USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=27 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 HE2:sc= -7.79! C(o=-15!,f=-21!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -6.94 K(o=-15,f=-17!) USER MOD Set 2.1: A 19 LYS NZ :NH3+ -125:sc= -0.154 (180deg=-1.47!) USER MOD Set 2.2: A 20 SER OG : rot 170:sc= -3.77! USER MOD Single : A 1 ASP N :NH3+ 140:sc= 0.0803 (180deg=-0.303) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 165:sc= -1.28 (180deg=-1.81) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -50:sc= -4.61 USER MOD Single : A 8 THR OG1 : rot -21:sc= 0.137 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS :FLIP no HD1:sc= -1.64 F(o=-2.9!,f=-1.6) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -7:sc= 1.13 USER MOD Single : A 21 THR OG1 : rot 160:sc= -0.239 USER MOD Single : A 26 HIS :FLIP no HD1:sc= -5.23! C(o=-5.9!,f=-5.2!) USER MOD Single : A 27 HIS : no HD1:sc= -2.57 X(o=-2.6,f=-2.8) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot -15:sc= -0.884 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.942 USER MOD Single : A 34 LYS NZ :NH3+ -163:sc= 0.715 (180deg=0.501) USER MOD Single : A 49 GLN : amide:sc= -0.804 X(o=-0.8,f=-1.3) USER MOD Single : A 55 THR OG1 : rot -170:sc= -0.786 USER MOD Single : A 57 ASN : amide:sc= -1.4 K(o=-1.4,f=-6.9!) USER MOD Single : A 64 SER OG : rot 40:sc= 0.818 USER MOD Single : A 65 THR OG1 : rot -47:sc= 0.789 USER MOD Single : A 71 SER OG : rot 58:sc= -0.704 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 83:sc= 0.638 USER MOD Single : A 74 TYR OH : rot -171:sc= -0.558 USER MOD Single : A 80 HIS : no HD1:sc= -4.22! C(o=-4.2!,f=-13!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0323) USER MOD Single : A 89 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0301) USER MOD Single : A 91 SER OG : rot 180:sc= 0.0387 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.274 -2.330 37.113 1.00 0.00 N ATOM 2 CA ASP A 1 0.358 -2.629 38.250 1.00 0.00 C ATOM 3 C ASP A 1 -0.703 -3.636 37.798 1.00 0.00 C ATOM 4 O ASP A 1 -0.761 -4.011 36.642 1.00 0.00 O ATOM 5 CB ASP A 1 -0.327 -1.339 38.708 1.00 0.00 C ATOM 6 CG ASP A 1 -1.005 -0.667 37.513 1.00 0.00 C ATOM 7 OD1 ASP A 1 -2.110 -1.063 37.184 1.00 0.00 O ATOM 8 OD2 ASP A 1 -0.405 0.232 36.946 1.00 0.00 O ATOM 0 H1 ASP A 1 1.502 -1.315 37.108 1.00 0.00 H new ATOM 0 H2 ASP A 1 2.150 -2.881 37.219 1.00 0.00 H new ATOM 0 H3 ASP A 1 0.811 -2.585 36.218 1.00 0.00 H new ATOM 0 HA ASP A 1 0.931 -3.049 39.077 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -1.064 -1.561 39.480 1.00 0.00 H new ATOM 0 HB3 ASP A 1 0.405 -0.664 39.151 1.00 0.00 H new ATOM 9 N LYS A 2 -1.538 -4.076 38.705 1.00 0.00 N ATOM 10 CA LYS A 2 -2.599 -5.059 38.339 1.00 0.00 C ATOM 11 C LYS A 2 -3.489 -5.324 39.555 1.00 0.00 C ATOM 12 O LYS A 2 -3.244 -6.231 40.328 1.00 0.00 O ATOM 13 CB LYS A 2 -1.947 -6.371 37.886 1.00 0.00 C ATOM 14 CG LYS A 2 -0.941 -6.848 38.943 1.00 0.00 C ATOM 15 CD LYS A 2 -1.433 -8.151 39.582 1.00 0.00 C ATOM 16 CE LYS A 2 -0.826 -9.344 38.841 1.00 0.00 C ATOM 17 NZ LYS A 2 -0.597 -10.460 39.801 1.00 0.00 N ATOM 0 H LYS A 2 -1.529 -3.795 39.686 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.204 -4.656 37.527 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.712 -7.132 37.730 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.442 -6.225 36.931 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.035 -7.004 38.484 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.815 -6.083 39.709 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.151 -8.181 40.634 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.521 -8.200 39.542 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.494 -9.668 38.043 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.114 -9.054 38.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.184 -11.271 39.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.056 -10.147 40.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.502 -10.742 40.228 1.00 0.00 H new ATOM 18 N ASP A 3 -4.522 -4.539 39.726 1.00 0.00 N ATOM 19 CA ASP A 3 -5.436 -4.736 40.889 1.00 0.00 C ATOM 20 C ASP A 3 -6.890 -4.653 40.417 1.00 0.00 C ATOM 21 O ASP A 3 -7.533 -3.625 40.537 1.00 0.00 O ATOM 22 CB ASP A 3 -5.173 -3.650 41.936 1.00 0.00 C ATOM 23 CG ASP A 3 -5.265 -2.271 41.278 1.00 0.00 C ATOM 24 OD1 ASP A 3 -4.410 -1.967 40.464 1.00 0.00 O ATOM 25 OD2 ASP A 3 -6.189 -1.542 41.601 1.00 0.00 O ATOM 0 H ASP A 3 -4.772 -3.768 39.107 1.00 0.00 H new ATOM 0 HA ASP A 3 -5.255 -5.716 41.331 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.899 -3.727 42.745 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.186 -3.788 42.378 1.00 0.00 H new ATOM 26 N VAL A 4 -7.411 -5.728 39.883 1.00 0.00 N ATOM 27 CA VAL A 4 -8.822 -5.722 39.400 1.00 0.00 C ATOM 28 C VAL A 4 -9.766 -5.910 40.597 1.00 0.00 C ATOM 29 O VAL A 4 -9.867 -6.985 41.158 1.00 0.00 O ATOM 30 CB VAL A 4 -9.007 -6.854 38.359 1.00 0.00 C ATOM 31 CG1 VAL A 4 -10.489 -7.209 38.166 1.00 0.00 C ATOM 32 CG2 VAL A 4 -8.444 -6.391 37.016 1.00 0.00 C ATOM 0 H VAL A 4 -6.917 -6.612 39.761 1.00 0.00 H new ATOM 0 HA VAL A 4 -9.057 -4.771 38.922 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.483 -7.737 38.725 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.579 -8.007 37.429 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.910 -7.543 39.115 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -11.031 -6.330 37.818 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.570 -7.182 36.277 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.976 -5.498 36.687 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -7.384 -6.162 37.125 1.00 0.00 H new ATOM 33 N LYS A 5 -10.469 -4.872 40.966 1.00 0.00 N ATOM 34 CA LYS A 5 -11.431 -4.976 42.101 1.00 0.00 C ATOM 35 C LYS A 5 -12.847 -5.010 41.526 1.00 0.00 C ATOM 36 O LYS A 5 -13.280 -4.081 40.870 1.00 0.00 O ATOM 37 CB LYS A 5 -11.278 -3.772 43.042 1.00 0.00 C ATOM 38 CG LYS A 5 -11.226 -2.468 42.233 1.00 0.00 C ATOM 39 CD LYS A 5 -9.780 -1.977 42.135 1.00 0.00 C ATOM 40 CE LYS A 5 -9.467 -1.067 43.324 1.00 0.00 C ATOM 41 NZ LYS A 5 -9.516 -1.862 44.583 1.00 0.00 N ATOM 0 H LYS A 5 -10.418 -3.952 40.528 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.233 -5.883 42.673 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.113 -3.741 43.742 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.369 -3.877 43.634 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.633 -2.632 41.235 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.846 -1.709 42.709 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.097 -2.826 42.124 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.631 -1.436 41.201 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.481 -0.618 43.203 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.186 -0.249 43.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.064 -1.325 45.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.507 -2.056 44.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.011 -2.761 44.446 1.00 0.00 H new ATOM 42 N TYR A 6 -13.564 -6.083 41.745 1.00 0.00 N ATOM 43 CA TYR A 6 -14.944 -6.189 41.189 1.00 0.00 C ATOM 44 C TYR A 6 -15.918 -5.396 42.059 1.00 0.00 C ATOM 45 O TYR A 6 -15.749 -5.286 43.259 1.00 0.00 O ATOM 46 CB TYR A 6 -15.371 -7.656 41.149 1.00 0.00 C ATOM 47 CG TYR A 6 -14.331 -8.463 40.404 1.00 0.00 C ATOM 48 CD1 TYR A 6 -14.294 -8.435 39.004 1.00 0.00 C ATOM 49 CD2 TYR A 6 -13.401 -9.235 41.112 1.00 0.00 C ATOM 50 CE1 TYR A 6 -13.328 -9.178 38.314 1.00 0.00 C ATOM 51 CE2 TYR A 6 -12.436 -9.977 40.422 1.00 0.00 C ATOM 52 CZ TYR A 6 -12.400 -9.949 39.023 1.00 0.00 C ATOM 53 OH TYR A 6 -11.448 -10.682 38.342 1.00 0.00 O ATOM 0 H TYR A 6 -13.252 -6.890 42.285 1.00 0.00 H new ATOM 0 HA TYR A 6 -14.953 -5.781 40.178 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -15.487 -8.040 42.163 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -16.340 -7.751 40.659 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -15.010 -7.840 38.457 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.429 -9.258 42.191 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -13.299 -9.156 37.235 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -11.719 -10.571 40.969 1.00 0.00 H new ATOM 0 HH TYR A 6 -10.882 -11.159 38.984 1.00 0.00 H new ATOM 54 N TYR A 7 -16.936 -4.840 41.454 1.00 0.00 N ATOM 55 CA TYR A 7 -17.934 -4.042 42.232 1.00 0.00 C ATOM 56 C TYR A 7 -19.328 -4.684 42.136 1.00 0.00 C ATOM 57 O TYR A 7 -20.299 -4.105 42.575 1.00 0.00 O ATOM 58 CB TYR A 7 -18.002 -2.614 41.673 1.00 0.00 C ATOM 59 CG TYR A 7 -16.605 -2.052 41.518 1.00 0.00 C ATOM 60 CD1 TYR A 7 -15.792 -1.868 42.644 1.00 0.00 C ATOM 61 CD2 TYR A 7 -16.123 -1.716 40.247 1.00 0.00 C ATOM 62 CE1 TYR A 7 -14.499 -1.347 42.496 1.00 0.00 C ATOM 63 CE2 TYR A 7 -14.832 -1.197 40.099 1.00 0.00 C ATOM 64 CZ TYR A 7 -14.020 -1.013 41.224 1.00 0.00 C ATOM 65 OH TYR A 7 -12.746 -0.502 41.078 1.00 0.00 O ATOM 0 H TYR A 7 -17.120 -4.904 40.453 1.00 0.00 H new ATOM 0 HA TYR A 7 -17.621 -4.019 43.276 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -18.511 -2.616 40.709 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -18.586 -1.981 42.341 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -16.161 -2.127 43.625 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -16.749 -1.858 39.379 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -13.872 -1.203 43.364 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -14.463 -0.939 39.118 1.00 0.00 H new ATOM 0 HH TYR A 7 -12.617 0.239 41.706 1.00 0.00 H new ATOM 66 N THR A 8 -19.431 -5.868 41.571 1.00 0.00 N ATOM 67 CA THR A 8 -20.762 -6.556 41.444 1.00 0.00 C ATOM 68 C THR A 8 -21.695 -5.730 40.550 1.00 0.00 C ATOM 69 O THR A 8 -21.856 -4.539 40.729 1.00 0.00 O ATOM 70 CB THR A 8 -21.416 -6.768 42.829 1.00 0.00 C ATOM 71 OG1 THR A 8 -22.108 -5.593 43.231 1.00 0.00 O ATOM 72 CG2 THR A 8 -20.353 -7.119 43.877 1.00 0.00 C ATOM 0 H THR A 8 -18.643 -6.392 41.189 1.00 0.00 H new ATOM 0 HA THR A 8 -20.596 -7.534 40.992 1.00 0.00 H new ATOM 0 HB THR A 8 -22.123 -7.594 42.750 1.00 0.00 H new ATOM 0 HG1 THR A 8 -21.759 -4.822 42.736 1.00 0.00 H new ATOM 0 HG21 THR A 8 -20.831 -7.265 44.846 1.00 0.00 H new ATOM 0 HG22 THR A 8 -19.841 -8.036 43.583 1.00 0.00 H new ATOM 0 HG23 THR A 8 -19.630 -6.307 43.948 1.00 0.00 H new ATOM 73 N LEU A 9 -22.314 -6.366 39.584 1.00 0.00 N ATOM 74 CA LEU A 9 -23.242 -5.630 38.672 1.00 0.00 C ATOM 75 C LEU A 9 -24.437 -5.100 39.470 1.00 0.00 C ATOM 76 O LEU A 9 -25.031 -4.098 39.115 1.00 0.00 O ATOM 77 CB LEU A 9 -23.745 -6.564 37.562 1.00 0.00 C ATOM 78 CG LEU A 9 -24.217 -7.899 38.163 1.00 0.00 C ATOM 79 CD1 LEU A 9 -25.548 -8.309 37.524 1.00 0.00 C ATOM 80 CD2 LEU A 9 -23.165 -8.990 37.902 1.00 0.00 C ATOM 0 H LEU A 9 -22.216 -7.362 39.389 1.00 0.00 H new ATOM 0 HA LEU A 9 -22.704 -4.796 38.221 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -24.565 -6.090 37.022 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -22.949 -6.744 36.839 1.00 0.00 H new ATOM 0 HG LEU A 9 -24.351 -7.779 39.238 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -25.881 -9.255 37.951 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -26.296 -7.541 37.717 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -25.415 -8.424 36.448 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -23.505 -9.933 38.330 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -23.023 -9.109 36.828 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -22.220 -8.702 38.363 1.00 0.00 H new ATOM 81 N GLU A 10 -24.789 -5.761 40.545 1.00 0.00 N ATOM 82 CA GLU A 10 -25.943 -5.295 41.371 1.00 0.00 C ATOM 83 C GLU A 10 -25.639 -3.906 41.936 1.00 0.00 C ATOM 84 O GLU A 10 -26.530 -3.105 42.147 1.00 0.00 O ATOM 85 CB GLU A 10 -26.171 -6.276 42.524 1.00 0.00 C ATOM 86 CG GLU A 10 -26.993 -7.467 42.028 1.00 0.00 C ATOM 87 CD GLU A 10 -28.482 -7.124 42.089 1.00 0.00 C ATOM 88 OE1 GLU A 10 -28.819 -5.984 41.812 1.00 0.00 O ATOM 89 OE2 GLU A 10 -29.260 -8.006 42.413 1.00 0.00 O ATOM 0 H GLU A 10 -24.326 -6.604 40.886 1.00 0.00 H new ATOM 0 HA GLU A 10 -26.838 -5.246 40.751 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -25.214 -6.620 42.917 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -26.691 -5.777 43.342 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -26.709 -7.717 41.006 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -26.786 -8.345 42.640 1.00 0.00 H new ATOM 90 N GLU A 11 -24.385 -3.617 42.177 1.00 0.00 N ATOM 91 CA GLU A 11 -24.010 -2.281 42.727 1.00 0.00 C ATOM 92 C GLU A 11 -23.890 -1.273 41.582 1.00 0.00 C ATOM 93 O GLU A 11 -24.134 -0.096 41.753 1.00 0.00 O ATOM 94 CB GLU A 11 -22.666 -2.390 43.452 1.00 0.00 C ATOM 95 CG GLU A 11 -22.648 -1.426 44.640 1.00 0.00 C ATOM 96 CD GLU A 11 -23.366 -2.067 45.829 1.00 0.00 C ATOM 97 OE1 GLU A 11 -24.584 -2.124 45.799 1.00 0.00 O ATOM 98 OE2 GLU A 11 -22.686 -2.488 46.750 1.00 0.00 O ATOM 0 H GLU A 11 -23.603 -4.252 42.016 1.00 0.00 H new ATOM 0 HA GLU A 11 -24.776 -1.947 43.426 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -22.508 -3.412 43.797 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -21.851 -2.155 42.767 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -21.620 -1.184 44.910 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -23.135 -0.489 44.369 1.00 0.00 H new ATOM 99 N ILE A 12 -23.513 -1.733 40.415 1.00 0.00 N ATOM 100 CA ILE A 12 -23.371 -0.810 39.249 1.00 0.00 C ATOM 101 C ILE A 12 -24.756 -0.398 38.732 1.00 0.00 C ATOM 102 O ILE A 12 -24.893 0.597 38.046 1.00 0.00 O ATOM 103 CB ILE A 12 -22.601 -1.515 38.130 1.00 0.00 C ATOM 104 CG1 ILE A 12 -21.276 -2.051 38.682 1.00 0.00 C ATOM 105 CG2 ILE A 12 -22.315 -0.523 37.001 1.00 0.00 C ATOM 106 CD1 ILE A 12 -20.572 -2.881 37.608 1.00 0.00 C ATOM 0 H ILE A 12 -23.297 -2.711 40.220 1.00 0.00 H new ATOM 0 HA ILE A 12 -22.828 0.080 39.565 1.00 0.00 H new ATOM 0 HB ILE A 12 -23.198 -2.342 37.745 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -20.638 -1.223 38.993 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -21.459 -2.662 39.566 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -21.767 -1.026 36.205 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -23.256 -0.139 36.607 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -21.718 0.304 37.386 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -19.630 -3.262 38.002 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -21.209 -3.717 37.319 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -20.375 -2.257 36.737 1.00 0.00 H new ATOM 107 N GLN A 13 -25.782 -1.153 39.050 1.00 0.00 N ATOM 108 CA GLN A 13 -27.154 -0.802 38.571 1.00 0.00 C ATOM 109 C GLN A 13 -27.867 0.098 39.592 1.00 0.00 C ATOM 110 O GLN A 13 -29.079 0.194 39.594 1.00 0.00 O ATOM 111 CB GLN A 13 -27.965 -2.084 38.375 1.00 0.00 C ATOM 112 CG GLN A 13 -27.719 -2.636 36.971 1.00 0.00 C ATOM 113 CD GLN A 13 -28.070 -4.125 36.938 1.00 0.00 C ATOM 114 OE1 GLN A 13 -29.070 -4.537 37.490 1.00 0.00 O ATOM 115 NE2 GLN A 13 -27.285 -4.954 36.306 1.00 0.00 N ATOM 0 H GLN A 13 -25.726 -1.997 39.621 1.00 0.00 H new ATOM 0 HA GLN A 13 -27.070 -0.265 37.626 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -27.681 -2.824 39.123 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -29.026 -1.880 38.516 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -28.323 -2.093 36.244 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -26.676 -2.491 36.690 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -26.445 -4.608 35.842 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -27.511 -5.948 36.276 1.00 0.00 H new ATOM 116 N LYS A 14 -27.131 0.760 40.454 1.00 0.00 N ATOM 117 CA LYS A 14 -27.774 1.651 41.465 1.00 0.00 C ATOM 118 C LYS A 14 -27.195 3.062 41.339 1.00 0.00 C ATOM 119 O LYS A 14 -27.102 3.791 42.309 1.00 0.00 O ATOM 120 CB LYS A 14 -27.502 1.110 42.870 1.00 0.00 C ATOM 121 CG LYS A 14 -28.695 1.415 43.777 1.00 0.00 C ATOM 122 CD LYS A 14 -29.854 0.479 43.428 1.00 0.00 C ATOM 123 CE LYS A 14 -31.182 1.192 43.684 1.00 0.00 C ATOM 124 NZ LYS A 14 -32.306 0.335 43.209 1.00 0.00 N ATOM 0 H LYS A 14 -26.113 0.720 40.499 1.00 0.00 H new ATOM 0 HA LYS A 14 -28.850 1.682 41.292 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -27.329 0.035 42.829 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -26.598 1.563 43.277 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -28.413 1.288 44.822 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -29.003 2.453 43.654 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -29.788 0.175 42.383 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -29.795 -0.429 44.028 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -31.295 1.402 44.748 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -31.198 2.151 43.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -33.210 0.820 43.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -32.200 0.156 42.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -32.294 -0.569 43.722 1.00 0.00 H new ATOM 125 N HIS A 15 -26.805 3.448 40.151 1.00 0.00 N ATOM 126 CA HIS A 15 -26.229 4.811 39.951 1.00 0.00 C ATOM 127 C HIS A 15 -27.067 5.574 38.923 1.00 0.00 C ATOM 128 O HIS A 15 -26.561 6.413 38.200 1.00 0.00 O ATOM 129 CB HIS A 15 -24.791 4.686 39.443 1.00 0.00 C ATOM 130 CG HIS A 15 -23.867 4.454 40.605 1.00 0.00 C ATOM 131 ND1 HIS A 15 -23.912 3.566 41.651 1.00 0.00 N flip ATOM 132 CD2 HIS A 15 -22.712 5.199 40.789 1.00 0.00 C flip ATOM 133 CE1 HIS A 15 -22.803 3.754 42.473 1.00 0.00 C flip ATOM 134 NE2 HIS A 15 -22.114 4.748 41.908 1.00 0.00 N flip ATOM 0 H HIS A 15 -26.861 2.876 39.309 1.00 0.00 H new ATOM 0 HA HIS A 15 -26.236 5.351 40.898 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -24.715 3.862 38.734 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -24.502 5.592 38.910 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -22.357 5.995 40.151 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -22.554 3.212 43.374 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -21.240 5.121 42.279 1.00 0.00 H new ATOM 135 N LYS A 16 -28.342 5.288 38.853 1.00 0.00 N ATOM 136 CA LYS A 16 -29.221 5.992 37.874 1.00 0.00 C ATOM 137 C LYS A 16 -30.264 6.820 38.628 1.00 0.00 C ATOM 138 O LYS A 16 -31.411 6.902 38.227 1.00 0.00 O ATOM 139 CB LYS A 16 -29.926 4.961 36.989 1.00 0.00 C ATOM 140 CG LYS A 16 -28.996 4.548 35.845 1.00 0.00 C ATOM 141 CD LYS A 16 -28.972 5.649 34.784 1.00 0.00 C ATOM 142 CE LYS A 16 -27.590 5.698 34.129 1.00 0.00 C ATOM 143 NZ LYS A 16 -27.584 4.827 32.919 1.00 0.00 N ATOM 0 H LYS A 16 -28.813 4.595 39.434 1.00 0.00 H new ATOM 0 HA LYS A 16 -28.617 6.652 37.251 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -30.203 4.088 37.580 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -30.849 5.381 36.588 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -27.990 4.373 36.225 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -29.338 3.611 35.405 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -29.736 5.459 34.031 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -29.205 6.612 35.239 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -27.342 6.723 33.854 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -26.829 5.364 34.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -26.645 4.859 32.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -27.803 3.848 33.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -28.300 5.165 32.244 1.00 0.00 H new ATOM 144 N ASP A 17 -29.872 7.432 39.717 1.00 0.00 N ATOM 145 CA ASP A 17 -30.834 8.257 40.505 1.00 0.00 C ATOM 146 C ASP A 17 -30.133 9.518 41.014 1.00 0.00 C ATOM 147 O ASP A 17 -30.474 10.050 42.054 1.00 0.00 O ATOM 148 CB ASP A 17 -31.346 7.443 41.696 1.00 0.00 C ATOM 149 CG ASP A 17 -32.585 6.651 41.277 1.00 0.00 C ATOM 150 OD1 ASP A 17 -33.489 7.251 40.719 1.00 0.00 O ATOM 151 OD2 ASP A 17 -32.610 5.456 41.520 1.00 0.00 O ATOM 0 H ASP A 17 -28.925 7.395 40.094 1.00 0.00 H new ATOM 0 HA ASP A 17 -31.672 8.541 39.869 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -30.569 6.764 42.047 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -31.589 8.106 42.526 1.00 0.00 H new ATOM 152 N SER A 18 -29.155 10.000 40.287 1.00 0.00 N ATOM 153 CA SER A 18 -28.429 11.229 40.723 1.00 0.00 C ATOM 154 C SER A 18 -27.696 11.844 39.524 1.00 0.00 C ATOM 155 O SER A 18 -28.165 12.795 38.927 1.00 0.00 O ATOM 156 CB SER A 18 -27.423 10.866 41.817 1.00 0.00 C ATOM 157 OG SER A 18 -28.126 10.505 42.999 1.00 0.00 O ATOM 0 H SER A 18 -28.829 9.594 39.410 1.00 0.00 H new ATOM 0 HA SER A 18 -29.142 11.954 41.117 1.00 0.00 H new ATOM 0 HB2 SER A 18 -26.793 10.040 41.488 1.00 0.00 H new ATOM 0 HB3 SER A 18 -26.763 11.711 42.016 1.00 0.00 H new ATOM 0 HG SER A 18 -29.083 10.673 42.874 1.00 0.00 H new ATOM 158 N LYS A 19 -26.553 11.308 39.168 1.00 0.00 N ATOM 159 CA LYS A 19 -25.789 11.859 38.010 1.00 0.00 C ATOM 160 C LYS A 19 -24.539 11.009 37.770 1.00 0.00 C ATOM 161 O LYS A 19 -24.409 10.352 36.755 1.00 0.00 O ATOM 162 CB LYS A 19 -25.369 13.301 38.312 1.00 0.00 C ATOM 163 CG LYS A 19 -24.727 13.917 37.069 1.00 0.00 C ATOM 164 CD LYS A 19 -24.135 15.284 37.424 1.00 0.00 C ATOM 165 CE LYS A 19 -22.690 15.107 37.894 1.00 0.00 C ATOM 166 NZ LYS A 19 -22.664 14.957 39.375 1.00 0.00 N ATOM 0 H LYS A 19 -26.117 10.511 39.632 1.00 0.00 H new ATOM 0 HA LYS A 19 -26.420 11.841 37.121 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -26.236 13.888 38.615 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -24.666 13.319 39.144 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -23.947 13.259 36.686 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -25.470 14.025 36.278 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -24.168 15.943 36.557 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -24.728 15.757 38.207 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -22.248 14.230 37.421 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -22.091 15.967 37.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -22.026 15.669 39.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -23.623 15.092 39.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -22.325 14.005 39.622 1.00 0.00 H new ATOM 167 N SER A 20 -23.619 11.020 38.702 1.00 0.00 N ATOM 168 CA SER A 20 -22.370 10.216 38.541 1.00 0.00 C ATOM 169 C SER A 20 -22.721 8.730 38.458 1.00 0.00 C ATOM 170 O SER A 20 -23.368 8.188 39.335 1.00 0.00 O ATOM 171 CB SER A 20 -21.455 10.456 39.743 1.00 0.00 C ATOM 172 OG SER A 20 -21.177 11.846 39.852 1.00 0.00 O ATOM 0 H SER A 20 -23.680 11.553 39.570 1.00 0.00 H new ATOM 0 HA SER A 20 -21.860 10.518 37.626 1.00 0.00 H new ATOM 0 HB2 SER A 20 -21.932 10.096 40.655 1.00 0.00 H new ATOM 0 HB3 SER A 20 -20.527 9.896 39.626 1.00 0.00 H new ATOM 0 HG SER A 20 -20.729 12.024 40.705 1.00 0.00 H new ATOM 173 N THR A 21 -22.297 8.069 37.410 1.00 0.00 N ATOM 174 CA THR A 21 -22.603 6.616 37.264 1.00 0.00 C ATOM 175 C THR A 21 -21.473 5.929 36.486 1.00 0.00 C ATOM 176 O THR A 21 -20.536 6.569 36.030 1.00 0.00 O ATOM 177 CB THR A 21 -23.942 6.453 36.524 1.00 0.00 C ATOM 178 OG1 THR A 21 -24.302 5.080 36.489 1.00 0.00 O ATOM 179 CG2 THR A 21 -23.830 6.988 35.094 1.00 0.00 C ATOM 0 H THR A 21 -21.752 8.475 36.649 1.00 0.00 H new ATOM 0 HA THR A 21 -22.682 6.152 38.247 1.00 0.00 H new ATOM 0 HB THR A 21 -24.707 7.020 37.054 1.00 0.00 H new ATOM 0 HG1 THR A 21 -25.264 4.998 36.320 1.00 0.00 H new ATOM 0 HG21 THR A 21 -24.785 6.865 34.584 1.00 0.00 H new ATOM 0 HG22 THR A 21 -23.566 8.045 35.121 1.00 0.00 H new ATOM 0 HG23 THR A 21 -23.059 6.435 34.558 1.00 0.00 H new ATOM 180 N TRP A 22 -21.550 4.630 36.333 1.00 0.00 N ATOM 181 CA TRP A 22 -20.482 3.901 35.586 1.00 0.00 C ATOM 182 C TRP A 22 -21.121 3.087 34.459 1.00 0.00 C ATOM 183 O TRP A 22 -22.313 2.843 34.456 1.00 0.00 O ATOM 184 CB TRP A 22 -19.699 2.937 36.507 1.00 0.00 C ATOM 185 CG TRP A 22 -19.595 3.463 37.912 1.00 0.00 C ATOM 186 CD1 TRP A 22 -19.379 4.753 38.254 1.00 0.00 C ATOM 187 CD2 TRP A 22 -19.688 2.722 39.164 1.00 0.00 C ATOM 188 NE1 TRP A 22 -19.339 4.853 39.632 1.00 0.00 N ATOM 189 CE2 TRP A 22 -19.525 3.628 40.238 1.00 0.00 C ATOM 190 CE3 TRP A 22 -19.899 1.366 39.468 1.00 0.00 C ATOM 191 CZ2 TRP A 22 -19.569 3.203 41.566 1.00 0.00 C ATOM 192 CZ3 TRP A 22 -19.943 0.934 40.804 1.00 0.00 C ATOM 193 CH2 TRP A 22 -19.779 1.852 41.852 1.00 0.00 C ATOM 0 H TRP A 22 -22.305 4.045 36.692 1.00 0.00 H new ATOM 0 HA TRP A 22 -19.788 4.641 35.188 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -20.193 1.965 36.519 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -18.699 2.781 36.103 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -19.257 5.573 37.562 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -19.190 5.726 40.139 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -20.028 0.651 38.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -19.441 3.915 42.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -20.104 -0.111 41.026 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -19.815 1.515 42.877 1.00 0.00 H new ATOM 194 N VAL A 23 -20.329 2.660 33.508 1.00 0.00 N ATOM 195 CA VAL A 23 -20.876 1.851 32.376 1.00 0.00 C ATOM 196 C VAL A 23 -20.056 0.566 32.231 1.00 0.00 C ATOM 197 O VAL A 23 -18.944 0.471 32.716 1.00 0.00 O ATOM 198 CB VAL A 23 -20.801 2.664 31.078 1.00 0.00 C ATOM 199 CG1 VAL A 23 -21.406 1.861 29.923 1.00 0.00 C ATOM 200 CG2 VAL A 23 -21.586 3.964 31.250 1.00 0.00 C ATOM 0 H VAL A 23 -19.325 2.837 33.467 1.00 0.00 H new ATOM 0 HA VAL A 23 -21.917 1.597 32.577 1.00 0.00 H new ATOM 0 HB VAL A 23 -19.757 2.886 30.855 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -21.349 2.445 29.005 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -20.851 0.931 29.797 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -22.449 1.634 30.145 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -21.535 4.545 30.329 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -22.627 3.733 31.476 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -21.157 4.543 32.068 1.00 0.00 H new ATOM 201 N ILE A 24 -20.602 -0.422 31.569 1.00 0.00 N ATOM 202 CA ILE A 24 -19.866 -1.707 31.389 1.00 0.00 C ATOM 203 C ILE A 24 -19.215 -1.732 30.005 1.00 0.00 C ATOM 204 O ILE A 24 -19.839 -1.415 29.008 1.00 0.00 O ATOM 205 CB ILE A 24 -20.846 -2.878 31.516 1.00 0.00 C ATOM 206 CG1 ILE A 24 -21.589 -2.786 32.857 1.00 0.00 C ATOM 207 CG2 ILE A 24 -20.076 -4.200 31.452 1.00 0.00 C ATOM 208 CD1 ILE A 24 -23.047 -3.205 32.662 1.00 0.00 C ATOM 0 H ILE A 24 -21.529 -0.393 31.144 1.00 0.00 H new ATOM 0 HA ILE A 24 -19.094 -1.795 32.154 1.00 0.00 H new ATOM 0 HB ILE A 24 -21.566 -2.835 30.698 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -21.110 -3.429 33.595 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -21.541 -1.768 33.243 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -20.774 -5.032 31.542 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -19.550 -4.269 30.500 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -19.355 -4.241 32.268 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -23.575 -3.140 33.614 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -23.522 -2.543 31.938 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -23.085 -4.231 32.296 1.00 0.00 H new ATOM 209 N LEU A 25 -17.964 -2.108 29.937 1.00 0.00 N ATOM 210 CA LEU A 25 -17.258 -2.162 28.626 1.00 0.00 C ATOM 211 C LEU A 25 -16.216 -3.285 28.664 1.00 0.00 C ATOM 212 O LEU A 25 -15.297 -3.260 29.461 1.00 0.00 O ATOM 213 CB LEU A 25 -16.566 -0.812 28.361 1.00 0.00 C ATOM 214 CG LEU A 25 -16.929 -0.282 26.965 1.00 0.00 C ATOM 215 CD1 LEU A 25 -16.444 -1.260 25.891 1.00 0.00 C ATOM 216 CD2 LEU A 25 -18.449 -0.108 26.854 1.00 0.00 C ATOM 0 H LEU A 25 -17.399 -2.382 30.741 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.973 -2.358 27.827 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -16.866 -0.089 29.120 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.485 -0.929 28.442 1.00 0.00 H new ATOM 0 HG LEU A 25 -16.444 0.682 26.816 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -16.706 -0.876 24.905 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -15.362 -1.371 25.962 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.919 -2.230 26.041 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -18.701 0.268 25.862 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -18.938 -1.069 27.012 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.790 0.601 27.608 1.00 0.00 H new ATOM 217 N HIS A 26 -16.357 -4.269 27.812 1.00 0.00 N ATOM 218 CA HIS A 26 -15.384 -5.406 27.793 1.00 0.00 C ATOM 219 C HIS A 26 -15.401 -6.116 29.152 1.00 0.00 C ATOM 220 O HIS A 26 -14.374 -6.503 29.674 1.00 0.00 O ATOM 221 CB HIS A 26 -13.974 -4.879 27.506 1.00 0.00 C ATOM 222 CG HIS A 26 -13.989 -4.064 26.243 1.00 0.00 C ATOM 223 ND1 HIS A 26 -13.826 -2.719 26.017 1.00 0.00 N flip ATOM 224 CD2 HIS A 26 -14.195 -4.635 24.996 1.00 0.00 C flip ATOM 225 CE1 HIS A 26 -13.927 -2.459 24.653 1.00 0.00 C flip ATOM 226 NE2 HIS A 26 -14.148 -3.647 24.084 1.00 0.00 N flip ATOM 0 H HIS A 26 -17.108 -4.335 27.125 1.00 0.00 H new ATOM 0 HA HIS A 26 -15.669 -6.110 27.011 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -13.626 -4.270 28.340 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -13.277 -5.711 27.406 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -14.363 -5.683 24.794 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -13.844 -1.501 24.160 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.267 -3.788 23.081 1.00 0.00 H new ATOM 227 N HIS A 27 -16.568 -6.287 29.723 1.00 0.00 N ATOM 228 CA HIS A 27 -16.673 -6.971 31.050 1.00 0.00 C ATOM 229 C HIS A 27 -15.886 -6.179 32.101 1.00 0.00 C ATOM 230 O HIS A 27 -15.104 -6.732 32.854 1.00 0.00 O ATOM 231 CB HIS A 27 -16.112 -8.393 30.943 1.00 0.00 C ATOM 232 CG HIS A 27 -16.371 -9.133 32.229 1.00 0.00 C ATOM 233 ND1 HIS A 27 -15.355 -9.435 33.123 1.00 0.00 N ATOM 234 CD2 HIS A 27 -17.521 -9.636 32.784 1.00 0.00 C ATOM 235 CE1 HIS A 27 -15.910 -10.091 34.159 1.00 0.00 C ATOM 236 NE2 HIS A 27 -17.228 -10.240 34.003 1.00 0.00 N ATOM 0 H HIS A 27 -17.456 -5.981 29.326 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.720 -7.021 31.349 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -16.578 -8.918 30.109 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -15.042 -8.359 30.740 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -18.504 -9.573 32.342 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.357 -10.453 35.013 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -17.880 -10.698 34.640 1.00 0.00 H new ATOM 237 N LYS A 28 -16.091 -4.888 32.158 1.00 0.00 N ATOM 238 CA LYS A 28 -15.364 -4.050 33.157 1.00 0.00 C ATOM 239 C LYS A 28 -16.291 -2.944 33.662 1.00 0.00 C ATOM 240 O LYS A 28 -17.417 -2.819 33.217 1.00 0.00 O ATOM 241 CB LYS A 28 -14.133 -3.423 32.499 1.00 0.00 C ATOM 242 CG LYS A 28 -13.047 -4.486 32.327 1.00 0.00 C ATOM 243 CD LYS A 28 -11.669 -3.838 32.481 1.00 0.00 C ATOM 244 CE LYS A 28 -10.625 -4.673 31.736 1.00 0.00 C ATOM 245 NZ LYS A 28 -9.579 -3.773 31.171 1.00 0.00 N ATOM 0 H LYS A 28 -16.733 -4.377 31.553 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.049 -4.673 33.994 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.401 -3.002 31.530 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -13.759 -2.602 33.111 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.175 -5.275 33.068 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.133 -4.954 31.346 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.687 -2.822 32.086 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.406 -3.765 33.536 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.171 -5.396 32.414 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.101 -5.241 30.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.869 -4.340 30.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.019 -3.100 30.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.118 -3.250 31.942 1.00 0.00 H new ATOM 246 N VAL A 29 -15.826 -2.135 34.582 1.00 0.00 N ATOM 247 CA VAL A 29 -16.677 -1.029 35.112 1.00 0.00 C ATOM 248 C VAL A 29 -16.019 0.292 34.748 1.00 0.00 C ATOM 249 O VAL A 29 -14.812 0.376 34.648 1.00 0.00 O ATOM 250 CB VAL A 29 -16.810 -1.143 36.635 1.00 0.00 C ATOM 251 CG1 VAL A 29 -17.941 -0.232 37.119 1.00 0.00 C ATOM 252 CG2 VAL A 29 -17.127 -2.592 37.020 1.00 0.00 C ATOM 0 H VAL A 29 -14.892 -2.194 34.988 1.00 0.00 H new ATOM 0 HA VAL A 29 -17.675 -1.088 34.677 1.00 0.00 H new ATOM 0 HB VAL A 29 -15.872 -0.841 37.100 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.035 -0.313 38.202 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.717 0.800 36.851 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -18.877 -0.534 36.650 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -17.221 -2.668 38.103 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -18.063 -2.896 36.552 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -16.323 -3.244 36.679 1.00 0.00 H new ATOM 253 N TYR A 30 -16.795 1.319 34.513 1.00 0.00 N ATOM 254 CA TYR A 30 -16.188 2.618 34.112 1.00 0.00 C ATOM 255 C TYR A 30 -16.642 3.760 35.013 1.00 0.00 C ATOM 256 O TYR A 30 -17.690 4.332 34.797 1.00 0.00 O ATOM 257 CB TYR A 30 -16.626 2.944 32.687 1.00 0.00 C ATOM 258 CG TYR A 30 -15.745 2.220 31.721 1.00 0.00 C ATOM 259 CD1 TYR A 30 -15.822 0.831 31.621 1.00 0.00 C ATOM 260 CD2 TYR A 30 -14.848 2.937 30.930 1.00 0.00 C ATOM 261 CE1 TYR A 30 -14.997 0.153 30.723 1.00 0.00 C ATOM 262 CE2 TYR A 30 -14.021 2.263 30.032 1.00 0.00 C ATOM 263 CZ TYR A 30 -14.093 0.867 29.926 1.00 0.00 C ATOM 264 OH TYR A 30 -13.275 0.197 29.039 1.00 0.00 O ATOM 0 H TYR A 30 -17.813 1.313 34.581 1.00 0.00 H new ATOM 0 HA TYR A 30 -15.105 2.519 34.192 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -17.665 2.652 32.538 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -16.569 4.019 32.514 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -16.518 0.282 32.237 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -14.794 4.012 31.013 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -15.055 -0.922 30.642 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -13.325 2.816 29.418 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.273 -0.759 29.254 1.00 0.00 H new ATOM 265 N ASP A 31 -15.836 4.145 35.973 1.00 0.00 N ATOM 266 CA ASP A 31 -16.210 5.311 36.824 1.00 0.00 C ATOM 267 C ASP A 31 -16.059 6.537 35.933 1.00 0.00 C ATOM 268 O ASP A 31 -14.976 7.070 35.774 1.00 0.00 O ATOM 269 CB ASP A 31 -15.275 5.407 38.033 1.00 0.00 C ATOM 270 CG ASP A 31 -15.651 6.624 38.884 1.00 0.00 C ATOM 271 OD1 ASP A 31 -15.168 7.702 38.583 1.00 0.00 O ATOM 272 OD2 ASP A 31 -16.414 6.454 39.821 1.00 0.00 O ATOM 0 H ASP A 31 -14.944 3.705 36.200 1.00 0.00 H new ATOM 0 HA ASP A 31 -17.225 5.220 37.211 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.344 4.498 38.631 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.241 5.491 37.699 1.00 0.00 H new ATOM 273 N LEU A 32 -17.124 6.939 35.294 1.00 0.00 N ATOM 274 CA LEU A 32 -17.036 8.080 34.343 1.00 0.00 C ATOM 275 C LEU A 32 -17.623 9.348 34.961 1.00 0.00 C ATOM 276 O LEU A 32 -18.172 10.180 34.269 1.00 0.00 O ATOM 277 CB LEU A 32 -17.805 7.697 33.075 1.00 0.00 C ATOM 278 CG LEU A 32 -17.249 6.376 32.516 1.00 0.00 C ATOM 279 CD1 LEU A 32 -18.374 5.574 31.861 1.00 0.00 C ATOM 280 CD2 LEU A 32 -16.163 6.653 31.472 1.00 0.00 C ATOM 0 H LEU A 32 -18.051 6.525 35.391 1.00 0.00 H new ATOM 0 HA LEU A 32 -15.993 8.286 34.105 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.866 7.591 33.299 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.714 8.487 32.329 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.820 5.807 33.341 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.973 4.640 31.467 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -19.144 5.355 32.601 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -18.808 6.154 31.047 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.780 5.708 31.086 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.586 7.235 30.653 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.350 7.213 31.933 1.00 0.00 H new ATOM 281 N THR A 33 -17.493 9.511 36.252 1.00 0.00 N ATOM 282 CA THR A 33 -18.029 10.740 36.912 1.00 0.00 C ATOM 283 C THR A 33 -17.256 11.960 36.406 1.00 0.00 C ATOM 284 O THR A 33 -17.778 13.059 36.362 1.00 0.00 O ATOM 285 CB THR A 33 -17.864 10.620 38.429 1.00 0.00 C ATOM 286 OG1 THR A 33 -18.469 9.415 38.875 1.00 0.00 O ATOM 287 CG2 THR A 33 -18.535 11.813 39.112 1.00 0.00 C ATOM 0 H THR A 33 -17.039 8.846 36.878 1.00 0.00 H new ATOM 0 HA THR A 33 -19.087 10.853 36.674 1.00 0.00 H new ATOM 0 HB THR A 33 -16.803 10.609 38.680 1.00 0.00 H new ATOM 0 HG1 THR A 33 -18.363 9.336 39.846 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.417 11.727 40.192 1.00 0.00 H new ATOM 0 HG22 THR A 33 -18.071 12.737 38.769 1.00 0.00 H new ATOM 0 HG23 THR A 33 -19.596 11.826 38.862 1.00 0.00 H new ATOM 288 N LYS A 34 -16.020 11.773 36.014 1.00 0.00 N ATOM 289 CA LYS A 34 -15.213 12.917 35.498 1.00 0.00 C ATOM 290 C LYS A 34 -15.261 12.927 33.964 1.00 0.00 C ATOM 291 O LYS A 34 -15.025 13.943 33.339 1.00 0.00 O ATOM 292 CB LYS A 34 -13.762 12.779 35.971 1.00 0.00 C ATOM 293 CG LYS A 34 -13.188 11.436 35.511 1.00 0.00 C ATOM 294 CD LYS A 34 -11.675 11.413 35.753 1.00 0.00 C ATOM 295 CE LYS A 34 -10.990 12.478 34.887 1.00 0.00 C ATOM 296 NZ LYS A 34 -9.792 11.884 34.229 1.00 0.00 N ATOM 0 H LYS A 34 -15.536 10.875 36.030 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.625 13.852 35.877 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.161 13.597 35.572 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.716 12.851 37.058 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.666 10.620 36.054 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.400 11.282 34.453 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.464 11.598 36.806 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.275 10.427 35.516 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.684 12.852 34.134 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.697 13.329 35.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.172 12.645 33.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.273 11.299 34.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.093 11.293 33.428 1.00 0.00 H new ATOM 297 N PHE A 35 -15.570 11.805 33.355 1.00 0.00 N ATOM 298 CA PHE A 35 -15.641 11.743 31.867 1.00 0.00 C ATOM 299 C PHE A 35 -16.943 12.414 31.399 1.00 0.00 C ATOM 300 O PHE A 35 -17.025 12.915 30.293 1.00 0.00 O ATOM 301 CB PHE A 35 -15.587 10.263 31.439 1.00 0.00 C ATOM 302 CG PHE A 35 -15.964 10.087 29.981 1.00 0.00 C ATOM 303 CD1 PHE A 35 -17.314 10.041 29.610 1.00 0.00 C ATOM 304 CD2 PHE A 35 -14.966 9.963 29.008 1.00 0.00 C ATOM 305 CE1 PHE A 35 -17.666 9.870 28.266 1.00 0.00 C ATOM 306 CE2 PHE A 35 -15.318 9.795 27.662 1.00 0.00 C ATOM 307 CZ PHE A 35 -16.668 9.748 27.292 1.00 0.00 C ATOM 0 H PHE A 35 -15.776 10.927 33.832 1.00 0.00 H new ATOM 0 HA PHE A 35 -14.804 12.271 31.411 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -14.583 9.873 31.605 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -16.263 9.679 32.063 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -18.084 10.138 30.361 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -13.925 9.997 29.294 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -18.707 9.832 27.981 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -14.548 9.702 26.910 1.00 0.00 H new ATOM 0 HZ PHE A 35 -16.939 9.618 26.255 1.00 0.00 H new ATOM 308 N LEU A 36 -17.956 12.431 32.234 1.00 0.00 N ATOM 309 CA LEU A 36 -19.241 13.077 31.837 1.00 0.00 C ATOM 310 C LEU A 36 -19.003 14.575 31.623 1.00 0.00 C ATOM 311 O LEU A 36 -19.682 15.213 30.841 1.00 0.00 O ATOM 312 CB LEU A 36 -20.303 12.863 32.927 1.00 0.00 C ATOM 313 CG LEU A 36 -19.799 13.368 34.285 1.00 0.00 C ATOM 314 CD1 LEU A 36 -20.172 14.846 34.464 1.00 0.00 C ATOM 315 CD2 LEU A 36 -20.446 12.539 35.398 1.00 0.00 C ATOM 0 H LEU A 36 -17.945 12.026 33.170 1.00 0.00 H new ATOM 0 HA LEU A 36 -19.602 12.628 30.912 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -21.219 13.387 32.656 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -20.551 11.804 32.997 1.00 0.00 H new ATOM 0 HG LEU A 36 -18.715 13.267 34.331 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -19.811 15.198 35.430 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -19.715 15.435 33.669 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -21.256 14.956 34.420 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -20.093 12.892 36.367 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -21.530 12.644 35.347 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -20.177 11.490 35.274 1.00 0.00 H new ATOM 316 N GLU A 37 -18.032 15.132 32.304 1.00 0.00 N ATOM 317 CA GLU A 37 -17.728 16.583 32.137 1.00 0.00 C ATOM 318 C GLU A 37 -16.281 16.741 31.658 1.00 0.00 C ATOM 319 O GLU A 37 -15.632 17.732 31.935 1.00 0.00 O ATOM 320 CB GLU A 37 -17.906 17.301 33.477 1.00 0.00 C ATOM 321 CG GLU A 37 -17.774 18.811 33.268 1.00 0.00 C ATOM 322 CD GLU A 37 -18.697 19.544 34.245 1.00 0.00 C ATOM 323 OE1 GLU A 37 -19.861 19.182 34.313 1.00 0.00 O ATOM 324 OE2 GLU A 37 -18.226 20.453 34.906 1.00 0.00 O ATOM 0 H GLU A 37 -17.436 14.641 32.970 1.00 0.00 H new ATOM 0 HA GLU A 37 -18.407 17.018 31.403 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -18.882 17.066 33.901 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -17.157 16.955 34.190 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -16.741 19.122 33.424 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -18.033 19.071 32.242 1.00 0.00 H new ATOM 325 N GLU A 38 -15.774 15.767 30.941 1.00 0.00 N ATOM 326 CA GLU A 38 -14.370 15.849 30.439 1.00 0.00 C ATOM 327 C GLU A 38 -14.375 16.364 28.999 1.00 0.00 C ATOM 328 O GLU A 38 -13.573 17.202 28.631 1.00 0.00 O ATOM 329 CB GLU A 38 -13.726 14.457 30.480 1.00 0.00 C ATOM 330 CG GLU A 38 -12.249 14.566 30.095 1.00 0.00 C ATOM 331 CD GLU A 38 -11.454 15.137 31.270 1.00 0.00 C ATOM 332 OE1 GLU A 38 -11.031 14.360 32.108 1.00 0.00 O ATOM 333 OE2 GLU A 38 -11.282 16.345 31.310 1.00 0.00 O ATOM 0 H GLU A 38 -16.275 14.917 30.682 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.799 16.531 31.070 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.822 14.030 31.478 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -14.243 13.785 29.795 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.860 13.585 29.822 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.137 15.207 29.221 1.00 0.00 H new ATOM 334 N HIS A 39 -15.270 15.866 28.182 1.00 0.00 N ATOM 335 CA HIS A 39 -15.326 16.323 26.761 1.00 0.00 C ATOM 336 C HIS A 39 -16.368 17.448 26.629 1.00 0.00 C ATOM 337 O HIS A 39 -17.343 17.457 27.357 1.00 0.00 O ATOM 338 CB HIS A 39 -15.726 15.152 25.854 1.00 0.00 C ATOM 339 CG HIS A 39 -14.872 13.943 26.148 1.00 0.00 C ATOM 340 ND1 HIS A 39 -13.720 14.009 26.923 1.00 0.00 N ATOM 341 CD2 HIS A 39 -14.995 12.627 25.779 1.00 0.00 C ATOM 342 CE1 HIS A 39 -13.207 12.766 26.994 1.00 0.00 C ATOM 343 NE2 HIS A 39 -13.945 11.887 26.314 1.00 0.00 N ATOM 0 H HIS A 39 -15.963 15.163 28.438 1.00 0.00 H new ATOM 0 HA HIS A 39 -14.345 16.692 26.462 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -16.777 14.908 26.007 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -15.614 15.439 24.808 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -13.334 14.846 27.359 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -15.788 12.226 25.165 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.308 12.512 27.535 1.00 0.00 H new ATOM 344 N PRO A 40 -16.148 18.369 25.708 1.00 0.00 N ATOM 345 CA PRO A 40 -17.071 19.518 25.464 1.00 0.00 C ATOM 346 C PRO A 40 -18.202 19.106 24.513 1.00 0.00 C ATOM 347 O PRO A 40 -18.306 19.604 23.407 1.00 0.00 O ATOM 348 CB PRO A 40 -16.171 20.563 24.816 1.00 0.00 C ATOM 349 CG PRO A 40 -15.009 19.819 24.173 1.00 0.00 C ATOM 350 CD PRO A 40 -14.961 18.414 24.782 1.00 0.00 C ATOM 0 HA PRO A 40 -17.556 19.880 26.371 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -16.722 21.135 24.070 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.809 21.273 25.559 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -15.142 19.763 23.093 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.072 20.346 24.352 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -15.027 17.645 24.013 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.029 18.246 25.322 1.00 0.00 H new ATOM 351 N GLY A 41 -19.048 18.201 24.938 1.00 0.00 N ATOM 352 CA GLY A 41 -20.173 17.754 24.064 1.00 0.00 C ATOM 353 C GLY A 41 -20.913 16.594 24.733 1.00 0.00 C ATOM 354 O GLY A 41 -20.397 15.497 24.838 1.00 0.00 O ATOM 0 H GLY A 41 -19.007 17.753 25.853 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -20.859 18.582 23.886 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -19.790 17.442 23.092 1.00 0.00 H new ATOM 355 N GLY A 42 -22.118 16.832 25.183 1.00 0.00 N ATOM 356 CA GLY A 42 -22.903 15.749 25.847 1.00 0.00 C ATOM 357 C GLY A 42 -23.681 14.964 24.790 1.00 0.00 C ATOM 358 O GLY A 42 -24.891 15.055 24.705 1.00 0.00 O ATOM 0 H GLY A 42 -22.593 17.732 25.119 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -22.235 15.082 26.392 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -23.590 16.178 26.576 1.00 0.00 H new ATOM 359 N GLU A 43 -22.993 14.195 23.984 1.00 0.00 N ATOM 360 CA GLU A 43 -23.685 13.399 22.927 1.00 0.00 C ATOM 361 C GLU A 43 -23.087 11.991 22.874 1.00 0.00 C ATOM 362 O GLU A 43 -23.777 11.009 23.080 1.00 0.00 O ATOM 363 CB GLU A 43 -23.498 14.082 21.571 1.00 0.00 C ATOM 364 CG GLU A 43 -24.739 13.850 20.707 1.00 0.00 C ATOM 365 CD GLU A 43 -25.903 14.681 21.249 1.00 0.00 C ATOM 366 OE1 GLU A 43 -25.909 15.879 21.017 1.00 0.00 O ATOM 367 OE2 GLU A 43 -26.768 14.106 21.889 1.00 0.00 O ATOM 0 H GLU A 43 -21.979 14.085 24.013 1.00 0.00 H new ATOM 0 HA GLU A 43 -24.748 13.334 23.159 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -23.333 15.150 21.710 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -22.614 13.685 21.071 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -24.532 14.126 19.673 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -25.003 12.792 20.708 1.00 0.00 H new ATOM 368 N GLU A 44 -21.813 11.887 22.594 1.00 0.00 N ATOM 369 CA GLU A 44 -21.160 10.556 22.516 1.00 0.00 C ATOM 370 C GLU A 44 -20.587 10.153 23.884 1.00 0.00 C ATOM 371 O GLU A 44 -19.745 9.279 23.971 1.00 0.00 O ATOM 372 CB GLU A 44 -20.025 10.648 21.502 1.00 0.00 C ATOM 373 CG GLU A 44 -20.559 10.329 20.105 1.00 0.00 C ATOM 374 CD GLU A 44 -20.308 8.855 19.781 1.00 0.00 C ATOM 375 OE1 GLU A 44 -19.184 8.529 19.436 1.00 0.00 O ATOM 376 OE2 GLU A 44 -21.242 8.078 19.887 1.00 0.00 O ATOM 0 H GLU A 44 -21.195 12.679 22.415 1.00 0.00 H new ATOM 0 HA GLU A 44 -21.892 9.806 22.216 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -19.591 11.648 21.517 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.230 9.951 21.767 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -21.626 10.546 20.055 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -20.070 10.962 19.365 1.00 0.00 H new ATOM 377 N VAL A 45 -21.033 10.776 24.951 1.00 0.00 N ATOM 378 CA VAL A 45 -20.509 10.422 26.303 1.00 0.00 C ATOM 379 C VAL A 45 -21.546 9.555 27.037 1.00 0.00 C ATOM 380 O VAL A 45 -22.434 8.995 26.425 1.00 0.00 O ATOM 381 CB VAL A 45 -20.229 11.710 27.086 1.00 0.00 C ATOM 382 CG1 VAL A 45 -19.180 12.534 26.340 1.00 0.00 C ATOM 383 CG2 VAL A 45 -21.514 12.534 27.214 1.00 0.00 C ATOM 0 H VAL A 45 -21.737 11.514 24.940 1.00 0.00 H new ATOM 0 HA VAL A 45 -19.581 9.857 26.213 1.00 0.00 H new ATOM 0 HB VAL A 45 -19.865 11.453 28.081 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -18.977 13.451 26.893 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -18.261 11.955 26.248 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -19.553 12.784 25.347 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -21.307 13.447 27.772 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -21.882 12.791 26.221 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -22.269 11.951 27.741 1.00 0.00 H new ATOM 384 N LEU A 46 -21.434 9.435 28.338 1.00 0.00 N ATOM 385 CA LEU A 46 -22.404 8.600 29.114 1.00 0.00 C ATOM 386 C LEU A 46 -23.835 9.098 28.878 1.00 0.00 C ATOM 387 O LEU A 46 -24.319 9.973 29.570 1.00 0.00 O ATOM 388 CB LEU A 46 -22.066 8.700 30.607 1.00 0.00 C ATOM 389 CG LEU A 46 -22.178 7.315 31.264 1.00 0.00 C ATOM 390 CD1 LEU A 46 -21.005 7.108 32.220 1.00 0.00 C ATOM 391 CD2 LEU A 46 -23.493 7.219 32.045 1.00 0.00 C ATOM 0 H LEU A 46 -20.708 9.882 28.898 1.00 0.00 H new ATOM 0 HA LEU A 46 -22.333 7.563 28.785 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -21.057 9.092 30.735 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -22.744 9.400 31.096 1.00 0.00 H new ATOM 0 HG LEU A 46 -22.159 6.547 30.491 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -21.084 6.126 32.686 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -20.068 7.172 31.666 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -21.024 7.878 32.991 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -23.569 6.236 32.510 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -23.514 7.988 32.817 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -24.332 7.365 31.364 1.00 0.00 H new ATOM 392 N ARG A 47 -24.515 8.539 27.907 1.00 0.00 N ATOM 393 CA ARG A 47 -25.919 8.964 27.616 1.00 0.00 C ATOM 394 C ARG A 47 -26.445 8.186 26.406 1.00 0.00 C ATOM 395 O ARG A 47 -27.603 7.818 26.352 1.00 0.00 O ATOM 396 CB ARG A 47 -25.965 10.468 27.313 1.00 0.00 C ATOM 397 CG ARG A 47 -24.906 10.821 26.265 1.00 0.00 C ATOM 398 CD ARG A 47 -25.042 12.295 25.880 1.00 0.00 C ATOM 399 NE ARG A 47 -24.985 13.136 27.108 1.00 0.00 N ATOM 400 CZ ARG A 47 -26.088 13.567 27.657 1.00 0.00 C ATOM 401 NH1 ARG A 47 -27.002 14.140 26.923 1.00 0.00 N ATOM 402 NH2 ARG A 47 -26.277 13.423 28.940 1.00 0.00 N ATOM 0 H ARG A 47 -24.155 7.802 27.300 1.00 0.00 H new ATOM 0 HA ARG A 47 -26.540 8.758 28.487 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -26.955 10.745 26.950 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -25.790 11.037 28.226 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -23.909 10.628 26.661 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -25.027 10.191 25.384 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -24.243 12.578 25.195 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -25.984 12.460 25.357 1.00 0.00 H new ATOM 0 HE ARG A 47 -24.083 13.375 27.520 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -26.855 14.251 25.920 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -27.864 14.477 27.352 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -25.563 12.974 29.513 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -27.139 13.760 29.370 1.00 0.00 H new ATOM 403 N GLU A 48 -25.600 7.936 25.439 1.00 0.00 N ATOM 404 CA GLU A 48 -26.040 7.182 24.227 1.00 0.00 C ATOM 405 C GLU A 48 -26.261 5.706 24.581 1.00 0.00 C ATOM 406 O GLU A 48 -26.996 5.007 23.908 1.00 0.00 O ATOM 407 CB GLU A 48 -24.964 7.289 23.144 1.00 0.00 C ATOM 408 CG GLU A 48 -25.585 7.004 21.776 1.00 0.00 C ATOM 409 CD GLU A 48 -24.799 7.745 20.694 1.00 0.00 C ATOM 410 OE1 GLU A 48 -24.879 8.963 20.660 1.00 0.00 O ATOM 411 OE2 GLU A 48 -24.131 7.084 19.917 1.00 0.00 O ATOM 0 H GLU A 48 -24.621 8.223 25.437 1.00 0.00 H new ATOM 0 HA GLU A 48 -26.975 7.606 23.861 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -24.521 8.285 23.154 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -24.160 6.581 23.345 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -25.576 5.932 21.577 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -26.628 7.322 21.765 1.00 0.00 H new ATOM 412 N GLN A 49 -25.631 5.227 25.628 1.00 0.00 N ATOM 413 CA GLN A 49 -25.801 3.795 26.024 1.00 0.00 C ATOM 414 C GLN A 49 -27.278 3.503 26.303 1.00 0.00 C ATOM 415 O GLN A 49 -28.011 4.354 26.770 1.00 0.00 O ATOM 416 CB GLN A 49 -24.982 3.517 27.287 1.00 0.00 C ATOM 417 CG GLN A 49 -25.369 4.520 28.380 1.00 0.00 C ATOM 418 CD GLN A 49 -25.368 3.821 29.742 1.00 0.00 C ATOM 419 OE1 GLN A 49 -24.777 4.306 30.686 1.00 0.00 O ATOM 420 NE2 GLN A 49 -26.012 2.695 29.885 1.00 0.00 N ATOM 0 H GLN A 49 -25.006 5.768 26.225 1.00 0.00 H new ATOM 0 HA GLN A 49 -25.456 3.155 25.212 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -25.162 2.499 27.633 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -23.917 3.596 27.067 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -24.667 5.354 28.387 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -26.355 4.935 28.174 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -26.508 2.287 29.093 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -26.019 2.223 30.789 1.00 0.00 H new ATOM 421 N ALA A 50 -27.717 2.303 26.018 1.00 0.00 N ATOM 422 CA ALA A 50 -29.144 1.942 26.262 1.00 0.00 C ATOM 423 C ALA A 50 -29.362 0.466 25.920 1.00 0.00 C ATOM 424 O ALA A 50 -30.395 0.087 25.398 1.00 0.00 O ATOM 425 CB ALA A 50 -30.046 2.809 25.381 1.00 0.00 C ATOM 0 H ALA A 50 -27.145 1.556 25.625 1.00 0.00 H new ATOM 0 HA ALA A 50 -29.389 2.112 27.311 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -31.089 2.546 25.558 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -29.890 3.860 25.624 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -29.802 2.639 24.332 1.00 0.00 H new ATOM 426 N GLY A 51 -28.396 -0.367 26.211 1.00 0.00 N ATOM 427 CA GLY A 51 -28.535 -1.822 25.907 1.00 0.00 C ATOM 428 C GLY A 51 -27.637 -2.630 26.845 1.00 0.00 C ATOM 429 O GLY A 51 -27.927 -2.780 28.017 1.00 0.00 O ATOM 0 H GLY A 51 -27.514 -0.100 26.648 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -29.574 -2.131 26.026 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -28.262 -2.015 24.870 1.00 0.00 H new ATOM 430 N GLY A 52 -26.550 -3.151 26.336 1.00 0.00 N ATOM 431 CA GLY A 52 -25.625 -3.953 27.189 1.00 0.00 C ATOM 432 C GLY A 52 -24.229 -3.963 26.564 1.00 0.00 C ATOM 433 O GLY A 52 -23.386 -3.151 26.897 1.00 0.00 O ATOM 0 H GLY A 52 -26.263 -3.054 25.362 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -25.582 -3.531 28.193 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -25.997 -4.973 27.288 1.00 0.00 H new ATOM 434 N ASP A 53 -23.982 -4.877 25.660 1.00 0.00 N ATOM 435 CA ASP A 53 -22.641 -4.948 25.006 1.00 0.00 C ATOM 436 C ASP A 53 -22.697 -4.242 23.649 1.00 0.00 C ATOM 437 O ASP A 53 -22.081 -4.669 22.692 1.00 0.00 O ATOM 438 CB ASP A 53 -22.252 -6.415 24.802 1.00 0.00 C ATOM 439 CG ASP A 53 -20.742 -6.516 24.581 1.00 0.00 C ATOM 440 OD1 ASP A 53 -20.012 -5.875 25.318 1.00 0.00 O ATOM 441 OD2 ASP A 53 -20.342 -7.232 23.678 1.00 0.00 O ATOM 0 H ASP A 53 -24.653 -5.578 25.346 1.00 0.00 H new ATOM 0 HA ASP A 53 -21.901 -4.459 25.639 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -22.543 -7.004 25.672 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -22.784 -6.828 23.945 1.00 0.00 H new ATOM 442 N ALA A 54 -23.432 -3.162 23.565 1.00 0.00 N ATOM 443 CA ALA A 54 -23.534 -2.418 22.275 1.00 0.00 C ATOM 444 C ALA A 54 -22.515 -1.275 22.261 1.00 0.00 C ATOM 445 O ALA A 54 -22.020 -0.889 21.220 1.00 0.00 O ATOM 446 CB ALA A 54 -24.945 -1.844 22.128 1.00 0.00 C ATOM 0 H ALA A 54 -23.967 -2.763 24.337 1.00 0.00 H new ATOM 0 HA ALA A 54 -23.329 -3.097 21.448 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -25.020 -1.300 21.186 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -25.671 -2.657 22.137 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -25.150 -1.165 22.956 1.00 0.00 H new ATOM 447 N THR A 55 -22.201 -0.735 23.411 1.00 0.00 N ATOM 448 CA THR A 55 -21.215 0.383 23.476 1.00 0.00 C ATOM 449 C THR A 55 -19.851 -0.109 22.986 1.00 0.00 C ATOM 450 O THR A 55 -19.129 -0.775 23.703 1.00 0.00 O ATOM 451 CB THR A 55 -21.091 0.871 24.920 1.00 0.00 C ATOM 452 OG1 THR A 55 -21.083 -0.246 25.797 1.00 0.00 O ATOM 453 CG2 THR A 55 -22.275 1.779 25.257 1.00 0.00 C ATOM 0 H THR A 55 -22.587 -1.022 24.310 1.00 0.00 H new ATOM 0 HA THR A 55 -21.555 1.203 22.843 1.00 0.00 H new ATOM 0 HB THR A 55 -20.163 1.430 25.036 1.00 0.00 H new ATOM 0 HG1 THR A 55 -21.163 0.065 26.723 1.00 0.00 H new ATOM 0 HG21 THR A 55 -22.186 2.126 26.286 1.00 0.00 H new ATOM 0 HG22 THR A 55 -22.279 2.636 24.584 1.00 0.00 H new ATOM 0 HG23 THR A 55 -23.205 1.222 25.141 1.00 0.00 H new ATOM 454 N GLU A 56 -19.497 0.217 21.768 1.00 0.00 N ATOM 455 CA GLU A 56 -18.181 -0.226 21.222 1.00 0.00 C ATOM 456 C GLU A 56 -17.189 0.938 21.276 1.00 0.00 C ATOM 457 O GLU A 56 -15.999 0.742 21.437 1.00 0.00 O ATOM 458 CB GLU A 56 -18.358 -0.676 19.769 1.00 0.00 C ATOM 459 CG GLU A 56 -17.046 -1.275 19.256 1.00 0.00 C ATOM 460 CD GLU A 56 -17.065 -2.792 19.456 1.00 0.00 C ATOM 461 OE1 GLU A 56 -17.544 -3.480 18.568 1.00 0.00 O ATOM 462 OE2 GLU A 56 -16.600 -3.239 20.490 1.00 0.00 O ATOM 0 H GLU A 56 -20.065 0.772 21.128 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.801 -1.056 21.817 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -19.158 -1.413 19.700 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.651 0.171 19.148 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.914 -1.038 18.200 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.201 -0.838 19.789 1.00 0.00 H new ATOM 463 N ASN A 57 -17.674 2.148 21.144 1.00 0.00 N ATOM 464 CA ASN A 57 -16.767 3.332 21.188 1.00 0.00 C ATOM 465 C ASN A 57 -17.529 4.534 21.750 1.00 0.00 C ATOM 466 O ASN A 57 -18.410 5.076 21.107 1.00 0.00 O ATOM 467 CB ASN A 57 -16.279 3.653 19.774 1.00 0.00 C ATOM 468 CG ASN A 57 -15.001 2.864 19.484 1.00 0.00 C ATOM 469 OD1 ASN A 57 -14.056 2.914 20.246 1.00 0.00 O ATOM 470 ND2 ASN A 57 -14.931 2.132 18.405 1.00 0.00 N ATOM 0 H ASN A 57 -18.661 2.365 21.007 1.00 0.00 H new ATOM 0 HA ASN A 57 -15.911 3.112 21.826 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -17.049 3.399 19.046 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -16.089 4.722 19.677 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.083 1.602 18.202 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -15.724 2.090 17.765 1.00 0.00 H new ATOM 471 N PHE A 58 -17.196 4.954 22.945 1.00 0.00 N ATOM 472 CA PHE A 58 -17.896 6.120 23.558 1.00 0.00 C ATOM 473 C PHE A 58 -17.633 7.372 22.717 1.00 0.00 C ATOM 474 O PHE A 58 -18.503 7.848 22.012 1.00 0.00 O ATOM 475 CB PHE A 58 -17.371 6.340 24.978 1.00 0.00 C ATOM 476 CG PHE A 58 -18.034 5.360 25.917 1.00 0.00 C ATOM 477 CD1 PHE A 58 -19.430 5.313 26.008 1.00 0.00 C ATOM 478 CD2 PHE A 58 -17.253 4.499 26.696 1.00 0.00 C ATOM 479 CE1 PHE A 58 -20.046 4.405 26.878 1.00 0.00 C ATOM 480 CE2 PHE A 58 -17.866 3.591 27.566 1.00 0.00 C ATOM 481 CZ PHE A 58 -19.262 3.543 27.657 1.00 0.00 C ATOM 0 H PHE A 58 -16.466 4.537 23.523 1.00 0.00 H new ATOM 0 HA PHE A 58 -18.968 5.924 23.593 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -16.289 6.208 25.002 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -17.575 7.362 25.298 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -20.033 5.978 25.407 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -16.176 4.535 26.626 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -21.123 4.369 26.949 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -17.262 2.927 28.167 1.00 0.00 H new ATOM 0 HZ PHE A 58 -19.735 2.841 28.328 1.00 0.00 H new ATOM 482 N GLU A 59 -16.440 7.906 22.789 1.00 0.00 N ATOM 483 CA GLU A 59 -16.111 9.128 21.998 1.00 0.00 C ATOM 484 C GLU A 59 -15.361 8.726 20.727 1.00 0.00 C ATOM 485 O GLU A 59 -14.727 7.688 20.672 1.00 0.00 O ATOM 486 CB GLU A 59 -15.231 10.057 22.837 1.00 0.00 C ATOM 487 CG GLU A 59 -15.162 11.433 22.171 1.00 0.00 C ATOM 488 CD GLU A 59 -16.544 12.088 22.208 1.00 0.00 C ATOM 489 OE1 GLU A 59 -16.909 12.599 23.255 1.00 0.00 O ATOM 490 OE2 GLU A 59 -17.214 12.069 21.189 1.00 0.00 O ATOM 0 H GLU A 59 -15.678 7.546 23.364 1.00 0.00 H new ATOM 0 HA GLU A 59 -17.032 9.645 21.728 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.637 10.149 23.844 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.230 9.637 22.934 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.436 12.062 22.686 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.823 11.333 21.140 1.00 0.00 H new ATOM 491 N ASP A 60 -15.432 9.540 19.705 1.00 0.00 N ATOM 492 CA ASP A 60 -14.726 9.215 18.430 1.00 0.00 C ATOM 493 C ASP A 60 -13.741 10.335 18.091 1.00 0.00 C ATOM 494 O ASP A 60 -12.633 10.086 17.653 1.00 0.00 O ATOM 495 CB ASP A 60 -15.750 9.077 17.302 1.00 0.00 C ATOM 496 CG ASP A 60 -15.050 8.588 16.033 1.00 0.00 C ATOM 497 OD1 ASP A 60 -14.503 9.417 15.323 1.00 0.00 O ATOM 498 OD2 ASP A 60 -15.072 7.392 15.792 1.00 0.00 O ATOM 0 H ASP A 60 -15.950 10.418 19.699 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.182 8.277 18.545 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -16.533 8.376 17.591 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -16.234 10.036 17.116 1.00 0.00 H new ATOM 499 N VAL A 61 -14.139 11.567 18.290 1.00 0.00 N ATOM 500 CA VAL A 61 -13.232 12.711 17.982 1.00 0.00 C ATOM 501 C VAL A 61 -12.010 12.690 18.914 1.00 0.00 C ATOM 502 O VAL A 61 -11.019 13.349 18.659 1.00 0.00 O ATOM 503 CB VAL A 61 -14.007 14.030 18.147 1.00 0.00 C ATOM 504 CG1 VAL A 61 -14.489 14.175 19.593 1.00 0.00 C ATOM 505 CG2 VAL A 61 -13.099 15.213 17.791 1.00 0.00 C ATOM 0 H VAL A 61 -15.055 11.828 18.653 1.00 0.00 H new ATOM 0 HA VAL A 61 -12.879 12.625 16.954 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.869 14.020 17.480 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -15.037 15.111 19.702 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -15.144 13.340 19.844 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.630 14.177 20.264 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.652 16.145 17.909 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.233 15.219 18.453 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.766 15.118 16.758 1.00 0.00 H new ATOM 506 N GLY A 62 -12.073 11.942 19.986 1.00 0.00 N ATOM 507 CA GLY A 62 -10.918 11.877 20.932 1.00 0.00 C ATOM 508 C GLY A 62 -10.677 13.260 21.540 1.00 0.00 C ATOM 509 O GLY A 62 -11.557 14.099 21.561 1.00 0.00 O ATOM 0 H GLY A 62 -12.877 11.372 20.248 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.120 11.152 21.720 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.024 11.538 20.408 1.00 0.00 H new ATOM 510 N HIS A 63 -9.489 13.499 22.034 1.00 0.00 N ATOM 511 CA HIS A 63 -9.179 14.826 22.645 1.00 0.00 C ATOM 512 C HIS A 63 -7.663 14.979 22.784 1.00 0.00 C ATOM 513 O HIS A 63 -7.038 15.726 22.053 1.00 0.00 O ATOM 514 CB HIS A 63 -9.829 14.915 24.027 1.00 0.00 C ATOM 515 CG HIS A 63 -11.207 15.505 23.894 1.00 0.00 C ATOM 516 ND1 HIS A 63 -11.435 16.716 23.260 1.00 0.00 N ATOM 517 CD2 HIS A 63 -12.438 15.061 24.309 1.00 0.00 C ATOM 518 CE1 HIS A 63 -12.758 16.958 23.312 1.00 0.00 C ATOM 519 NE2 HIS A 63 -13.416 15.980 23.940 1.00 0.00 N ATOM 0 H HIS A 63 -8.719 12.830 22.040 1.00 0.00 H new ATOM 0 HA HIS A 63 -9.569 15.620 22.009 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -9.887 13.924 24.478 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -9.220 15.531 24.689 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -10.729 17.315 22.832 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -12.620 14.139 24.841 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -13.230 17.836 22.897 1.00 0.00 H new ATOM 520 N SER A 64 -7.070 14.280 23.717 1.00 0.00 N ATOM 521 CA SER A 64 -5.594 14.379 23.914 1.00 0.00 C ATOM 522 C SER A 64 -4.981 12.977 23.871 1.00 0.00 C ATOM 523 O SER A 64 -5.299 12.134 24.684 1.00 0.00 O ATOM 524 CB SER A 64 -5.302 15.022 25.269 1.00 0.00 C ATOM 525 OG SER A 64 -5.880 14.231 26.299 1.00 0.00 O ATOM 0 H SER A 64 -7.548 13.642 24.354 1.00 0.00 H new ATOM 0 HA SER A 64 -5.161 14.991 23.122 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.226 15.106 25.420 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.708 16.033 25.300 1.00 0.00 H new ATOM 0 HG SER A 64 -5.749 13.281 26.095 1.00 0.00 H new ATOM 526 N THR A 65 -4.104 12.736 22.916 1.00 0.00 N ATOM 527 CA THR A 65 -3.428 11.396 22.767 1.00 0.00 C ATOM 528 C THR A 65 -4.416 10.239 22.990 1.00 0.00 C ATOM 529 O THR A 65 -4.113 9.276 23.670 1.00 0.00 O ATOM 530 CB THR A 65 -2.255 11.287 23.756 1.00 0.00 C ATOM 531 OG1 THR A 65 -1.594 10.046 23.562 1.00 0.00 O ATOM 532 CG2 THR A 65 -2.760 11.374 25.198 1.00 0.00 C ATOM 0 H THR A 65 -3.822 13.426 22.219 1.00 0.00 H new ATOM 0 HA THR A 65 -3.051 11.321 21.747 1.00 0.00 H new ATOM 0 HB THR A 65 -1.564 12.110 23.577 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.257 9.326 23.516 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.917 11.295 25.884 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.264 12.329 25.350 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.460 10.560 25.388 1.00 0.00 H new ATOM 533 N ASP A 66 -5.592 10.335 22.422 1.00 0.00 N ATOM 534 CA ASP A 66 -6.603 9.250 22.594 1.00 0.00 C ATOM 535 C ASP A 66 -6.069 7.951 21.986 1.00 0.00 C ATOM 536 O ASP A 66 -5.971 7.816 20.781 1.00 0.00 O ATOM 537 CB ASP A 66 -7.903 9.648 21.889 1.00 0.00 C ATOM 538 CG ASP A 66 -7.606 10.004 20.431 1.00 0.00 C ATOM 539 OD1 ASP A 66 -7.269 11.149 20.178 1.00 0.00 O ATOM 540 OD2 ASP A 66 -7.723 9.128 19.590 1.00 0.00 O ATOM 0 H ASP A 66 -5.895 11.120 21.846 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.797 9.100 23.656 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.620 8.828 21.935 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.358 10.498 22.396 1.00 0.00 H new ATOM 541 N ALA A 67 -5.723 6.999 22.813 1.00 0.00 N ATOM 542 CA ALA A 67 -5.193 5.705 22.295 1.00 0.00 C ATOM 543 C ALA A 67 -6.351 4.730 22.069 1.00 0.00 C ATOM 544 O ALA A 67 -6.810 4.084 22.989 1.00 0.00 O ATOM 545 CB ALA A 67 -4.217 5.109 23.312 1.00 0.00 C ATOM 0 H ALA A 67 -5.785 7.064 23.829 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.675 5.878 21.352 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.830 4.163 22.933 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.391 5.801 23.472 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.735 4.937 24.256 1.00 0.00 H new ATOM 546 N ARG A 68 -6.818 4.624 20.842 1.00 0.00 N ATOM 547 CA ARG A 68 -7.956 3.698 20.486 1.00 0.00 C ATOM 548 C ARG A 68 -9.059 3.715 21.557 1.00 0.00 C ATOM 549 O ARG A 68 -8.998 3.002 22.539 1.00 0.00 O ATOM 550 CB ARG A 68 -7.442 2.260 20.286 1.00 0.00 C ATOM 551 CG ARG A 68 -6.528 1.836 21.440 1.00 0.00 C ATOM 552 CD ARG A 68 -6.142 0.365 21.267 1.00 0.00 C ATOM 553 NE ARG A 68 -7.367 -0.481 21.328 1.00 0.00 N ATOM 554 CZ ARG A 68 -7.559 -1.415 20.436 1.00 0.00 C ATOM 555 NH1 ARG A 68 -7.567 -1.114 19.166 1.00 0.00 N ATOM 556 NH2 ARG A 68 -7.743 -2.650 20.816 1.00 0.00 N ATOM 0 H ARG A 68 -6.450 5.153 20.051 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.387 4.058 19.552 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.287 1.575 20.216 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.898 2.192 19.344 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.634 2.459 21.458 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.036 1.981 22.393 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.635 0.221 20.313 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.442 0.067 22.048 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.055 -0.331 22.066 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.423 -0.149 18.870 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.717 -1.844 18.470 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.737 -2.884 21.809 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.893 -3.381 20.120 1.00 0.00 H new ATOM 557 N GLU A 69 -10.070 4.528 21.364 1.00 0.00 N ATOM 558 CA GLU A 69 -11.190 4.607 22.355 1.00 0.00 C ATOM 559 C GLU A 69 -10.664 5.155 23.683 1.00 0.00 C ATOM 560 O GLU A 69 -9.754 4.605 24.275 1.00 0.00 O ATOM 561 CB GLU A 69 -11.791 3.213 22.577 1.00 0.00 C ATOM 562 CG GLU A 69 -13.235 3.348 23.071 1.00 0.00 C ATOM 563 CD GLU A 69 -13.930 1.988 22.996 1.00 0.00 C ATOM 564 OE1 GLU A 69 -13.641 1.247 22.070 1.00 0.00 O ATOM 565 OE2 GLU A 69 -14.738 1.710 23.867 1.00 0.00 O ATOM 0 H GLU A 69 -10.168 5.144 20.557 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.962 5.272 21.968 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.766 2.643 21.648 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.197 2.662 23.306 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.247 3.718 24.096 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.772 4.076 22.463 1.00 0.00 H new ATOM 566 N LEU A 70 -11.235 6.233 24.156 1.00 0.00 N ATOM 567 CA LEU A 70 -10.779 6.826 25.449 1.00 0.00 C ATOM 568 C LEU A 70 -11.032 5.843 26.601 1.00 0.00 C ATOM 569 O LEU A 70 -10.481 5.994 27.673 1.00 0.00 O ATOM 570 CB LEU A 70 -11.544 8.128 25.714 1.00 0.00 C ATOM 571 CG LEU A 70 -10.986 8.815 26.966 1.00 0.00 C ATOM 572 CD1 LEU A 70 -9.517 9.187 26.749 1.00 0.00 C ATOM 573 CD2 LEU A 70 -11.791 10.086 27.246 1.00 0.00 C ATOM 0 H LEU A 70 -12.000 6.730 23.700 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.711 7.033 25.386 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -11.457 8.793 24.854 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.605 7.916 25.847 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.062 8.132 27.812 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.129 9.674 27.643 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.939 8.285 26.548 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.435 9.867 25.901 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.397 10.577 28.136 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.713 10.761 26.394 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.837 9.826 27.408 1.00 0.00 H new ATOM 574 N SER A 71 -11.859 4.841 26.393 1.00 0.00 N ATOM 575 CA SER A 71 -12.144 3.852 27.480 1.00 0.00 C ATOM 576 C SER A 71 -10.837 3.216 27.968 1.00 0.00 C ATOM 577 O SER A 71 -10.381 2.225 27.431 1.00 0.00 O ATOM 578 CB SER A 71 -13.067 2.760 26.940 1.00 0.00 C ATOM 579 OG SER A 71 -12.559 2.286 25.700 1.00 0.00 O ATOM 0 H SER A 71 -12.348 4.668 25.515 1.00 0.00 H new ATOM 0 HA SER A 71 -12.624 4.365 28.313 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.136 1.940 27.655 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.075 3.153 26.807 1.00 0.00 H new ATOM 0 HG SER A 71 -11.645 1.957 25.826 1.00 0.00 H new ATOM 580 N LYS A 72 -10.239 3.785 28.983 1.00 0.00 N ATOM 581 CA LYS A 72 -8.961 3.234 29.524 1.00 0.00 C ATOM 582 C LYS A 72 -8.521 4.078 30.720 1.00 0.00 C ATOM 583 O LYS A 72 -8.099 3.558 31.736 1.00 0.00 O ATOM 584 CB LYS A 72 -7.879 3.286 28.441 1.00 0.00 C ATOM 585 CG LYS A 72 -6.613 2.592 28.949 1.00 0.00 C ATOM 586 CD LYS A 72 -5.652 2.362 27.781 1.00 0.00 C ATOM 587 CE LYS A 72 -4.262 2.023 28.323 1.00 0.00 C ATOM 588 NZ LYS A 72 -3.535 3.282 28.648 1.00 0.00 N ATOM 0 H LYS A 72 -10.585 4.615 29.464 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.111 2.200 29.835 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.234 2.798 27.533 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.659 4.322 28.181 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.133 3.203 29.714 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.869 1.641 29.415 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.016 1.550 27.151 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.603 3.253 27.156 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.349 1.401 29.214 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.703 1.448 27.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.590 3.052 29.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.440 3.860 27.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.066 3.814 29.366 1.00 0.00 H new ATOM 589 N THR A 73 -8.615 5.379 30.603 1.00 0.00 N ATOM 590 CA THR A 73 -8.208 6.271 31.719 1.00 0.00 C ATOM 591 C THR A 73 -9.433 6.649 32.563 1.00 0.00 C ATOM 592 O THR A 73 -9.430 7.651 33.252 1.00 0.00 O ATOM 593 CB THR A 73 -7.575 7.542 31.141 1.00 0.00 C ATOM 594 OG1 THR A 73 -8.071 7.780 29.832 1.00 0.00 O ATOM 595 CG2 THR A 73 -6.056 7.379 31.090 1.00 0.00 C ATOM 0 H THR A 73 -8.960 5.860 29.773 1.00 0.00 H new ATOM 0 HA THR A 73 -7.488 5.752 32.351 1.00 0.00 H new ATOM 0 HB THR A 73 -7.830 8.389 31.778 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.932 8.245 29.888 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.607 8.283 30.679 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.674 7.210 32.097 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.802 6.528 30.458 1.00 0.00 H new ATOM 596 N TYR A 74 -10.475 5.854 32.518 1.00 0.00 N ATOM 597 CA TYR A 74 -11.694 6.163 33.323 1.00 0.00 C ATOM 598 C TYR A 74 -12.286 4.862 33.883 1.00 0.00 C ATOM 599 O TYR A 74 -13.456 4.798 34.207 1.00 0.00 O ATOM 600 CB TYR A 74 -12.735 6.854 32.434 1.00 0.00 C ATOM 601 CG TYR A 74 -12.182 8.164 31.916 1.00 0.00 C ATOM 602 CD1 TYR A 74 -11.462 8.199 30.715 1.00 0.00 C ATOM 603 CD2 TYR A 74 -12.388 9.348 32.639 1.00 0.00 C ATOM 604 CE1 TYR A 74 -10.951 9.411 30.237 1.00 0.00 C ATOM 605 CE2 TYR A 74 -11.877 10.561 32.160 1.00 0.00 C ATOM 606 CZ TYR A 74 -11.157 10.591 30.960 1.00 0.00 C ATOM 607 OH TYR A 74 -10.654 11.787 30.490 1.00 0.00 O ATOM 0 H TYR A 74 -10.532 5.004 31.957 1.00 0.00 H new ATOM 0 HA TYR A 74 -11.423 6.823 34.147 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -13.001 6.206 31.599 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -13.648 7.034 33.001 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.301 7.289 30.157 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -12.941 9.324 33.566 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.398 9.435 29.310 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -12.038 11.473 32.716 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.761 12.479 31.176 1.00 0.00 H new ATOM 608 N ILE A 75 -11.489 3.825 33.997 1.00 0.00 N ATOM 609 CA ILE A 75 -12.005 2.528 34.534 1.00 0.00 C ATOM 610 C ILE A 75 -11.653 2.415 36.020 1.00 0.00 C ATOM 611 O ILE A 75 -10.659 2.952 36.472 1.00 0.00 O ATOM 612 CB ILE A 75 -11.368 1.352 33.776 1.00 0.00 C ATOM 613 CG1 ILE A 75 -11.355 1.643 32.268 1.00 0.00 C ATOM 614 CG2 ILE A 75 -12.179 0.078 34.044 1.00 0.00 C ATOM 615 CD1 ILE A 75 -10.663 0.499 31.520 1.00 0.00 C ATOM 0 H ILE A 75 -10.502 3.823 33.740 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.087 2.497 34.405 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.343 1.216 34.120 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.375 1.762 31.903 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.836 2.582 32.075 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -11.730 -0.758 33.508 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -12.180 -0.135 35.113 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.204 0.220 33.702 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.658 0.713 30.451 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.637 0.400 31.875 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.201 -0.432 31.701 1.00 0.00 H new ATOM 616 N ILE A 76 -12.461 1.720 36.778 1.00 0.00 N ATOM 617 CA ILE A 76 -12.181 1.564 38.243 1.00 0.00 C ATOM 618 C ILE A 76 -11.797 0.115 38.547 1.00 0.00 C ATOM 619 O ILE A 76 -10.928 -0.143 39.358 1.00 0.00 O ATOM 620 CB ILE A 76 -13.412 1.940 39.094 1.00 0.00 C ATOM 621 CG1 ILE A 76 -14.721 1.682 38.327 1.00 0.00 C ATOM 622 CG2 ILE A 76 -13.327 3.417 39.473 1.00 0.00 C ATOM 623 CD1 ILE A 76 -15.875 1.501 39.313 1.00 0.00 C ATOM 0 H ILE A 76 -13.305 1.252 36.448 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.360 2.235 38.497 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.415 1.319 39.990 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -14.931 2.516 37.657 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.619 0.792 37.706 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -14.194 3.689 40.075 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.417 3.594 40.047 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -13.308 4.024 38.568 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -16.798 1.319 38.763 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -15.667 0.652 39.965 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -15.984 2.403 39.916 1.00 0.00 H new ATOM 624 N GLY A 77 -12.444 -0.829 37.914 1.00 0.00 N ATOM 625 CA GLY A 77 -12.121 -2.264 38.177 1.00 0.00 C ATOM 626 C GLY A 77 -12.857 -3.155 37.176 1.00 0.00 C ATOM 627 O GLY A 77 -13.039 -2.793 36.028 1.00 0.00 O ATOM 0 H GLY A 77 -13.181 -0.669 37.227 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.046 -2.424 38.098 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.409 -2.530 39.194 1.00 0.00 H new ATOM 628 N GLU A 78 -13.279 -4.320 37.604 1.00 0.00 N ATOM 629 CA GLU A 78 -14.004 -5.242 36.682 1.00 0.00 C ATOM 630 C GLU A 78 -15.380 -5.580 37.261 1.00 0.00 C ATOM 631 O GLU A 78 -15.787 -5.043 38.277 1.00 0.00 O ATOM 632 CB GLU A 78 -13.196 -6.529 36.504 1.00 0.00 C ATOM 633 CG GLU A 78 -11.993 -6.254 35.599 1.00 0.00 C ATOM 634 CD GLU A 78 -11.547 -7.556 34.932 1.00 0.00 C ATOM 635 OE1 GLU A 78 -12.394 -8.231 34.367 1.00 0.00 O ATOM 636 OE2 GLU A 78 -10.367 -7.858 34.995 1.00 0.00 O ATOM 0 H GLU A 78 -13.151 -4.670 38.553 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.130 -4.754 35.715 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.859 -6.897 37.473 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.822 -7.307 36.068 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.256 -5.516 34.841 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.174 -5.833 36.183 1.00 0.00 H new ATOM 637 N LEU A 79 -16.099 -6.466 36.620 1.00 0.00 N ATOM 638 CA LEU A 79 -17.451 -6.846 37.123 1.00 0.00 C ATOM 639 C LEU A 79 -17.385 -8.224 37.784 1.00 0.00 C ATOM 640 O LEU A 79 -16.773 -9.140 37.269 1.00 0.00 O ATOM 641 CB LEU A 79 -18.435 -6.888 35.948 1.00 0.00 C ATOM 642 CG LEU A 79 -19.853 -7.145 36.469 1.00 0.00 C ATOM 643 CD1 LEU A 79 -20.293 -5.992 37.381 1.00 0.00 C ATOM 644 CD2 LEU A 79 -20.816 -7.256 35.280 1.00 0.00 C ATOM 0 H LEU A 79 -15.806 -6.943 35.768 1.00 0.00 H new ATOM 0 HA LEU A 79 -17.787 -6.112 37.855 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -18.404 -5.946 35.401 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -18.147 -7.672 35.248 1.00 0.00 H new ATOM 0 HG LEU A 79 -19.865 -8.073 37.040 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -21.302 -6.182 37.747 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -19.609 -5.915 38.226 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -20.281 -5.058 36.819 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -21.826 -7.439 35.646 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -20.799 -6.327 34.710 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -20.508 -8.081 34.638 1.00 0.00 H new ATOM 645 N HIS A 80 -18.014 -8.374 38.923 1.00 0.00 N ATOM 646 CA HIS A 80 -17.998 -9.689 39.629 1.00 0.00 C ATOM 647 C HIS A 80 -18.695 -10.745 38.746 1.00 0.00 C ATOM 648 O HIS A 80 -19.718 -10.454 38.157 1.00 0.00 O ATOM 649 CB HIS A 80 -18.740 -9.553 40.961 1.00 0.00 C ATOM 650 CG HIS A 80 -18.118 -10.469 41.978 1.00 0.00 C ATOM 651 ND1 HIS A 80 -18.493 -11.796 42.098 1.00 0.00 N ATOM 652 CD2 HIS A 80 -17.142 -10.270 42.924 1.00 0.00 C ATOM 653 CE1 HIS A 80 -17.758 -12.344 43.077 1.00 0.00 C ATOM 654 NE2 HIS A 80 -16.919 -11.457 43.614 1.00 0.00 N ATOM 0 H HIS A 80 -18.540 -7.638 39.395 1.00 0.00 H new ATOM 0 HA HIS A 80 -16.970 -9.999 39.819 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -18.696 -8.521 41.310 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -19.793 -9.800 40.829 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -16.628 -9.337 43.104 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.836 -13.374 43.391 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -16.254 -11.616 44.371 1.00 0.00 H new ATOM 655 N PRO A 81 -18.132 -11.941 38.660 1.00 0.00 N ATOM 656 CA PRO A 81 -18.698 -13.050 37.828 1.00 0.00 C ATOM 657 C PRO A 81 -19.813 -13.805 38.570 1.00 0.00 C ATOM 658 O PRO A 81 -20.585 -14.524 37.962 1.00 0.00 O ATOM 659 CB PRO A 81 -17.502 -13.959 37.588 1.00 0.00 C ATOM 660 CG PRO A 81 -16.511 -13.710 38.715 1.00 0.00 C ATOM 661 CD PRO A 81 -16.868 -12.368 39.359 1.00 0.00 C ATOM 0 HA PRO A 81 -19.156 -12.686 36.908 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -17.811 -15.004 37.572 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -17.046 -13.747 36.621 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -16.559 -14.512 39.451 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -15.491 -13.691 38.331 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -17.023 -12.472 40.433 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -16.071 -11.637 39.221 1.00 0.00 H new ATOM 662 N ASP A 82 -19.904 -13.659 39.873 1.00 0.00 N ATOM 663 CA ASP A 82 -20.970 -14.381 40.646 1.00 0.00 C ATOM 664 C ASP A 82 -22.354 -14.116 40.031 1.00 0.00 C ATOM 665 O ASP A 82 -23.261 -14.916 40.159 1.00 0.00 O ATOM 666 CB ASP A 82 -20.953 -13.910 42.106 1.00 0.00 C ATOM 667 CG ASP A 82 -21.262 -12.408 42.185 1.00 0.00 C ATOM 668 OD1 ASP A 82 -20.936 -11.706 41.244 1.00 0.00 O ATOM 669 OD2 ASP A 82 -21.818 -11.990 43.187 1.00 0.00 O ATOM 0 H ASP A 82 -19.287 -13.072 40.434 1.00 0.00 H new ATOM 0 HA ASP A 82 -20.770 -15.452 40.605 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -21.688 -14.470 42.685 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -19.978 -14.111 42.549 1.00 0.00 H new ATOM 670 N ASP A 83 -22.516 -12.998 39.368 1.00 0.00 N ATOM 671 CA ASP A 83 -23.834 -12.676 38.745 1.00 0.00 C ATOM 672 C ASP A 83 -23.656 -12.474 37.237 1.00 0.00 C ATOM 673 O ASP A 83 -24.489 -12.876 36.448 1.00 0.00 O ATOM 674 CB ASP A 83 -24.394 -11.396 39.371 1.00 0.00 C ATOM 675 CG ASP A 83 -25.250 -11.755 40.587 1.00 0.00 C ATOM 676 OD1 ASP A 83 -26.323 -12.301 40.392 1.00 0.00 O ATOM 677 OD2 ASP A 83 -24.818 -11.478 41.694 1.00 0.00 O ATOM 0 H ASP A 83 -21.790 -12.294 39.232 1.00 0.00 H new ATOM 0 HA ASP A 83 -24.527 -13.499 38.918 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -23.578 -10.737 39.669 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -24.992 -10.852 38.640 1.00 0.00 H new ATOM 678 N ARG A 84 -22.573 -11.855 36.831 1.00 0.00 N ATOM 679 CA ARG A 84 -22.332 -11.625 35.374 1.00 0.00 C ATOM 680 C ARG A 84 -22.290 -12.967 34.637 1.00 0.00 C ATOM 681 O ARG A 84 -21.566 -13.870 35.015 1.00 0.00 O ATOM 682 CB ARG A 84 -20.995 -10.904 35.186 1.00 0.00 C ATOM 683 CG ARG A 84 -21.049 -10.043 33.922 1.00 0.00 C ATOM 684 CD ARG A 84 -21.173 -10.947 32.694 1.00 0.00 C ATOM 685 NE ARG A 84 -20.638 -10.235 31.498 1.00 0.00 N ATOM 686 CZ ARG A 84 -20.575 -10.848 30.348 1.00 0.00 C ATOM 687 NH1 ARG A 84 -21.610 -11.507 29.903 1.00 0.00 N ATOM 688 NH2 ARG A 84 -19.479 -10.801 29.643 1.00 0.00 N ATOM 0 H ARG A 84 -21.844 -11.499 37.449 1.00 0.00 H new ATOM 0 HA ARG A 84 -23.139 -11.015 34.969 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -20.782 -10.280 36.054 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -20.186 -11.631 35.109 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -21.897 -9.359 33.971 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -20.150 -9.431 33.847 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -20.623 -11.874 32.855 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -22.216 -11.219 32.533 1.00 0.00 H new ATOM 0 HE ARG A 84 -20.321 -9.269 31.579 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -22.467 -11.543 30.454 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -21.561 -11.986 29.004 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -18.671 -10.285 29.991 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -19.430 -11.280 28.744 1.00 0.00 H new ATOM 689 N SER A 85 -23.067 -13.104 33.592 1.00 0.00 N ATOM 690 CA SER A 85 -23.082 -14.385 32.825 1.00 0.00 C ATOM 691 C SER A 85 -21.699 -14.641 32.224 1.00 0.00 C ATOM 692 O SER A 85 -21.354 -14.102 31.188 1.00 0.00 O ATOM 693 CB SER A 85 -24.117 -14.293 31.702 1.00 0.00 C ATOM 694 OG SER A 85 -25.397 -14.033 32.263 1.00 0.00 O ATOM 0 H SER A 85 -23.693 -12.381 33.237 1.00 0.00 H new ATOM 0 HA SER A 85 -23.342 -15.205 33.495 1.00 0.00 H new ATOM 0 HB2 SER A 85 -23.845 -13.500 31.005 1.00 0.00 H new ATOM 0 HB3 SER A 85 -24.138 -15.223 31.134 1.00 0.00 H new ATOM 0 HG SER A 85 -26.062 -13.972 31.546 1.00 0.00 H new ATOM 695 N LYS A 86 -20.906 -15.460 32.866 1.00 0.00 N ATOM 696 CA LYS A 86 -19.542 -15.759 32.339 1.00 0.00 C ATOM 697 C LYS A 86 -18.870 -16.808 33.230 1.00 0.00 C ATOM 698 O LYS A 86 -17.677 -16.759 33.466 1.00 0.00 O ATOM 699 CB LYS A 86 -18.705 -14.479 32.336 1.00 0.00 C ATOM 700 CG LYS A 86 -17.736 -14.506 31.151 1.00 0.00 C ATOM 701 CD LYS A 86 -17.527 -13.084 30.629 1.00 0.00 C ATOM 702 CE LYS A 86 -16.282 -12.478 31.280 1.00 0.00 C ATOM 703 NZ LYS A 86 -15.063 -13.003 30.604 1.00 0.00 N ATOM 0 H LYS A 86 -21.146 -15.936 33.736 1.00 0.00 H new ATOM 0 HA LYS A 86 -19.621 -16.143 31.322 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -19.355 -13.607 32.268 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -18.151 -14.392 33.271 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -16.782 -14.936 31.457 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.132 -15.141 30.358 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -17.414 -13.096 29.545 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -18.401 -12.472 30.851 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -16.312 -11.391 31.206 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.257 -12.725 32.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.264 -12.988 31.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.234 -13.979 30.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.839 -12.408 29.781 1.00 0.00 H new ATOM 704 N ILE A 87 -19.628 -17.753 33.722 1.00 0.00 N ATOM 705 CA ILE A 87 -19.043 -18.811 34.598 1.00 0.00 C ATOM 706 C ILE A 87 -19.899 -20.076 34.514 1.00 0.00 C ATOM 707 O ILE A 87 -21.096 -20.011 34.304 1.00 0.00 O ATOM 708 CB ILE A 87 -19.008 -18.314 36.046 1.00 0.00 C ATOM 709 CG1 ILE A 87 -20.407 -17.852 36.460 1.00 0.00 C ATOM 710 CG2 ILE A 87 -18.031 -17.144 36.160 1.00 0.00 C ATOM 711 CD1 ILE A 87 -20.544 -17.938 37.982 1.00 0.00 C ATOM 0 H ILE A 87 -20.631 -17.838 33.554 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.029 -19.036 34.266 1.00 0.00 H new ATOM 0 HB ILE A 87 -18.684 -19.123 36.700 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -20.577 -16.828 36.126 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -21.163 -18.473 35.981 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -18.006 -16.790 37.191 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -17.034 -17.472 35.865 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -18.355 -16.334 35.506 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -21.540 -17.609 38.277 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -20.392 -18.968 38.303 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -19.797 -17.298 38.451 1.00 0.00 H new ATOM 712 N ALA A 88 -19.294 -21.225 34.677 1.00 0.00 N ATOM 713 CA ALA A 88 -20.065 -22.500 34.609 1.00 0.00 C ATOM 714 C ALA A 88 -20.573 -22.863 36.006 1.00 0.00 C ATOM 715 O ALA A 88 -20.150 -22.296 36.996 1.00 0.00 O ATOM 716 CB ALA A 88 -19.157 -23.617 34.090 1.00 0.00 C ATOM 0 H ALA A 88 -18.296 -21.334 34.855 1.00 0.00 H new ATOM 0 HA ALA A 88 -20.912 -22.378 33.935 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -19.719 -24.549 34.040 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -18.794 -23.358 33.095 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -18.310 -23.740 34.765 1.00 0.00 H new ATOM 717 N LYS A 89 -21.477 -23.807 36.090 1.00 0.00 N ATOM 718 CA LYS A 89 -22.021 -24.214 37.420 1.00 0.00 C ATOM 719 C LYS A 89 -21.025 -25.155 38.124 1.00 0.00 C ATOM 720 O LYS A 89 -20.660 -24.907 39.257 1.00 0.00 O ATOM 721 CB LYS A 89 -23.369 -24.924 37.231 1.00 0.00 C ATOM 722 CG LYS A 89 -24.409 -24.329 38.186 1.00 0.00 C ATOM 723 CD LYS A 89 -24.792 -22.926 37.715 1.00 0.00 C ATOM 724 CE LYS A 89 -25.223 -22.083 38.917 1.00 0.00 C ATOM 725 NZ LYS A 89 -24.014 -21.594 39.638 1.00 0.00 N ATOM 0 H LYS A 89 -21.862 -24.314 35.293 1.00 0.00 H new ATOM 0 HA LYS A 89 -22.168 -23.327 38.036 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -23.705 -24.816 36.200 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -23.257 -25.992 37.420 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -25.293 -24.966 38.221 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -24.007 -24.287 39.198 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -23.946 -22.456 37.213 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -25.603 -22.984 36.989 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -25.828 -21.239 38.585 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -25.844 -22.677 39.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -24.293 -20.876 40.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -23.554 -22.390 40.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -23.350 -21.174 38.957 1.00 0.00 H new ATOM 726 N PRO A 90 -20.604 -26.213 37.450 1.00 0.00 N ATOM 727 CA PRO A 90 -19.636 -27.204 38.019 1.00 0.00 C ATOM 728 C PRO A 90 -18.202 -26.683 37.892 1.00 0.00 C ATOM 729 O PRO A 90 -17.919 -25.811 37.092 1.00 0.00 O ATOM 730 CB PRO A 90 -19.840 -28.441 37.156 1.00 0.00 C ATOM 731 CG PRO A 90 -20.409 -27.972 35.826 1.00 0.00 C ATOM 732 CD PRO A 90 -21.012 -26.581 36.046 1.00 0.00 C ATOM 0 HA PRO A 90 -19.797 -27.399 39.079 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -18.897 -28.966 37.007 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -20.521 -29.140 37.641 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -19.628 -27.935 35.067 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -21.169 -28.667 35.468 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -20.630 -25.863 35.320 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -22.097 -26.597 35.939 1.00 0.00 H new ATOM 733 N SER A 91 -17.299 -27.212 38.678 1.00 0.00 N ATOM 734 CA SER A 91 -15.880 -26.754 38.612 1.00 0.00 C ATOM 735 C SER A 91 -14.991 -27.737 39.378 1.00 0.00 C ATOM 736 O SER A 91 -14.252 -28.505 38.791 1.00 0.00 O ATOM 737 CB SER A 91 -15.762 -25.365 39.238 1.00 0.00 C ATOM 738 OG SER A 91 -16.688 -25.253 40.311 1.00 0.00 O ATOM 0 H SER A 91 -17.485 -27.943 39.364 1.00 0.00 H new ATOM 0 HA SER A 91 -15.561 -26.710 37.571 1.00 0.00 H new ATOM 0 HB2 SER A 91 -14.747 -25.202 39.600 1.00 0.00 H new ATOM 0 HB3 SER A 91 -15.961 -24.598 38.489 1.00 0.00 H new ATOM 0 HG SER A 91 -16.614 -24.364 40.716 1.00 0.00 H new ATOM 739 N GLU A 92 -15.059 -27.715 40.685 1.00 0.00 N ATOM 740 CA GLU A 92 -14.221 -28.644 41.499 1.00 0.00 C ATOM 741 C GLU A 92 -14.556 -28.466 42.982 1.00 0.00 C ATOM 742 O GLU A 92 -14.674 -29.428 43.719 1.00 0.00 O ATOM 743 CB GLU A 92 -12.741 -28.331 41.270 1.00 0.00 C ATOM 744 CG GLU A 92 -12.484 -26.847 41.540 1.00 0.00 C ATOM 745 CD GLU A 92 -11.099 -26.465 41.016 1.00 0.00 C ATOM 746 OE1 GLU A 92 -10.912 -26.500 39.811 1.00 0.00 O ATOM 747 OE2 GLU A 92 -10.246 -26.144 41.828 1.00 0.00 O ATOM 0 H GLU A 92 -15.661 -27.092 41.224 1.00 0.00 H new ATOM 0 HA GLU A 92 -14.425 -29.672 41.201 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.123 -28.943 41.927 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.460 -28.579 40.246 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.248 -26.240 41.054 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.548 -26.645 42.609 1.00 0.00 H new ATOM 748 N THR A 93 -14.710 -27.242 43.421 1.00 0.00 N ATOM 749 CA THR A 93 -15.037 -26.991 44.855 1.00 0.00 C ATOM 750 C THR A 93 -15.285 -25.496 45.067 1.00 0.00 C ATOM 751 O THR A 93 -14.754 -24.664 44.356 1.00 0.00 O ATOM 752 CB THR A 93 -13.869 -27.445 45.732 1.00 0.00 C ATOM 753 OG1 THR A 93 -14.120 -27.079 47.082 1.00 0.00 O ATOM 754 CG2 THR A 93 -12.578 -26.777 45.254 1.00 0.00 C ATOM 0 H THR A 93 -14.623 -26.405 42.845 1.00 0.00 H new ATOM 0 HA THR A 93 -15.933 -27.550 45.127 1.00 0.00 H new ATOM 0 HB THR A 93 -13.764 -28.528 45.662 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.373 -27.371 47.645 1.00 0.00 H new ATOM 0 HG21 THR A 93 -11.747 -27.102 45.880 1.00 0.00 H new ATOM 0 HG22 THR A 93 -12.384 -27.059 44.219 1.00 0.00 H new ATOM 0 HG23 THR A 93 -12.682 -25.694 45.322 1.00 0.00 H new ATOM 755 N LEU A 94 -16.087 -25.152 46.042 1.00 0.00 N ATOM 756 CA LEU A 94 -16.375 -23.713 46.311 1.00 0.00 C ATOM 757 C LEU A 94 -15.774 -23.315 47.660 1.00 0.00 C ATOM 758 O LEU A 94 -15.880 -22.151 48.013 1.00 0.00 O ATOM 759 CB LEU A 94 -17.890 -23.493 46.341 1.00 0.00 C ATOM 760 CG LEU A 94 -18.527 -24.459 47.341 1.00 0.00 C ATOM 761 CD1 LEU A 94 -19.727 -23.785 48.010 1.00 0.00 C ATOM 762 CD2 LEU A 94 -18.997 -25.717 46.605 1.00 0.00 C ATOM 763 OXT LEU A 94 -15.218 -24.179 48.317 1.00 0.00 O ATOM 0 H LEU A 94 -16.556 -25.809 46.665 1.00 0.00 H new ATOM 0 HA LEU A 94 -15.935 -23.101 45.524 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -18.113 -22.464 46.621 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -18.311 -23.651 45.348 1.00 0.00 H new ATOM 0 HG LEU A 94 -17.793 -24.732 48.100 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -20.181 -24.474 48.723 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -19.396 -22.888 48.533 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -20.461 -23.512 47.251 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -19.451 -26.407 47.317 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -19.731 -25.442 45.847 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -18.144 -26.199 46.127 1.00 0.00 H new TER 764 LEU A 94