USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 832 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -170:sc= -0.0243 (180deg=-0.0913) USER MOD Single : A 7 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.1) USER MOD Single : A 11 SER OG : rot -120:sc= -0.599 USER MOD Single : A 28 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.2) USER MOD Single : A 29 TYR OH : rot -171:sc= -14.2! USER MOD Single : A 31 TYR OH : rot -122:sc= -12.2! USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 37 THR OG1 : rot 180:sc= -1.04! USER MOD Single : A 39 ASN : amide:sc= 0.228! C(o=0.23!,f=-8.1!) USER MOD Single : A 40 HIS : no HD1:sc= -28.3! C(o=-28!,f=-35!) USER MOD Single : A 42 GLN : amide:sc= -0.169 K(o=-0.17,f=-2.3!) USER MOD Single : A 45 ASN :FLIP amide:sc= 1.2 F(o=-0.076,f=1.2) USER MOD Single : A 47 GLN : amide:sc= -14.5! C(o=-15!,f=-23!) USER MOD Single : A 48 THR OG1 : rot 74:sc= 1.2 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.32 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -160:sc= 0 USER MOD Single : A 55 MET CE :methyl -148:sc= 0 (180deg=-0.748) USER MOD Single : A 63 SER OG : rot 106:sc= 0.0282 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -77:sc= -0.219 USER MOD Single : A 77 GLN :FLIP amide:sc= -1.35 F(o=-1.9,f=-1.3) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0679) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.225 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -44.344 27.881 -11.289 1.00 0.00 N ATOM 2 CA MET A 1 -43.912 26.639 -10.597 1.00 0.00 C ATOM 3 C MET A 1 -43.728 25.494 -11.587 1.00 0.00 C ATOM 4 O MET A 1 -44.564 25.278 -12.464 1.00 0.00 O ATOM 5 CB MET A 1 -44.966 26.270 -9.551 1.00 0.00 C ATOM 6 CG MET A 1 -44.381 25.670 -8.283 1.00 0.00 C ATOM 7 SD MET A 1 -43.600 26.905 -7.226 1.00 0.00 S ATOM 8 CE MET A 1 -43.106 25.894 -5.832 1.00 0.00 C ATOM 0 H1 MET A 1 -44.462 28.644 -10.592 1.00 0.00 H new ATOM 0 H2 MET A 1 -43.624 28.158 -11.987 1.00 0.00 H new ATOM 0 H3 MET A 1 -45.249 27.712 -11.773 1.00 0.00 H new ATOM 0 HA MET A 1 -42.951 26.814 -10.114 1.00 0.00 H new ATOM 0 HB2 MET A 1 -45.536 27.162 -9.291 1.00 0.00 H new ATOM 0 HB3 MET A 1 -45.667 25.560 -9.989 1.00 0.00 H new ATOM 0 HG2 MET A 1 -45.171 25.168 -7.725 1.00 0.00 H new ATOM 0 HG3 MET A 1 -43.647 24.910 -8.550 1.00 0.00 H new ATOM 0 HE1 MET A 1 -42.607 26.517 -5.090 1.00 0.00 H new ATOM 0 HE2 MET A 1 -43.988 25.433 -5.386 1.00 0.00 H new ATOM 0 HE3 MET A 1 -42.422 25.116 -6.171 1.00 0.00 H new ATOM 20 N GLU A 2 -42.628 24.764 -11.441 1.00 0.00 N ATOM 21 CA GLU A 2 -42.335 23.640 -12.322 1.00 0.00 C ATOM 22 C GLU A 2 -42.696 22.317 -11.656 1.00 0.00 C ATOM 23 O GLU A 2 -43.744 21.735 -11.935 1.00 0.00 O ATOM 24 CB GLU A 2 -40.855 23.640 -12.709 1.00 0.00 C ATOM 25 CG GLU A 2 -40.608 23.971 -14.172 1.00 0.00 C ATOM 26 CD GLU A 2 -40.035 25.361 -14.367 1.00 0.00 C ATOM 27 OE1 GLU A 2 -38.801 25.515 -14.254 1.00 0.00 O ATOM 28 OE2 GLU A 2 -40.820 26.294 -14.634 1.00 0.00 O ATOM 0 H GLU A 2 -41.925 24.930 -10.721 1.00 0.00 H new ATOM 0 HA GLU A 2 -42.940 23.751 -13.222 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -40.326 24.362 -12.087 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -40.431 22.660 -12.490 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -39.923 23.237 -14.596 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -41.545 23.888 -14.723 1.00 0.00 H new ATOM 35 N ALA A 3 -41.820 21.848 -10.774 1.00 0.00 N ATOM 36 CA ALA A 3 -42.044 20.592 -10.069 1.00 0.00 C ATOM 37 C ALA A 3 -41.663 19.402 -10.941 1.00 0.00 C ATOM 38 O ALA A 3 -42.527 18.715 -11.485 1.00 0.00 O ATOM 39 CB ALA A 3 -43.496 20.484 -9.629 1.00 0.00 C ATOM 0 H ALA A 3 -40.949 22.319 -10.531 1.00 0.00 H new ATOM 0 HA ALA A 3 -41.408 20.581 -9.184 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -43.648 19.541 -9.104 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -43.737 21.313 -8.963 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -44.145 20.521 -10.504 1.00 0.00 H new ATOM 45 N ARG A 4 -40.362 19.165 -11.068 1.00 0.00 N ATOM 46 CA ARG A 4 -39.861 18.057 -11.872 1.00 0.00 C ATOM 47 C ARG A 4 -38.719 17.348 -11.153 1.00 0.00 C ATOM 48 O ARG A 4 -38.802 16.154 -10.859 1.00 0.00 O ATOM 49 CB ARG A 4 -39.389 18.563 -13.237 1.00 0.00 C ATOM 50 CG ARG A 4 -38.627 17.524 -14.043 1.00 0.00 C ATOM 51 CD ARG A 4 -38.331 18.019 -15.450 1.00 0.00 C ATOM 52 NE ARG A 4 -38.261 16.924 -16.413 1.00 0.00 N ATOM 53 CZ ARG A 4 -38.222 17.103 -17.729 1.00 0.00 C ATOM 54 NH1 ARG A 4 -38.252 18.329 -18.235 1.00 0.00 N ATOM 55 NH2 ARG A 4 -38.154 16.056 -18.541 1.00 0.00 N ATOM 0 H ARG A 4 -39.635 19.726 -10.624 1.00 0.00 H new ATOM 0 HA ARG A 4 -40.673 17.345 -12.021 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -40.255 18.893 -13.812 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -38.752 19.435 -13.091 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -37.692 17.283 -13.537 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -39.208 16.603 -14.095 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -39.105 18.722 -15.757 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -37.387 18.564 -15.451 1.00 0.00 H new ATOM 0 HE ARG A 4 -38.241 15.969 -16.056 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -38.305 19.136 -17.614 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -38.222 18.465 -19.246 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -38.132 15.112 -18.155 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -38.124 16.195 -19.551 1.00 0.00 H new ATOM 69 N ASP A 5 -37.656 18.093 -10.863 1.00 0.00 N ATOM 70 CA ASP A 5 -36.502 17.537 -10.169 1.00 0.00 C ATOM 71 C ASP A 5 -36.830 17.304 -8.700 1.00 0.00 C ATOM 72 O ASP A 5 -36.415 16.308 -8.109 1.00 0.00 O ATOM 73 CB ASP A 5 -35.301 18.476 -10.293 1.00 0.00 C ATOM 74 CG ASP A 5 -34.787 18.573 -11.716 1.00 0.00 C ATOM 75 OD1 ASP A 5 -35.057 17.646 -12.509 1.00 0.00 O ATOM 76 OD2 ASP A 5 -34.115 19.575 -12.038 1.00 0.00 O ATOM 0 H ASP A 5 -37.571 19.082 -11.098 1.00 0.00 H new ATOM 0 HA ASP A 5 -36.250 16.582 -10.630 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -35.582 19.469 -9.943 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -34.500 18.124 -9.643 1.00 0.00 H new ATOM 81 N LYS A 6 -37.587 18.230 -8.120 1.00 0.00 N ATOM 82 CA LYS A 6 -37.983 18.133 -6.730 1.00 0.00 C ATOM 83 C LYS A 6 -38.932 16.959 -6.523 1.00 0.00 C ATOM 84 O LYS A 6 -38.936 16.329 -5.466 1.00 0.00 O ATOM 85 CB LYS A 6 -38.651 19.434 -6.300 1.00 0.00 C ATOM 86 CG LYS A 6 -39.702 19.929 -7.282 1.00 0.00 C ATOM 87 CD LYS A 6 -41.101 19.782 -6.715 1.00 0.00 C ATOM 88 CE LYS A 6 -41.587 21.078 -6.084 1.00 0.00 C ATOM 89 NZ LYS A 6 -40.665 21.555 -5.016 1.00 0.00 N ATOM 0 H LYS A 6 -37.938 19.059 -8.600 1.00 0.00 H new ATOM 0 HA LYS A 6 -37.096 17.964 -6.120 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -39.116 19.290 -5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -37.888 20.203 -6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -39.513 20.975 -7.523 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -39.624 19.369 -8.214 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -41.786 19.483 -7.508 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -41.111 18.987 -5.969 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -41.679 21.844 -6.854 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -42.582 20.927 -5.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -41.110 22.339 -4.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -40.463 20.775 -4.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -39.777 21.884 -5.446 1.00 0.00 H new ATOM 103 N GLN A 7 -39.732 16.666 -7.545 1.00 0.00 N ATOM 104 CA GLN A 7 -40.679 15.562 -7.474 1.00 0.00 C ATOM 105 C GLN A 7 -39.943 14.235 -7.433 1.00 0.00 C ATOM 106 O GLN A 7 -40.351 13.302 -6.743 1.00 0.00 O ATOM 107 CB GLN A 7 -41.642 15.597 -8.663 1.00 0.00 C ATOM 108 CG GLN A 7 -42.873 16.458 -8.428 1.00 0.00 C ATOM 109 CD GLN A 7 -43.792 15.886 -7.366 1.00 0.00 C ATOM 110 OE1 GLN A 7 -43.739 14.696 -7.058 1.00 0.00 O ATOM 111 NE2 GLN A 7 -44.643 16.734 -6.800 1.00 0.00 N ATOM 0 H GLN A 7 -39.742 17.177 -8.428 1.00 0.00 H new ATOM 0 HA GLN A 7 -41.259 15.669 -6.558 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -41.111 15.970 -9.539 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -41.959 14.580 -8.892 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -42.560 17.459 -8.131 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -43.424 16.560 -9.363 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -44.653 17.713 -7.086 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -45.286 16.406 -6.080 1.00 0.00 H new ATOM 120 N VAL A 8 -38.840 14.172 -8.160 1.00 0.00 N ATOM 121 CA VAL A 8 -38.020 12.982 -8.197 1.00 0.00 C ATOM 122 C VAL A 8 -37.361 12.781 -6.850 1.00 0.00 C ATOM 123 O VAL A 8 -37.449 11.712 -6.247 1.00 0.00 O ATOM 124 CB VAL A 8 -36.934 13.089 -9.273 1.00 0.00 C ATOM 125 CG1 VAL A 8 -36.549 11.711 -9.756 1.00 0.00 C ATOM 126 CG2 VAL A 8 -37.409 13.954 -10.427 1.00 0.00 C ATOM 0 H VAL A 8 -38.493 14.940 -8.735 1.00 0.00 H new ATOM 0 HA VAL A 8 -38.663 12.135 -8.435 1.00 0.00 H new ATOM 0 HB VAL A 8 -36.054 13.563 -8.839 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -35.777 11.796 -10.521 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -36.168 11.125 -8.919 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -37.424 11.216 -10.177 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -36.624 14.018 -11.181 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -38.302 13.512 -10.869 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -37.642 14.954 -10.060 1.00 0.00 H new ATOM 136 N LEU A 9 -36.720 13.838 -6.375 1.00 0.00 N ATOM 137 CA LEU A 9 -36.064 13.812 -5.089 1.00 0.00 C ATOM 138 C LEU A 9 -36.963 13.152 -4.063 1.00 0.00 C ATOM 139 O LEU A 9 -36.679 12.060 -3.587 1.00 0.00 O ATOM 140 CB LEU A 9 -35.756 15.236 -4.649 1.00 0.00 C ATOM 141 CG LEU A 9 -34.284 15.617 -4.681 1.00 0.00 C ATOM 142 CD1 LEU A 9 -33.493 14.761 -3.706 1.00 0.00 C ATOM 143 CD2 LEU A 9 -33.725 15.478 -6.086 1.00 0.00 C ATOM 0 H LEU A 9 -36.643 14.727 -6.869 1.00 0.00 H new ATOM 0 HA LEU A 9 -35.137 13.244 -5.172 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -36.308 15.925 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -36.129 15.375 -3.634 1.00 0.00 H new ATOM 0 HG LEU A 9 -34.193 16.660 -4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -32.442 15.046 -3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -33.876 14.911 -2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -33.593 13.711 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -32.671 15.755 -6.087 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -33.829 14.445 -6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -34.273 16.134 -6.762 1.00 0.00 H new ATOM 155 N ARG A 10 -38.050 13.842 -3.741 1.00 0.00 N ATOM 156 CA ARG A 10 -39.030 13.359 -2.766 1.00 0.00 C ATOM 157 C ARG A 10 -39.407 11.898 -3.015 1.00 0.00 C ATOM 158 O ARG A 10 -39.239 11.042 -2.140 1.00 0.00 O ATOM 159 CB ARG A 10 -40.288 14.232 -2.812 1.00 0.00 C ATOM 160 CG ARG A 10 -40.792 14.654 -1.440 1.00 0.00 C ATOM 161 CD ARG A 10 -41.990 13.824 -1.007 1.00 0.00 C ATOM 162 NE ARG A 10 -43.080 14.653 -0.500 1.00 0.00 N ATOM 163 CZ ARG A 10 -43.145 15.101 0.749 1.00 0.00 C ATOM 164 NH1 ARG A 10 -42.180 14.812 1.611 1.00 0.00 N ATOM 165 NH2 ARG A 10 -44.174 15.843 1.137 1.00 0.00 N ATOM 0 H ARG A 10 -38.280 14.750 -4.145 1.00 0.00 H new ATOM 0 HA ARG A 10 -38.572 13.423 -1.779 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -40.079 15.124 -3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -41.079 13.687 -3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -39.991 14.548 -0.708 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -41.067 15.709 -1.461 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -42.346 13.235 -1.852 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -41.682 13.119 -0.235 1.00 0.00 H new ATOM 0 HE ARG A 10 -43.834 14.902 -1.141 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -41.385 14.245 1.316 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -42.232 15.157 2.569 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -44.917 16.070 0.476 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -44.222 16.186 2.096 1.00 0.00 H new ATOM 179 N SER A 11 -39.925 11.615 -4.205 1.00 0.00 N ATOM 180 CA SER A 11 -40.327 10.256 -4.552 1.00 0.00 C ATOM 181 C SER A 11 -39.271 9.254 -4.098 1.00 0.00 C ATOM 182 O SER A 11 -39.431 8.578 -3.078 1.00 0.00 O ATOM 183 CB SER A 11 -40.552 10.136 -6.060 1.00 0.00 C ATOM 184 OG SER A 11 -41.931 10.205 -6.378 1.00 0.00 O ATOM 0 H SER A 11 -40.076 12.304 -4.942 1.00 0.00 H new ATOM 0 HA SER A 11 -41.262 10.033 -4.039 1.00 0.00 H new ATOM 0 HB2 SER A 11 -40.017 10.934 -6.575 1.00 0.00 H new ATOM 0 HB3 SER A 11 -40.140 9.193 -6.418 1.00 0.00 H new ATOM 0 HG SER A 11 -42.204 9.379 -6.830 1.00 0.00 H new ATOM 190 N LEU A 12 -38.186 9.170 -4.857 1.00 0.00 N ATOM 191 CA LEU A 12 -37.099 8.261 -4.531 1.00 0.00 C ATOM 192 C LEU A 12 -36.527 8.578 -3.156 1.00 0.00 C ATOM 193 O LEU A 12 -35.902 7.728 -2.524 1.00 0.00 O ATOM 194 CB LEU A 12 -35.998 8.354 -5.589 1.00 0.00 C ATOM 195 CG LEU A 12 -36.093 7.329 -6.722 1.00 0.00 C ATOM 196 CD1 LEU A 12 -35.176 6.147 -6.449 1.00 0.00 C ATOM 197 CD2 LEU A 12 -37.531 6.860 -6.901 1.00 0.00 C ATOM 0 H LEU A 12 -38.037 9.721 -5.702 1.00 0.00 H new ATOM 0 HA LEU A 12 -37.494 7.245 -4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -36.017 9.354 -6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -35.033 8.239 -5.096 1.00 0.00 H new ATOM 0 HG LEU A 12 -35.771 7.808 -7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -35.256 5.428 -7.264 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -34.146 6.496 -6.373 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -35.467 5.669 -5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -37.578 6.132 -7.711 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -37.881 6.399 -5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -38.165 7.713 -7.143 1.00 0.00 H new ATOM 209 N ARG A 13 -36.744 9.808 -2.696 1.00 0.00 N ATOM 210 CA ARG A 13 -36.241 10.230 -1.390 1.00 0.00 C ATOM 211 C ARG A 13 -36.419 9.122 -0.366 1.00 0.00 C ATOM 212 O ARG A 13 -35.449 8.509 0.079 1.00 0.00 O ATOM 213 CB ARG A 13 -36.958 11.492 -0.901 1.00 0.00 C ATOM 214 CG ARG A 13 -36.025 12.511 -0.274 1.00 0.00 C ATOM 215 CD ARG A 13 -36.787 13.538 0.549 1.00 0.00 C ATOM 216 NE ARG A 13 -38.063 13.018 1.032 1.00 0.00 N ATOM 217 CZ ARG A 13 -38.169 12.102 1.989 1.00 0.00 C ATOM 218 NH1 ARG A 13 -37.079 11.605 2.558 1.00 0.00 N ATOM 219 NH2 ARG A 13 -39.366 11.685 2.379 1.00 0.00 N ATOM 0 H ARG A 13 -37.261 10.526 -3.204 1.00 0.00 H new ATOM 0 HA ARG A 13 -35.180 10.452 -1.504 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -37.477 11.954 -1.741 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -37.718 11.210 -0.172 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -35.301 12.000 0.361 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -35.460 13.018 -1.057 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -36.177 13.846 1.398 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -36.964 14.427 -0.056 1.00 0.00 H new ATOM 0 HE ARG A 13 -38.920 13.378 0.612 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -36.157 11.926 2.261 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -37.162 10.902 3.292 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -40.206 12.067 1.944 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -39.447 10.982 3.114 1.00 0.00 H new ATOM 233 N LEU A 14 -37.668 8.870 0.006 1.00 0.00 N ATOM 234 CA LEU A 14 -37.978 7.836 0.980 1.00 0.00 C ATOM 235 C LEU A 14 -37.770 6.449 0.381 1.00 0.00 C ATOM 236 O LEU A 14 -37.414 5.506 1.088 1.00 0.00 O ATOM 237 CB LEU A 14 -39.419 7.983 1.456 1.00 0.00 C ATOM 238 CG LEU A 14 -40.451 7.343 0.534 1.00 0.00 C ATOM 239 CD1 LEU A 14 -41.133 6.170 1.224 1.00 0.00 C ATOM 240 CD2 LEU A 14 -41.476 8.372 0.082 1.00 0.00 C ATOM 0 H LEU A 14 -38.482 9.369 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 14 -37.304 7.951 1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -39.509 7.539 2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -39.649 9.043 1.560 1.00 0.00 H new ATOM 0 HG LEU A 14 -39.935 6.965 -0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -41.866 5.727 0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -40.387 5.422 1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -41.635 6.520 2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -42.204 7.896 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -41.987 8.783 0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -40.972 9.175 -0.456 1.00 0.00 H new ATOM 252 N GLU A 15 -37.996 6.329 -0.926 1.00 0.00 N ATOM 253 CA GLU A 15 -37.832 5.053 -1.609 1.00 0.00 C ATOM 254 C GLU A 15 -36.459 4.473 -1.313 1.00 0.00 C ATOM 255 O GLU A 15 -36.322 3.554 -0.504 1.00 0.00 O ATOM 256 CB GLU A 15 -38.018 5.228 -3.117 1.00 0.00 C ATOM 257 CG GLU A 15 -38.919 4.180 -3.747 1.00 0.00 C ATOM 258 CD GLU A 15 -38.139 3.006 -4.307 1.00 0.00 C ATOM 259 OE1 GLU A 15 -37.228 2.513 -3.610 1.00 0.00 O ATOM 260 OE2 GLU A 15 -38.439 2.582 -5.443 1.00 0.00 O ATOM 0 H GLU A 15 -38.292 7.097 -1.528 1.00 0.00 H new ATOM 0 HA GLU A 15 -38.592 4.362 -1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -38.435 6.216 -3.310 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -37.042 5.193 -3.601 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -39.628 3.819 -3.002 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -39.502 4.639 -4.545 1.00 0.00 H new ATOM 267 N LEU A 16 -35.442 5.029 -1.955 1.00 0.00 N ATOM 268 CA LEU A 16 -34.076 4.582 -1.742 1.00 0.00 C ATOM 269 C LEU A 16 -33.586 5.041 -0.376 1.00 0.00 C ATOM 270 O LEU A 16 -32.562 4.572 0.120 1.00 0.00 O ATOM 271 CB LEU A 16 -33.157 5.127 -2.834 1.00 0.00 C ATOM 272 CG LEU A 16 -33.399 6.585 -3.226 1.00 0.00 C ATOM 273 CD1 LEU A 16 -33.280 7.494 -2.010 1.00 0.00 C ATOM 274 CD2 LEU A 16 -32.419 7.010 -4.308 1.00 0.00 C ATOM 0 H LEU A 16 -35.538 5.790 -2.627 1.00 0.00 H new ATOM 0 HA LEU A 16 -34.057 3.493 -1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -32.124 5.024 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -33.269 4.506 -3.723 1.00 0.00 H new ATOM 0 HG LEU A 16 -34.411 6.674 -3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -33.455 8.527 -2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -34.019 7.202 -1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -32.280 7.404 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -32.603 8.050 -4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -31.399 6.906 -3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -32.551 6.379 -5.187 1.00 0.00 H new ATOM 286 N GLY A 17 -34.327 5.967 0.226 1.00 0.00 N ATOM 287 CA GLY A 17 -33.953 6.480 1.530 1.00 0.00 C ATOM 288 C GLY A 17 -34.321 5.532 2.654 1.00 0.00 C ATOM 289 O GLY A 17 -33.657 5.503 3.691 1.00 0.00 O ATOM 0 H GLY A 17 -35.178 6.370 -0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -32.879 6.663 1.550 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -34.443 7.440 1.693 1.00 0.00 H new ATOM 293 N ALA A 18 -35.381 4.756 2.453 1.00 0.00 N ATOM 294 CA ALA A 18 -35.832 3.806 3.463 1.00 0.00 C ATOM 295 C ALA A 18 -34.821 2.680 3.650 1.00 0.00 C ATOM 296 O ALA A 18 -34.526 2.278 4.775 1.00 0.00 O ATOM 297 CB ALA A 18 -37.194 3.238 3.088 1.00 0.00 C ATOM 0 H ALA A 18 -35.943 4.766 1.602 1.00 0.00 H new ATOM 0 HA ALA A 18 -35.922 4.339 4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -37.516 2.531 3.852 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -37.919 4.049 3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -37.123 2.727 2.128 1.00 0.00 H new ATOM 303 N GLU A 19 -34.292 2.175 2.540 1.00 0.00 N ATOM 304 CA GLU A 19 -33.312 1.094 2.584 1.00 0.00 C ATOM 305 C GLU A 19 -31.893 1.648 2.663 1.00 0.00 C ATOM 306 O GLU A 19 -31.328 1.785 3.748 1.00 0.00 O ATOM 307 CB GLU A 19 -33.452 0.197 1.352 1.00 0.00 C ATOM 308 CG GLU A 19 -32.398 -0.896 1.269 1.00 0.00 C ATOM 309 CD GLU A 19 -32.419 -1.819 2.471 1.00 0.00 C ATOM 310 OE1 GLU A 19 -31.739 -1.508 3.472 1.00 0.00 O ATOM 311 OE2 GLU A 19 -33.114 -2.855 2.411 1.00 0.00 O ATOM 0 H GLU A 19 -34.525 2.496 1.600 1.00 0.00 H new ATOM 0 HA GLU A 19 -33.503 0.502 3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -34.440 -0.263 1.359 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -33.394 0.814 0.456 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -32.558 -1.481 0.363 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -31.412 -0.439 1.184 1.00 0.00 H new ATOM 318 N VAL A 20 -31.322 1.962 1.504 1.00 0.00 N ATOM 319 CA VAL A 20 -29.969 2.499 1.438 1.00 0.00 C ATOM 320 C VAL A 20 -28.937 1.432 1.793 1.00 0.00 C ATOM 321 O VAL A 20 -29.141 0.639 2.712 1.00 0.00 O ATOM 322 CB VAL A 20 -29.793 3.704 2.382 1.00 0.00 C ATOM 323 CG1 VAL A 20 -28.360 4.213 2.337 1.00 0.00 C ATOM 324 CG2 VAL A 20 -30.771 4.812 2.020 1.00 0.00 C ATOM 0 H VAL A 20 -31.777 1.853 0.597 1.00 0.00 H new ATOM 0 HA VAL A 20 -29.810 2.828 0.411 1.00 0.00 H new ATOM 0 HB VAL A 20 -30.007 3.379 3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -28.255 5.064 3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -27.682 3.418 2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -28.115 4.522 1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -30.633 5.655 2.697 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -30.590 5.136 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -31.792 4.440 2.108 1.00 0.00 H new ATOM 334 N LEU A 21 -27.831 1.416 1.056 1.00 0.00 N ATOM 335 CA LEU A 21 -26.769 0.445 1.293 1.00 0.00 C ATOM 336 C LEU A 21 -25.532 0.777 0.463 1.00 0.00 C ATOM 337 O LEU A 21 -24.915 -0.107 -0.130 1.00 0.00 O ATOM 338 CB LEU A 21 -27.258 -0.966 0.958 1.00 0.00 C ATOM 339 CG LEU A 21 -27.228 -1.959 2.121 1.00 0.00 C ATOM 340 CD1 LEU A 21 -27.764 -3.313 1.682 1.00 0.00 C ATOM 341 CD2 LEU A 21 -25.816 -2.097 2.667 1.00 0.00 C ATOM 0 H LEU A 21 -27.647 2.064 0.290 1.00 0.00 H new ATOM 0 HA LEU A 21 -26.499 0.489 2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -28.280 -0.900 0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -26.647 -1.362 0.147 1.00 0.00 H new ATOM 0 HG LEU A 21 -27.869 -1.577 2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -27.735 -4.006 2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -28.792 -3.203 1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -27.149 -3.702 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -25.813 -2.807 3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -25.154 -2.456 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -25.466 -1.127 3.021 1.00 0.00 H new ATOM 353 N VAL A 22 -25.179 2.058 0.424 1.00 0.00 N ATOM 354 CA VAL A 22 -24.019 2.509 -0.337 1.00 0.00 C ATOM 355 C VAL A 22 -22.869 2.902 0.585 1.00 0.00 C ATOM 356 O VAL A 22 -23.031 2.972 1.803 1.00 0.00 O ATOM 357 CB VAL A 22 -24.371 3.709 -1.234 1.00 0.00 C ATOM 358 CG1 VAL A 22 -25.360 3.297 -2.312 1.00 0.00 C ATOM 359 CG2 VAL A 22 -24.926 4.852 -0.399 1.00 0.00 C ATOM 0 H VAL A 22 -25.679 2.802 0.910 1.00 0.00 H new ATOM 0 HA VAL A 22 -23.708 1.672 -0.962 1.00 0.00 H new ATOM 0 HB VAL A 22 -23.460 4.055 -1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -25.597 4.158 -2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -24.921 2.512 -2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -26.272 2.925 -1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -25.170 5.692 -1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -25.826 4.521 0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -24.181 5.163 0.333 1.00 0.00 H new ATOM 369 N GLU A 23 -21.706 3.160 -0.008 1.00 0.00 N ATOM 370 CA GLU A 23 -20.525 3.546 0.756 1.00 0.00 C ATOM 371 C GLU A 23 -19.292 3.606 -0.142 1.00 0.00 C ATOM 372 O GLU A 23 -18.435 2.722 -0.093 1.00 0.00 O ATOM 373 CB GLU A 23 -20.289 2.557 1.899 1.00 0.00 C ATOM 374 CG GLU A 23 -19.915 3.222 3.213 1.00 0.00 C ATOM 375 CD GLU A 23 -20.416 2.450 4.419 1.00 0.00 C ATOM 376 OE1 GLU A 23 -20.933 1.329 4.233 1.00 0.00 O ATOM 377 OE2 GLU A 23 -20.290 2.967 5.549 1.00 0.00 O ATOM 0 H GLU A 23 -21.557 3.108 -1.016 1.00 0.00 H new ATOM 0 HA GLU A 23 -20.698 4.539 1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -21.191 1.963 2.046 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.496 1.866 1.613 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -18.831 3.318 3.272 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -20.326 4.231 3.235 1.00 0.00 H new ATOM 384 N GLY A 24 -19.206 4.650 -0.962 1.00 0.00 N ATOM 385 CA GLY A 24 -18.071 4.794 -1.857 1.00 0.00 C ATOM 386 C GLY A 24 -17.703 6.243 -2.113 1.00 0.00 C ATOM 387 O GLY A 24 -17.005 6.549 -3.080 1.00 0.00 O ATOM 0 H GLY A 24 -19.899 5.396 -1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.211 4.275 -1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -18.299 4.309 -2.806 1.00 0.00 H new ATOM 391 N LEU A 25 -18.166 7.137 -1.246 1.00 0.00 N ATOM 392 CA LEU A 25 -17.872 8.560 -1.386 1.00 0.00 C ATOM 393 C LEU A 25 -18.588 9.158 -2.592 1.00 0.00 C ATOM 394 O LEU A 25 -18.139 9.017 -3.729 1.00 0.00 O ATOM 395 CB LEU A 25 -16.363 8.778 -1.518 1.00 0.00 C ATOM 396 CG LEU A 25 -15.529 8.253 -0.349 1.00 0.00 C ATOM 397 CD1 LEU A 25 -14.242 7.618 -0.854 1.00 0.00 C ATOM 398 CD2 LEU A 25 -15.224 9.373 0.635 1.00 0.00 C ATOM 0 H LEU A 25 -18.745 6.903 -0.440 1.00 0.00 H new ATOM 0 HA LEU A 25 -18.233 9.065 -0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -16.020 8.297 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -16.174 9.846 -1.629 1.00 0.00 H new ATOM 0 HG LEU A 25 -16.107 7.489 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -13.661 7.250 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -14.482 6.788 -1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -13.659 8.361 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -14.630 8.981 1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.666 10.160 0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -16.157 9.781 1.022 1.00 0.00 H new ATOM 410 N VAL A 26 -19.698 9.840 -2.329 1.00 0.00 N ATOM 411 CA VAL A 26 -20.474 10.479 -3.383 1.00 0.00 C ATOM 412 C VAL A 26 -20.678 11.955 -3.067 1.00 0.00 C ATOM 413 O VAL A 26 -20.571 12.811 -3.945 1.00 0.00 O ATOM 414 CB VAL A 26 -21.844 9.800 -3.574 1.00 0.00 C ATOM 415 CG1 VAL A 26 -21.688 8.288 -3.586 1.00 0.00 C ATOM 416 CG2 VAL A 26 -22.820 10.233 -2.491 1.00 0.00 C ATOM 0 H VAL A 26 -20.080 9.964 -1.392 1.00 0.00 H new ATOM 0 HA VAL A 26 -19.911 10.376 -4.310 1.00 0.00 H new ATOM 0 HB VAL A 26 -22.250 10.113 -4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -22.664 7.823 -3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -21.030 7.997 -4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -21.258 7.959 -2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -23.780 9.740 -2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -22.425 9.956 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -22.956 11.314 -2.534 1.00 0.00 H new ATOM 426 N LEU A 27 -20.950 12.244 -1.798 1.00 0.00 N ATOM 427 CA LEU A 27 -21.149 13.615 -1.345 1.00 0.00 C ATOM 428 C LEU A 27 -19.874 14.433 -1.529 1.00 0.00 C ATOM 429 O LEU A 27 -19.883 15.657 -1.402 1.00 0.00 O ATOM 430 CB LEU A 27 -21.570 13.632 0.127 1.00 0.00 C ATOM 431 CG LEU A 27 -22.669 12.634 0.496 1.00 0.00 C ATOM 432 CD1 LEU A 27 -22.293 11.863 1.751 1.00 0.00 C ATOM 433 CD2 LEU A 27 -23.995 13.352 0.687 1.00 0.00 C ATOM 0 H LEU A 27 -21.038 11.543 -1.063 1.00 0.00 H new ATOM 0 HA LEU A 27 -21.940 14.062 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -20.694 13.429 0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -21.911 14.636 0.380 1.00 0.00 H new ATOM 0 HG LEU A 27 -22.777 11.922 -0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -23.087 11.158 1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -21.365 11.318 1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -22.157 12.559 2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -24.766 12.628 0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -23.899 14.086 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -24.271 13.858 -0.238 1.00 0.00 H new ATOM 445 N GLN A 28 -18.777 13.744 -1.828 1.00 0.00 N ATOM 446 CA GLN A 28 -17.489 14.398 -2.032 1.00 0.00 C ATOM 447 C GLN A 28 -17.479 15.165 -3.348 1.00 0.00 C ATOM 448 O GLN A 28 -17.078 16.328 -3.398 1.00 0.00 O ATOM 449 CB GLN A 28 -16.366 13.362 -2.019 1.00 0.00 C ATOM 450 CG GLN A 28 -16.067 12.804 -0.637 1.00 0.00 C ATOM 451 CD GLN A 28 -14.583 12.612 -0.397 1.00 0.00 C ATOM 452 OE1 GLN A 28 -14.078 12.881 0.694 1.00 0.00 O ATOM 453 NE2 GLN A 28 -13.874 12.146 -1.419 1.00 0.00 N ATOM 0 H GLN A 28 -18.755 12.730 -1.935 1.00 0.00 H new ATOM 0 HA GLN A 28 -17.328 15.106 -1.219 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.634 12.540 -2.683 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.460 13.815 -2.422 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -16.470 13.479 0.119 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.578 11.849 -0.516 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.334 11.936 -2.305 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.870 11.998 -1.318 1.00 0.00 H new ATOM 462 N TYR A 29 -17.954 14.516 -4.405 1.00 0.00 N ATOM 463 CA TYR A 29 -18.035 15.146 -5.715 1.00 0.00 C ATOM 464 C TYR A 29 -19.095 16.226 -5.659 1.00 0.00 C ATOM 465 O TYR A 29 -19.063 17.213 -6.394 1.00 0.00 O ATOM 466 CB TYR A 29 -18.384 14.096 -6.785 1.00 0.00 C ATOM 467 CG TYR A 29 -19.536 14.476 -7.704 1.00 0.00 C ATOM 468 CD1 TYR A 29 -20.857 14.162 -7.386 1.00 0.00 C ATOM 469 CD2 TYR A 29 -19.297 15.141 -8.897 1.00 0.00 C ATOM 470 CE1 TYR A 29 -21.891 14.505 -8.235 1.00 0.00 C ATOM 471 CE2 TYR A 29 -20.324 15.483 -9.747 1.00 0.00 C ATOM 472 CZ TYR A 29 -21.617 15.164 -9.414 1.00 0.00 C ATOM 473 OH TYR A 29 -22.638 15.501 -10.265 1.00 0.00 O ATOM 0 H TYR A 29 -18.289 13.553 -4.379 1.00 0.00 H new ATOM 0 HA TYR A 29 -17.075 15.589 -5.981 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -17.499 13.911 -7.394 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -18.630 13.158 -6.286 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -21.074 13.644 -6.464 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -18.282 15.396 -9.165 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -22.910 14.258 -7.976 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -20.114 16.000 -10.672 1.00 0.00 H new ATOM 0 HH TYR A 29 -22.265 15.830 -11.110 1.00 0.00 H new ATOM 483 N LEU A 30 -20.035 15.997 -4.765 1.00 0.00 N ATOM 484 CA LEU A 30 -21.146 16.886 -4.545 1.00 0.00 C ATOM 485 C LEU A 30 -20.721 18.117 -3.775 1.00 0.00 C ATOM 486 O LEU A 30 -20.544 19.191 -4.344 1.00 0.00 O ATOM 487 CB LEU A 30 -22.196 16.117 -3.771 1.00 0.00 C ATOM 488 CG LEU A 30 -22.669 14.869 -4.487 1.00 0.00 C ATOM 489 CD1 LEU A 30 -23.568 14.033 -3.601 1.00 0.00 C ATOM 490 CD2 LEU A 30 -23.373 15.261 -5.760 1.00 0.00 C ATOM 0 H LEU A 30 -20.044 15.173 -4.164 1.00 0.00 H new ATOM 0 HA LEU A 30 -21.542 17.229 -5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -21.790 15.839 -2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -23.051 16.768 -3.585 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.803 14.254 -4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -23.890 13.145 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -23.021 13.733 -2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -24.441 14.619 -3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -23.715 14.365 -6.278 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -24.230 15.892 -5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -22.685 15.811 -6.402 1.00 0.00 H new ATOM 502 N TYR A 31 -20.553 17.945 -2.476 1.00 0.00 N ATOM 503 CA TYR A 31 -20.137 19.041 -1.612 1.00 0.00 C ATOM 504 C TYR A 31 -19.133 19.922 -2.339 1.00 0.00 C ATOM 505 O TYR A 31 -19.084 21.134 -2.126 1.00 0.00 O ATOM 506 CB TYR A 31 -19.528 18.506 -0.316 1.00 0.00 C ATOM 507 CG TYR A 31 -20.452 18.525 0.887 1.00 0.00 C ATOM 508 CD1 TYR A 31 -20.978 19.718 1.375 1.00 0.00 C ATOM 509 CD2 TYR A 31 -20.767 17.351 1.567 1.00 0.00 C ATOM 510 CE1 TYR A 31 -21.788 19.738 2.484 1.00 0.00 C ATOM 511 CE2 TYR A 31 -21.567 17.372 2.682 1.00 0.00 C ATOM 512 CZ TYR A 31 -22.075 18.566 3.135 1.00 0.00 C ATOM 513 OH TYR A 31 -22.864 18.588 4.249 1.00 0.00 O ATOM 0 H TYR A 31 -20.698 17.058 -1.994 1.00 0.00 H new ATOM 0 HA TYR A 31 -21.015 19.635 -1.358 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -19.198 17.481 -0.484 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -18.640 19.093 -0.081 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -20.745 20.645 0.872 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -20.376 16.409 1.211 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -22.197 20.672 2.841 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -21.797 16.453 3.202 1.00 0.00 H new ATOM 0 HH TYR A 31 -22.375 18.200 5.004 1.00 0.00 H new ATOM 523 N GLN A 32 -18.346 19.307 -3.216 1.00 0.00 N ATOM 524 CA GLN A 32 -17.361 20.042 -3.993 1.00 0.00 C ATOM 525 C GLN A 32 -18.036 20.725 -5.171 1.00 0.00 C ATOM 526 O GLN A 32 -18.018 21.951 -5.280 1.00 0.00 O ATOM 527 CB GLN A 32 -16.252 19.111 -4.485 1.00 0.00 C ATOM 528 CG GLN A 32 -14.981 19.187 -3.655 1.00 0.00 C ATOM 529 CD GLN A 32 -13.855 18.356 -4.237 1.00 0.00 C ATOM 530 OE1 GLN A 32 -14.040 17.185 -4.569 1.00 0.00 O ATOM 531 NE2 GLN A 32 -12.678 18.958 -4.363 1.00 0.00 N ATOM 0 H GLN A 32 -18.373 18.305 -3.404 1.00 0.00 H new ATOM 0 HA GLN A 32 -16.909 20.799 -3.352 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -16.620 18.085 -4.477 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -16.015 19.357 -5.520 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -14.661 20.226 -3.582 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -15.192 18.847 -2.641 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -12.569 19.930 -4.075 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.883 18.448 -4.748 1.00 0.00 H new ATOM 540 N GLU A 33 -18.650 19.932 -6.041 1.00 0.00 N ATOM 541 CA GLU A 33 -19.347 20.484 -7.190 1.00 0.00 C ATOM 542 C GLU A 33 -20.207 21.659 -6.746 1.00 0.00 C ATOM 543 O GLU A 33 -20.301 22.672 -7.439 1.00 0.00 O ATOM 544 CB GLU A 33 -20.216 19.416 -7.856 1.00 0.00 C ATOM 545 CG GLU A 33 -19.510 18.670 -8.976 1.00 0.00 C ATOM 546 CD GLU A 33 -18.708 19.591 -9.874 1.00 0.00 C ATOM 547 OE1 GLU A 33 -17.525 19.842 -9.563 1.00 0.00 O ATOM 548 OE2 GLU A 33 -19.263 20.061 -10.890 1.00 0.00 O ATOM 0 H GLU A 33 -18.678 18.915 -5.972 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.612 20.829 -7.918 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -20.539 18.700 -7.101 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -21.115 19.887 -8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.847 17.919 -8.546 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -20.249 18.137 -9.575 1.00 0.00 H new ATOM 555 N GLY A 34 -20.829 21.517 -5.575 1.00 0.00 N ATOM 556 CA GLY A 34 -21.667 22.577 -5.051 1.00 0.00 C ATOM 557 C GLY A 34 -23.006 22.066 -4.590 1.00 0.00 C ATOM 558 O GLY A 34 -23.729 22.751 -3.866 1.00 0.00 O ATOM 0 H GLY A 34 -20.766 20.688 -4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -21.158 23.062 -4.218 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -21.814 23.336 -5.820 1.00 0.00 H new ATOM 562 N ILE A 35 -23.332 20.851 -4.999 1.00 0.00 N ATOM 563 CA ILE A 35 -24.583 20.234 -4.614 1.00 0.00 C ATOM 564 C ILE A 35 -24.920 20.568 -3.185 1.00 0.00 C ATOM 565 O ILE A 35 -26.051 20.925 -2.856 1.00 0.00 O ATOM 566 CB ILE A 35 -24.491 18.713 -4.704 1.00 0.00 C ATOM 567 CG1 ILE A 35 -24.110 18.289 -6.117 1.00 0.00 C ATOM 568 CG2 ILE A 35 -25.795 18.084 -4.254 1.00 0.00 C ATOM 569 CD1 ILE A 35 -25.193 17.526 -6.853 1.00 0.00 C ATOM 0 H ILE A 35 -22.743 20.274 -5.599 1.00 0.00 H new ATOM 0 HA ILE A 35 -25.346 20.613 -5.293 1.00 0.00 H new ATOM 0 HB ILE A 35 -23.707 18.358 -4.035 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -23.852 19.178 -6.693 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -23.214 17.670 -6.069 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -25.718 16.999 -4.322 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -25.999 18.369 -3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -26.606 18.431 -4.894 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -24.839 17.263 -7.850 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -25.436 16.617 -6.302 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -26.084 18.149 -6.937 1.00 0.00 H new ATOM 581 N LEU A 36 -23.926 20.406 -2.333 1.00 0.00 N ATOM 582 CA LEU A 36 -24.107 20.645 -0.919 1.00 0.00 C ATOM 583 C LEU A 36 -23.610 22.017 -0.497 1.00 0.00 C ATOM 584 O LEU A 36 -22.963 22.728 -1.265 1.00 0.00 O ATOM 585 CB LEU A 36 -23.404 19.554 -0.130 1.00 0.00 C ATOM 586 CG LEU A 36 -23.920 18.143 -0.391 1.00 0.00 C ATOM 587 CD1 LEU A 36 -22.993 17.399 -1.340 1.00 0.00 C ATOM 588 CD2 LEU A 36 -24.076 17.380 0.914 1.00 0.00 C ATOM 0 H LEU A 36 -22.986 20.110 -2.598 1.00 0.00 H new ATOM 0 HA LEU A 36 -25.176 20.622 -0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -22.340 19.585 -0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -23.505 19.772 0.933 1.00 0.00 H new ATOM 0 HG LEU A 36 -24.900 18.219 -0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -23.379 16.395 -1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -22.937 17.934 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -21.998 17.334 -0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -24.445 16.376 0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -23.110 17.315 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -24.785 17.901 1.558 1.00 0.00 H new ATOM 600 N THR A 37 -23.939 22.379 0.736 1.00 0.00 N ATOM 601 CA THR A 37 -23.552 23.672 1.287 1.00 0.00 C ATOM 602 C THR A 37 -23.633 23.669 2.809 1.00 0.00 C ATOM 603 O THR A 37 -23.989 22.661 3.419 1.00 0.00 O ATOM 604 CB THR A 37 -24.452 24.770 0.718 1.00 0.00 C ATOM 605 OG1 THR A 37 -24.776 25.723 1.716 1.00 0.00 O ATOM 606 CG2 THR A 37 -25.750 24.239 0.148 1.00 0.00 C ATOM 0 H THR A 37 -24.475 21.793 1.376 1.00 0.00 H new ATOM 0 HA THR A 37 -22.518 23.867 1.004 1.00 0.00 H new ATOM 0 HB THR A 37 -23.878 25.227 -0.088 1.00 0.00 H new ATOM 0 HG1 THR A 37 -25.351 26.417 1.331 1.00 0.00 H new ATOM 0 HG21 THR A 37 -26.343 25.067 -0.239 1.00 0.00 H new ATOM 0 HG22 THR A 37 -25.534 23.539 -0.659 1.00 0.00 H new ATOM 0 HG23 THR A 37 -26.309 23.728 0.932 1.00 0.00 H new ATOM 614 N GLU A 38 -23.298 24.806 3.415 1.00 0.00 N ATOM 615 CA GLU A 38 -23.332 24.940 4.868 1.00 0.00 C ATOM 616 C GLU A 38 -24.480 24.132 5.459 1.00 0.00 C ATOM 617 O GLU A 38 -24.264 23.227 6.265 1.00 0.00 O ATOM 618 CB GLU A 38 -23.474 26.411 5.264 1.00 0.00 C ATOM 619 CG GLU A 38 -22.148 27.091 5.564 1.00 0.00 C ATOM 620 CD GLU A 38 -21.772 27.018 7.031 1.00 0.00 C ATOM 621 OE1 GLU A 38 -22.642 27.298 7.882 1.00 0.00 O ATOM 622 OE2 GLU A 38 -20.607 26.681 7.329 1.00 0.00 O ATOM 0 H GLU A 38 -23.000 25.647 2.922 1.00 0.00 H new ATOM 0 HA GLU A 38 -22.394 24.553 5.265 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -23.975 26.949 4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -24.116 26.482 6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -21.363 26.626 4.968 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -22.203 28.136 5.259 1.00 0.00 H new ATOM 629 N ASN A 39 -25.699 24.461 5.047 1.00 0.00 N ATOM 630 CA ASN A 39 -26.880 23.761 5.532 1.00 0.00 C ATOM 631 C ASN A 39 -26.654 22.254 5.508 1.00 0.00 C ATOM 632 O ASN A 39 -27.030 21.542 6.444 1.00 0.00 O ATOM 633 CB ASN A 39 -28.101 24.119 4.681 1.00 0.00 C ATOM 634 CG ASN A 39 -28.152 25.593 4.329 1.00 0.00 C ATOM 635 OD1 ASN A 39 -27.120 26.258 4.236 1.00 0.00 O ATOM 636 ND2 ASN A 39 -29.358 26.112 4.129 1.00 0.00 N ATOM 0 H ASN A 39 -25.894 25.207 4.379 1.00 0.00 H new ATOM 0 HA ASN A 39 -27.064 24.073 6.560 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -28.086 23.530 3.764 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -29.008 23.846 5.220 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -29.455 27.098 3.888 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -30.187 25.524 4.216 1.00 0.00 H new ATOM 643 N HIS A 40 -26.031 21.769 4.437 1.00 0.00 N ATOM 644 CA HIS A 40 -25.759 20.346 4.314 1.00 0.00 C ATOM 645 C HIS A 40 -24.733 19.912 5.349 1.00 0.00 C ATOM 646 O HIS A 40 -24.976 18.988 6.121 1.00 0.00 O ATOM 647 CB HIS A 40 -25.263 20.001 2.904 1.00 0.00 C ATOM 648 CG HIS A 40 -26.230 20.343 1.807 1.00 0.00 C ATOM 649 ND1 HIS A 40 -26.408 19.554 0.694 1.00 0.00 N ATOM 650 CD2 HIS A 40 -27.061 21.396 1.650 1.00 0.00 C ATOM 651 CE1 HIS A 40 -27.303 20.107 -0.108 1.00 0.00 C ATOM 652 NE2 HIS A 40 -27.715 21.229 0.451 1.00 0.00 N ATOM 0 H HIS A 40 -25.710 22.335 3.652 1.00 0.00 H new ATOM 0 HA HIS A 40 -26.690 19.808 4.491 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -24.326 20.527 2.723 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -25.044 18.934 2.860 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -27.189 22.218 2.339 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -27.638 19.710 -1.055 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -28.406 21.868 0.058 1.00 0.00 H new ATOM 661 N ILE A 41 -23.591 20.592 5.365 1.00 0.00 N ATOM 662 CA ILE A 41 -22.530 20.294 6.304 1.00 0.00 C ATOM 663 C ILE A 41 -23.095 19.802 7.631 1.00 0.00 C ATOM 664 O ILE A 41 -22.611 18.831 8.213 1.00 0.00 O ATOM 665 CB ILE A 41 -21.674 21.559 6.524 1.00 0.00 C ATOM 666 CG1 ILE A 41 -20.273 21.349 5.960 1.00 0.00 C ATOM 667 CG2 ILE A 41 -21.609 21.947 7.993 1.00 0.00 C ATOM 668 CD1 ILE A 41 -20.253 20.951 4.499 1.00 0.00 C ATOM 0 H ILE A 41 -23.381 21.361 4.728 1.00 0.00 H new ATOM 0 HA ILE A 41 -21.909 19.499 5.891 1.00 0.00 H new ATOM 0 HB ILE A 41 -22.151 22.382 5.992 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -19.701 22.268 6.084 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -19.769 20.578 6.543 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -20.997 22.842 8.106 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -22.615 22.146 8.362 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -21.168 21.131 8.566 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -19.222 20.820 4.172 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -20.796 20.015 4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -20.727 21.731 3.903 1.00 0.00 H new ATOM 680 N GLN A 42 -24.112 20.502 8.100 1.00 0.00 N ATOM 681 CA GLN A 42 -24.751 20.171 9.367 1.00 0.00 C ATOM 682 C GLN A 42 -25.477 18.836 9.287 1.00 0.00 C ATOM 683 O GLN A 42 -25.246 17.941 10.101 1.00 0.00 O ATOM 684 CB GLN A 42 -25.735 21.272 9.767 1.00 0.00 C ATOM 685 CG GLN A 42 -25.099 22.401 10.560 1.00 0.00 C ATOM 686 CD GLN A 42 -25.780 23.734 10.319 1.00 0.00 C ATOM 687 OE1 GLN A 42 -26.725 23.827 9.536 1.00 0.00 O ATOM 688 NE2 GLN A 42 -25.304 24.774 10.994 1.00 0.00 N ATOM 0 H GLN A 42 -24.517 21.307 7.622 1.00 0.00 H new ATOM 0 HA GLN A 42 -23.970 20.091 10.124 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -26.191 21.684 8.867 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -26.538 20.832 10.358 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -25.140 22.162 11.623 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -24.046 22.481 10.292 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -24.519 24.651 11.633 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -25.724 25.696 10.873 1.00 0.00 H new ATOM 697 N GLU A 43 -26.365 18.715 8.310 1.00 0.00 N ATOM 698 CA GLU A 43 -27.141 17.498 8.131 1.00 0.00 C ATOM 699 C GLU A 43 -26.246 16.290 7.822 1.00 0.00 C ATOM 700 O GLU A 43 -26.460 15.197 8.354 1.00 0.00 O ATOM 701 CB GLU A 43 -28.175 17.712 7.025 1.00 0.00 C ATOM 702 CG GLU A 43 -29.276 18.686 7.413 1.00 0.00 C ATOM 703 CD GLU A 43 -30.576 18.428 6.676 1.00 0.00 C ATOM 704 OE1 GLU A 43 -30.523 18.110 5.469 1.00 0.00 O ATOM 705 OE2 GLU A 43 -31.648 18.546 7.306 1.00 0.00 O ATOM 0 H GLU A 43 -26.565 19.447 7.628 1.00 0.00 H new ATOM 0 HA GLU A 43 -27.655 17.277 9.066 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -27.671 18.081 6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -28.623 16.753 6.765 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -29.453 18.618 8.486 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -28.943 19.704 7.208 1.00 0.00 H new ATOM 712 N ILE A 44 -25.240 16.485 6.972 1.00 0.00 N ATOM 713 CA ILE A 44 -24.333 15.415 6.615 1.00 0.00 C ATOM 714 C ILE A 44 -23.535 14.952 7.823 1.00 0.00 C ATOM 715 O ILE A 44 -23.508 13.763 8.140 1.00 0.00 O ATOM 716 CB ILE A 44 -23.385 15.877 5.507 1.00 0.00 C ATOM 717 CG1 ILE A 44 -24.187 16.252 4.255 1.00 0.00 C ATOM 718 CG2 ILE A 44 -22.377 14.796 5.201 1.00 0.00 C ATOM 719 CD1 ILE A 44 -24.724 15.054 3.507 1.00 0.00 C ATOM 0 H ILE A 44 -25.039 17.378 6.521 1.00 0.00 H new ATOM 0 HA ILE A 44 -24.924 14.574 6.253 1.00 0.00 H new ATOM 0 HB ILE A 44 -22.843 16.760 5.844 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -25.019 16.894 4.544 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -23.553 16.834 3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -21.707 15.136 4.411 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -21.798 14.575 6.097 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -22.897 13.896 4.874 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -25.281 15.391 2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -23.895 14.423 3.188 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -25.384 14.483 4.160 1.00 0.00 H new ATOM 731 N ASN A 45 -22.905 15.895 8.511 1.00 0.00 N ATOM 732 CA ASN A 45 -22.136 15.564 9.699 1.00 0.00 C ATOM 733 C ASN A 45 -23.015 14.788 10.673 1.00 0.00 C ATOM 734 O ASN A 45 -22.521 14.077 11.547 1.00 0.00 O ATOM 735 CB ASN A 45 -21.598 16.833 10.364 1.00 0.00 C ATOM 736 CG ASN A 45 -20.234 17.229 9.834 1.00 0.00 C ATOM 737 OD1 ASN A 45 -19.183 16.776 10.507 1.00 0.00 O flip ATOM 738 ND2 ASN A 45 -20.126 17.934 8.830 1.00 0.00 N flip ATOM 0 H ASN A 45 -22.912 16.886 8.269 1.00 0.00 H new ATOM 0 HA ASN A 45 -21.286 14.946 9.410 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -22.300 17.651 10.201 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -21.535 16.677 11.441 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -20.961 18.260 8.344 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -19.201 18.192 8.485 1.00 0.00 H new ATOM 745 N ALA A 46 -24.329 14.930 10.501 1.00 0.00 N ATOM 746 CA ALA A 46 -25.296 14.244 11.346 1.00 0.00 C ATOM 747 C ALA A 46 -25.329 12.751 11.037 1.00 0.00 C ATOM 748 O ALA A 46 -25.500 11.936 11.944 1.00 0.00 O ATOM 749 CB ALA A 46 -26.678 14.853 11.166 1.00 0.00 C ATOM 0 H ALA A 46 -24.746 15.518 9.779 1.00 0.00 H new ATOM 0 HA ALA A 46 -24.989 14.368 12.385 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -27.392 14.331 11.803 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -26.650 15.907 11.441 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -26.985 14.758 10.124 1.00 0.00 H new ATOM 755 N GLN A 47 -25.168 12.407 9.752 1.00 0.00 N ATOM 756 CA GLN A 47 -25.176 11.011 9.304 1.00 0.00 C ATOM 757 C GLN A 47 -24.894 10.041 10.448 1.00 0.00 C ATOM 758 O GLN A 47 -25.734 9.210 10.791 1.00 0.00 O ATOM 759 CB GLN A 47 -24.135 10.810 8.203 1.00 0.00 C ATOM 760 CG GLN A 47 -24.669 11.064 6.806 1.00 0.00 C ATOM 761 CD GLN A 47 -23.761 11.962 5.990 1.00 0.00 C ATOM 762 OE1 GLN A 47 -24.226 12.852 5.278 1.00 0.00 O ATOM 763 NE2 GLN A 47 -22.457 11.730 6.088 1.00 0.00 N ATOM 0 H GLN A 47 -25.030 13.083 9.001 1.00 0.00 H new ATOM 0 HA GLN A 47 -26.174 10.799 8.920 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -23.292 11.476 8.387 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -23.754 9.790 8.257 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -24.792 10.112 6.289 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -25.657 11.519 6.876 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -22.116 10.981 6.691 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -21.796 12.301 5.560 1.00 0.00 H new ATOM 772 N THR A 48 -23.707 10.153 11.035 1.00 0.00 N ATOM 773 CA THR A 48 -23.317 9.286 12.140 1.00 0.00 C ATOM 774 C THR A 48 -23.195 7.836 11.680 1.00 0.00 C ATOM 775 O THR A 48 -22.090 7.306 11.559 1.00 0.00 O ATOM 776 CB THR A 48 -24.332 9.389 13.279 1.00 0.00 C ATOM 777 OG1 THR A 48 -24.220 10.638 13.938 1.00 0.00 O ATOM 778 CG2 THR A 48 -24.175 8.304 14.323 1.00 0.00 C ATOM 0 H THR A 48 -22.999 10.835 10.764 1.00 0.00 H new ATOM 0 HA THR A 48 -22.342 9.616 12.500 1.00 0.00 H new ATOM 0 HB THR A 48 -25.308 9.276 12.806 1.00 0.00 H new ATOM 0 HG1 THR A 48 -24.591 11.343 13.368 1.00 0.00 H new ATOM 0 HG21 THR A 48 -24.926 8.437 15.102 1.00 0.00 H new ATOM 0 HG22 THR A 48 -24.305 7.328 13.856 1.00 0.00 H new ATOM 0 HG23 THR A 48 -23.180 8.365 14.764 1.00 0.00 H new ATOM 786 N THR A 49 -24.335 7.200 11.423 1.00 0.00 N ATOM 787 CA THR A 49 -24.348 5.811 10.975 1.00 0.00 C ATOM 788 C THR A 49 -23.653 5.670 9.625 1.00 0.00 C ATOM 789 O THR A 49 -22.489 5.274 9.553 1.00 0.00 O ATOM 790 CB THR A 49 -25.785 5.294 10.876 1.00 0.00 C ATOM 791 OG1 THR A 49 -26.550 6.100 9.998 1.00 0.00 O ATOM 792 CG2 THR A 49 -26.502 5.255 12.207 1.00 0.00 C ATOM 0 H THR A 49 -25.258 7.623 11.517 1.00 0.00 H new ATOM 0 HA THR A 49 -23.806 5.215 11.710 1.00 0.00 H new ATOM 0 HB THR A 49 -25.698 4.275 10.500 1.00 0.00 H new ATOM 0 HG1 THR A 49 -27.465 5.752 9.948 1.00 0.00 H new ATOM 0 HG21 THR A 49 -27.515 4.879 12.064 1.00 0.00 H new ATOM 0 HG22 THR A 49 -25.964 4.598 12.891 1.00 0.00 H new ATOM 0 HG23 THR A 49 -26.544 6.260 12.627 1.00 0.00 H new ATOM 800 N GLY A 50 -24.375 5.994 8.558 1.00 0.00 N ATOM 801 CA GLY A 50 -23.811 5.896 7.224 1.00 0.00 C ATOM 802 C GLY A 50 -24.867 5.987 6.140 1.00 0.00 C ATOM 803 O GLY A 50 -24.598 6.475 5.043 1.00 0.00 O ATOM 0 H GLY A 50 -25.340 6.323 8.593 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -23.080 6.692 7.083 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -23.276 4.951 7.127 1.00 0.00 H new ATOM 807 N LEU A 51 -26.070 5.515 6.448 1.00 0.00 N ATOM 808 CA LEU A 51 -27.170 5.543 5.490 1.00 0.00 C ATOM 809 C LEU A 51 -27.817 6.924 5.444 1.00 0.00 C ATOM 810 O LEU A 51 -28.254 7.382 4.386 1.00 0.00 O ATOM 811 CB LEU A 51 -28.213 4.483 5.850 1.00 0.00 C ATOM 812 CG LEU A 51 -27.652 3.077 6.076 1.00 0.00 C ATOM 813 CD1 LEU A 51 -27.769 2.682 7.540 1.00 0.00 C ATOM 814 CD2 LEU A 51 -28.369 2.069 5.189 1.00 0.00 C ATOM 0 H LEU A 51 -26.309 5.109 7.353 1.00 0.00 H new ATOM 0 HA LEU A 51 -26.767 5.322 4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -28.735 4.800 6.753 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -28.955 4.439 5.052 1.00 0.00 H new ATOM 0 HG LEU A 51 -26.596 3.081 5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -27.365 1.679 7.680 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -27.209 3.388 8.153 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -28.817 2.695 7.838 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -27.958 1.075 5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -29.433 2.068 5.426 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -28.230 2.342 4.143 1.00 0.00 H new ATOM 826 N ARG A 52 -27.874 7.587 6.594 1.00 0.00 N ATOM 827 CA ARG A 52 -28.466 8.916 6.675 1.00 0.00 C ATOM 828 C ARG A 52 -27.811 9.856 5.667 1.00 0.00 C ATOM 829 O ARG A 52 -28.393 10.869 5.278 1.00 0.00 O ATOM 830 CB ARG A 52 -28.326 9.482 8.090 1.00 0.00 C ATOM 831 CG ARG A 52 -29.658 9.788 8.757 1.00 0.00 C ATOM 832 CD ARG A 52 -29.471 10.259 10.191 1.00 0.00 C ATOM 833 NE ARG A 52 -30.097 11.556 10.425 1.00 0.00 N ATOM 834 CZ ARG A 52 -29.759 12.368 11.421 1.00 0.00 C ATOM 835 NH1 ARG A 52 -28.816 12.010 12.281 1.00 0.00 N ATOM 836 NH2 ARG A 52 -30.367 13.539 11.561 1.00 0.00 N ATOM 0 H ARG A 52 -27.519 7.227 7.480 1.00 0.00 H new ATOM 0 HA ARG A 52 -29.526 8.832 6.437 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -27.776 8.769 8.705 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -27.731 10.394 8.050 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -30.183 10.555 8.187 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -30.285 8.896 8.745 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -29.896 9.523 10.873 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -28.406 10.324 10.416 1.00 0.00 H new ATOM 0 HE ARG A 52 -30.835 11.856 9.788 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -28.348 11.109 12.179 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -28.558 12.635 13.045 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -31.095 13.817 10.903 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -30.106 14.161 12.326 1.00 0.00 H new ATOM 850 N LYS A 53 -26.599 9.506 5.239 1.00 0.00 N ATOM 851 CA LYS A 53 -25.870 10.312 4.266 1.00 0.00 C ATOM 852 C LYS A 53 -26.694 10.438 2.981 1.00 0.00 C ATOM 853 O LYS A 53 -26.957 11.543 2.490 1.00 0.00 O ATOM 854 CB LYS A 53 -24.492 9.681 3.989 1.00 0.00 C ATOM 855 CG LYS A 53 -24.252 9.280 2.539 1.00 0.00 C ATOM 856 CD LYS A 53 -22.927 8.554 2.376 1.00 0.00 C ATOM 857 CE LYS A 53 -22.641 8.240 0.916 1.00 0.00 C ATOM 858 NZ LYS A 53 -21.241 7.779 0.712 1.00 0.00 N ATOM 0 H LYS A 53 -26.103 8.671 5.551 1.00 0.00 H new ATOM 0 HA LYS A 53 -25.707 11.313 4.666 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -23.718 10.387 4.289 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -24.379 8.798 4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -25.064 8.638 2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -24.262 10.169 1.908 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -22.122 9.167 2.782 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -22.944 7.629 2.952 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -23.331 7.471 0.568 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -22.823 9.128 0.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -21.086 7.575 -0.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -20.582 8.522 1.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -21.075 6.917 1.269 1.00 0.00 H new ATOM 872 N THR A 54 -27.122 9.293 2.453 1.00 0.00 N ATOM 873 CA THR A 54 -27.935 9.271 1.262 1.00 0.00 C ATOM 874 C THR A 54 -29.200 10.066 1.521 1.00 0.00 C ATOM 875 O THR A 54 -29.649 10.848 0.681 1.00 0.00 O ATOM 876 CB THR A 54 -28.275 7.831 0.898 1.00 0.00 C ATOM 877 OG1 THR A 54 -27.098 7.058 0.743 1.00 0.00 O ATOM 878 CG2 THR A 54 -29.068 7.719 -0.373 1.00 0.00 C ATOM 0 H THR A 54 -26.913 8.373 2.840 1.00 0.00 H new ATOM 0 HA THR A 54 -27.392 9.717 0.429 1.00 0.00 H new ATOM 0 HB THR A 54 -28.881 7.457 1.723 1.00 0.00 H new ATOM 0 HG1 THR A 54 -27.300 6.257 0.216 1.00 0.00 H new ATOM 0 HG21 THR A 54 -29.279 6.670 -0.579 1.00 0.00 H new ATOM 0 HG22 THR A 54 -30.006 8.264 -0.266 1.00 0.00 H new ATOM 0 HG23 THR A 54 -28.495 8.142 -1.198 1.00 0.00 H new ATOM 886 N MET A 55 -29.750 9.880 2.717 1.00 0.00 N ATOM 887 CA MET A 55 -30.941 10.598 3.124 1.00 0.00 C ATOM 888 C MET A 55 -30.691 12.084 3.008 1.00 0.00 C ATOM 889 O MET A 55 -31.537 12.835 2.525 1.00 0.00 O ATOM 890 CB MET A 55 -31.320 10.228 4.558 1.00 0.00 C ATOM 891 CG MET A 55 -32.009 8.878 4.675 1.00 0.00 C ATOM 892 SD MET A 55 -33.603 8.982 5.508 1.00 0.00 S ATOM 893 CE MET A 55 -34.684 9.345 4.127 1.00 0.00 C ATOM 0 H MET A 55 -29.385 9.236 3.419 1.00 0.00 H new ATOM 0 HA MET A 55 -31.771 10.322 2.473 1.00 0.00 H new ATOM 0 HB2 MET A 55 -30.420 10.222 5.173 1.00 0.00 H new ATOM 0 HB3 MET A 55 -31.977 10.998 4.962 1.00 0.00 H new ATOM 0 HG2 MET A 55 -32.151 8.459 3.679 1.00 0.00 H new ATOM 0 HG3 MET A 55 -31.363 8.191 5.221 1.00 0.00 H new ATOM 0 HE1 MET A 55 -35.511 9.969 4.466 1.00 0.00 H new ATOM 0 HE2 MET A 55 -34.124 9.873 3.355 1.00 0.00 H new ATOM 0 HE3 MET A 55 -35.076 8.414 3.718 1.00 0.00 H new ATOM 903 N LEU A 56 -29.514 12.497 3.448 1.00 0.00 N ATOM 904 CA LEU A 56 -29.129 13.879 3.399 1.00 0.00 C ATOM 905 C LEU A 56 -29.449 14.507 2.065 1.00 0.00 C ATOM 906 O LEU A 56 -30.426 15.235 1.962 1.00 0.00 O ATOM 907 CB LEU A 56 -27.650 14.011 3.723 1.00 0.00 C ATOM 908 CG LEU A 56 -27.369 14.821 4.967 1.00 0.00 C ATOM 909 CD1 LEU A 56 -27.214 16.284 4.584 1.00 0.00 C ATOM 910 CD2 LEU A 56 -28.485 14.595 5.984 1.00 0.00 C ATOM 0 H LEU A 56 -28.808 11.878 3.846 1.00 0.00 H new ATOM 0 HA LEU A 56 -29.708 14.419 4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -27.224 13.015 3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -27.142 14.474 2.877 1.00 0.00 H new ATOM 0 HG LEU A 56 -26.437 14.503 5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -27.011 16.874 5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.386 16.391 3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -28.133 16.637 4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -28.283 15.179 6.882 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -29.437 14.907 5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -28.533 13.537 6.243 1.00 0.00 H new ATOM 922 N LEU A 57 -28.637 14.247 1.046 1.00 0.00 N ATOM 923 CA LEU A 57 -28.894 14.831 -0.257 1.00 0.00 C ATOM 924 C LEU A 57 -30.380 14.860 -0.560 1.00 0.00 C ATOM 925 O LEU A 57 -30.949 15.911 -0.854 1.00 0.00 O ATOM 926 CB LEU A 57 -28.157 14.081 -1.336 1.00 0.00 C ATOM 927 CG LEU A 57 -27.210 14.966 -2.110 1.00 0.00 C ATOM 928 CD1 LEU A 57 -28.002 15.867 -3.037 1.00 0.00 C ATOM 929 CD2 LEU A 57 -26.377 15.813 -1.161 1.00 0.00 C ATOM 0 H LEU A 57 -27.813 13.648 1.098 1.00 0.00 H new ATOM 0 HA LEU A 57 -28.529 15.858 -0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -27.597 13.261 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -28.878 13.637 -2.023 1.00 0.00 H new ATOM 0 HG LEU A 57 -26.540 14.337 -2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -27.318 16.506 -3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -28.578 15.257 -3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -28.680 16.487 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -25.700 16.445 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -27.035 16.440 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -25.798 15.162 -0.506 1.00 0.00 H new ATOM 941 N LEU A 58 -31.002 13.699 -0.475 1.00 0.00 N ATOM 942 CA LEU A 58 -32.427 13.577 -0.727 1.00 0.00 C ATOM 943 C LEU A 58 -33.219 14.488 0.203 1.00 0.00 C ATOM 944 O LEU A 58 -34.338 14.896 -0.107 1.00 0.00 O ATOM 945 CB LEU A 58 -32.870 12.131 -0.534 1.00 0.00 C ATOM 946 CG LEU A 58 -31.955 11.081 -1.158 1.00 0.00 C ATOM 947 CD1 LEU A 58 -32.228 9.717 -0.547 1.00 0.00 C ATOM 948 CD2 LEU A 58 -32.140 11.044 -2.667 1.00 0.00 C ATOM 0 H LEU A 58 -30.541 12.822 -0.232 1.00 0.00 H new ATOM 0 HA LEU A 58 -32.620 13.878 -1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -32.949 11.932 0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -33.869 12.015 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 58 -30.919 11.350 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -31.569 8.977 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -32.045 9.756 0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -33.266 9.438 -0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -31.480 10.290 -3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -33.175 10.796 -2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -31.897 12.020 -3.087 1.00 0.00 H new ATOM 960 N ASP A 59 -32.623 14.799 1.347 1.00 0.00 N ATOM 961 CA ASP A 59 -33.256 15.664 2.342 1.00 0.00 C ATOM 962 C ASP A 59 -32.914 17.129 2.096 1.00 0.00 C ATOM 963 O ASP A 59 -33.658 18.030 2.484 1.00 0.00 O ATOM 964 CB ASP A 59 -32.799 15.269 3.749 1.00 0.00 C ATOM 965 CG ASP A 59 -33.950 14.826 4.629 1.00 0.00 C ATOM 966 OD1 ASP A 59 -34.729 15.697 5.071 1.00 0.00 O ATOM 967 OD2 ASP A 59 -34.073 13.608 4.877 1.00 0.00 O ATOM 0 H ASP A 59 -31.697 14.464 1.612 1.00 0.00 H new ATOM 0 HA ASP A 59 -34.335 15.538 2.255 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -32.069 14.463 3.678 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -32.294 16.115 4.215 1.00 0.00 H new ATOM 972 N ILE A 60 -31.774 17.350 1.465 1.00 0.00 N ATOM 973 CA ILE A 60 -31.293 18.694 1.172 1.00 0.00 C ATOM 974 C ILE A 60 -31.784 19.185 -0.187 1.00 0.00 C ATOM 975 O ILE A 60 -32.371 20.261 -0.292 1.00 0.00 O ATOM 976 CB ILE A 60 -29.748 18.759 1.213 1.00 0.00 C ATOM 977 CG1 ILE A 60 -29.153 17.416 1.591 1.00 0.00 C ATOM 978 CG2 ILE A 60 -29.297 19.794 2.211 1.00 0.00 C ATOM 979 CD1 ILE A 60 -27.650 17.397 1.561 1.00 0.00 C ATOM 0 H ILE A 60 -31.155 16.607 1.141 1.00 0.00 H new ATOM 0 HA ILE A 60 -31.698 19.346 1.946 1.00 0.00 H new ATOM 0 HB ILE A 60 -29.402 19.030 0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -29.492 17.146 2.591 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -29.532 16.655 0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -28.208 19.830 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -29.687 20.770 1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -29.669 19.531 3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -27.293 16.406 1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -27.303 17.636 0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -27.263 18.135 2.264 1.00 0.00 H new ATOM 991 N LEU A 61 -31.536 18.394 -1.224 1.00 0.00 N ATOM 992 CA LEU A 61 -31.949 18.754 -2.577 1.00 0.00 C ATOM 993 C LEU A 61 -33.315 19.436 -2.583 1.00 0.00 C ATOM 994 O LEU A 61 -33.474 20.518 -3.148 1.00 0.00 O ATOM 995 CB LEU A 61 -31.985 17.512 -3.467 1.00 0.00 C ATOM 996 CG LEU A 61 -30.616 16.947 -3.841 1.00 0.00 C ATOM 997 CD1 LEU A 61 -30.696 16.173 -5.148 1.00 0.00 C ATOM 998 CD2 LEU A 61 -29.593 18.067 -3.937 1.00 0.00 C ATOM 0 H LEU A 61 -31.051 17.499 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 61 -31.217 19.460 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -32.556 16.735 -2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -32.524 17.755 -4.383 1.00 0.00 H new ATOM 0 HG LEU A 61 -30.298 16.257 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -29.711 15.778 -5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -31.401 15.349 -5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -31.033 16.837 -5.944 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -28.622 17.651 -4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -29.905 18.780 -4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -29.518 18.575 -2.975 1.00 0.00 H new ATOM 1010 N PRO A 62 -34.324 18.807 -1.958 1.00 0.00 N ATOM 1011 CA PRO A 62 -35.681 19.358 -1.902 1.00 0.00 C ATOM 1012 C PRO A 62 -35.791 20.550 -0.957 1.00 0.00 C ATOM 1013 O PRO A 62 -36.748 21.321 -1.026 1.00 0.00 O ATOM 1014 CB PRO A 62 -36.512 18.186 -1.382 1.00 0.00 C ATOM 1015 CG PRO A 62 -35.554 17.379 -0.576 1.00 0.00 C ATOM 1016 CD PRO A 62 -34.224 17.509 -1.265 1.00 0.00 C ATOM 0 HA PRO A 62 -36.007 19.738 -2.870 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -37.349 18.531 -0.775 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -36.932 17.602 -2.201 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -35.500 17.746 0.449 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -35.868 16.336 -0.526 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -33.399 17.496 -0.552 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -34.053 16.692 -1.965 1.00 0.00 H new ATOM 1024 N SER A 63 -34.809 20.694 -0.075 1.00 0.00 N ATOM 1025 CA SER A 63 -34.800 21.794 0.884 1.00 0.00 C ATOM 1026 C SER A 63 -33.582 22.690 0.678 1.00 0.00 C ATOM 1027 O SER A 63 -33.197 23.444 1.572 1.00 0.00 O ATOM 1028 CB SER A 63 -34.815 21.251 2.314 1.00 0.00 C ATOM 1029 OG SER A 63 -35.871 20.323 2.498 1.00 0.00 O ATOM 0 H SER A 63 -34.010 20.064 -0.003 1.00 0.00 H new ATOM 0 HA SER A 63 -35.697 22.392 0.720 1.00 0.00 H new ATOM 0 HB2 SER A 63 -33.862 20.770 2.533 1.00 0.00 H new ATOM 0 HB3 SER A 63 -34.925 22.076 3.018 1.00 0.00 H new ATOM 0 HG SER A 63 -35.505 19.415 2.540 1.00 0.00 H new ATOM 1035 N ARG A 64 -32.979 22.603 -0.503 1.00 0.00 N ATOM 1036 CA ARG A 64 -31.804 23.407 -0.822 1.00 0.00 C ATOM 1037 C ARG A 64 -31.976 24.131 -2.155 1.00 0.00 C ATOM 1038 O ARG A 64 -31.500 25.253 -2.327 1.00 0.00 O ATOM 1039 CB ARG A 64 -30.553 22.527 -0.866 1.00 0.00 C ATOM 1040 CG ARG A 64 -30.510 21.587 -2.060 1.00 0.00 C ATOM 1041 CD ARG A 64 -29.394 21.960 -3.022 1.00 0.00 C ATOM 1042 NE ARG A 64 -29.906 22.347 -4.334 1.00 0.00 N ATOM 1043 CZ ARG A 64 -29.142 22.471 -5.415 1.00 0.00 C ATOM 1044 NH1 ARG A 64 -27.837 22.248 -5.335 1.00 0.00 N ATOM 1045 NH2 ARG A 64 -29.682 22.820 -6.576 1.00 0.00 N ATOM 0 H ARG A 64 -33.284 21.985 -1.255 1.00 0.00 H new ATOM 0 HA ARG A 64 -31.689 24.155 -0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -29.670 23.166 -0.886 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -30.500 21.939 0.050 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -30.366 20.563 -1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -31.467 21.616 -2.582 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -28.814 22.782 -2.603 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -28.714 21.115 -3.133 1.00 0.00 H new ATOM 0 HE ARG A 64 -30.905 22.532 -4.426 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -27.419 21.981 -4.444 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -27.252 22.343 -6.165 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -30.685 22.994 -6.640 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -29.094 22.915 -7.404 1.00 0.00 H new ATOM 1059 N GLY A 65 -32.657 23.483 -3.095 1.00 0.00 N ATOM 1060 CA GLY A 65 -32.874 24.085 -4.398 1.00 0.00 C ATOM 1061 C GLY A 65 -32.918 23.058 -5.513 1.00 0.00 C ATOM 1062 O GLY A 65 -32.237 22.034 -5.448 1.00 0.00 O ATOM 0 H GLY A 65 -33.062 22.554 -2.978 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -33.810 24.643 -4.385 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -32.078 24.802 -4.600 1.00 0.00 H new ATOM 1066 N PRO A 66 -33.722 23.308 -6.556 1.00 0.00 N ATOM 1067 CA PRO A 66 -33.858 22.401 -7.693 1.00 0.00 C ATOM 1068 C PRO A 66 -32.789 22.633 -8.758 1.00 0.00 C ATOM 1069 O PRO A 66 -32.789 23.661 -9.436 1.00 0.00 O ATOM 1070 CB PRO A 66 -35.240 22.759 -8.232 1.00 0.00 C ATOM 1071 CG PRO A 66 -35.394 24.215 -7.940 1.00 0.00 C ATOM 1072 CD PRO A 66 -34.571 24.503 -6.705 1.00 0.00 C ATOM 0 HA PRO A 66 -33.741 21.355 -7.410 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -35.312 22.560 -9.301 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -36.019 22.173 -7.745 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -35.051 24.816 -8.782 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -36.441 24.467 -7.774 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -33.972 25.406 -6.826 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -35.203 24.655 -5.830 1.00 0.00 H new ATOM 1080 N LYS A 67 -31.881 21.670 -8.900 1.00 0.00 N ATOM 1081 CA LYS A 67 -30.804 21.767 -9.884 1.00 0.00 C ATOM 1082 C LYS A 67 -29.652 20.827 -9.532 1.00 0.00 C ATOM 1083 O LYS A 67 -28.856 20.454 -10.394 1.00 0.00 O ATOM 1084 CB LYS A 67 -30.291 23.206 -9.968 1.00 0.00 C ATOM 1085 CG LYS A 67 -30.642 23.903 -11.272 1.00 0.00 C ATOM 1086 CD LYS A 67 -29.649 23.560 -12.372 1.00 0.00 C ATOM 1087 CE LYS A 67 -30.317 23.543 -13.737 1.00 0.00 C ATOM 1088 NZ LYS A 67 -29.566 24.355 -14.735 1.00 0.00 N ATOM 0 H LYS A 67 -31.869 20.813 -8.346 1.00 0.00 H new ATOM 0 HA LYS A 67 -31.207 21.471 -10.853 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -30.703 23.779 -9.137 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -29.208 23.204 -9.847 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -31.646 23.612 -11.583 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -30.656 24.982 -11.117 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -28.838 24.288 -12.371 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -29.204 22.586 -12.171 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -30.394 22.515 -14.090 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -31.333 23.927 -13.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -30.055 24.317 -15.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -29.514 25.342 -14.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -28.604 23.974 -14.839 1.00 0.00 H new ATOM 1102 N ALA A 68 -29.569 20.456 -8.259 1.00 0.00 N ATOM 1103 CA ALA A 68 -28.522 19.571 -7.774 1.00 0.00 C ATOM 1104 C ALA A 68 -28.715 18.143 -8.258 1.00 0.00 C ATOM 1105 O ALA A 68 -27.844 17.301 -8.070 1.00 0.00 O ATOM 1106 CB ALA A 68 -28.495 19.584 -6.259 1.00 0.00 C ATOM 0 H ALA A 68 -30.224 20.760 -7.539 1.00 0.00 H new ATOM 0 HA ALA A 68 -27.576 19.939 -8.171 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -27.708 18.919 -5.903 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -28.300 20.597 -5.907 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -29.457 19.246 -5.875 1.00 0.00 H new ATOM 1112 N PHE A 69 -29.869 17.858 -8.843 1.00 0.00 N ATOM 1113 CA PHE A 69 -30.160 16.510 -9.306 1.00 0.00 C ATOM 1114 C PHE A 69 -29.113 16.000 -10.295 1.00 0.00 C ATOM 1115 O PHE A 69 -28.255 15.196 -9.929 1.00 0.00 O ATOM 1116 CB PHE A 69 -31.556 16.435 -9.920 1.00 0.00 C ATOM 1117 CG PHE A 69 -32.263 15.168 -9.553 1.00 0.00 C ATOM 1118 CD1 PHE A 69 -32.168 14.666 -8.266 1.00 0.00 C ATOM 1119 CD2 PHE A 69 -32.995 14.465 -10.491 1.00 0.00 C ATOM 1120 CE1 PHE A 69 -32.793 13.490 -7.919 1.00 0.00 C ATOM 1121 CE2 PHE A 69 -33.620 13.284 -10.152 1.00 0.00 C ATOM 1122 CZ PHE A 69 -33.519 12.794 -8.864 1.00 0.00 C ATOM 0 H PHE A 69 -30.613 18.536 -9.007 1.00 0.00 H new ATOM 0 HA PHE A 69 -30.125 15.860 -8.432 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -32.145 17.289 -9.586 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -31.479 16.506 -11.005 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -31.596 15.204 -7.525 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -33.078 14.844 -11.499 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -32.716 13.113 -6.910 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -34.189 12.742 -10.893 1.00 0.00 H new ATOM 0 HZ PHE A 69 -34.007 11.868 -8.597 1.00 0.00 H new ATOM 1132 N ASP A 70 -29.192 16.455 -11.543 1.00 0.00 N ATOM 1133 CA ASP A 70 -28.252 16.028 -12.579 1.00 0.00 C ATOM 1134 C ASP A 70 -26.876 15.725 -11.993 1.00 0.00 C ATOM 1135 O ASP A 70 -26.229 14.744 -12.364 1.00 0.00 O ATOM 1136 CB ASP A 70 -28.129 17.105 -13.658 1.00 0.00 C ATOM 1137 CG ASP A 70 -29.466 17.452 -14.284 1.00 0.00 C ATOM 1138 OD1 ASP A 70 -30.018 16.602 -15.014 1.00 0.00 O ATOM 1139 OD2 ASP A 70 -29.961 18.574 -14.044 1.00 0.00 O ATOM 0 H ASP A 70 -29.897 17.119 -11.863 1.00 0.00 H new ATOM 0 HA ASP A 70 -28.642 15.112 -13.023 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -27.691 18.003 -13.223 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -27.446 16.761 -14.434 1.00 0.00 H new ATOM 1144 N THR A 71 -26.437 16.572 -11.073 1.00 0.00 N ATOM 1145 CA THR A 71 -25.141 16.403 -10.428 1.00 0.00 C ATOM 1146 C THR A 71 -25.214 15.338 -9.336 1.00 0.00 C ATOM 1147 O THR A 71 -24.445 14.378 -9.348 1.00 0.00 O ATOM 1148 CB THR A 71 -24.678 17.751 -9.862 1.00 0.00 C ATOM 1149 OG1 THR A 71 -24.690 18.742 -10.874 1.00 0.00 O ATOM 1150 CG2 THR A 71 -23.285 17.727 -9.269 1.00 0.00 C ATOM 0 H THR A 71 -26.961 17.387 -10.755 1.00 0.00 H new ATOM 0 HA THR A 71 -24.413 16.062 -11.164 1.00 0.00 H new ATOM 0 HB THR A 71 -25.383 17.977 -9.062 1.00 0.00 H new ATOM 0 HG1 THR A 71 -24.394 19.597 -10.498 1.00 0.00 H new ATOM 0 HG21 THR A 71 -23.033 18.718 -8.891 1.00 0.00 H new ATOM 0 HG22 THR A 71 -23.250 17.007 -8.451 1.00 0.00 H new ATOM 0 HG23 THR A 71 -22.567 17.439 -10.037 1.00 0.00 H new ATOM 1158 N PHE A 72 -26.143 15.498 -8.400 1.00 0.00 N ATOM 1159 CA PHE A 72 -26.297 14.533 -7.318 1.00 0.00 C ATOM 1160 C PHE A 72 -26.320 13.113 -7.879 1.00 0.00 C ATOM 1161 O PHE A 72 -25.965 12.158 -7.188 1.00 0.00 O ATOM 1162 CB PHE A 72 -27.561 14.826 -6.489 1.00 0.00 C ATOM 1163 CG PHE A 72 -28.312 13.594 -6.054 1.00 0.00 C ATOM 1164 CD1 PHE A 72 -27.755 12.712 -5.139 1.00 0.00 C ATOM 1165 CD2 PHE A 72 -29.572 13.318 -6.560 1.00 0.00 C ATOM 1166 CE1 PHE A 72 -28.441 11.582 -4.738 1.00 0.00 C ATOM 1167 CE2 PHE A 72 -30.262 12.188 -6.163 1.00 0.00 C ATOM 1168 CZ PHE A 72 -29.696 11.320 -5.251 1.00 0.00 C ATOM 0 H PHE A 72 -26.796 16.281 -8.368 1.00 0.00 H new ATOM 0 HA PHE A 72 -25.441 14.624 -6.649 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -27.278 15.397 -5.605 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -28.229 15.457 -7.076 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -26.773 12.911 -4.735 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -30.020 13.994 -7.273 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -27.996 10.904 -4.024 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -31.243 11.984 -6.566 1.00 0.00 H new ATOM 0 HZ PHE A 72 -30.234 10.437 -4.939 1.00 0.00 H new ATOM 1178 N LEU A 73 -26.723 12.980 -9.142 1.00 0.00 N ATOM 1179 CA LEU A 73 -26.765 11.672 -9.783 1.00 0.00 C ATOM 1180 C LEU A 73 -25.389 11.301 -10.294 1.00 0.00 C ATOM 1181 O LEU A 73 -24.991 10.140 -10.266 1.00 0.00 O ATOM 1182 CB LEU A 73 -27.764 11.652 -10.937 1.00 0.00 C ATOM 1183 CG LEU A 73 -29.186 12.045 -10.573 1.00 0.00 C ATOM 1184 CD1 LEU A 73 -29.652 13.173 -11.470 1.00 0.00 C ATOM 1185 CD2 LEU A 73 -30.111 10.846 -10.697 1.00 0.00 C ATOM 0 H LEU A 73 -27.022 13.755 -9.734 1.00 0.00 H new ATOM 0 HA LEU A 73 -27.088 10.944 -9.039 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -27.407 12.325 -11.716 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -27.780 10.649 -11.364 1.00 0.00 H new ATOM 0 HG LEU A 73 -29.208 12.388 -9.539 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -30.672 13.451 -11.205 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -28.996 14.034 -11.342 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -29.623 12.847 -12.510 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -31.127 11.141 -10.433 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -30.095 10.478 -11.723 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -29.776 10.057 -10.024 1.00 0.00 H new ATOM 1197 N ASP A 74 -24.655 12.303 -10.743 1.00 0.00 N ATOM 1198 CA ASP A 74 -23.307 12.081 -11.238 1.00 0.00 C ATOM 1199 C ASP A 74 -22.448 11.471 -10.135 1.00 0.00 C ATOM 1200 O ASP A 74 -21.377 10.924 -10.397 1.00 0.00 O ATOM 1201 CB ASP A 74 -22.697 13.389 -11.739 1.00 0.00 C ATOM 1202 CG ASP A 74 -22.301 13.320 -13.201 1.00 0.00 C ATOM 1203 OD1 ASP A 74 -21.834 12.248 -13.641 1.00 0.00 O ATOM 1204 OD2 ASP A 74 -22.457 14.339 -13.906 1.00 0.00 O ATOM 0 H ASP A 74 -24.967 13.274 -10.776 1.00 0.00 H new ATOM 0 HA ASP A 74 -23.347 11.386 -12.077 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -23.413 14.198 -11.597 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -21.820 13.631 -11.139 1.00 0.00 H new ATOM 1209 N SER A 75 -22.943 11.561 -8.899 1.00 0.00 N ATOM 1210 CA SER A 75 -22.242 11.002 -7.745 1.00 0.00 C ATOM 1211 C SER A 75 -22.692 9.577 -7.484 1.00 0.00 C ATOM 1212 O SER A 75 -21.904 8.735 -7.061 1.00 0.00 O ATOM 1213 CB SER A 75 -22.512 11.830 -6.493 1.00 0.00 C ATOM 1214 OG SER A 75 -23.628 11.324 -5.780 1.00 0.00 O ATOM 0 H SER A 75 -23.827 12.016 -8.673 1.00 0.00 H new ATOM 0 HA SER A 75 -21.176 11.018 -7.972 1.00 0.00 H new ATOM 0 HB2 SER A 75 -21.631 11.822 -5.851 1.00 0.00 H new ATOM 0 HB3 SER A 75 -22.694 12.868 -6.771 1.00 0.00 H new ATOM 0 HG SER A 75 -24.455 11.592 -6.233 1.00 0.00 H new ATOM 1220 N LEU A 76 -23.979 9.341 -7.727 1.00 0.00 N ATOM 1221 CA LEU A 76 -24.607 8.045 -7.517 1.00 0.00 C ATOM 1222 C LEU A 76 -23.619 6.894 -7.441 1.00 0.00 C ATOM 1223 O LEU A 76 -23.463 6.143 -8.383 1.00 0.00 O ATOM 1224 CB LEU A 76 -25.624 7.803 -8.618 1.00 0.00 C ATOM 1225 CG LEU A 76 -26.984 8.381 -8.294 1.00 0.00 C ATOM 1226 CD1 LEU A 76 -27.933 8.258 -9.468 1.00 0.00 C ATOM 1227 CD2 LEU A 76 -27.521 7.681 -7.074 1.00 0.00 C ATOM 0 H LEU A 76 -24.619 10.053 -8.079 1.00 0.00 H new ATOM 0 HA LEU A 76 -25.097 8.077 -6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -25.259 8.242 -9.547 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -25.721 6.731 -8.788 1.00 0.00 H new ATOM 0 HG LEU A 76 -26.887 9.447 -8.088 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -28.900 8.683 -9.200 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -27.525 8.796 -10.324 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -28.058 7.206 -9.726 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -28.502 8.085 -6.825 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -27.609 6.614 -7.276 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -26.841 7.837 -6.236 1.00 0.00 H new ATOM 1239 N GLN A 77 -22.967 6.756 -6.300 1.00 0.00 N ATOM 1240 CA GLN A 77 -21.995 5.686 -6.090 1.00 0.00 C ATOM 1241 C GLN A 77 -22.353 4.401 -6.856 1.00 0.00 C ATOM 1242 O GLN A 77 -21.465 3.628 -7.215 1.00 0.00 O ATOM 1243 CB GLN A 77 -21.880 5.373 -4.598 1.00 0.00 C ATOM 1244 CG GLN A 77 -20.450 5.364 -4.086 1.00 0.00 C ATOM 1245 CD GLN A 77 -19.504 4.625 -5.013 1.00 0.00 C ATOM 1246 OE1 GLN A 77 -19.727 3.326 -5.175 1.00 0.00 O flip ATOM 1247 NE2 GLN A 77 -18.583 5.215 -5.577 1.00 0.00 N flip ATOM 0 H GLN A 77 -23.091 7.373 -5.497 1.00 0.00 H new ATOM 0 HA GLN A 77 -21.041 6.043 -6.478 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -22.454 6.110 -4.036 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -22.333 4.401 -4.404 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -20.105 6.391 -3.964 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -20.424 4.900 -3.100 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -18.448 6.214 -5.424 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -17.955 4.705 -6.198 1.00 0.00 H new ATOM 1256 N GLU A 78 -23.647 4.156 -7.078 1.00 0.00 N ATOM 1257 CA GLU A 78 -24.087 2.938 -7.771 1.00 0.00 C ATOM 1258 C GLU A 78 -24.875 3.229 -9.047 1.00 0.00 C ATOM 1259 O GLU A 78 -25.522 2.338 -9.596 1.00 0.00 O ATOM 1260 CB GLU A 78 -24.959 2.112 -6.838 1.00 0.00 C ATOM 1261 CG GLU A 78 -25.424 2.873 -5.609 1.00 0.00 C ATOM 1262 CD GLU A 78 -26.378 2.064 -4.752 1.00 0.00 C ATOM 1263 OE1 GLU A 78 -26.326 0.818 -4.822 1.00 0.00 O ATOM 1264 OE2 GLU A 78 -27.178 2.676 -4.014 1.00 0.00 O ATOM 0 H GLU A 78 -24.404 4.777 -6.792 1.00 0.00 H new ATOM 0 HA GLU A 78 -23.186 2.394 -8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -25.831 1.758 -7.388 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -24.403 1.230 -6.520 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -24.557 3.158 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -25.914 3.796 -5.921 1.00 0.00 H new ATOM 1271 N PHE A 79 -24.832 4.476 -9.487 1.00 0.00 N ATOM 1272 CA PHE A 79 -25.557 4.932 -10.688 1.00 0.00 C ATOM 1273 C PHE A 79 -26.146 3.797 -11.539 1.00 0.00 C ATOM 1274 O PHE A 79 -27.359 3.743 -11.741 1.00 0.00 O ATOM 1275 CB PHE A 79 -24.672 5.805 -11.567 1.00 0.00 C ATOM 1276 CG PHE A 79 -23.437 6.283 -10.878 1.00 0.00 C ATOM 1277 CD1 PHE A 79 -22.442 5.395 -10.502 1.00 0.00 C ATOM 1278 CD2 PHE A 79 -23.287 7.621 -10.570 1.00 0.00 C ATOM 1279 CE1 PHE A 79 -21.321 5.838 -9.835 1.00 0.00 C ATOM 1280 CE2 PHE A 79 -22.171 8.070 -9.901 1.00 0.00 C ATOM 1281 CZ PHE A 79 -21.183 7.178 -9.531 1.00 0.00 C ATOM 0 H PHE A 79 -24.295 5.212 -9.028 1.00 0.00 H new ATOM 0 HA PHE A 79 -26.396 5.510 -10.302 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -24.388 5.242 -12.456 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -25.247 6.667 -11.906 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -22.546 4.345 -10.734 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -24.055 8.324 -10.858 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -20.550 5.137 -9.550 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -22.068 9.119 -9.665 1.00 0.00 H new ATOM 0 HZ PHE A 79 -20.306 7.527 -9.006 1.00 0.00 H new ATOM 1291 N PRO A 80 -25.306 2.886 -12.072 1.00 0.00 N ATOM 1292 CA PRO A 80 -25.769 1.784 -12.917 1.00 0.00 C ATOM 1293 C PRO A 80 -27.133 1.233 -12.512 1.00 0.00 C ATOM 1294 O PRO A 80 -27.862 0.694 -13.346 1.00 0.00 O ATOM 1295 CB PRO A 80 -24.675 0.745 -12.720 1.00 0.00 C ATOM 1296 CG PRO A 80 -23.432 1.555 -12.578 1.00 0.00 C ATOM 1297 CD PRO A 80 -23.838 2.854 -11.918 1.00 0.00 C ATOM 0 HA PRO A 80 -25.919 2.094 -13.951 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -24.858 0.135 -11.835 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -24.613 0.064 -13.569 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -22.693 1.028 -11.975 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -22.976 1.740 -13.551 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -23.546 2.877 -10.868 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -23.367 3.711 -12.399 1.00 0.00 H new ATOM 1305 N TRP A 81 -27.477 1.362 -11.237 1.00 0.00 N ATOM 1306 CA TRP A 81 -28.760 0.866 -10.748 1.00 0.00 C ATOM 1307 C TRP A 81 -29.528 1.953 -10.003 1.00 0.00 C ATOM 1308 O TRP A 81 -30.758 1.919 -9.939 1.00 0.00 O ATOM 1309 CB TRP A 81 -28.555 -0.348 -9.838 1.00 0.00 C ATOM 1310 CG TRP A 81 -27.143 -0.849 -9.821 1.00 0.00 C ATOM 1311 CD1 TRP A 81 -26.166 -0.512 -8.930 1.00 0.00 C ATOM 1312 CD2 TRP A 81 -26.547 -1.772 -10.741 1.00 0.00 C ATOM 1313 NE1 TRP A 81 -24.999 -1.168 -9.238 1.00 0.00 N ATOM 1314 CE2 TRP A 81 -25.207 -1.947 -10.346 1.00 0.00 C ATOM 1315 CE3 TRP A 81 -27.017 -2.468 -11.859 1.00 0.00 C ATOM 1316 CZ2 TRP A 81 -24.333 -2.788 -11.031 1.00 0.00 C ATOM 1317 CZ3 TRP A 81 -26.148 -3.302 -12.537 1.00 0.00 C ATOM 1318 CH2 TRP A 81 -24.819 -3.456 -12.121 1.00 0.00 C ATOM 0 H TRP A 81 -26.892 1.802 -10.527 1.00 0.00 H new ATOM 0 HA TRP A 81 -29.350 0.566 -11.614 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -28.851 -0.085 -8.822 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -29.214 -1.153 -10.164 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -26.292 0.171 -8.103 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -24.121 -1.088 -8.725 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -28.040 -2.356 -12.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -23.308 -2.908 -10.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -26.499 -3.844 -13.402 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -24.165 -4.116 -12.672 1.00 0.00 H new ATOM 1329 N VAL A 82 -28.807 2.920 -9.445 1.00 0.00 N ATOM 1330 CA VAL A 82 -29.445 4.006 -8.715 1.00 0.00 C ATOM 1331 C VAL A 82 -29.808 5.145 -9.658 1.00 0.00 C ATOM 1332 O VAL A 82 -30.884 5.729 -9.552 1.00 0.00 O ATOM 1333 CB VAL A 82 -28.533 4.548 -7.602 1.00 0.00 C ATOM 1334 CG1 VAL A 82 -28.223 3.461 -6.584 1.00 0.00 C ATOM 1335 CG2 VAL A 82 -27.257 5.091 -8.205 1.00 0.00 C ATOM 0 H VAL A 82 -27.789 2.973 -9.484 1.00 0.00 H new ATOM 0 HA VAL A 82 -30.350 3.601 -8.262 1.00 0.00 H new ATOM 0 HB VAL A 82 -29.051 5.355 -7.085 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -27.576 3.866 -5.805 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -29.151 3.106 -6.137 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -27.719 2.631 -7.080 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -26.614 5.474 -7.412 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -26.739 4.294 -8.739 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -27.497 5.897 -8.899 1.00 0.00 H new ATOM 1345 N ARG A 83 -28.903 5.447 -10.588 1.00 0.00 N ATOM 1346 CA ARG A 83 -29.127 6.512 -11.559 1.00 0.00 C ATOM 1347 C ARG A 83 -30.289 6.154 -12.474 1.00 0.00 C ATOM 1348 O ARG A 83 -31.165 6.979 -12.731 1.00 0.00 O ATOM 1349 CB ARG A 83 -27.840 6.787 -12.359 1.00 0.00 C ATOM 1350 CG ARG A 83 -27.964 6.574 -13.863 1.00 0.00 C ATOM 1351 CD ARG A 83 -26.840 7.265 -14.621 1.00 0.00 C ATOM 1352 NE ARG A 83 -27.216 7.569 -15.999 1.00 0.00 N ATOM 1353 CZ ARG A 83 -26.684 8.559 -16.709 1.00 0.00 C ATOM 1354 NH1 ARG A 83 -25.755 9.338 -16.173 1.00 0.00 N ATOM 1355 NH2 ARG A 83 -27.082 8.771 -17.955 1.00 0.00 N ATOM 0 H ARG A 83 -28.008 4.968 -10.688 1.00 0.00 H new ATOM 0 HA ARG A 83 -29.390 7.428 -11.029 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -27.528 7.815 -12.176 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -27.048 6.142 -11.979 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -27.949 5.506 -14.082 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -28.925 6.957 -14.207 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -26.570 8.187 -14.107 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -25.956 6.628 -14.619 1.00 0.00 H new ATOM 0 HE ARG A 83 -27.928 6.988 -16.442 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -25.447 9.178 -15.214 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -25.348 10.097 -16.720 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -27.797 8.174 -18.370 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -26.673 9.531 -18.499 1.00 0.00 H new ATOM 1369 N GLU A 84 -30.308 4.913 -12.944 1.00 0.00 N ATOM 1370 CA GLU A 84 -31.380 4.457 -13.800 1.00 0.00 C ATOM 1371 C GLU A 84 -32.677 4.461 -13.018 1.00 0.00 C ATOM 1372 O GLU A 84 -33.720 4.858 -13.531 1.00 0.00 O ATOM 1373 CB GLU A 84 -31.074 3.058 -14.323 1.00 0.00 C ATOM 1374 CG GLU A 84 -29.617 2.859 -14.699 1.00 0.00 C ATOM 1375 CD GLU A 84 -29.449 2.211 -16.059 1.00 0.00 C ATOM 1376 OE1 GLU A 84 -29.817 2.848 -17.069 1.00 0.00 O ATOM 1377 OE2 GLU A 84 -28.951 1.067 -16.115 1.00 0.00 O ATOM 0 H GLU A 84 -29.594 4.212 -12.745 1.00 0.00 H new ATOM 0 HA GLU A 84 -31.476 5.127 -14.655 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -31.348 2.326 -13.563 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -31.697 2.860 -15.195 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -29.110 3.824 -14.695 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -29.132 2.241 -13.944 1.00 0.00 H new ATOM 1384 N LYS A 85 -32.593 4.034 -11.763 1.00 0.00 N ATOM 1385 CA LYS A 85 -33.751 4.003 -10.887 1.00 0.00 C ATOM 1386 C LYS A 85 -34.128 5.417 -10.452 1.00 0.00 C ATOM 1387 O LYS A 85 -35.273 5.678 -10.082 1.00 0.00 O ATOM 1388 CB LYS A 85 -33.458 3.143 -9.657 1.00 0.00 C ATOM 1389 CG LYS A 85 -33.827 1.680 -9.831 1.00 0.00 C ATOM 1390 CD LYS A 85 -33.192 1.082 -11.077 1.00 0.00 C ATOM 1391 CE LYS A 85 -32.252 -0.061 -10.729 1.00 0.00 C ATOM 1392 NZ LYS A 85 -32.811 -1.383 -11.126 1.00 0.00 N ATOM 0 H LYS A 85 -31.730 3.704 -11.331 1.00 0.00 H new ATOM 0 HA LYS A 85 -34.587 3.569 -11.435 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -32.397 3.215 -9.419 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -34.004 3.547 -8.804 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -33.507 1.118 -8.954 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -34.911 1.583 -9.893 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -33.972 0.722 -11.747 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -32.643 1.856 -11.614 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -31.295 0.092 -11.227 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -32.057 -0.057 -9.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -32.139 -2.135 -10.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -33.712 -1.542 -10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -32.973 -1.397 -12.153 1.00 0.00 H new ATOM 1406 N LEU A 86 -33.159 6.332 -10.501 1.00 0.00 N ATOM 1407 CA LEU A 86 -33.405 7.715 -10.111 1.00 0.00 C ATOM 1408 C LEU A 86 -34.088 8.479 -11.223 1.00 0.00 C ATOM 1409 O LEU A 86 -35.244 8.880 -11.098 1.00 0.00 O ATOM 1410 CB LEU A 86 -32.110 8.420 -9.726 1.00 0.00 C ATOM 1411 CG LEU A 86 -32.115 8.945 -8.302 1.00 0.00 C ATOM 1412 CD1 LEU A 86 -30.911 9.835 -8.035 1.00 0.00 C ATOM 1413 CD2 LEU A 86 -33.415 9.690 -8.049 1.00 0.00 C ATOM 0 H LEU A 86 -32.204 6.140 -10.805 1.00 0.00 H new ATOM 0 HA LEU A 86 -34.062 7.693 -9.242 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -31.277 7.728 -9.848 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -31.938 9.250 -10.412 1.00 0.00 H new ATOM 0 HG LEU A 86 -32.045 8.103 -7.614 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -30.945 10.194 -7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -29.995 9.264 -8.190 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -30.929 10.685 -8.717 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -33.424 10.069 -7.027 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -33.498 10.524 -8.746 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -34.257 9.012 -8.192 1.00 0.00 H new ATOM 1425 N LYS A 87 -33.376 8.656 -12.323 1.00 0.00 N ATOM 1426 CA LYS A 87 -33.937 9.345 -13.464 1.00 0.00 C ATOM 1427 C LYS A 87 -35.211 8.635 -13.861 1.00 0.00 C ATOM 1428 O LYS A 87 -36.093 9.215 -14.495 1.00 0.00 O ATOM 1429 CB LYS A 87 -32.936 9.389 -14.619 1.00 0.00 C ATOM 1430 CG LYS A 87 -32.291 10.751 -14.809 1.00 0.00 C ATOM 1431 CD LYS A 87 -30.816 10.624 -15.150 1.00 0.00 C ATOM 1432 CE LYS A 87 -30.332 11.799 -15.983 1.00 0.00 C ATOM 1433 NZ LYS A 87 -28.879 12.057 -15.785 1.00 0.00 N ATOM 0 H LYS A 87 -32.416 8.334 -12.447 1.00 0.00 H new ATOM 0 HA LYS A 87 -34.162 10.380 -13.206 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -32.156 8.648 -14.442 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -33.444 9.104 -15.541 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -32.805 11.291 -15.605 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -32.406 11.340 -13.899 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -30.233 10.564 -14.231 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -30.647 9.696 -15.696 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -30.525 11.601 -17.037 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -30.899 12.691 -15.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -28.587 12.866 -16.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -28.698 12.271 -14.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -28.336 11.215 -16.063 1.00 0.00 H new ATOM 1447 N LYS A 88 -35.326 7.380 -13.428 1.00 0.00 N ATOM 1448 CA LYS A 88 -36.501 6.610 -13.675 1.00 0.00 C ATOM 1449 C LYS A 88 -37.628 7.221 -12.860 1.00 0.00 C ATOM 1450 O LYS A 88 -38.774 7.299 -13.301 1.00 0.00 O ATOM 1451 CB LYS A 88 -36.246 5.163 -13.266 1.00 0.00 C ATOM 1452 CG LYS A 88 -37.461 4.460 -12.718 1.00 0.00 C ATOM 1453 CD LYS A 88 -37.422 4.367 -11.201 1.00 0.00 C ATOM 1454 CE LYS A 88 -38.390 3.315 -10.684 1.00 0.00 C ATOM 1455 NZ LYS A 88 -37.740 2.385 -9.720 1.00 0.00 N ATOM 0 H LYS A 88 -34.603 6.890 -12.902 1.00 0.00 H new ATOM 0 HA LYS A 88 -36.770 6.617 -14.731 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -35.878 4.611 -14.131 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -35.456 5.142 -12.515 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -38.360 4.994 -13.027 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -37.524 3.458 -13.142 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -36.410 4.124 -10.876 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -37.671 5.336 -10.769 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -39.235 3.806 -10.201 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -38.789 2.746 -11.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -38.459 1.760 -9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -37.028 1.812 -10.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -37.278 2.933 -8.966 1.00 0.00 H new ATOM 1469 N ALA A 89 -37.263 7.683 -11.664 1.00 0.00 N ATOM 1470 CA ALA A 89 -38.205 8.324 -10.769 1.00 0.00 C ATOM 1471 C ALA A 89 -38.442 9.762 -11.204 1.00 0.00 C ATOM 1472 O ALA A 89 -39.376 10.412 -10.746 1.00 0.00 O ATOM 1473 CB ALA A 89 -37.695 8.280 -9.337 1.00 0.00 C ATOM 0 H ALA A 89 -36.313 7.621 -11.298 1.00 0.00 H new ATOM 0 HA ALA A 89 -39.151 7.784 -10.812 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -38.415 8.766 -8.679 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -37.565 7.243 -9.029 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -36.739 8.800 -9.275 1.00 0.00 H new ATOM 1479 N ARG A 90 -37.610 10.247 -12.121 1.00 0.00 N ATOM 1480 CA ARG A 90 -37.761 11.590 -12.637 1.00 0.00 C ATOM 1481 C ARG A 90 -38.839 11.534 -13.690 1.00 0.00 C ATOM 1482 O ARG A 90 -39.654 12.444 -13.845 1.00 0.00 O ATOM 1483 CB ARG A 90 -36.431 12.082 -13.226 1.00 0.00 C ATOM 1484 CG ARG A 90 -36.582 12.905 -14.494 1.00 0.00 C ATOM 1485 CD ARG A 90 -35.462 13.922 -14.640 1.00 0.00 C ATOM 1486 NE ARG A 90 -35.193 14.241 -16.040 1.00 0.00 N ATOM 1487 CZ ARG A 90 -34.017 14.673 -16.485 1.00 0.00 C ATOM 1488 NH1 ARG A 90 -33.007 14.840 -15.643 1.00 0.00 N ATOM 1489 NH2 ARG A 90 -33.852 14.941 -17.774 1.00 0.00 N ATOM 0 H ARG A 90 -36.828 9.726 -12.517 1.00 0.00 H new ATOM 0 HA ARG A 90 -38.039 12.291 -11.849 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -35.913 12.680 -12.477 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -35.799 11.220 -13.438 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -36.587 12.242 -15.360 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -37.542 13.420 -14.481 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -35.728 14.834 -14.105 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -34.556 13.533 -14.176 1.00 0.00 H new ATOM 0 HE ARG A 90 -35.950 14.126 -16.714 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -33.131 14.637 -14.651 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -32.106 15.172 -15.987 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -34.628 14.816 -18.424 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -32.949 15.272 -18.115 1.00 0.00 H new ATOM 1503 N GLU A 91 -38.832 10.414 -14.384 1.00 0.00 N ATOM 1504 CA GLU A 91 -39.798 10.133 -15.418 1.00 0.00 C ATOM 1505 C GLU A 91 -41.127 9.736 -14.782 1.00 0.00 C ATOM 1506 O GLU A 91 -42.200 10.028 -15.310 1.00 0.00 O ATOM 1507 CB GLU A 91 -39.267 8.998 -16.286 1.00 0.00 C ATOM 1508 CG GLU A 91 -38.348 9.466 -17.401 1.00 0.00 C ATOM 1509 CD GLU A 91 -38.748 8.919 -18.757 1.00 0.00 C ATOM 1510 OE1 GLU A 91 -39.957 8.930 -19.069 1.00 0.00 O ATOM 1511 OE2 GLU A 91 -37.851 8.481 -19.508 1.00 0.00 O ATOM 0 H GLU A 91 -38.149 9.670 -14.243 1.00 0.00 H new ATOM 0 HA GLU A 91 -39.959 11.018 -16.034 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -38.729 8.290 -15.655 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -40.109 8.460 -16.722 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -38.353 10.555 -17.437 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -37.326 9.159 -17.177 1.00 0.00 H new ATOM 1518 N GLU A 92 -41.033 9.063 -13.635 1.00 0.00 N ATOM 1519 CA GLU A 92 -42.209 8.609 -12.900 1.00 0.00 C ATOM 1520 C GLU A 92 -42.670 9.647 -11.876 1.00 0.00 C ATOM 1521 O GLU A 92 -43.798 10.136 -11.943 1.00 0.00 O ATOM 1522 CB GLU A 92 -41.908 7.285 -12.195 1.00 0.00 C ATOM 1523 CG GLU A 92 -42.157 6.062 -13.062 1.00 0.00 C ATOM 1524 CD GLU A 92 -42.491 4.828 -12.248 1.00 0.00 C ATOM 1525 OE1 GLU A 92 -41.582 4.294 -11.578 1.00 0.00 O ATOM 1526 OE2 GLU A 92 -43.662 4.394 -12.280 1.00 0.00 O ATOM 0 H GLU A 92 -40.146 8.820 -13.194 1.00 0.00 H new ATOM 0 HA GLU A 92 -43.015 8.466 -13.620 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -40.867 7.284 -11.871 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -42.521 7.214 -11.297 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -42.975 6.270 -13.751 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -41.273 5.865 -13.668 1.00 0.00 H new ATOM 1533 N ALA A 93 -41.797 9.972 -10.920 1.00 0.00 N ATOM 1534 CA ALA A 93 -42.130 10.942 -9.878 1.00 0.00 C ATOM 1535 C ALA A 93 -42.521 12.287 -10.482 1.00 0.00 C ATOM 1536 O ALA A 93 -43.156 13.112 -9.824 1.00 0.00 O ATOM 1537 CB ALA A 93 -40.968 11.110 -8.903 1.00 0.00 C ATOM 0 H ALA A 93 -40.859 9.579 -10.847 1.00 0.00 H new ATOM 0 HA ALA A 93 -42.989 10.557 -9.328 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -41.238 11.836 -8.136 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -40.746 10.152 -8.433 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -40.089 11.462 -9.442 1.00 0.00 H new ATOM 1543 N MET A 94 -42.145 12.502 -11.739 1.00 0.00 N ATOM 1544 CA MET A 94 -42.467 13.747 -12.426 1.00 0.00 C ATOM 1545 C MET A 94 -43.863 14.225 -12.040 1.00 0.00 C ATOM 1546 O MET A 94 -44.112 15.425 -11.928 1.00 0.00 O ATOM 1547 CB MET A 94 -42.378 13.558 -13.942 1.00 0.00 C ATOM 1548 CG MET A 94 -43.176 14.581 -14.736 1.00 0.00 C ATOM 1549 SD MET A 94 -42.551 14.802 -16.413 1.00 0.00 S ATOM 1550 CE MET A 94 -44.040 15.325 -17.260 1.00 0.00 C ATOM 0 H MET A 94 -41.619 11.832 -12.301 1.00 0.00 H new ATOM 0 HA MET A 94 -41.743 14.503 -12.123 1.00 0.00 H new ATOM 0 HB2 MET A 94 -41.332 13.612 -14.245 1.00 0.00 H new ATOM 0 HB3 MET A 94 -42.732 12.559 -14.196 1.00 0.00 H new ATOM 0 HG2 MET A 94 -44.219 14.267 -14.780 1.00 0.00 H new ATOM 0 HG3 MET A 94 -43.152 15.538 -14.215 1.00 0.00 H new ATOM 0 HE1 MET A 94 -43.817 15.502 -18.312 1.00 0.00 H new ATOM 0 HE2 MET A 94 -44.799 14.547 -17.176 1.00 0.00 H new ATOM 0 HE3 MET A 94 -44.412 16.245 -16.808 1.00 0.00 H new ATOM 1560 N THR A 95 -44.767 13.273 -11.835 1.00 0.00 N ATOM 1561 CA THR A 95 -46.140 13.587 -11.458 1.00 0.00 C ATOM 1562 C THR A 95 -46.722 12.483 -10.582 1.00 0.00 C ATOM 1563 O THR A 95 -46.947 11.364 -11.045 1.00 0.00 O ATOM 1564 CB THR A 95 -47.003 13.775 -12.706 1.00 0.00 C ATOM 1565 OG1 THR A 95 -46.355 14.621 -13.639 1.00 0.00 O ATOM 1566 CG2 THR A 95 -48.361 14.374 -12.409 1.00 0.00 C ATOM 0 H THR A 95 -44.573 12.276 -11.924 1.00 0.00 H new ATOM 0 HA THR A 95 -46.135 14.516 -10.888 1.00 0.00 H new ATOM 0 HB THR A 95 -47.147 12.774 -13.113 1.00 0.00 H new ATOM 0 HG1 THR A 95 -46.921 14.728 -14.432 1.00 0.00 H new ATOM 0 HG21 THR A 95 -48.922 14.481 -13.337 1.00 0.00 H new ATOM 0 HG22 THR A 95 -48.906 13.720 -11.728 1.00 0.00 H new ATOM 0 HG23 THR A 95 -48.234 15.353 -11.947 1.00 0.00 H new ATOM 1574 N ASP A 96 -46.959 12.803 -9.315 1.00 0.00 N ATOM 1575 CA ASP A 96 -47.509 11.835 -8.373 1.00 0.00 C ATOM 1576 C ASP A 96 -49.028 11.950 -8.288 1.00 0.00 C ATOM 1577 O ASP A 96 -49.752 11.026 -8.658 1.00 0.00 O ATOM 1578 CB ASP A 96 -46.895 12.036 -6.986 1.00 0.00 C ATOM 1579 CG ASP A 96 -47.400 11.023 -5.978 1.00 0.00 C ATOM 1580 OD1 ASP A 96 -48.445 11.286 -5.345 1.00 0.00 O ATOM 1581 OD2 ASP A 96 -46.752 9.967 -5.820 1.00 0.00 O ATOM 0 H ASP A 96 -46.779 13.725 -8.916 1.00 0.00 H new ATOM 0 HA ASP A 96 -47.260 10.838 -8.735 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -45.810 11.963 -7.058 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -47.124 13.041 -6.633 1.00 0.00 H new ATOM 1586 N LEU A 97 -49.503 13.087 -7.791 1.00 0.00 N ATOM 1587 CA LEU A 97 -50.936 13.317 -7.650 1.00 0.00 C ATOM 1588 C LEU A 97 -51.547 12.309 -6.683 1.00 0.00 C ATOM 1589 O LEU A 97 -51.730 11.140 -7.021 1.00 0.00 O ATOM 1590 CB LEU A 97 -51.630 13.221 -9.011 1.00 0.00 C ATOM 1591 CG LEU A 97 -52.665 14.314 -9.288 1.00 0.00 C ATOM 1592 CD1 LEU A 97 -52.422 14.949 -10.649 1.00 0.00 C ATOM 1593 CD2 LEU A 97 -54.073 13.744 -9.208 1.00 0.00 C ATOM 0 H LEU A 97 -48.918 13.862 -7.480 1.00 0.00 H new ATOM 0 HA LEU A 97 -51.082 14.320 -7.250 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -50.871 13.254 -9.792 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -52.120 12.250 -9.084 1.00 0.00 H new ATOM 0 HG LEU A 97 -52.562 15.087 -8.527 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -53.168 15.723 -10.828 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -51.426 15.392 -10.671 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -52.497 14.187 -11.425 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -54.797 14.534 -9.407 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -54.187 12.952 -9.948 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -54.245 13.337 -8.211 1.00 0.00 H new ATOM 1605 N PRO A 98 -51.867 12.754 -5.459 1.00 0.00 N ATOM 1606 CA PRO A 98 -52.457 11.892 -4.431 1.00 0.00 C ATOM 1607 C PRO A 98 -53.836 11.379 -4.827 1.00 0.00 C ATOM 1608 O PRO A 98 -54.856 11.980 -4.487 1.00 0.00 O ATOM 1609 CB PRO A 98 -52.552 12.803 -3.202 1.00 0.00 C ATOM 1610 CG PRO A 98 -52.523 14.191 -3.745 1.00 0.00 C ATOM 1611 CD PRO A 98 -51.675 14.133 -4.984 1.00 0.00 C ATOM 0 HA PRO A 98 -51.859 10.996 -4.262 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -53.469 12.617 -2.643 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -51.721 12.630 -2.518 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -53.529 14.540 -3.977 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -52.104 14.886 -3.017 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -51.997 14.863 -5.727 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -50.628 14.341 -4.765 1.00 0.00 H new ATOM 1619 N ALA A 99 -53.859 10.262 -5.546 1.00 0.00 N ATOM 1620 CA ALA A 99 -55.112 9.662 -5.989 1.00 0.00 C ATOM 1621 C ALA A 99 -55.026 8.140 -5.970 1.00 0.00 C ATOM 1622 O ALA A 99 -55.905 7.466 -5.433 1.00 0.00 O ATOM 1623 CB ALA A 99 -55.470 10.155 -7.383 1.00 0.00 C ATOM 0 H ALA A 99 -53.023 9.753 -5.835 1.00 0.00 H new ATOM 0 HA ALA A 99 -55.897 9.965 -5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -56.408 9.699 -7.701 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -55.581 11.239 -7.368 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -54.678 9.881 -8.080 1.00 0.00 H new ATOM 1629 N GLY A 100 -53.962 7.605 -6.559 1.00 0.00 N ATOM 1630 CA GLY A 100 -53.780 6.166 -6.599 1.00 0.00 C ATOM 1631 C GLY A 100 -52.598 5.707 -5.768 1.00 0.00 C ATOM 1632 O GLY A 100 -51.644 6.496 -5.606 1.00 0.00 O ATOM 1633 OXT GLY A 100 -52.627 4.558 -5.278 1.00 0.00 O ATOM 0 H GLY A 100 -53.222 8.143 -7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -54.685 5.678 -6.238 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -53.638 5.850 -7.632 1.00 0.00 H new TER 1637 GLY A 100