USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 HIS : no HE2:sc= -2.04 K(o=-3.2,f=-7.1!) USER MOD Set 1.2: A 58 ASN : amide:sc= -1.21! C(o=-3.2!,f=-6.7!) USER MOD Set 2.1: A 46 HIS : no HE2:sc= 1.22 K(o=2.1,f=-7.1!) USER MOD Set 2.2: A 51 SER OG : rot -173:sc= 0.927 USER MOD Single : A 1 PHE N :NH3+ -138:sc= 0.818 (180deg=-0.0337) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -151:sc= -0.633 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= -1.01 F(o=-3.1,f=-1) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 172:sc=-0.00482 (180deg=-0.0967) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0482) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.724 K(o=0.72,f=-0.16) USER MOD Single : A 32 GLN : amide:sc= 1.19 K(o=1.2,f=-10!) USER MOD Single : A 39 HIS : no HD1:sc= -0.197 X(o=-0.2,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -1.44 K(o=-1.4,f=-3.5!) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 60 SER OG : rot -130:sc= 0.758 USER MOD Single : A 62 SER OG : rot -172:sc= 1.27 USER MOD Single : A 63 GLN : amide:sc= -0.819 K(o=-0.82,f=-1.8) USER MOD Single : A 67 HIS : no HE2:sc= 1.05 K(o=1,f=-5.9!) USER MOD Single : A 68 GLN : amide:sc= -0.713 K(o=-0.71,f=-1.4) USER MOD Single : A 71 LYS NZ :NH3+ 162:sc= 1.15 (180deg=0.721) USER MOD Single : A 73 HIS :FLIP no HE2:sc= 0.19 F(o=-1,f=0.19) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0455 USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= -0.0173 (180deg=-0.169) USER MOD Single : A 80 ASN : amide:sc= -0.341 X(o=-0.34,f=-0.011) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0515) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 15.634 -12.097 2.263 1.00 0.00 N ATOM 2 CA PHE A 1 15.398 -10.930 3.143 1.00 0.00 C ATOM 3 C PHE A 1 13.940 -10.500 3.089 1.00 0.00 C ATOM 4 O PHE A 1 13.310 -10.494 2.027 1.00 0.00 O ATOM 5 CB PHE A 1 16.328 -9.762 2.772 1.00 0.00 C ATOM 6 CG PHE A 1 16.239 -9.318 1.338 1.00 0.00 C ATOM 7 CD1 PHE A 1 16.992 -9.941 0.355 1.00 0.00 C ATOM 8 CD2 PHE A 1 15.408 -8.271 0.974 1.00 0.00 C ATOM 9 CE1 PHE A 1 16.918 -9.532 -0.961 1.00 0.00 C ATOM 10 CE2 PHE A 1 15.328 -7.856 -0.342 1.00 0.00 C ATOM 11 CZ PHE A 1 16.083 -8.489 -1.310 1.00 0.00 C ATOM 0 H1 PHE A 1 16.255 -12.777 2.747 1.00 0.00 H new ATOM 0 H2 PHE A 1 14.726 -12.554 2.041 1.00 0.00 H new ATOM 0 H3 PHE A 1 16.087 -11.781 1.382 1.00 0.00 H new ATOM 0 HA PHE A 1 15.627 -11.228 4.166 1.00 0.00 H new ATOM 0 HB2 PHE A 1 16.097 -8.913 3.416 1.00 0.00 H new ATOM 0 HB3 PHE A 1 17.357 -10.053 2.985 1.00 0.00 H new ATOM 0 HD1 PHE A 1 17.646 -10.758 0.623 1.00 0.00 H new ATOM 0 HD2 PHE A 1 14.816 -7.773 1.727 1.00 0.00 H new ATOM 0 HE1 PHE A 1 17.512 -10.026 -1.716 1.00 0.00 H new ATOM 0 HE2 PHE A 1 14.676 -7.038 -0.613 1.00 0.00 H new ATOM 0 HZ PHE A 1 16.020 -8.168 -2.339 1.00 0.00 H new ATOM 23 N LEU A 2 13.401 -10.174 4.248 1.00 0.00 N ATOM 24 CA LEU A 2 12.049 -9.661 4.353 1.00 0.00 C ATOM 25 C LEU A 2 12.088 -8.284 4.984 1.00 0.00 C ATOM 26 O LEU A 2 12.947 -8.014 5.822 1.00 0.00 O ATOM 27 CB LEU A 2 11.170 -10.614 5.175 1.00 0.00 C ATOM 28 CG LEU A 2 11.610 -10.847 6.626 1.00 0.00 C ATOM 29 CD1 LEU A 2 10.877 -9.911 7.578 1.00 0.00 C ATOM 30 CD2 LEU A 2 11.392 -12.300 7.017 1.00 0.00 C ATOM 0 H LEU A 2 13.887 -10.257 5.141 1.00 0.00 H new ATOM 0 HA LEU A 2 11.612 -9.586 3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 2 10.152 -10.223 5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 2 11.138 -11.577 4.666 1.00 0.00 H new ATOM 0 HG LEU A 2 12.675 -10.626 6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 2 11.208 -10.098 8.599 1.00 0.00 H new ATOM 0 HD12 LEU A 2 11.093 -8.877 7.310 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.804 -10.087 7.507 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.709 -12.451 8.049 1.00 0.00 H new ATOM 0 HD22 LEU A 2 10.335 -12.548 6.922 1.00 0.00 H new ATOM 0 HD23 LEU A 2 11.976 -12.945 6.361 1.00 0.00 H new ATOM 42 N LEU A 3 11.195 -7.410 4.556 1.00 0.00 N ATOM 43 CA LEU A 3 11.134 -6.072 5.119 1.00 0.00 C ATOM 44 C LEU A 3 10.544 -6.115 6.522 1.00 0.00 C ATOM 45 O LEU A 3 9.371 -6.449 6.702 1.00 0.00 O ATOM 46 CB LEU A 3 10.319 -5.127 4.224 1.00 0.00 C ATOM 47 CG LEU A 3 11.047 -4.598 2.979 1.00 0.00 C ATOM 48 CD1 LEU A 3 12.350 -3.917 3.373 1.00 0.00 C ATOM 49 CD2 LEU A 3 11.306 -5.713 1.975 1.00 0.00 C ATOM 0 H LEU A 3 10.507 -7.599 3.827 1.00 0.00 H new ATOM 0 HA LEU A 3 12.151 -5.685 5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.418 -5.649 3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.997 -4.276 4.824 1.00 0.00 H new ATOM 0 HG LEU A 3 10.401 -3.862 2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.853 -3.548 2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 3 12.137 -3.082 4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.995 -4.633 3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.822 -5.307 1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.924 -6.483 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.357 -6.149 1.663 1.00 0.00 H new ATOM 61 N PRO A 4 11.370 -5.812 7.537 1.00 0.00 N ATOM 62 CA PRO A 4 10.935 -5.794 8.935 1.00 0.00 C ATOM 63 C PRO A 4 9.775 -4.825 9.163 1.00 0.00 C ATOM 64 O PRO A 4 9.676 -3.792 8.494 1.00 0.00 O ATOM 65 CB PRO A 4 12.177 -5.328 9.699 1.00 0.00 C ATOM 66 CG PRO A 4 13.322 -5.631 8.796 1.00 0.00 C ATOM 67 CD PRO A 4 12.797 -5.480 7.398 1.00 0.00 C ATOM 0 HA PRO A 4 10.567 -6.768 9.257 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.124 -4.263 9.926 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.275 -5.852 10.650 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.153 -4.949 8.977 1.00 0.00 H new ATOM 0 HG3 PRO A 4 13.696 -6.641 8.965 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.940 -4.467 7.021 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.301 -6.152 6.704 1.00 0.00 H new ATOM 75 N PRO A 5 8.880 -5.152 10.109 1.00 0.00 N ATOM 76 CA PRO A 5 7.709 -4.325 10.416 1.00 0.00 C ATOM 77 C PRO A 5 8.079 -2.876 10.727 1.00 0.00 C ATOM 78 O PRO A 5 8.946 -2.608 11.565 1.00 0.00 O ATOM 79 CB PRO A 5 7.108 -4.997 11.652 1.00 0.00 C ATOM 80 CG PRO A 5 7.577 -6.409 11.584 1.00 0.00 C ATOM 81 CD PRO A 5 8.936 -6.362 10.953 1.00 0.00 C ATOM 0 HA PRO A 5 7.025 -4.267 9.569 1.00 0.00 H new ATOM 0 HB2 PRO A 5 7.444 -4.512 12.569 1.00 0.00 H new ATOM 0 HB3 PRO A 5 6.019 -4.941 11.643 1.00 0.00 H new ATOM 0 HG2 PRO A 5 7.623 -6.853 12.578 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.893 -7.019 10.994 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.725 -6.293 11.702 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.135 -7.256 10.362 1.00 0.00 H new ATOM 89 N SER A 6 7.422 -1.953 10.026 1.00 0.00 N ATOM 90 CA SER A 6 7.613 -0.520 10.233 1.00 0.00 C ATOM 91 C SER A 6 9.031 -0.081 9.862 1.00 0.00 C ATOM 92 O SER A 6 9.532 0.918 10.375 1.00 0.00 O ATOM 93 CB SER A 6 7.303 -0.152 11.686 1.00 0.00 C ATOM 94 OG SER A 6 6.065 -0.708 12.097 1.00 0.00 O ATOM 0 H SER A 6 6.743 -2.178 9.299 1.00 0.00 H new ATOM 0 HA SER A 6 6.922 0.008 9.575 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.101 -0.513 12.335 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.272 0.932 11.792 1.00 0.00 H new ATOM 0 HG SER A 6 5.889 -0.461 13.029 1.00 0.00 H new ATOM 100 N THR A 7 9.670 -0.827 8.970 1.00 0.00 N ATOM 101 CA THR A 7 10.986 -0.461 8.477 1.00 0.00 C ATOM 102 C THR A 7 10.920 -0.183 6.974 1.00 0.00 C ATOM 103 O THR A 7 11.182 -1.061 6.147 1.00 0.00 O ATOM 104 CB THR A 7 12.018 -1.568 8.771 1.00 0.00 C ATOM 105 OG1 THR A 7 11.893 -1.984 10.139 1.00 0.00 O ATOM 106 CG2 THR A 7 13.435 -1.077 8.516 1.00 0.00 C ATOM 0 H THR A 7 9.296 -1.689 8.575 1.00 0.00 H new ATOM 0 HA THR A 7 11.307 0.443 8.995 1.00 0.00 H new ATOM 0 HB THR A 7 11.822 -2.409 8.105 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.761 -2.302 10.465 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.142 -1.878 8.731 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.534 -0.777 7.473 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.646 -0.224 9.161 1.00 0.00 H new ATOM 114 N ALA A 8 10.540 1.038 6.630 1.00 0.00 N ATOM 115 CA ALA A 8 10.304 1.400 5.243 1.00 0.00 C ATOM 116 C ALA A 8 11.558 1.943 4.571 1.00 0.00 C ATOM 117 O ALA A 8 11.834 3.142 4.605 1.00 0.00 O ATOM 118 CB ALA A 8 9.169 2.407 5.148 1.00 0.00 C ATOM 0 H ALA A 8 10.388 1.796 7.295 1.00 0.00 H new ATOM 0 HA ALA A 8 10.022 0.492 4.711 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.002 2.670 4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.260 1.971 5.562 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.430 3.303 5.711 1.00 0.00 H new ATOM 124 N CYS A 9 12.330 1.045 3.989 1.00 0.00 N ATOM 125 CA CYS A 9 13.445 1.420 3.136 1.00 0.00 C ATOM 126 C CYS A 9 13.661 0.322 2.109 1.00 0.00 C ATOM 127 O CYS A 9 14.641 -0.421 2.145 1.00 0.00 O ATOM 128 CB CYS A 9 14.716 1.681 3.948 1.00 0.00 C ATOM 129 SG CYS A 9 16.053 2.516 3.015 1.00 0.00 S ATOM 0 H CYS A 9 12.204 0.038 4.093 1.00 0.00 H new ATOM 0 HA CYS A 9 13.208 2.354 2.627 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.460 2.290 4.815 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.092 0.730 4.326 1.00 0.00 H new ATOM 134 N CYS A 10 12.681 0.196 1.233 1.00 0.00 N ATOM 135 CA CYS A 10 12.674 -0.816 0.197 1.00 0.00 C ATOM 136 C CYS A 10 13.313 -0.277 -1.076 1.00 0.00 C ATOM 137 O CYS A 10 13.091 0.875 -1.447 1.00 0.00 O ATOM 138 CB CYS A 10 11.233 -1.240 -0.083 1.00 0.00 C ATOM 139 SG CYS A 10 11.030 -2.299 -1.546 1.00 0.00 S ATOM 0 H CYS A 10 11.860 0.801 1.222 1.00 0.00 H new ATOM 0 HA CYS A 10 13.250 -1.677 0.535 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.847 -1.768 0.789 1.00 0.00 H new ATOM 0 HB3 CYS A 10 10.623 -0.346 -0.210 1.00 0.00 H new ATOM 144 N THR A 11 14.124 -1.102 -1.723 1.00 0.00 N ATOM 145 CA THR A 11 14.747 -0.714 -2.977 1.00 0.00 C ATOM 146 C THR A 11 14.316 -1.615 -4.137 1.00 0.00 C ATOM 147 O THR A 11 14.214 -1.163 -5.279 1.00 0.00 O ATOM 148 CB THR A 11 16.280 -0.718 -2.849 1.00 0.00 C ATOM 149 OG1 THR A 11 16.711 -1.893 -2.143 1.00 0.00 O ATOM 150 CG2 THR A 11 16.761 0.524 -2.115 1.00 0.00 C ATOM 0 H THR A 11 14.364 -2.040 -1.401 1.00 0.00 H new ATOM 0 HA THR A 11 14.409 0.298 -3.199 1.00 0.00 H new ATOM 0 HB THR A 11 16.708 -0.720 -3.851 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.688 -1.889 -2.067 1.00 0.00 H new ATOM 0 HG21 THR A 11 17.848 0.501 -2.035 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.456 1.413 -2.666 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.324 0.549 -1.117 1.00 0.00 H new ATOM 158 N GLN A 12 14.063 -2.888 -3.848 1.00 0.00 N ATOM 159 CA GLN A 12 13.592 -3.822 -4.867 1.00 0.00 C ATOM 160 C GLN A 12 12.065 -3.797 -4.979 1.00 0.00 C ATOM 161 O GLN A 12 11.351 -4.416 -4.197 1.00 0.00 O ATOM 162 CB GLN A 12 14.131 -5.251 -4.630 1.00 0.00 C ATOM 163 CG GLN A 12 14.397 -5.629 -3.171 1.00 0.00 C ATOM 164 CD GLN A 12 13.134 -5.817 -2.353 1.00 0.00 C ATOM 165 OE1 GLN A 12 12.690 -4.754 -1.702 1.00 0.00 O flip ATOM 166 NE2 GLN A 12 12.578 -6.911 -2.285 1.00 0.00 N flip ATOM 0 H GLN A 12 14.176 -3.296 -2.920 1.00 0.00 H new ATOM 0 HA GLN A 12 13.993 -3.491 -5.825 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.417 -5.962 -5.045 1.00 0.00 H new ATOM 0 HB3 GLN A 12 15.059 -5.367 -5.191 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.978 -6.551 -3.143 1.00 0.00 H new ATOM 0 HG3 GLN A 12 15.007 -4.853 -2.709 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.952 -7.706 -2.803 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.742 -7.024 -1.711 1.00 0.00 H new ATOM 175 N LEU A 13 11.582 -3.057 -5.964 1.00 0.00 N ATOM 176 CA LEU A 13 10.154 -2.853 -6.156 1.00 0.00 C ATOM 177 C LEU A 13 9.551 -3.985 -6.991 1.00 0.00 C ATOM 178 O LEU A 13 10.177 -4.468 -7.937 1.00 0.00 O ATOM 179 CB LEU A 13 9.931 -1.502 -6.836 1.00 0.00 C ATOM 180 CG LEU A 13 10.566 -0.312 -6.107 1.00 0.00 C ATOM 181 CD1 LEU A 13 10.747 0.864 -7.049 1.00 0.00 C ATOM 182 CD2 LEU A 13 9.713 0.098 -4.920 1.00 0.00 C ATOM 0 H LEU A 13 12.166 -2.582 -6.652 1.00 0.00 H new ATOM 0 HA LEU A 13 9.656 -2.857 -5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.332 -1.548 -7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.859 -1.327 -6.926 1.00 0.00 H new ATOM 0 HG LEU A 13 11.548 -0.620 -5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.199 1.696 -6.509 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.395 0.572 -7.875 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.777 1.170 -7.440 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.177 0.944 -4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.720 0.383 -5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.628 -0.739 -4.226 1.00 0.00 H new ATOM 194 N TYR A 14 8.336 -4.401 -6.639 1.00 0.00 N ATOM 195 CA TYR A 14 7.691 -5.550 -7.278 1.00 0.00 C ATOM 196 C TYR A 14 7.315 -5.250 -8.730 1.00 0.00 C ATOM 197 O TYR A 14 7.128 -6.173 -9.524 1.00 0.00 O ATOM 198 CB TYR A 14 6.449 -5.960 -6.481 1.00 0.00 C ATOM 199 CG TYR A 14 5.839 -7.273 -6.922 1.00 0.00 C ATOM 200 CD1 TYR A 14 6.513 -8.472 -6.725 1.00 0.00 C ATOM 201 CD2 TYR A 14 4.594 -7.314 -7.536 1.00 0.00 C ATOM 202 CE1 TYR A 14 5.963 -9.673 -7.126 1.00 0.00 C ATOM 203 CE2 TYR A 14 4.038 -8.512 -7.939 1.00 0.00 C ATOM 204 CZ TYR A 14 4.725 -9.688 -7.734 1.00 0.00 C ATOM 205 OH TYR A 14 4.176 -10.885 -8.140 1.00 0.00 O ATOM 0 H TYR A 14 7.775 -3.958 -5.911 1.00 0.00 H new ATOM 0 HA TYR A 14 8.404 -6.375 -7.287 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.714 -6.031 -5.426 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.698 -5.175 -6.569 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.483 -8.464 -6.250 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.052 -6.394 -7.701 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.499 -10.596 -6.964 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.068 -8.527 -8.413 1.00 0.00 H new ATOM 0 HH TYR A 14 3.300 -10.721 -8.549 1.00 0.00 H new ATOM 215 N ARG A 15 7.197 -3.954 -9.051 1.00 0.00 N ATOM 216 CA ARG A 15 6.949 -3.459 -10.422 1.00 0.00 C ATOM 217 C ARG A 15 5.851 -4.233 -11.167 1.00 0.00 C ATOM 218 O ARG A 15 5.887 -4.346 -12.392 1.00 0.00 O ATOM 219 CB ARG A 15 8.253 -3.436 -11.249 1.00 0.00 C ATOM 220 CG ARG A 15 9.001 -4.759 -11.306 1.00 0.00 C ATOM 221 CD ARG A 15 10.322 -4.631 -12.037 1.00 0.00 C ATOM 222 NE ARG A 15 11.123 -5.850 -11.927 1.00 0.00 N ATOM 223 CZ ARG A 15 12.094 -6.179 -12.775 1.00 0.00 C ATOM 224 NH1 ARG A 15 12.356 -5.405 -13.819 1.00 0.00 N ATOM 225 NH2 ARG A 15 12.800 -7.288 -12.589 1.00 0.00 N ATOM 0 H ARG A 15 7.271 -3.207 -8.361 1.00 0.00 H new ATOM 0 HA ARG A 15 6.581 -2.440 -10.307 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.015 -3.126 -12.267 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.917 -2.678 -10.832 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.180 -5.118 -10.293 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.382 -5.505 -11.804 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.136 -4.412 -13.088 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.883 -3.789 -11.630 1.00 0.00 H new ATOM 0 HE ARG A 15 10.925 -6.486 -11.154 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.813 -4.556 -13.973 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.101 -5.659 -14.468 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.599 -7.893 -11.793 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.543 -7.535 -13.242 1.00 0.00 H new ATOM 239 N LYS A 16 4.862 -4.730 -10.433 1.00 0.00 N ATOM 240 CA LYS A 16 3.726 -5.424 -11.032 1.00 0.00 C ATOM 241 C LYS A 16 2.444 -5.090 -10.277 1.00 0.00 C ATOM 242 O LYS A 16 2.482 -4.813 -9.079 1.00 0.00 O ATOM 243 CB LYS A 16 3.934 -6.941 -11.031 1.00 0.00 C ATOM 244 CG LYS A 16 4.958 -7.438 -12.039 1.00 0.00 C ATOM 245 CD LYS A 16 4.952 -8.953 -12.107 1.00 0.00 C ATOM 246 CE LYS A 16 5.922 -9.485 -13.150 1.00 0.00 C ATOM 247 NZ LYS A 16 7.328 -9.104 -12.859 1.00 0.00 N ATOM 0 H LYS A 16 4.824 -4.665 -9.416 1.00 0.00 H new ATOM 0 HA LYS A 16 3.642 -5.086 -12.065 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.245 -7.252 -10.033 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.979 -7.426 -11.233 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.738 -7.024 -13.023 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.951 -7.085 -11.760 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.213 -9.360 -11.130 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.945 -9.301 -12.339 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.844 -10.571 -13.195 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.641 -9.105 -14.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.965 -9.599 -13.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.440 -8.077 -12.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.565 -9.370 -11.882 1.00 0.00 H new ATOM 261 N PRO A 17 1.298 -5.090 -10.976 1.00 0.00 N ATOM 262 CA PRO A 17 -0.011 -4.865 -10.360 1.00 0.00 C ATOM 263 C PRO A 17 -0.455 -6.060 -9.517 1.00 0.00 C ATOM 264 O PRO A 17 -0.311 -7.214 -9.930 1.00 0.00 O ATOM 265 CB PRO A 17 -0.959 -4.673 -11.555 1.00 0.00 C ATOM 266 CG PRO A 17 -0.080 -4.555 -12.755 1.00 0.00 C ATOM 267 CD PRO A 17 1.179 -5.299 -12.422 1.00 0.00 C ATOM 0 HA PRO A 17 0.003 -4.013 -9.680 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.642 -5.517 -11.652 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.571 -3.780 -11.429 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.563 -4.980 -13.635 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.133 -3.510 -12.981 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.104 -6.357 -12.674 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.039 -4.903 -12.961 1.00 0.00 H new ATOM 275 N LEU A 18 -0.997 -5.781 -8.341 1.00 0.00 N ATOM 276 CA LEU A 18 -1.420 -6.835 -7.433 1.00 0.00 C ATOM 277 C LEU A 18 -2.873 -7.221 -7.692 1.00 0.00 C ATOM 278 O LEU A 18 -3.619 -6.481 -8.339 1.00 0.00 O ATOM 279 CB LEU A 18 -1.232 -6.393 -5.976 1.00 0.00 C ATOM 280 CG LEU A 18 0.205 -6.031 -5.591 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.304 -5.703 -4.109 1.00 0.00 C ATOM 282 CD2 LEU A 18 1.154 -7.161 -5.951 1.00 0.00 C ATOM 0 H LEU A 18 -1.154 -4.835 -7.994 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.798 -7.712 -7.612 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.871 -5.530 -5.788 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.577 -7.194 -5.322 1.00 0.00 H new ATOM 0 HG LEU A 18 0.493 -5.144 -6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.335 -5.449 -3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.344 -4.857 -3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.008 -6.568 -3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.171 -6.886 -5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.862 -8.065 -5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.111 -7.344 -7.025 1.00 0.00 H new ATOM 294 N SER A 19 -3.266 -8.387 -7.203 1.00 0.00 N ATOM 295 CA SER A 19 -4.615 -8.894 -7.411 1.00 0.00 C ATOM 296 C SER A 19 -5.527 -8.519 -6.248 1.00 0.00 C ATOM 297 O SER A 19 -5.095 -8.485 -5.098 1.00 0.00 O ATOM 298 CB SER A 19 -4.577 -10.407 -7.594 1.00 0.00 C ATOM 299 OG SER A 19 -3.741 -10.762 -8.685 1.00 0.00 O ATOM 0 H SER A 19 -2.666 -9.004 -6.656 1.00 0.00 H new ATOM 0 HA SER A 19 -5.021 -8.436 -8.313 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.212 -10.879 -6.682 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.586 -10.783 -7.766 1.00 0.00 H new ATOM 0 HG SER A 19 -3.729 -11.737 -8.784 1.00 0.00 H new ATOM 305 N ASP A 20 -6.791 -8.254 -6.562 1.00 0.00 N ATOM 306 CA ASP A 20 -7.758 -7.769 -5.577 1.00 0.00 C ATOM 307 C ASP A 20 -7.936 -8.755 -4.428 1.00 0.00 C ATOM 308 O ASP A 20 -8.101 -8.354 -3.275 1.00 0.00 O ATOM 309 CB ASP A 20 -9.110 -7.513 -6.241 1.00 0.00 C ATOM 310 CG ASP A 20 -10.077 -6.799 -5.321 1.00 0.00 C ATOM 311 OD1 ASP A 20 -9.987 -5.559 -5.209 1.00 0.00 O ATOM 312 OD2 ASP A 20 -10.937 -7.472 -4.708 1.00 0.00 O ATOM 0 H ASP A 20 -7.175 -8.368 -7.500 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.366 -6.837 -5.170 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.963 -6.918 -7.142 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.544 -8.463 -6.554 1.00 0.00 H new ATOM 317 N LYS A 21 -7.900 -10.043 -4.745 1.00 0.00 N ATOM 318 CA LYS A 21 -8.063 -11.079 -3.731 1.00 0.00 C ATOM 319 C LYS A 21 -6.981 -10.985 -2.663 1.00 0.00 C ATOM 320 O LYS A 21 -7.272 -11.065 -1.471 1.00 0.00 O ATOM 321 CB LYS A 21 -8.062 -12.472 -4.363 1.00 0.00 C ATOM 322 CG LYS A 21 -9.340 -12.790 -5.120 1.00 0.00 C ATOM 323 CD LYS A 21 -9.353 -14.227 -5.617 1.00 0.00 C ATOM 324 CE LYS A 21 -10.711 -14.605 -6.186 1.00 0.00 C ATOM 325 NZ LYS A 21 -11.091 -13.751 -7.341 1.00 0.00 N ATOM 0 H LYS A 21 -7.760 -10.395 -5.692 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.029 -10.916 -3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.215 -12.554 -5.044 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.916 -13.218 -3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.199 -12.621 -4.471 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.441 -12.111 -5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.588 -14.356 -6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.100 -14.899 -4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.695 -15.649 -6.498 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.467 -14.517 -5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.982 -14.097 -7.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.215 -12.769 -7.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.342 -13.788 -8.062 1.00 0.00 H new ATOM 339 N LEU A 22 -5.732 -10.820 -3.082 1.00 0.00 N ATOM 340 CA LEU A 22 -4.651 -10.647 -2.126 1.00 0.00 C ATOM 341 C LEU A 22 -4.694 -9.247 -1.514 1.00 0.00 C ATOM 342 O LEU A 22 -4.271 -9.045 -0.376 1.00 0.00 O ATOM 343 CB LEU A 22 -3.279 -10.965 -2.756 1.00 0.00 C ATOM 344 CG LEU A 22 -2.792 -10.047 -3.885 1.00 0.00 C ATOM 345 CD1 LEU A 22 -2.146 -8.785 -3.329 1.00 0.00 C ATOM 346 CD2 LEU A 22 -1.809 -10.795 -4.777 1.00 0.00 C ATOM 0 H LEU A 22 -5.448 -10.803 -4.061 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.793 -11.364 -1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.532 -10.949 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.313 -11.984 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.656 -9.748 -4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.811 -8.155 -4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.872 -8.239 -2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.292 -9.056 -2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.468 -10.136 -5.576 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.954 -11.119 -4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.301 -11.666 -5.210 1.00 0.00 H new ATOM 358 N LEU A 23 -5.228 -8.289 -2.270 1.00 0.00 N ATOM 359 CA LEU A 23 -5.326 -6.912 -1.804 1.00 0.00 C ATOM 360 C LEU A 23 -6.290 -6.792 -0.628 1.00 0.00 C ATOM 361 O LEU A 23 -6.024 -6.055 0.313 1.00 0.00 O ATOM 362 CB LEU A 23 -5.749 -5.968 -2.938 1.00 0.00 C ATOM 363 CG LEU A 23 -4.668 -5.689 -3.992 1.00 0.00 C ATOM 364 CD1 LEU A 23 -5.212 -4.822 -5.120 1.00 0.00 C ATOM 365 CD2 LEU A 23 -3.465 -5.021 -3.346 1.00 0.00 C ATOM 0 H LEU A 23 -5.599 -8.444 -3.208 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.334 -6.615 -1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.620 -6.393 -3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.063 -5.019 -2.502 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.357 -6.642 -4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.425 -4.641 -5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.045 -5.333 -5.603 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.556 -3.871 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.705 -4.828 -4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.772 -4.079 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.054 -5.676 -2.578 1.00 0.00 H new ATOM 377 N ARG A 24 -7.391 -7.545 -0.655 1.00 0.00 N ATOM 378 CA ARG A 24 -8.388 -7.482 0.423 1.00 0.00 C ATOM 379 C ARG A 24 -7.830 -8.027 1.743 1.00 0.00 C ATOM 380 O ARG A 24 -8.541 -8.122 2.743 1.00 0.00 O ATOM 381 CB ARG A 24 -9.661 -8.240 0.030 1.00 0.00 C ATOM 382 CG ARG A 24 -9.540 -9.750 0.073 1.00 0.00 C ATOM 383 CD ARG A 24 -10.802 -10.413 -0.453 1.00 0.00 C ATOM 384 NE ARG A 24 -10.910 -11.803 -0.022 1.00 0.00 N ATOM 385 CZ ARG A 24 -11.184 -12.822 -0.833 1.00 0.00 C ATOM 386 NH1 ARG A 24 -11.366 -12.615 -2.134 1.00 0.00 N ATOM 387 NH2 ARG A 24 -11.284 -14.049 -0.339 1.00 0.00 N ATOM 0 H ARG A 24 -7.617 -8.201 -1.403 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.637 -6.432 0.575 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.469 -7.935 0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.949 -7.941 -0.978 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.683 -10.067 -0.522 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.354 -10.074 1.097 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.674 -9.858 -0.108 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.807 -10.370 -1.542 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.766 -12.007 0.967 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.296 -11.671 -2.515 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.576 -13.400 -2.751 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.151 -14.209 0.660 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.494 -14.832 -0.958 1.00 0.00 H new ATOM 401 N LYS A 25 -6.555 -8.376 1.735 1.00 0.00 N ATOM 402 CA LYS A 25 -5.871 -8.866 2.924 1.00 0.00 C ATOM 403 C LYS A 25 -4.740 -7.921 3.311 1.00 0.00 C ATOM 404 O LYS A 25 -3.994 -8.177 4.263 1.00 0.00 O ATOM 405 CB LYS A 25 -5.302 -10.257 2.680 1.00 0.00 C ATOM 406 CG LYS A 25 -6.284 -11.210 2.014 1.00 0.00 C ATOM 407 CD LYS A 25 -5.718 -12.615 1.904 1.00 0.00 C ATOM 408 CE LYS A 25 -4.342 -12.609 1.269 1.00 0.00 C ATOM 409 NZ LYS A 25 -3.814 -13.983 1.062 1.00 0.00 N ATOM 0 H LYS A 25 -5.963 -8.328 0.906 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.597 -8.914 3.736 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.412 -10.172 2.057 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.985 -10.683 3.632 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.211 -11.235 2.586 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.533 -10.839 1.020 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.661 -13.064 2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.391 -13.235 1.311 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.388 -12.091 0.311 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.654 -12.049 1.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.871 -13.931 0.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.745 -14.470 1.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.456 -14.511 0.437 1.00 0.00 H new ATOM 423 N VAL A 26 -4.606 -6.836 2.559 1.00 0.00 N ATOM 424 CA VAL A 26 -3.586 -5.836 2.834 1.00 0.00 C ATOM 425 C VAL A 26 -4.102 -4.874 3.889 1.00 0.00 C ATOM 426 O VAL A 26 -4.803 -3.917 3.583 1.00 0.00 O ATOM 427 CB VAL A 26 -3.188 -5.045 1.570 1.00 0.00 C ATOM 428 CG1 VAL A 26 -2.097 -4.039 1.889 1.00 0.00 C ATOM 429 CG2 VAL A 26 -2.733 -5.982 0.463 1.00 0.00 C ATOM 0 H VAL A 26 -5.194 -6.627 1.752 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.697 -6.357 3.189 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.068 -4.505 1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.831 -3.492 0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.456 -3.340 2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.219 -4.562 2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.458 -5.400 -0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.870 -6.555 0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.544 -6.664 0.208 1.00 0.00 H new ATOM 439 N ILE A 27 -3.751 -5.143 5.132 1.00 0.00 N ATOM 440 CA ILE A 27 -4.334 -4.445 6.266 1.00 0.00 C ATOM 441 C ILE A 27 -3.746 -3.047 6.446 1.00 0.00 C ATOM 442 O ILE A 27 -4.350 -2.193 7.099 1.00 0.00 O ATOM 443 CB ILE A 27 -4.147 -5.262 7.561 1.00 0.00 C ATOM 444 CG1 ILE A 27 -2.659 -5.395 7.907 1.00 0.00 C ATOM 445 CG2 ILE A 27 -4.784 -6.639 7.397 1.00 0.00 C ATOM 446 CD1 ILE A 27 -2.394 -6.110 9.215 1.00 0.00 C ATOM 0 H ILE A 27 -3.058 -5.847 5.385 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.398 -4.334 6.058 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.638 -4.739 8.382 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.156 -5.932 7.103 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.216 -4.400 7.952 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.650 -7.213 8.314 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.849 -6.525 7.192 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.309 -7.163 6.568 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.319 -6.164 9.389 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.867 -5.563 10.031 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.805 -7.118 9.168 1.00 0.00 H new ATOM 458 N GLN A 28 -2.571 -2.812 5.872 1.00 0.00 N ATOM 459 CA GLN A 28 -1.899 -1.527 6.012 1.00 0.00 C ATOM 460 C GLN A 28 -1.367 -1.025 4.676 1.00 0.00 C ATOM 461 O GLN A 28 -0.790 -1.784 3.898 1.00 0.00 O ATOM 462 CB GLN A 28 -0.745 -1.629 7.013 1.00 0.00 C ATOM 463 CG GLN A 28 -1.193 -1.763 8.459 1.00 0.00 C ATOM 464 CD GLN A 28 -1.856 -0.502 8.982 1.00 0.00 C ATOM 465 OE1 GLN A 28 -1.198 0.371 9.542 1.00 0.00 O ATOM 466 NE2 GLN A 28 -3.158 -0.393 8.790 1.00 0.00 N ATOM 0 H GLN A 28 -2.066 -3.494 5.306 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.638 -0.815 6.380 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.127 -2.489 6.753 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.116 -0.744 6.919 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.889 -2.598 8.544 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.331 -2.002 9.082 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.669 -1.141 8.320 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.653 0.439 9.111 1.00 0.00 H new ATOM 475 N VAL A 29 -1.580 0.254 4.418 1.00 0.00 N ATOM 476 CA VAL A 29 -0.993 0.925 3.268 1.00 0.00 C ATOM 477 C VAL A 29 -0.060 2.011 3.774 1.00 0.00 C ATOM 478 O VAL A 29 -0.506 2.960 4.414 1.00 0.00 O ATOM 479 CB VAL A 29 -2.069 1.569 2.367 1.00 0.00 C ATOM 480 CG1 VAL A 29 -1.441 2.173 1.119 1.00 0.00 C ATOM 481 CG2 VAL A 29 -3.141 0.557 1.997 1.00 0.00 C ATOM 0 H VAL A 29 -2.164 0.857 4.998 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.458 0.185 2.673 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.543 2.373 2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.219 2.620 0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.722 2.939 1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.932 1.392 0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.888 1.034 1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.686 -0.275 1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.619 0.186 2.903 1.00 0.00 H new ATOM 491 N GLU A 30 1.226 1.876 3.512 1.00 0.00 N ATOM 492 CA GLU A 30 2.191 2.798 4.080 1.00 0.00 C ATOM 493 C GLU A 30 3.091 3.409 3.015 1.00 0.00 C ATOM 494 O GLU A 30 3.491 2.749 2.054 1.00 0.00 O ATOM 495 CB GLU A 30 3.012 2.091 5.159 1.00 0.00 C ATOM 496 CG GLU A 30 3.686 0.815 4.689 1.00 0.00 C ATOM 497 CD GLU A 30 4.176 -0.026 5.856 1.00 0.00 C ATOM 498 OE1 GLU A 30 5.194 0.353 6.478 1.00 0.00 O ATOM 499 OE2 GLU A 30 3.537 -1.054 6.173 1.00 0.00 O ATOM 0 H GLU A 30 1.623 1.148 2.918 1.00 0.00 H new ATOM 0 HA GLU A 30 1.643 3.623 4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.774 2.777 5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.360 1.856 6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.985 0.233 4.090 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.527 1.065 4.042 1.00 0.00 H new ATOM 506 N LEU A 31 3.392 4.686 3.194 1.00 0.00 N ATOM 507 CA LEU A 31 4.227 5.422 2.264 1.00 0.00 C ATOM 508 C LEU A 31 5.676 5.418 2.727 1.00 0.00 C ATOM 509 O LEU A 31 5.981 5.781 3.863 1.00 0.00 O ATOM 510 CB LEU A 31 3.723 6.866 2.127 1.00 0.00 C ATOM 511 CG LEU A 31 4.621 7.809 1.317 1.00 0.00 C ATOM 512 CD1 LEU A 31 4.761 7.324 -0.116 1.00 0.00 C ATOM 513 CD2 LEU A 31 4.061 9.223 1.349 1.00 0.00 C ATOM 0 H LEU A 31 3.064 5.238 3.987 1.00 0.00 H new ATOM 0 HA LEU A 31 4.172 4.933 1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.737 6.845 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.596 7.284 3.126 1.00 0.00 H new ATOM 0 HG LEU A 31 5.612 7.814 1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.402 8.009 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.203 6.328 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.778 7.287 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.707 9.883 0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.059 9.227 0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.015 9.573 2.380 1.00 0.00 H new ATOM 525 N GLN A 32 6.554 4.983 1.844 1.00 0.00 N ATOM 526 CA GLN A 32 7.980 5.040 2.084 1.00 0.00 C ATOM 527 C GLN A 32 8.527 6.355 1.553 1.00 0.00 C ATOM 528 O GLN A 32 8.514 6.607 0.348 1.00 0.00 O ATOM 529 CB GLN A 32 8.673 3.861 1.417 1.00 0.00 C ATOM 530 CG GLN A 32 10.181 3.977 1.412 1.00 0.00 C ATOM 531 CD GLN A 32 10.845 2.768 0.807 1.00 0.00 C ATOM 532 OE1 GLN A 32 10.375 1.640 0.957 1.00 0.00 O ATOM 533 NE2 GLN A 32 11.923 2.996 0.085 1.00 0.00 N ATOM 0 H GLN A 32 6.298 4.581 0.942 1.00 0.00 H new ATOM 0 HA GLN A 32 8.171 4.983 3.156 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.388 2.943 1.931 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.319 3.774 0.390 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.473 4.867 0.854 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.536 4.111 2.434 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.279 3.947 -0.013 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.401 2.222 -0.376 1.00 0.00 H new ATOM 542 N GLU A 33 8.986 7.197 2.459 1.00 0.00 N ATOM 543 CA GLU A 33 9.440 8.529 2.105 1.00 0.00 C ATOM 544 C GLU A 33 10.852 8.489 1.529 1.00 0.00 C ATOM 545 O GLU A 33 11.717 7.771 2.033 1.00 0.00 O ATOM 546 CB GLU A 33 9.386 9.428 3.337 1.00 0.00 C ATOM 547 CG GLU A 33 8.002 9.500 3.962 1.00 0.00 C ATOM 548 CD GLU A 33 7.989 10.266 5.265 1.00 0.00 C ATOM 549 OE1 GLU A 33 7.911 11.511 5.227 1.00 0.00 O ATOM 550 OE2 GLU A 33 8.056 9.628 6.336 1.00 0.00 O ATOM 0 H GLU A 33 9.055 6.980 3.453 1.00 0.00 H new ATOM 0 HA GLU A 33 8.781 8.934 1.337 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.095 9.060 4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.706 10.433 3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.315 9.973 3.260 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.633 8.489 4.136 1.00 0.00 H new ATOM 557 N ALA A 34 11.079 9.277 0.482 1.00 0.00 N ATOM 558 CA ALA A 34 12.375 9.318 -0.194 1.00 0.00 C ATOM 559 C ALA A 34 13.405 10.092 0.620 1.00 0.00 C ATOM 560 O ALA A 34 14.574 10.173 0.246 1.00 0.00 O ATOM 561 CB ALA A 34 12.234 9.939 -1.576 1.00 0.00 C ATOM 0 H ALA A 34 10.378 9.900 0.080 1.00 0.00 H new ATOM 0 HA ALA A 34 12.726 8.291 -0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.208 9.962 -2.066 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.542 9.345 -2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.852 10.955 -1.481 1.00 0.00 H new ATOM 567 N ASP A 35 12.962 10.666 1.723 1.00 0.00 N ATOM 568 CA ASP A 35 13.844 11.434 2.591 1.00 0.00 C ATOM 569 C ASP A 35 13.634 11.053 4.052 1.00 0.00 C ATOM 570 O ASP A 35 14.466 11.346 4.910 1.00 0.00 O ATOM 571 CB ASP A 35 13.595 12.933 2.387 1.00 0.00 C ATOM 572 CG ASP A 35 14.433 13.809 3.298 1.00 0.00 C ATOM 573 OD1 ASP A 35 15.612 14.060 2.971 1.00 0.00 O ATOM 574 OD2 ASP A 35 13.906 14.276 4.331 1.00 0.00 O ATOM 0 H ASP A 35 11.995 10.616 2.042 1.00 0.00 H new ATOM 0 HA ASP A 35 14.877 11.205 2.329 1.00 0.00 H new ATOM 0 HB2 ASP A 35 13.807 13.192 1.350 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.540 13.146 2.559 1.00 0.00 H new ATOM 579 N GLY A 36 12.526 10.376 4.323 1.00 0.00 N ATOM 580 CA GLY A 36 12.182 10.028 5.686 1.00 0.00 C ATOM 581 C GLY A 36 13.005 8.874 6.224 1.00 0.00 C ATOM 582 O GLY A 36 14.055 9.080 6.829 1.00 0.00 O ATOM 0 H GLY A 36 11.858 10.061 3.620 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.325 10.899 6.325 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.125 9.767 5.734 1.00 0.00 H new ATOM 586 N ASP A 37 12.536 7.655 5.996 1.00 0.00 N ATOM 587 CA ASP A 37 13.211 6.470 6.518 1.00 0.00 C ATOM 588 C ASP A 37 14.122 5.847 5.477 1.00 0.00 C ATOM 589 O ASP A 37 14.748 4.818 5.727 1.00 0.00 O ATOM 590 CB ASP A 37 12.199 5.419 6.974 1.00 0.00 C ATOM 591 CG ASP A 37 11.398 5.854 8.177 1.00 0.00 C ATOM 592 OD1 ASP A 37 11.852 5.613 9.315 1.00 0.00 O ATOM 593 OD2 ASP A 37 10.304 6.420 7.990 1.00 0.00 O ATOM 0 H ASP A 37 11.694 7.459 5.455 1.00 0.00 H new ATOM 0 HA ASP A 37 13.809 6.797 7.369 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.518 5.197 6.152 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.725 4.494 7.210 1.00 0.00 H new ATOM 598 N CYS A 38 14.204 6.472 4.316 1.00 0.00 N ATOM 599 CA CYS A 38 14.964 5.912 3.213 1.00 0.00 C ATOM 600 C CYS A 38 15.323 7.014 2.222 1.00 0.00 C ATOM 601 O CYS A 38 14.949 8.165 2.422 1.00 0.00 O ATOM 602 CB CYS A 38 14.129 4.832 2.524 1.00 0.00 C ATOM 603 SG CYS A 38 15.097 3.605 1.585 1.00 0.00 S ATOM 0 H CYS A 38 13.755 7.365 4.113 1.00 0.00 H new ATOM 0 HA CYS A 38 15.885 5.468 3.589 1.00 0.00 H new ATOM 0 HB2 CYS A 38 13.541 4.310 3.279 1.00 0.00 H new ATOM 0 HB3 CYS A 38 13.424 5.314 1.847 1.00 0.00 H new ATOM 608 N HIS A 39 16.044 6.659 1.162 1.00 0.00 N ATOM 609 CA HIS A 39 16.392 7.621 0.113 1.00 0.00 C ATOM 610 C HIS A 39 15.594 7.335 -1.156 1.00 0.00 C ATOM 611 O HIS A 39 15.894 7.862 -2.228 1.00 0.00 O ATOM 612 CB HIS A 39 17.904 7.596 -0.193 1.00 0.00 C ATOM 613 CG HIS A 39 18.416 6.300 -0.765 1.00 0.00 C ATOM 614 ND1 HIS A 39 19.172 5.410 -0.039 1.00 0.00 N ATOM 615 CD2 HIS A 39 18.296 5.761 -2.004 1.00 0.00 C ATOM 616 CE1 HIS A 39 19.492 4.380 -0.799 1.00 0.00 C ATOM 617 NE2 HIS A 39 18.971 4.570 -1.996 1.00 0.00 N ATOM 0 H HIS A 39 16.399 5.716 1.004 1.00 0.00 H new ATOM 0 HA HIS A 39 16.138 8.617 0.476 1.00 0.00 H new ATOM 0 HB2 HIS A 39 18.131 8.400 -0.893 1.00 0.00 H new ATOM 0 HB3 HIS A 39 18.449 7.811 0.726 1.00 0.00 H new ATOM 0 HD2 HIS A 39 17.766 6.191 -2.841 1.00 0.00 H new ATOM 0 HE1 HIS A 39 20.080 3.527 -0.493 1.00 0.00 H new ATOM 0 HE2 HIS A 39 19.057 3.933 -2.788 1.00 0.00 H new ATOM 626 N LEU A 40 14.577 6.501 -1.022 1.00 0.00 N ATOM 627 CA LEU A 40 13.778 6.073 -2.159 1.00 0.00 C ATOM 628 C LEU A 40 12.302 6.124 -1.782 1.00 0.00 C ATOM 629 O LEU A 40 11.919 5.648 -0.717 1.00 0.00 O ATOM 630 CB LEU A 40 14.209 4.650 -2.571 1.00 0.00 C ATOM 631 CG LEU A 40 13.696 4.132 -3.924 1.00 0.00 C ATOM 632 CD1 LEU A 40 12.275 3.604 -3.810 1.00 0.00 C ATOM 633 CD2 LEU A 40 13.777 5.224 -4.982 1.00 0.00 C ATOM 0 H LEU A 40 14.283 6.104 -0.130 1.00 0.00 H new ATOM 0 HA LEU A 40 13.934 6.736 -3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 40 15.298 4.617 -2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.880 3.958 -1.796 1.00 0.00 H new ATOM 0 HG LEU A 40 14.337 3.305 -4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.941 3.245 -4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.248 2.784 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.616 4.404 -3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 40 13.409 4.838 -5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.167 6.074 -4.675 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.813 5.544 -5.096 1.00 0.00 H new ATOM 645 N GLN A 41 11.490 6.733 -2.639 1.00 0.00 N ATOM 646 CA GLN A 41 10.057 6.844 -2.391 1.00 0.00 C ATOM 647 C GLN A 41 9.339 5.606 -2.908 1.00 0.00 C ATOM 648 O GLN A 41 9.480 5.243 -4.075 1.00 0.00 O ATOM 649 CB GLN A 41 9.482 8.095 -3.062 1.00 0.00 C ATOM 650 CG GLN A 41 7.997 8.295 -2.802 1.00 0.00 C ATOM 651 CD GLN A 41 7.442 9.514 -3.507 1.00 0.00 C ATOM 652 OE1 GLN A 41 6.992 9.434 -4.649 1.00 0.00 O ATOM 653 NE2 GLN A 41 7.474 10.654 -2.834 1.00 0.00 N ATOM 0 H GLN A 41 11.800 7.158 -3.513 1.00 0.00 H new ATOM 0 HA GLN A 41 9.904 6.927 -1.315 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.026 8.970 -2.707 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.649 8.030 -4.137 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.452 7.410 -3.131 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.830 8.392 -1.729 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.856 10.677 -1.888 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.117 11.509 -3.261 1.00 0.00 H new ATOM 662 N ALA A 42 8.570 4.970 -2.044 1.00 0.00 N ATOM 663 CA ALA A 42 7.866 3.753 -2.409 1.00 0.00 C ATOM 664 C ALA A 42 6.501 3.694 -1.748 1.00 0.00 C ATOM 665 O ALA A 42 6.232 4.404 -0.781 1.00 0.00 O ATOM 666 CB ALA A 42 8.684 2.527 -2.027 1.00 0.00 C ATOM 0 H ALA A 42 8.416 5.276 -1.083 1.00 0.00 H new ATOM 0 HA ALA A 42 7.725 3.760 -3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.141 1.625 -2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.641 2.551 -2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.857 2.526 -0.951 1.00 0.00 H new ATOM 672 N PHE A 43 5.645 2.850 -2.279 1.00 0.00 N ATOM 673 CA PHE A 43 4.356 2.591 -1.675 1.00 0.00 C ATOM 674 C PHE A 43 4.277 1.129 -1.290 1.00 0.00 C ATOM 675 O PHE A 43 4.145 0.258 -2.145 1.00 0.00 O ATOM 676 CB PHE A 43 3.223 2.951 -2.631 1.00 0.00 C ATOM 677 CG PHE A 43 2.961 4.424 -2.742 1.00 0.00 C ATOM 678 CD1 PHE A 43 2.059 5.039 -1.888 1.00 0.00 C ATOM 679 CD2 PHE A 43 3.602 5.191 -3.699 1.00 0.00 C ATOM 680 CE1 PHE A 43 1.800 6.391 -1.988 1.00 0.00 C ATOM 681 CE2 PHE A 43 3.348 6.545 -3.804 1.00 0.00 C ATOM 682 CZ PHE A 43 2.447 7.146 -2.947 1.00 0.00 C ATOM 0 H PHE A 43 5.820 2.326 -3.137 1.00 0.00 H new ATOM 0 HA PHE A 43 4.248 3.211 -0.785 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.458 2.559 -3.620 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.311 2.454 -2.300 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.553 4.453 -1.135 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.308 4.726 -4.371 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.093 6.858 -1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.854 7.133 -4.556 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.249 8.205 -3.026 1.00 0.00 H new ATOM 692 N VAL A 44 4.376 0.855 -0.009 1.00 0.00 N ATOM 693 CA VAL A 44 4.474 -0.514 0.449 1.00 0.00 C ATOM 694 C VAL A 44 3.144 -0.989 1.011 1.00 0.00 C ATOM 695 O VAL A 44 2.522 -0.319 1.838 1.00 0.00 O ATOM 696 CB VAL A 44 5.594 -0.668 1.496 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.811 -2.131 1.863 1.00 0.00 C ATOM 698 CG2 VAL A 44 6.879 -0.045 0.971 1.00 0.00 C ATOM 0 H VAL A 44 4.391 1.557 0.731 1.00 0.00 H new ATOM 0 HA VAL A 44 4.727 -1.138 -0.408 1.00 0.00 H new ATOM 0 HB VAL A 44 5.293 -0.146 2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.607 -2.206 2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.891 -2.543 2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.091 -2.692 0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.668 -0.156 1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.176 -0.546 0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.715 1.014 0.772 1.00 0.00 H new ATOM 708 N LEU A 45 2.704 -2.140 0.535 1.00 0.00 N ATOM 709 CA LEU A 45 1.444 -2.708 0.967 1.00 0.00 C ATOM 710 C LEU A 45 1.694 -3.814 1.972 1.00 0.00 C ATOM 711 O LEU A 45 2.384 -4.798 1.686 1.00 0.00 O ATOM 712 CB LEU A 45 0.644 -3.210 -0.235 1.00 0.00 C ATOM 713 CG LEU A 45 0.249 -2.110 -1.222 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.617 -2.666 -2.337 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.470 -0.983 -0.495 1.00 0.00 C ATOM 0 H LEU A 45 3.205 -2.701 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 45 0.850 -1.935 1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.232 -3.962 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.259 -3.704 0.123 1.00 0.00 H new ATOM 0 HG LEU A 45 1.158 -1.711 -1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.884 -1.864 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.066 -3.437 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.524 -3.097 -1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.745 -0.207 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.369 -1.373 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.189 -0.561 0.264 1.00 0.00 H new ATOM 727 N HIS A 46 1.133 -3.641 3.151 1.00 0.00 N ATOM 728 CA HIS A 46 1.442 -4.507 4.277 1.00 0.00 C ATOM 729 C HIS A 46 0.268 -5.415 4.614 1.00 0.00 C ATOM 730 O HIS A 46 -0.768 -4.963 5.104 1.00 0.00 O ATOM 731 CB HIS A 46 1.840 -3.657 5.486 1.00 0.00 C ATOM 732 CG HIS A 46 2.277 -4.442 6.686 1.00 0.00 C ATOM 733 ND1 HIS A 46 3.272 -5.389 6.650 1.00 0.00 N ATOM 734 CD2 HIS A 46 1.855 -4.394 7.970 1.00 0.00 C ATOM 735 CE1 HIS A 46 3.443 -5.891 7.858 1.00 0.00 C ATOM 736 NE2 HIS A 46 2.600 -5.303 8.683 1.00 0.00 N ATOM 0 H HIS A 46 0.457 -2.906 3.358 1.00 0.00 H new ATOM 0 HA HIS A 46 2.280 -5.149 4.003 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.649 -2.988 5.192 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.994 -3.030 5.767 1.00 0.00 H new ATOM 0 HD1 HIS A 46 3.797 -5.661 5.819 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.076 -3.758 8.363 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.156 -6.657 8.126 1.00 0.00 H new ATOM 745 N LEU A 47 0.443 -6.694 4.340 1.00 0.00 N ATOM 746 CA LEU A 47 -0.559 -7.695 4.648 1.00 0.00 C ATOM 747 C LEU A 47 -0.255 -8.305 6.009 1.00 0.00 C ATOM 748 O LEU A 47 0.848 -8.149 6.531 1.00 0.00 O ATOM 749 CB LEU A 47 -0.583 -8.803 3.587 1.00 0.00 C ATOM 750 CG LEU A 47 -0.868 -8.361 2.147 1.00 0.00 C ATOM 751 CD1 LEU A 47 0.372 -7.758 1.496 1.00 0.00 C ATOM 752 CD2 LEU A 47 -1.383 -9.536 1.330 1.00 0.00 C ATOM 0 H LEU A 47 1.283 -7.067 3.898 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.536 -7.212 4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.380 -9.313 3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.337 -9.536 3.875 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.636 -7.588 2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.136 -7.455 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.696 -6.888 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.171 -8.499 1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.582 -9.210 0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.634 -10.328 1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.303 -9.914 1.776 1.00 0.00 H new ATOM 764 N ALA A 48 -1.209 -9.032 6.560 1.00 0.00 N ATOM 765 CA ALA A 48 -1.055 -9.600 7.894 1.00 0.00 C ATOM 766 C ALA A 48 -0.160 -10.835 7.858 1.00 0.00 C ATOM 767 O ALA A 48 0.174 -11.410 8.893 1.00 0.00 O ATOM 768 CB ALA A 48 -2.414 -9.945 8.477 1.00 0.00 C ATOM 0 H ALA A 48 -2.099 -9.245 6.109 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.579 -8.856 8.532 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.286 -10.368 9.473 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.022 -9.043 8.542 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.911 -10.672 7.835 1.00 0.00 H new ATOM 774 N GLN A 49 0.224 -11.237 6.656 1.00 0.00 N ATOM 775 CA GLN A 49 1.033 -12.431 6.479 1.00 0.00 C ATOM 776 C GLN A 49 2.341 -12.101 5.764 1.00 0.00 C ATOM 777 O GLN A 49 3.252 -12.931 5.712 1.00 0.00 O ATOM 778 CB GLN A 49 0.272 -13.497 5.669 1.00 0.00 C ATOM 779 CG GLN A 49 -1.251 -13.359 5.686 1.00 0.00 C ATOM 780 CD GLN A 49 -1.749 -12.277 4.742 1.00 0.00 C ATOM 781 OE1 GLN A 49 -1.122 -11.997 3.722 1.00 0.00 O ATOM 782 NE2 GLN A 49 -2.877 -11.666 5.068 1.00 0.00 N ATOM 0 H GLN A 49 -0.012 -10.753 5.789 1.00 0.00 H new ATOM 0 HA GLN A 49 1.254 -12.824 7.471 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.613 -13.457 4.635 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.537 -14.482 6.055 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.702 -14.312 5.411 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.581 -13.132 6.700 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.369 -11.926 5.923 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.254 -10.935 4.464 1.00 0.00 H new ATOM 791 N ARG A 50 2.443 -10.886 5.223 1.00 0.00 N ATOM 792 CA ARG A 50 3.558 -10.540 4.342 1.00 0.00 C ATOM 793 C ARG A 50 3.505 -9.066 3.950 1.00 0.00 C ATOM 794 O ARG A 50 2.582 -8.353 4.331 1.00 0.00 O ATOM 795 CB ARG A 50 3.495 -11.407 3.082 1.00 0.00 C ATOM 796 CG ARG A 50 2.228 -11.189 2.270 1.00 0.00 C ATOM 797 CD ARG A 50 1.956 -12.344 1.329 1.00 0.00 C ATOM 798 NE ARG A 50 3.052 -12.562 0.382 1.00 0.00 N ATOM 799 CZ ARG A 50 3.335 -13.740 -0.172 1.00 0.00 C ATOM 800 NH1 ARG A 50 2.636 -14.819 0.153 1.00 0.00 N ATOM 801 NH2 ARG A 50 4.334 -13.837 -1.040 1.00 0.00 N ATOM 0 H ARG A 50 1.774 -10.132 5.378 1.00 0.00 H new ATOM 0 HA ARG A 50 4.492 -10.721 4.874 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.362 -11.192 2.457 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.560 -12.457 3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.381 -11.063 2.945 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.318 -10.267 1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.795 -13.252 1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.036 -12.151 0.778 1.00 0.00 H new ATOM 0 HE ARG A 50 3.634 -11.763 0.131 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.877 -14.750 0.831 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.858 -15.718 -0.275 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.882 -13.011 -1.281 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.554 -14.737 -1.466 1.00 0.00 H new ATOM 815 N SER A 51 4.489 -8.620 3.184 1.00 0.00 N ATOM 816 CA SER A 51 4.523 -7.247 2.696 1.00 0.00 C ATOM 817 C SER A 51 5.011 -7.220 1.253 1.00 0.00 C ATOM 818 O SER A 51 5.956 -7.923 0.897 1.00 0.00 O ATOM 819 CB SER A 51 5.441 -6.388 3.576 1.00 0.00 C ATOM 820 OG SER A 51 5.088 -6.491 4.948 1.00 0.00 O ATOM 0 H SER A 51 5.279 -9.191 2.885 1.00 0.00 H new ATOM 0 HA SER A 51 3.514 -6.836 2.740 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.476 -6.702 3.440 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.380 -5.347 3.260 1.00 0.00 H new ATOM 0 HG SER A 51 5.615 -5.851 5.470 1.00 0.00 H new ATOM 826 N ILE A 52 4.354 -6.419 0.430 1.00 0.00 N ATOM 827 CA ILE A 52 4.724 -6.291 -0.970 1.00 0.00 C ATOM 828 C ILE A 52 5.165 -4.861 -1.249 1.00 0.00 C ATOM 829 O ILE A 52 4.555 -3.912 -0.756 1.00 0.00 O ATOM 830 CB ILE A 52 3.551 -6.678 -1.900 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.080 -8.102 -1.584 1.00 0.00 C ATOM 832 CG2 ILE A 52 3.963 -6.560 -3.364 1.00 0.00 C ATOM 833 CD1 ILE A 52 1.882 -8.548 -2.395 1.00 0.00 C ATOM 0 H ILE A 52 3.558 -5.845 0.709 1.00 0.00 H new ATOM 0 HA ILE A 52 5.548 -6.975 -1.173 1.00 0.00 H new ATOM 0 HB ILE A 52 2.724 -5.989 -1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.904 -8.794 -1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.833 -8.165 -0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.123 -6.837 -4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.258 -5.532 -3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.803 -7.226 -3.560 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.610 -9.565 -2.113 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.042 -7.881 -2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.130 -8.519 -3.456 1.00 0.00 H new ATOM 845 N CYS A 53 6.220 -4.706 -2.032 1.00 0.00 N ATOM 846 CA CYS A 53 6.794 -3.391 -2.266 1.00 0.00 C ATOM 847 C CYS A 53 6.377 -2.865 -3.634 1.00 0.00 C ATOM 848 O CYS A 53 6.663 -3.477 -4.663 1.00 0.00 O ATOM 849 CB CYS A 53 8.318 -3.475 -2.174 1.00 0.00 C ATOM 850 SG CYS A 53 9.160 -1.865 -2.200 1.00 0.00 S ATOM 0 H CYS A 53 6.694 -5.470 -2.514 1.00 0.00 H new ATOM 0 HA CYS A 53 6.426 -2.701 -1.506 1.00 0.00 H new ATOM 0 HB2 CYS A 53 8.586 -3.997 -1.256 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.687 -4.078 -3.003 1.00 0.00 H new ATOM 855 N ILE A 54 5.708 -1.723 -3.642 1.00 0.00 N ATOM 856 CA ILE A 54 5.189 -1.152 -4.872 1.00 0.00 C ATOM 857 C ILE A 54 5.868 0.178 -5.202 1.00 0.00 C ATOM 858 O ILE A 54 6.203 0.967 -4.318 1.00 0.00 O ATOM 859 CB ILE A 54 3.649 -0.986 -4.794 1.00 0.00 C ATOM 860 CG1 ILE A 54 2.958 -2.221 -5.387 1.00 0.00 C ATOM 861 CG2 ILE A 54 3.176 0.290 -5.480 1.00 0.00 C ATOM 862 CD1 ILE A 54 1.446 -2.126 -5.414 1.00 0.00 C ATOM 0 H ILE A 54 5.512 -1.172 -2.806 1.00 0.00 H new ATOM 0 HA ILE A 54 5.417 -1.845 -5.682 1.00 0.00 H new ATOM 0 HB ILE A 54 3.374 -0.898 -3.743 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.321 -2.375 -6.403 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.247 -3.099 -4.809 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.091 0.365 -5.401 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.636 1.153 -4.999 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.462 0.265 -6.531 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.032 -3.037 -5.847 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.071 -2.004 -4.398 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.146 -1.269 -6.017 1.00 0.00 H new ATOM 874 N HIS A 55 6.079 0.394 -6.490 1.00 0.00 N ATOM 875 CA HIS A 55 6.698 1.609 -6.993 1.00 0.00 C ATOM 876 C HIS A 55 5.648 2.712 -7.132 1.00 0.00 C ATOM 877 O HIS A 55 4.517 2.444 -7.529 1.00 0.00 O ATOM 878 CB HIS A 55 7.354 1.295 -8.348 1.00 0.00 C ATOM 879 CG HIS A 55 7.907 2.479 -9.083 1.00 0.00 C ATOM 880 ND1 HIS A 55 7.272 3.049 -10.160 1.00 0.00 N ATOM 881 CD2 HIS A 55 9.044 3.189 -8.903 1.00 0.00 C ATOM 882 CE1 HIS A 55 7.986 4.064 -10.607 1.00 0.00 C ATOM 883 NE2 HIS A 55 9.071 4.170 -9.863 1.00 0.00 N ATOM 0 H HIS A 55 5.824 -0.272 -7.219 1.00 0.00 H new ATOM 0 HA HIS A 55 7.460 1.963 -6.298 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.161 0.580 -8.185 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.617 0.805 -8.985 1.00 0.00 H new ATOM 0 HD1 HIS A 55 6.385 2.735 -10.553 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.793 3.016 -8.144 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.727 4.700 -11.440 1.00 0.00 H new ATOM 892 N PRO A 56 5.990 3.959 -6.776 1.00 0.00 N ATOM 893 CA PRO A 56 5.084 5.100 -6.952 1.00 0.00 C ATOM 894 C PRO A 56 4.722 5.304 -8.420 1.00 0.00 C ATOM 895 O PRO A 56 5.488 4.934 -9.303 1.00 0.00 O ATOM 896 CB PRO A 56 5.888 6.293 -6.425 1.00 0.00 C ATOM 897 CG PRO A 56 7.305 5.840 -6.428 1.00 0.00 C ATOM 898 CD PRO A 56 7.264 4.363 -6.167 1.00 0.00 C ATOM 0 HA PRO A 56 4.137 4.959 -6.431 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.753 7.169 -7.059 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.566 6.573 -5.422 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.782 6.055 -7.384 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.882 6.357 -5.661 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.111 3.848 -6.622 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.291 4.140 -5.100 1.00 0.00 H new ATOM 906 N GLN A 57 3.552 5.886 -8.670 1.00 0.00 N ATOM 907 CA GLN A 57 3.041 6.086 -10.032 1.00 0.00 C ATOM 908 C GLN A 57 2.613 4.761 -10.675 1.00 0.00 C ATOM 909 O GLN A 57 2.314 4.707 -11.869 1.00 0.00 O ATOM 910 CB GLN A 57 4.063 6.811 -10.918 1.00 0.00 C ATOM 911 CG GLN A 57 4.255 8.277 -10.558 1.00 0.00 C ATOM 912 CD GLN A 57 5.274 8.966 -11.445 1.00 0.00 C ATOM 913 OE1 GLN A 57 5.479 8.577 -12.595 1.00 0.00 O ATOM 914 NE2 GLN A 57 5.917 9.998 -10.924 1.00 0.00 N ATOM 0 H GLN A 57 2.930 6.233 -7.940 1.00 0.00 H new ATOM 0 HA GLN A 57 2.158 6.720 -9.949 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.023 6.299 -10.844 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.744 6.740 -11.958 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.299 8.795 -10.638 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.573 8.353 -9.518 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.720 10.291 -9.967 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.610 10.501 -11.479 1.00 0.00 H new ATOM 923 N ASN A 58 2.580 3.697 -9.878 1.00 0.00 N ATOM 924 CA ASN A 58 2.035 2.419 -10.325 1.00 0.00 C ATOM 925 C ASN A 58 0.539 2.377 -10.069 1.00 0.00 C ATOM 926 O ASN A 58 0.088 2.605 -8.943 1.00 0.00 O ATOM 927 CB ASN A 58 2.725 1.247 -9.621 1.00 0.00 C ATOM 928 CG ASN A 58 3.937 0.745 -10.383 1.00 0.00 C ATOM 929 OD1 ASN A 58 5.023 1.310 -10.290 1.00 0.00 O ATOM 930 ND2 ASN A 58 3.764 -0.343 -11.117 1.00 0.00 N ATOM 0 H ASN A 58 2.925 3.695 -8.918 1.00 0.00 H new ATOM 0 HA ASN A 58 2.220 2.324 -11.395 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.031 1.556 -8.622 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.013 0.431 -9.498 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.550 -0.741 -11.631 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.845 -0.783 -11.168 1.00 0.00 H new ATOM 937 N PRO A 59 -0.248 2.086 -11.115 1.00 0.00 N ATOM 938 CA PRO A 59 -1.715 2.082 -11.044 1.00 0.00 C ATOM 939 C PRO A 59 -2.250 1.226 -9.899 1.00 0.00 C ATOM 940 O PRO A 59 -3.242 1.579 -9.266 1.00 0.00 O ATOM 941 CB PRO A 59 -2.135 1.491 -12.391 1.00 0.00 C ATOM 942 CG PRO A 59 -1.005 1.801 -13.309 1.00 0.00 C ATOM 943 CD PRO A 59 0.236 1.744 -12.466 1.00 0.00 C ATOM 0 HA PRO A 59 -2.110 3.080 -10.855 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.302 0.416 -12.317 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.066 1.934 -12.745 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.956 1.081 -14.126 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.126 2.786 -13.760 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.692 0.754 -12.490 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.990 2.451 -12.813 1.00 0.00 H new ATOM 951 N SER A 60 -1.563 0.120 -9.619 1.00 0.00 N ATOM 952 CA SER A 60 -2.003 -0.833 -8.605 1.00 0.00 C ATOM 953 C SER A 60 -2.137 -0.185 -7.228 1.00 0.00 C ATOM 954 O SER A 60 -2.952 -0.619 -6.418 1.00 0.00 O ATOM 955 CB SER A 60 -1.040 -2.024 -8.541 1.00 0.00 C ATOM 956 OG SER A 60 -1.500 -3.015 -7.637 1.00 0.00 O ATOM 0 H SER A 60 -0.693 -0.138 -10.085 1.00 0.00 H new ATOM 0 HA SER A 60 -2.992 -1.186 -8.897 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.931 -2.459 -9.535 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.053 -1.679 -8.233 1.00 0.00 H new ATOM 0 HG SER A 60 -0.775 -3.263 -7.026 1.00 0.00 H new ATOM 962 N LEU A 61 -1.348 0.848 -6.962 1.00 0.00 N ATOM 963 CA LEU A 61 -1.412 1.523 -5.674 1.00 0.00 C ATOM 964 C LEU A 61 -2.586 2.502 -5.651 1.00 0.00 C ATOM 965 O LEU A 61 -3.375 2.517 -4.707 1.00 0.00 O ATOM 966 CB LEU A 61 -0.089 2.246 -5.386 1.00 0.00 C ATOM 967 CG LEU A 61 0.250 2.442 -3.902 1.00 0.00 C ATOM 968 CD1 LEU A 61 -0.739 3.370 -3.223 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.292 1.106 -3.182 1.00 0.00 C ATOM 0 H LEU A 61 -0.664 1.233 -7.613 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.570 0.780 -4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.720 1.685 -5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.118 3.224 -5.866 1.00 0.00 H new ATOM 0 HG LEU A 61 1.236 2.904 -3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.468 3.486 -2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.719 4.344 -3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.742 2.948 -3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.534 1.266 -2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.680 0.620 -3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.053 0.471 -3.637 1.00 0.00 H new ATOM 981 N SER A 62 -2.709 3.300 -6.703 1.00 0.00 N ATOM 982 CA SER A 62 -3.776 4.290 -6.790 1.00 0.00 C ATOM 983 C SER A 62 -5.140 3.600 -6.803 1.00 0.00 C ATOM 984 O SER A 62 -6.057 3.985 -6.070 1.00 0.00 O ATOM 985 CB SER A 62 -3.596 5.153 -8.042 1.00 0.00 C ATOM 986 OG SER A 62 -4.566 6.183 -8.106 1.00 0.00 O ATOM 0 H SER A 62 -2.084 3.282 -7.509 1.00 0.00 H new ATOM 0 HA SER A 62 -3.727 4.937 -5.914 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.598 5.591 -8.043 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.670 4.526 -8.931 1.00 0.00 H new ATOM 0 HG SER A 62 -4.507 6.634 -8.974 1.00 0.00 H new ATOM 992 N GLN A 63 -5.259 2.552 -7.615 1.00 0.00 N ATOM 993 CA GLN A 63 -6.491 1.782 -7.681 1.00 0.00 C ATOM 994 C GLN A 63 -6.757 1.098 -6.345 1.00 0.00 C ATOM 995 O GLN A 63 -7.906 0.823 -5.994 1.00 0.00 O ATOM 996 CB GLN A 63 -6.452 0.759 -8.818 1.00 0.00 C ATOM 997 CG GLN A 63 -5.484 -0.386 -8.597 1.00 0.00 C ATOM 998 CD GLN A 63 -5.423 -1.316 -9.788 1.00 0.00 C ATOM 999 OE1 GLN A 63 -4.602 -1.141 -10.688 1.00 0.00 O ATOM 1000 NE2 GLN A 63 -6.297 -2.305 -9.807 1.00 0.00 N ATOM 0 H GLN A 63 -4.518 2.220 -8.233 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.309 2.471 -7.890 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.453 0.351 -8.958 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.185 1.271 -9.742 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.490 0.014 -8.398 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.784 -0.949 -7.713 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.961 -2.414 -9.040 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.309 -2.960 -10.589 1.00 0.00 H new ATOM 1009 N TRP A 64 -5.689 0.820 -5.598 1.00 0.00 N ATOM 1010 CA TRP A 64 -5.827 0.217 -4.284 1.00 0.00 C ATOM 1011 C TRP A 64 -6.400 1.216 -3.292 1.00 0.00 C ATOM 1012 O TRP A 64 -7.156 0.835 -2.413 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.493 -0.361 -3.776 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.606 -1.010 -2.424 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -3.747 -0.871 -1.366 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.651 -1.889 -1.975 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.197 -1.602 -0.296 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.360 -2.229 -0.643 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.807 -2.418 -2.565 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -6.178 -3.064 0.102 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -7.615 -3.248 -1.820 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -7.300 -3.561 -0.501 1.00 0.00 C ATOM 0 H TRP A 64 -4.727 1.003 -5.883 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.525 -0.615 -4.377 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.125 -1.094 -4.494 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.753 0.438 -3.728 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -2.847 -0.273 -1.373 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.737 -1.667 0.612 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.060 -2.179 -3.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.937 -3.314 1.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -8.507 -3.662 -2.266 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -7.956 -4.211 0.059 1.00 0.00 H new ATOM 1033 N PHE A 65 -6.078 2.491 -3.441 1.00 0.00 N ATOM 1034 CA PHE A 65 -6.690 3.508 -2.592 1.00 0.00 C ATOM 1035 C PHE A 65 -8.203 3.511 -2.774 1.00 0.00 C ATOM 1036 O PHE A 65 -8.952 3.699 -1.817 1.00 0.00 O ATOM 1037 CB PHE A 65 -6.114 4.900 -2.873 1.00 0.00 C ATOM 1038 CG PHE A 65 -4.817 5.171 -2.165 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -4.671 4.862 -0.822 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -3.754 5.741 -2.838 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -3.484 5.119 -0.163 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -2.565 6.004 -2.184 1.00 0.00 C ATOM 1043 CZ PHE A 65 -2.430 5.693 -0.845 1.00 0.00 C ATOM 0 H PHE A 65 -5.410 2.845 -4.126 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.459 3.258 -1.557 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.962 5.011 -3.947 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.844 5.653 -2.576 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.494 4.415 -0.284 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.853 5.984 -3.886 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.381 4.871 0.883 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.742 6.453 -2.720 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.502 5.898 -0.333 1.00 0.00 H new ATOM 1053 N GLU A 66 -8.649 3.273 -4.002 1.00 0.00 N ATOM 1054 CA GLU A 66 -10.075 3.163 -4.279 1.00 0.00 C ATOM 1055 C GLU A 66 -10.642 1.845 -3.755 1.00 0.00 C ATOM 1056 O GLU A 66 -11.724 1.811 -3.162 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.341 3.277 -5.777 1.00 0.00 C ATOM 1058 CG GLU A 66 -10.147 4.679 -6.324 1.00 0.00 C ATOM 1059 CD GLU A 66 -11.066 5.688 -5.663 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -12.180 5.303 -5.241 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -10.676 6.867 -5.547 1.00 0.00 O ATOM 0 H GLU A 66 -8.047 3.153 -4.817 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.574 3.983 -3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.678 2.594 -6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.362 2.954 -5.982 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.111 4.984 -6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.328 4.675 -7.399 1.00 0.00 H new ATOM 1068 N HIS A 67 -9.915 0.754 -3.976 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.385 -0.564 -3.562 1.00 0.00 C ATOM 1070 C HIS A 67 -10.344 -0.717 -2.045 1.00 0.00 C ATOM 1071 O HIS A 67 -11.235 -1.319 -1.467 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.584 -1.681 -4.243 1.00 0.00 C ATOM 1073 CG HIS A 67 -9.976 -1.922 -5.673 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -10.106 -3.178 -6.225 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -10.271 -1.051 -6.666 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -10.463 -3.067 -7.490 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -10.574 -1.784 -7.784 1.00 0.00 N ATOM 0 H HIS A 67 -9.005 0.755 -4.436 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.424 -0.653 -3.880 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.524 -1.431 -4.204 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.715 -2.605 -3.679 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.950 -4.057 -5.732 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -10.268 0.026 -6.591 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -10.636 -3.887 -8.171 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.318 -0.157 -1.411 1.00 0.00 N ATOM 1087 CA GLN A 68 -9.204 -0.152 0.049 1.00 0.00 C ATOM 1088 C GLN A 68 -10.394 0.570 0.659 1.00 0.00 C ATOM 1089 O GLN A 68 -10.966 0.125 1.655 1.00 0.00 O ATOM 1090 CB GLN A 68 -7.881 0.515 0.468 1.00 0.00 C ATOM 1091 CG GLN A 68 -7.715 0.746 1.965 1.00 0.00 C ATOM 1092 CD GLN A 68 -8.115 2.146 2.398 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -9.262 2.399 2.762 1.00 0.00 O ATOM 1094 NE2 GLN A 68 -7.170 3.076 2.345 1.00 0.00 N ATOM 0 H GLN A 68 -8.544 0.305 -1.889 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.202 -1.178 0.416 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.054 -0.104 0.118 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.799 1.475 -0.043 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.317 0.018 2.508 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.675 0.569 2.241 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.229 2.830 2.038 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.385 4.037 2.611 1.00 0.00 H new ATOM 1103 N GLU A 69 -10.771 1.673 0.025 1.00 0.00 N ATOM 1104 CA GLU A 69 -11.936 2.454 0.434 1.00 0.00 C ATOM 1105 C GLU A 69 -13.178 1.565 0.518 1.00 0.00 C ATOM 1106 O GLU A 69 -14.026 1.738 1.393 1.00 0.00 O ATOM 1107 CB GLU A 69 -12.157 3.594 -0.569 1.00 0.00 C ATOM 1108 CG GLU A 69 -13.492 4.315 -0.441 1.00 0.00 C ATOM 1109 CD GLU A 69 -13.537 5.302 0.708 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -13.681 4.874 1.866 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -13.438 6.522 0.452 1.00 0.00 O ATOM 0 H GLU A 69 -10.281 2.052 -0.785 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.757 2.874 1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.355 4.323 -0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.074 3.191 -1.578 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.702 4.843 -1.371 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.283 3.577 -0.307 1.00 0.00 H new ATOM 1118 N ARG A 70 -13.256 0.594 -0.379 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.419 -0.280 -0.465 1.00 0.00 C ATOM 1120 C ARG A 70 -14.064 -1.728 -0.086 1.00 0.00 C ATOM 1121 O ARG A 70 -14.674 -2.680 -0.581 1.00 0.00 O ATOM 1122 CB ARG A 70 -14.997 -0.201 -1.886 1.00 0.00 C ATOM 1123 CG ARG A 70 -14.031 -0.644 -2.974 1.00 0.00 C ATOM 1124 CD ARG A 70 -14.467 -0.162 -4.351 1.00 0.00 C ATOM 1125 NE ARG A 70 -14.067 1.225 -4.605 1.00 0.00 N ATOM 1126 CZ ARG A 70 -14.372 1.904 -5.718 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -15.134 1.347 -6.653 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -13.922 3.141 -5.899 1.00 0.00 N ATOM 0 H ARG A 70 -12.525 0.390 -1.061 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.171 0.054 0.249 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.893 -0.819 -1.937 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.306 0.825 -2.085 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.035 -0.260 -2.754 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -13.960 -1.732 -2.976 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -14.034 -0.809 -5.114 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -15.550 -0.248 -4.438 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.521 1.704 -3.888 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -15.489 0.399 -6.524 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.364 1.867 -7.500 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.339 3.581 -5.187 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -14.159 3.651 -6.750 1.00 0.00 H new ATOM 1142 N LYS A 71 -13.098 -1.891 0.820 1.00 0.00 N ATOM 1143 CA LYS A 71 -12.618 -3.225 1.196 1.00 0.00 C ATOM 1144 C LYS A 71 -12.016 -3.206 2.607 1.00 0.00 C ATOM 1145 O LYS A 71 -12.248 -2.259 3.363 1.00 0.00 O ATOM 1146 CB LYS A 71 -11.568 -3.680 0.181 1.00 0.00 C ATOM 1147 CG LYS A 71 -11.613 -5.158 -0.160 1.00 0.00 C ATOM 1148 CD LYS A 71 -10.680 -5.469 -1.318 1.00 0.00 C ATOM 1149 CE LYS A 71 -11.153 -4.820 -2.608 1.00 0.00 C ATOM 1150 NZ LYS A 71 -12.304 -5.544 -3.212 1.00 0.00 N ATOM 0 H LYS A 71 -12.634 -1.123 1.305 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.456 -3.922 1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.697 -3.106 -0.736 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.578 -3.441 0.571 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.328 -5.747 0.712 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.632 -5.446 -0.419 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.676 -5.118 -1.081 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.617 -6.548 -1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.439 -3.787 -2.409 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.329 -4.791 -3.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.784 -4.924 -3.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.961 -6.397 -3.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.973 -5.818 -2.464 1.00 0.00 H new ATOM 1164 N LEU A 72 -11.238 -4.249 2.943 1.00 0.00 N ATOM 1165 CA LEU A 72 -10.582 -4.373 4.246 1.00 0.00 C ATOM 1166 C LEU A 72 -11.550 -4.410 5.428 1.00 0.00 C ATOM 1167 O LEU A 72 -11.900 -5.482 5.925 1.00 0.00 O ATOM 1168 CB LEU A 72 -9.579 -3.240 4.447 1.00 0.00 C ATOM 1169 CG LEU A 72 -8.155 -3.547 4.003 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -8.138 -4.135 2.605 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -7.316 -2.284 4.058 1.00 0.00 C ATOM 0 H LEU A 72 -11.049 -5.029 2.314 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.073 -5.336 4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.931 -2.364 3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.563 -2.974 5.504 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.731 -4.286 4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.110 -4.345 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.715 -5.059 2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.577 -3.423 1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.298 -2.509 3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.746 -1.533 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.300 -1.902 5.079 1.00 0.00 H new ATOM 1183 N HIS A 73 -11.992 -3.234 5.851 1.00 0.00 N ATOM 1184 CA HIS A 73 -12.640 -3.064 7.149 1.00 0.00 C ATOM 1185 C HIS A 73 -12.982 -1.588 7.351 1.00 0.00 C ATOM 1186 O HIS A 73 -13.921 -1.240 8.061 1.00 0.00 O ATOM 1187 CB HIS A 73 -11.669 -3.533 8.251 1.00 0.00 C ATOM 1188 CG HIS A 73 -12.245 -3.658 9.635 1.00 0.00 C ATOM 1189 ND1 HIS A 73 -13.052 -2.841 10.357 1.00 0.00 N flip ATOM 1190 CD2 HIS A 73 -11.944 -4.715 10.464 1.00 0.00 C flip ATOM 1191 CE1 HIS A 73 -13.217 -3.416 11.592 1.00 0.00 C flip ATOM 1192 NE2 HIS A 73 -12.539 -4.544 11.628 1.00 0.00 N flip ATOM 0 H HIS A 73 -11.913 -2.373 5.309 1.00 0.00 H new ATOM 0 HA HIS A 73 -13.557 -3.652 7.194 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -11.263 -4.502 7.960 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -10.832 -2.835 8.290 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -13.461 -1.962 10.040 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -11.317 -5.555 10.201 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -13.806 -3.010 12.401 1.00 0.00 H new ATOM 1201 N GLY A 74 -12.209 -0.732 6.697 1.00 0.00 N ATOM 1202 CA GLY A 74 -12.301 0.695 6.927 1.00 0.00 C ATOM 1203 C GLY A 74 -10.979 1.232 7.425 1.00 0.00 C ATOM 1204 O GLY A 74 -10.831 2.421 7.699 1.00 0.00 O ATOM 0 H GLY A 74 -11.512 -1.005 6.004 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.583 1.202 6.004 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.084 0.903 7.656 1.00 0.00 H new ATOM 1208 N THR A 75 -10.018 0.327 7.542 1.00 0.00 N ATOM 1209 CA THR A 75 -8.682 0.660 7.977 1.00 0.00 C ATOM 1210 C THR A 75 -7.910 1.326 6.846 1.00 0.00 C ATOM 1211 O THR A 75 -7.690 0.730 5.790 1.00 0.00 O ATOM 1212 CB THR A 75 -7.949 -0.607 8.452 1.00 0.00 C ATOM 1213 OG1 THR A 75 -8.141 -1.660 7.495 1.00 0.00 O ATOM 1214 CG2 THR A 75 -8.467 -1.048 9.814 1.00 0.00 C ATOM 0 H THR A 75 -10.151 -0.663 7.335 1.00 0.00 H new ATOM 0 HA THR A 75 -8.748 1.359 8.811 1.00 0.00 H new ATOM 0 HB THR A 75 -6.886 -0.384 8.542 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.673 -2.466 7.797 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.936 -1.945 10.132 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.303 -0.252 10.541 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.533 -1.263 9.746 1.00 0.00 H new ATOM 1222 N LEU A 76 -7.512 2.558 7.077 1.00 0.00 N ATOM 1223 CA LEU A 76 -6.888 3.369 6.056 1.00 0.00 C ATOM 1224 C LEU A 76 -5.802 4.239 6.678 1.00 0.00 C ATOM 1225 O LEU A 76 -5.869 4.570 7.865 1.00 0.00 O ATOM 1226 CB LEU A 76 -7.963 4.183 5.318 1.00 0.00 C ATOM 1227 CG LEU A 76 -8.647 5.275 6.124 1.00 0.00 C ATOM 1228 CD1 LEU A 76 -7.756 6.491 6.153 1.00 0.00 C ATOM 1229 CD2 LEU A 76 -10.006 5.608 5.529 1.00 0.00 C ATOM 0 H LEU A 76 -7.612 3.025 7.978 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.398 2.738 5.314 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.505 4.640 4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.727 3.494 4.956 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.813 4.928 7.144 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.237 7.281 6.729 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.804 6.233 6.616 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.582 6.839 5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.480 6.392 6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.879 5.954 4.503 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.635 4.718 5.537 1.00 0.00 H new ATOM 1241 N PRO A 77 -4.777 4.596 5.898 1.00 0.00 N ATOM 1242 CA PRO A 77 -3.641 5.362 6.398 1.00 0.00 C ATOM 1243 C PRO A 77 -3.905 6.862 6.446 1.00 0.00 C ATOM 1244 O PRO A 77 -4.496 7.438 5.528 1.00 0.00 O ATOM 1245 CB PRO A 77 -2.556 5.030 5.385 1.00 0.00 C ATOM 1246 CG PRO A 77 -3.286 4.841 4.100 1.00 0.00 C ATOM 1247 CD PRO A 77 -4.636 4.276 4.464 1.00 0.00 C ATOM 0 HA PRO A 77 -3.389 5.108 7.428 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.824 5.834 5.310 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.012 4.129 5.668 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.390 5.787 3.568 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.745 4.163 3.441 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.432 4.729 3.873 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.681 3.201 4.288 1.00 0.00 H new ATOM 1255 N LYS A 78 -3.443 7.491 7.514 1.00 0.00 N ATOM 1256 CA LYS A 78 -3.659 8.906 7.727 1.00 0.00 C ATOM 1257 C LYS A 78 -2.541 9.711 7.059 1.00 0.00 C ATOM 1258 O LYS A 78 -1.724 10.350 7.725 1.00 0.00 O ATOM 1259 CB LYS A 78 -3.724 9.187 9.233 1.00 0.00 C ATOM 1260 CG LYS A 78 -4.073 10.618 9.586 1.00 0.00 C ATOM 1261 CD LYS A 78 -5.455 11.003 9.084 1.00 0.00 C ATOM 1262 CE LYS A 78 -5.864 12.380 9.579 1.00 0.00 C ATOM 1263 NZ LYS A 78 -4.864 13.424 9.228 1.00 0.00 N ATOM 0 H LYS A 78 -2.910 7.034 8.254 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.604 9.209 7.277 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.463 8.524 9.683 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.760 8.940 9.679 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.031 10.746 10.668 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.330 11.290 9.156 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.464 10.990 7.994 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.183 10.264 9.418 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.830 12.646 9.150 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.993 12.352 10.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.270 14.366 9.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.014 13.301 9.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.608 13.336 8.224 1.00 0.00 H new ATOM 1277 N LEU A 79 -2.497 9.645 5.734 1.00 0.00 N ATOM 1278 CA LEU A 79 -1.484 10.356 4.960 1.00 0.00 C ATOM 1279 C LEU A 79 -2.118 11.193 3.868 1.00 0.00 C ATOM 1280 O LEU A 79 -1.434 11.688 2.973 1.00 0.00 O ATOM 1281 CB LEU A 79 -0.468 9.370 4.372 1.00 0.00 C ATOM 1282 CG LEU A 79 -1.052 8.100 3.736 1.00 0.00 C ATOM 1283 CD1 LEU A 79 -1.688 8.388 2.382 1.00 0.00 C ATOM 1284 CD2 LEU A 79 0.032 7.051 3.602 1.00 0.00 C ATOM 0 H LEU A 79 -3.153 9.105 5.170 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.957 11.033 5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.121 9.892 3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.220 9.073 5.164 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.840 7.725 4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.089 7.464 1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.494 9.111 2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.936 8.795 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.386 6.151 3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.834 7.435 2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.430 6.811 4.588 1.00 0.00 H new ATOM 1296 N ASN A 80 -3.425 11.370 3.997 1.00 0.00 N ATOM 1297 CA ASN A 80 -4.229 12.093 3.021 1.00 0.00 C ATOM 1298 C ASN A 80 -3.974 11.587 1.597 1.00 0.00 C ATOM 1299 O ASN A 80 -3.110 12.090 0.879 1.00 0.00 O ATOM 1300 CB ASN A 80 -3.965 13.594 3.139 1.00 0.00 C ATOM 1301 CG ASN A 80 -4.692 14.401 2.091 1.00 0.00 C ATOM 1302 OD1 ASN A 80 -5.860 14.753 2.253 1.00 0.00 O ATOM 1303 ND2 ASN A 80 -3.995 14.709 1.019 1.00 0.00 N ATOM 0 H ASN A 80 -3.962 11.013 4.788 1.00 0.00 H new ATOM 0 HA ASN A 80 -5.282 11.909 3.236 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.269 13.935 4.129 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.894 13.777 3.054 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.420 15.263 0.276 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.029 14.394 0.931 1.00 0.00 H new ATOM 1310 N PHE A 81 -4.722 10.570 1.198 1.00 0.00 N ATOM 1311 CA PHE A 81 -4.567 9.983 -0.127 1.00 0.00 C ATOM 1312 C PHE A 81 -5.486 10.655 -1.141 1.00 0.00 C ATOM 1313 O PHE A 81 -5.594 10.217 -2.289 1.00 0.00 O ATOM 1314 CB PHE A 81 -4.821 8.473 -0.080 1.00 0.00 C ATOM 1315 CG PHE A 81 -5.984 8.072 0.782 1.00 0.00 C ATOM 1316 CD1 PHE A 81 -7.287 8.237 0.342 1.00 0.00 C ATOM 1317 CD2 PHE A 81 -5.772 7.523 2.038 1.00 0.00 C ATOM 1318 CE1 PHE A 81 -8.355 7.868 1.136 1.00 0.00 C ATOM 1319 CE2 PHE A 81 -6.835 7.152 2.834 1.00 0.00 C ATOM 1320 CZ PHE A 81 -8.129 7.325 2.384 1.00 0.00 C ATOM 0 H PHE A 81 -5.443 10.133 1.772 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.539 10.150 -0.450 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -4.993 8.113 -1.094 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.923 7.976 0.286 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.470 8.660 -0.635 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.763 7.385 2.397 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -9.366 8.004 0.780 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -6.655 6.726 3.810 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.962 7.036 3.007 1.00 0.00 H new ATOM 1330 N GLY A 82 -6.130 11.735 -0.718 1.00 0.00 N ATOM 1331 CA GLY A 82 -6.992 12.489 -1.609 1.00 0.00 C ATOM 1332 C GLY A 82 -6.200 13.216 -2.680 1.00 0.00 C ATOM 1333 O GLY A 82 -6.763 13.697 -3.660 1.00 0.00 O ATOM 0 H GLY A 82 -6.071 12.104 0.231 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.706 11.814 -2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.569 13.211 -1.031 1.00 0.00 H new ATOM 1337 N MET A 83 -4.886 13.273 -2.490 1.00 0.00 N ATOM 1338 CA MET A 83 -3.988 13.922 -3.441 1.00 0.00 C ATOM 1339 C MET A 83 -3.640 12.985 -4.595 1.00 0.00 C ATOM 1340 O MET A 83 -2.873 13.348 -5.490 1.00 0.00 O ATOM 1341 CB MET A 83 -2.704 14.398 -2.733 1.00 0.00 C ATOM 1342 CG MET A 83 -1.892 13.293 -2.049 1.00 0.00 C ATOM 1343 SD MET A 83 -0.965 12.262 -3.204 1.00 0.00 S ATOM 1344 CE MET A 83 -0.306 11.011 -2.104 1.00 0.00 C ATOM 0 H MET A 83 -4.415 12.874 -1.678 1.00 0.00 H new ATOM 0 HA MET A 83 -4.504 14.790 -3.852 1.00 0.00 H new ATOM 0 HB2 MET A 83 -2.067 14.896 -3.464 1.00 0.00 H new ATOM 0 HB3 MET A 83 -2.975 15.144 -1.986 1.00 0.00 H new ATOM 0 HG2 MET A 83 -1.198 13.748 -1.342 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.567 12.661 -1.471 1.00 0.00 H new ATOM 0 HE1 MET A 83 0.291 10.301 -2.676 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.320 11.485 -1.348 1.00 0.00 H new ATOM 0 HE3 MET A 83 -1.127 10.485 -1.617 1.00 0.00 H new ATOM 1354 N LEU A 84 -4.199 11.779 -4.572 1.00 0.00 N ATOM 1355 CA LEU A 84 -3.872 10.777 -5.578 1.00 0.00 C ATOM 1356 C LEU A 84 -5.125 10.120 -6.156 1.00 0.00 C ATOM 1357 O LEU A 84 -5.123 9.676 -7.304 1.00 0.00 O ATOM 1358 CB LEU A 84 -2.960 9.707 -4.974 1.00 0.00 C ATOM 1359 CG LEU A 84 -2.457 8.647 -5.956 1.00 0.00 C ATOM 1360 CD1 LEU A 84 -1.614 9.289 -7.045 1.00 0.00 C ATOM 1361 CD2 LEU A 84 -1.662 7.582 -5.223 1.00 0.00 C ATOM 0 H LEU A 84 -4.876 11.474 -3.872 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.356 11.285 -6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.098 10.200 -4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.498 9.207 -4.169 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.319 8.172 -6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.264 8.521 -7.735 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.215 10.018 -7.588 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.757 9.789 -6.594 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.311 6.835 -5.935 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.806 8.042 -4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.297 7.103 -4.478 1.00 0.00 H new ATOM 1373 N ARG A 85 -6.194 10.068 -5.368 1.00 0.00 N ATOM 1374 CA ARG A 85 -7.406 9.367 -5.784 1.00 0.00 C ATOM 1375 C ARG A 85 -7.991 9.953 -7.058 1.00 0.00 C ATOM 1376 O ARG A 85 -8.312 11.142 -7.124 1.00 0.00 O ATOM 1377 CB ARG A 85 -8.464 9.372 -4.679 1.00 0.00 C ATOM 1378 CG ARG A 85 -8.094 8.526 -3.474 1.00 0.00 C ATOM 1379 CD ARG A 85 -9.242 8.428 -2.485 1.00 0.00 C ATOM 1380 NE ARG A 85 -10.382 7.685 -3.027 1.00 0.00 N ATOM 1381 CZ ARG A 85 -11.428 7.297 -2.299 1.00 0.00 C ATOM 1382 NH1 ARG A 85 -11.491 7.604 -1.012 1.00 0.00 N ATOM 1383 NH2 ARG A 85 -12.414 6.608 -2.864 1.00 0.00 N ATOM 0 H ARG A 85 -6.247 10.499 -4.445 1.00 0.00 H new ATOM 0 HA ARG A 85 -7.113 8.336 -5.984 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -8.631 10.399 -4.353 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -9.407 9.011 -5.090 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.811 7.526 -3.804 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.223 8.957 -2.980 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.893 7.940 -1.575 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.565 9.431 -2.206 1.00 0.00 H new ATOM 0 HE ARG A 85 -10.375 7.451 -4.020 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.738 8.138 -0.578 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.292 7.307 -0.455 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -12.370 6.376 -3.856 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -13.214 6.312 -2.305 1.00 0.00 H new ATOM 1397 N LYS A 86 -8.089 9.094 -8.073 1.00 0.00 N ATOM 1398 CA LYS A 86 -8.656 9.443 -9.371 1.00 0.00 C ATOM 1399 C LYS A 86 -7.781 10.478 -10.073 1.00 0.00 C ATOM 1400 O LYS A 86 -8.183 11.115 -11.049 1.00 0.00 O ATOM 1401 CB LYS A 86 -10.098 9.948 -9.224 1.00 0.00 C ATOM 1402 CG LYS A 86 -10.889 9.872 -10.517 1.00 0.00 C ATOM 1403 CD LYS A 86 -10.994 8.437 -11.008 1.00 0.00 C ATOM 1404 CE LYS A 86 -11.647 8.356 -12.377 1.00 0.00 C ATOM 1405 NZ LYS A 86 -13.038 8.870 -12.365 1.00 0.00 N ATOM 0 H LYS A 86 -7.773 8.126 -8.014 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.682 8.544 -9.987 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -10.606 9.361 -8.459 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.081 10.981 -8.875 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.887 10.281 -10.361 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.408 10.486 -11.278 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.999 7.994 -11.053 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.572 7.850 -10.294 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.057 8.927 -13.094 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.647 7.320 -12.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.472 8.718 -13.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.588 8.366 -11.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.030 9.887 -12.149 1.00 0.00 H new ATOM 1419 N MET A 87 -6.570 10.628 -9.570 1.00 0.00 N ATOM 1420 CA MET A 87 -5.598 11.531 -10.157 1.00 0.00 C ATOM 1421 C MET A 87 -4.509 10.731 -10.859 1.00 0.00 C ATOM 1422 O MET A 87 -3.689 11.281 -11.594 1.00 0.00 O ATOM 1423 CB MET A 87 -4.996 12.430 -9.076 1.00 0.00 C ATOM 1424 CG MET A 87 -6.000 13.391 -8.461 1.00 0.00 C ATOM 1425 SD MET A 87 -5.250 14.518 -7.271 1.00 0.00 S ATOM 1426 CE MET A 87 -6.701 15.362 -6.652 1.00 0.00 C ATOM 0 H MET A 87 -6.233 10.129 -8.746 1.00 0.00 H new ATOM 0 HA MET A 87 -6.094 12.164 -10.892 1.00 0.00 H new ATOM 0 HB2 MET A 87 -4.573 11.806 -8.289 1.00 0.00 H new ATOM 0 HB3 MET A 87 -4.174 13.002 -9.506 1.00 0.00 H new ATOM 0 HG2 MET A 87 -6.474 13.970 -9.253 1.00 0.00 H new ATOM 0 HG3 MET A 87 -6.787 12.820 -7.968 1.00 0.00 H new ATOM 0 HE1 MET A 87 -6.403 16.096 -5.903 1.00 0.00 H new ATOM 0 HE2 MET A 87 -7.206 15.868 -7.475 1.00 0.00 H new ATOM 0 HE3 MET A 87 -7.379 14.637 -6.201 1.00 0.00 H new ATOM 1436 N GLY A 88 -4.524 9.424 -10.629 1.00 0.00 N ATOM 1437 CA GLY A 88 -3.580 8.532 -11.260 1.00 0.00 C ATOM 1438 C GLY A 88 -4.180 7.157 -11.444 1.00 0.00 C ATOM 1439 O GLY A 88 -5.050 6.781 -10.631 1.00 0.00 O ATOM 1440 OXT GLY A 88 -3.806 6.452 -12.402 1.00 0.00 O ATOM 0 H GLY A 88 -5.187 8.963 -10.005 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.282 8.936 -12.228 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.678 8.462 -10.653 1.00 0.00 H new TER 1444 GLY A 88