1.00 0.00 C ATOM 664 C ASP A 82 -22.386 -14.294 40.131 1.00 0.00 C ATOM 665 O ASP A 82 -23.198 -15.167 40.374 1.00 0.00 O ATOM 666 CB ASP A 82 -21.498 -13.289 42.249 1.00 0.00 C ATOM 667 CG ASP A 82 -21.964 -11.888 41.832 1.00 0.00 C ATOM 668 OD1 ASP A 82 -21.349 -11.316 40.947 1.00 0.00 O ATOM 669 OD2 ASP A 82 -22.928 -11.412 42.408 1.00 0.00 O ATOM 0 H ASP A 82 -19.629 -12.624 40.716 1.00 0.00 H new ATOM 0 HA ASP A 82 -20.782 -15.103 41.312 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -22.285 -13.789 42.813 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -20.634 -13.211 42.909 1.00 0.00 H new ATOM 670 N ASP A 83 -22.547 -13.473 39.120 1.00 0.00 N ATOM 671 CA ASP A 83 -23.751 -13.600 38.241 1.00 0.00 C ATOM 672 C ASP A 83 -23.340 -13.611 36.764 1.00 0.00 C ATOM 673 O ASP A 83 -23.907 -14.334 35.967 1.00 0.00 O ATOM 674 CB ASP A 83 -24.691 -12.420 38.498 1.00 0.00 C ATOM 675 CG ASP A 83 -25.679 -12.788 39.606 1.00 0.00 C ATOM 676 OD1 ASP A 83 -25.227 -13.181 40.670 1.00 0.00 O ATOM 677 OD2 ASP A 83 -26.870 -12.669 39.375 1.00 0.00 O ATOM 0 H ASP A 83 -21.901 -12.725 38.867 1.00 0.00 H new ATOM 0 HA ASP A 83 -24.258 -14.537 38.471 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -24.117 -11.540 38.786 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -25.230 -12.165 37.585 1.00 0.00 H new ATOM 678 N ARG A 84 -22.373 -12.809 36.387 1.00 0.00 N ATOM 679 CA ARG A 84 -21.947 -12.769 34.955 1.00 0.00 C ATOM 680 C ARG A 84 -21.253 -14.096 34.570 1.00 0.00 C ATOM 681 O ARG A 84 -21.917 -15.054 34.220 1.00 0.00 O ATOM 682 CB ARG A 84 -21.019 -11.562 34.739 1.00 0.00 C ATOM 683 CG ARG A 84 -20.563 -11.501 33.272 1.00 0.00 C ATOM 684 CD ARG A 84 -21.285 -10.359 32.552 1.00 0.00 C ATOM 685 NE ARG A 84 -21.582 -10.767 31.149 1.00 0.00 N ATOM 686 CZ ARG A 84 -20.725 -10.503 30.199 1.00 0.00 C ATOM 687 NH1 ARG A 84 -20.749 -9.343 29.603 1.00 0.00 N ATOM 688 NH2 ARG A 84 -19.847 -11.401 29.845 1.00 0.00 N ATOM 0 H ARG A 84 -21.862 -12.182 37.009 1.00 0.00 H new ATOM 0 HA ARG A 84 -22.818 -12.655 34.309 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -21.539 -10.642 35.005 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -20.152 -11.639 35.395 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -19.485 -11.350 33.223 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -20.775 -12.448 32.776 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -22.210 -10.112 33.074 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -20.666 -9.462 32.558 1.00 0.00 H new ATOM 0 HE ARG A 84 -22.453 -11.251 30.931 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -21.437 -8.642 29.879 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -20.080 -9.137 28.861 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -19.830 -12.309 30.310 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -19.178 -11.195 29.103 1.00 0.00 H new ATOM 689 N SER A 85 -19.938 -14.165 34.614 1.00 0.00 N ATOM 690 CA SER A 85 -19.239 -15.432 34.235 1.00 0.00 C ATOM 691 C SER A 85 -19.043 -16.315 35.468 1.00 0.00 C ATOM 692 O SER A 85 -19.601 -16.068 36.517 1.00 0.00 O ATOM 693 CB SER A 85 -17.876 -15.095 33.630 1.00 0.00 C ATOM 694 OG SER A 85 -17.038 -14.545 34.640 1.00 0.00 O ATOM 0 H SER A 85 -19.325 -13.400 34.895 1.00 0.00 H new ATOM 0 HA SER A 85 -19.845 -15.970 33.506 1.00 0.00 H new ATOM 0 HB2 SER A 85 -17.419 -15.991 33.210 1.00 0.00 H new ATOM 0 HB3 SER A 85 -17.994 -14.384 32.812 1.00 0.00 H new ATOM 0 HG SER A 85 -16.162 -14.329 34.257 1.00 0.00 H new ATOM 695 N LYS A 86 -18.245 -17.347 35.344 1.00 0.00 N ATOM 696 CA LYS A 86 -17.989 -18.266 36.496 1.00 0.00 C ATOM 697 C LYS A 86 -19.287 -18.985 36.877 1.00 0.00 C ATOM 698 O LYS A 86 -19.671 -19.031 38.032 1.00 0.00 O ATOM 699 CB LYS A 86 -17.465 -17.466 37.697 1.00 0.00 C ATOM 700 CG LYS A 86 -16.908 -18.428 38.753 1.00 0.00 C ATOM 701 CD LYS A 86 -15.389 -18.542 38.595 1.00 0.00 C ATOM 702 CE LYS A 86 -15.046 -19.800 37.789 1.00 0.00 C ATOM 703 NZ LYS A 86 -14.697 -20.907 38.725 1.00 0.00 N ATOM 0 H LYS A 86 -17.755 -17.594 34.484 1.00 0.00 H new ATOM 0 HA LYS A 86 -17.240 -19.003 36.207 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.687 -16.774 37.374 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -18.268 -16.866 38.125 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -17.154 -18.069 39.752 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -17.370 -19.409 38.645 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.999 -17.658 38.091 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.914 -18.586 39.575 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.893 -20.089 37.166 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.211 -19.599 37.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.464 -21.762 38.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.877 -20.629 39.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.507 -21.103 39.348 1.00 0.00 H new ATOM 704 N ILE A 87 -19.966 -19.547 35.909 1.00 0.00 N ATOM 705 CA ILE A 87 -21.243 -20.265 36.200 1.00 0.00 C ATOM 706 C ILE A 87 -21.368 -21.474 35.271 1.00 0.00 C ATOM 707 O ILE A 87 -21.510 -22.598 35.716 1.00 0.00 O ATOM 708 CB ILE A 87 -22.433 -19.323 35.974 1.00 0.00 C ATOM 709 CG1 ILE A 87 -22.137 -17.958 36.610 1.00 0.00 C ATOM 710 CG2 ILE A 87 -23.683 -19.928 36.616 1.00 0.00 C ATOM 711 CD1 ILE A 87 -23.278 -16.985 36.315 1.00 0.00 C ATOM 0 H ILE A 87 -19.690 -19.539 34.927 1.00 0.00 H new ATOM 0 HA ILE A 87 -21.241 -20.598 37.238 1.00 0.00 H new ATOM 0 HB ILE A 87 -22.598 -19.192 34.905 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -22.012 -18.069 37.687 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -21.200 -17.561 36.220 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -24.532 -19.262 36.458 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -23.892 -20.897 36.162 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -23.517 -20.057 37.686 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -23.059 -16.019 36.770 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -23.382 -16.863 35.237 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -24.207 -17.378 36.727 1.00 0.00 H new ATOM 712 N ALA A 88 -21.317 -21.248 33.981 1.00 0.00 N ATOM 713 CA ALA A 88 -21.431 -22.378 33.009 1.00 0.00 C ATOM 714 C ALA A 88 -20.040 -22.932 32.666 1.00 0.00 C ATOM 715 O ALA A 88 -19.859 -23.559 31.638 1.00 0.00 O ATOM 716 CB ALA A 88 -22.106 -21.879 31.731 1.00 0.00 C ATOM 0 H ALA A 88 -21.201 -20.327 33.559 1.00 0.00 H new ATOM 0 HA ALA A 88 -22.026 -23.173 33.459 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -22.191 -22.701 31.020 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -23.100 -21.501 31.969 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -21.509 -21.080 31.292 1.00 0.00 H new ATOM 717 N LYS A 89 -19.056 -22.708 33.509 1.00 0.00 N ATOM 718 CA LYS A 89 -17.682 -23.223 33.223 1.00 0.00 C ATOM 719 C LYS A 89 -17.170 -22.630 31.898 1.00 0.00 C ATOM 720 O LYS A 89 -17.276 -23.263 30.866 1.00 0.00 O ATOM 721 CB LYS A 89 -17.716 -24.752 33.122 1.00 0.00 C ATOM 722 CG LYS A 89 -17.363 -25.362 34.481 1.00 0.00 C ATOM 723 CD LYS A 89 -18.646 -25.633 35.267 1.00 0.00 C ATOM 724 CE LYS A 89 -18.332 -26.536 36.462 1.00 0.00 C ATOM 725 NZ LYS A 89 -19.591 -26.839 37.200 1.00 0.00 N ATOM 0 H LYS A 89 -19.149 -22.190 34.383 1.00 0.00 H new ATOM 0 HA LYS A 89 -17.013 -22.929 34.031 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -18.706 -25.084 32.808 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.010 -25.093 32.364 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -16.806 -26.289 34.342 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -16.718 -24.684 35.040 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.079 -24.694 35.611 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -19.386 -26.108 34.623 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.867 -27.461 36.120 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.619 -26.046 37.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -19.378 -27.453 38.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -20.017 -25.953 37.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -20.257 -27.323 36.565 1.00 0.00 H new ATOM 726 N PRO A 90 -16.627 -21.428 31.956 1.00 0.00 N ATOM 727 CA PRO A 90 -16.085 -20.716 30.759 1.00 0.00 C ATOM 728 C PRO A 90 -14.649 -21.166 30.475 1.00 0.00 C ATOM 729 O PRO A 90 -14.187 -22.162 30.998 1.00 0.00 O ATOM 730 CB PRO A 90 -16.123 -19.251 31.170 1.00 0.00 C ATOM 731 CG PRO A 90 -16.089 -19.209 32.692 1.00 0.00 C ATOM 732 CD PRO A 90 -16.473 -20.601 33.205 1.00 0.00 C ATOM 0 HA PRO A 90 -16.651 -20.914 29.848 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -15.273 -18.712 30.751 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -17.024 -18.769 30.792 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -15.096 -18.932 33.045 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.782 -18.458 33.069 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -15.704 -21.010 33.860 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -17.399 -20.572 33.780 1.00 0.00 H new ATOM 733 N SER A 91 -13.941 -20.436 29.647 1.00 0.00 N ATOM 734 CA SER A 91 -12.531 -20.809 29.318 1.00 0.00 C ATOM 735 C SER A 91 -12.498 -22.203 28.686 1.00 0.00 C ATOM 736 O SER A 91 -13.462 -22.942 28.745 1.00 0.00 O ATOM 737 CB SER A 91 -11.686 -20.807 30.595 1.00 0.00 C ATOM 738 OG SER A 91 -11.075 -19.534 30.752 1.00 0.00 O ATOM 0 H SER A 91 -14.282 -19.594 29.183 1.00 0.00 H new ATOM 0 HA SER A 91 -12.125 -20.084 28.613 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.311 -21.032 31.459 1.00 0.00 H new ATOM 0 HB3 SER A 91 -10.924 -21.585 30.542 1.00 0.00 H new ATOM 0 HG SER A 91 -10.535 -19.529 31.570 1.00 0.00 H new ATOM 739 N GLU A 92 -11.394 -22.563 28.081 1.00 0.00 N ATOM 740 CA GLU A 92 -11.287 -23.907 27.441 1.00 0.00 C ATOM 741 C GLU A 92 -10.244 -24.744 28.182 1.00 0.00 C ATOM 742 O GLU A 92 -10.384 -25.944 28.321 1.00 0.00 O ATOM 743 CB GLU A 92 -10.866 -23.743 25.978 1.00 0.00 C ATOM 744 CG GLU A 92 -11.829 -22.787 25.274 1.00 0.00 C ATOM 745 CD GLU A 92 -11.356 -21.345 25.472 1.00 0.00 C ATOM 746 OE1 GLU A 92 -10.332 -20.996 24.911 1.00 0.00 O ATOM 747 OE2 GLU A 92 -12.027 -20.617 26.186 1.00 0.00 O ATOM 0 H GLU A 92 -10.560 -21.981 28.003 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.253 -24.409 27.487 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.848 -23.357 25.923 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.867 -24.711 25.477 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.878 -23.022 24.211 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.836 -22.909 25.674 1.00 0.00 H new ATOM 748 N THR A 93 -9.197 -24.116 28.658 1.00 0.00 N ATOM 749 CA THR A 93 -8.137 -24.867 29.392 1.00 0.00 C ATOM 750 C THR A 93 -8.358 -24.720 30.899 1.00 0.00 C ATOM 751 O THR A 93 -7.418 -24.641 31.668 1.00 0.00 O ATOM 752 CB THR A 93 -6.763 -24.302 29.021 1.00 0.00 C ATOM 753 OG1 THR A 93 -6.730 -24.020 27.630 1.00 0.00 O ATOM 754 CG2 THR A 93 -5.680 -25.327 29.362 1.00 0.00 C ATOM 0 H THR A 93 -9.032 -23.113 28.569 1.00 0.00 H new ATOM 0 HA THR A 93 -8.183 -25.921 29.119 1.00 0.00 H new ATOM 0 HB THR A 93 -6.582 -23.385 29.582 1.00 0.00 H new ATOM 0 HG1 THR A 93 -5.852 -23.657 27.391 1.00 0.00 H new ATOM 0 HG21 THR A 93 -4.702 -24.925 29.098 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.707 -25.543 30.430 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.858 -26.245 28.801 1.00 0.00 H new ATOM 755 N LEU A 94 -9.596 -24.683 31.323 1.00 0.00 N ATOM 756 CA LEU A 94 -9.891 -24.542 32.779 1.00 0.00 C ATOM 757 C LEU A 94 -10.220 -25.914 33.369 1.00 0.00 C ATOM 758 O LEU A 94 -10.952 -26.652 32.730 1.00 0.00 O ATOM 759 CB LEU A 94 -11.087 -23.606 32.969 1.00 0.00 C ATOM 760 CG LEU A 94 -11.046 -23.005 34.375 1.00 0.00 C ATOM 761 CD1 LEU A 94 -12.023 -21.832 34.458 1.00 0.00 C ATOM 762 CD2 LEU A 94 -11.446 -24.072 35.396 1.00 0.00 C ATOM 763 OXT LEU A 94 -9.731 -26.206 34.448 1.00 0.00 O ATOM 0 H LEU A 94 -10.417 -24.745 30.721 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.020 -24.128 33.287 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -11.064 -22.813 32.222 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -12.018 -24.154 32.823 1.00 0.00 H new ATOM 0 HG LEU A 94 -10.037 -22.653 34.590 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -11.993 -21.404 35.460 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -11.741 -21.071 33.730 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.032 -22.183 34.243 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -11.417 -23.645 36.399 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -12.455 -24.422 35.180 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.751 -24.910 35.338 1.00 0.00 H new TER 764 LEU A 94