USER MOD reduce.3.24.130724 H: found=0, std=0, add=931, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 930 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 59 MET CE :methyl -179:sc= -2.38 (180deg=-2.33) USER MOD Set 1.2: A 115 HIS :FLIP no HD1:sc= -4.31 F(o=-9!,f=-6.7) USER MOD Set 2.1: A 53 HIS : no HE2:sc= -0.2 K(o=0.77,f=-20!) USER MOD Set 2.2: A 57 LYS NZ :NH3+ 175:sc= 2.22 (180deg=0.923) USER MOD Set 2.3: A 68 ASN : amide:sc= -0.834 X(o=0.77,f=0.61) USER MOD Set 2.4: A 76 HIS : no HE2:sc= -0.399 K(o=0.77,f=-0.36) USER MOD Set 2.5: A 99 TYR OH : rot -173:sc= -0.0191 USER MOD Set 3.1: A 91 ASN : amide:sc= 0.578 K(o=0.83,f=-4.7!) USER MOD Set 3.2: A 95 THR OG1 : rot 82:sc= 0.254 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.218 USER MOD Single : A 10 HIS :FLIP no HD1:sc= -0.617 F(o=-1.2,f=-0.62) USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= 1.26 (180deg=1.2) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot -129:sc= 0.36 USER MOD Single : A 29 MET CE :methyl 178:sc= -1.27 (180deg=-1.27) USER MOD Single : A 33 LYS NZ :NH3+ 137:sc= 1.23 (180deg=0.0803) USER MOD Single : A 35 GLN : amide:sc= -0.458 K(o=-0.46,f=-4.5!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 165:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 76:sc= 1.01 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 86 GLN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.0836 K(o=-0.084,f=-1.2) USER MOD Single : A 97 THR OG1 : rot 118:sc= 0.978 USER MOD Single : A 100 CYS SG : rot -160:sc= -0.0113 USER MOD Single : A 101 SER OG : rot 87:sc= 0.0983 USER MOD Single : A 102 THR OG1 : rot 86:sc= 0.714 USER MOD Single : A 104 MET CE :methyl 137:sc= -0.94 (180deg=-2.95!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.615 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 CYS SG : rot 180:sc= -0.612 USER MOD Single : A 121 LYS NZ :NH3+ -160:sc= 1.68 (180deg=0.571) USER MOD ----------------------------------------------------------------- ATOM 38 N GLY A 4 -2.819 5.333 1.532 1.00 0.00 N ATOM 39 CA GLY A 4 -3.641 5.251 2.734 1.00 0.00 C ATOM 40 C GLY A 4 -3.167 6.223 3.799 1.00 0.00 C ATOM 41 O GLY A 4 -2.843 5.822 4.914 1.00 0.00 O ATOM 0 HA2 GLY A 4 -4.680 5.465 2.481 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.611 4.235 3.128 1.00 0.00 H new ATOM 45 N ASP A 5 -3.153 7.501 3.428 1.00 0.00 N ATOM 46 CA ASP A 5 -2.766 8.610 4.273 1.00 0.00 C ATOM 47 C ASP A 5 -3.015 9.905 3.506 1.00 0.00 C ATOM 48 O ASP A 5 -3.589 10.842 4.064 1.00 0.00 O ATOM 49 CB ASP A 5 -1.271 8.519 4.681 1.00 0.00 C ATOM 50 CG ASP A 5 -0.985 9.522 5.788 1.00 0.00 C ATOM 51 OD1 ASP A 5 -1.448 9.261 6.921 1.00 0.00 O ATOM 52 OD2 ASP A 5 -0.379 10.569 5.485 1.00 0.00 O ATOM 0 H ASP A 5 -3.424 7.796 2.490 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.357 8.584 5.188 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.037 7.510 5.020 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.635 8.721 3.819 1.00 0.00 H new ATOM 57 N THR A 6 -2.568 9.897 2.238 1.00 0.00 N ATOM 58 CA THR A 6 -2.609 10.923 1.207 1.00 0.00 C ATOM 59 C THR A 6 -2.232 12.285 1.741 1.00 0.00 C ATOM 60 O THR A 6 -1.614 12.366 2.796 1.00 0.00 O ATOM 61 CB THR A 6 -3.870 10.860 0.360 1.00 0.00 C ATOM 62 OG1 THR A 6 -3.678 11.503 -0.887 1.00 0.00 O ATOM 63 CG2 THR A 6 -4.977 11.553 1.106 1.00 0.00 C ATOM 0 H THR A 6 -2.113 9.058 1.877 1.00 0.00 H new ATOM 0 HA THR A 6 -1.822 10.702 0.486 1.00 0.00 H new ATOM 0 HB THR A 6 -4.120 9.816 0.172 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.502 11.448 -1.414 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.892 11.519 0.514 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.143 11.052 2.060 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.700 12.592 1.286 1.00 0.00 H new ATOM 71 N PHE A 7 -2.531 13.335 0.964 1.00 0.00 N ATOM 72 CA PHE A 7 -2.074 14.680 1.253 1.00 0.00 C ATOM 73 C PHE A 7 -3.124 15.750 1.026 1.00 0.00 C ATOM 74 O PHE A 7 -4.247 15.425 0.648 1.00 0.00 O ATOM 75 CB PHE A 7 -0.751 14.828 0.507 1.00 0.00 C ATOM 76 CG PHE A 7 0.111 13.557 0.766 1.00 0.00 C ATOM 77 CD1 PHE A 7 0.814 13.391 1.986 1.00 0.00 C ATOM 78 CD2 PHE A 7 0.153 12.482 -0.161 1.00 0.00 C ATOM 79 CE1 PHE A 7 1.573 12.236 2.242 1.00 0.00 C ATOM 80 CE2 PHE A 7 0.917 11.329 0.098 1.00 0.00 C ATOM 81 CZ PHE A 7 1.639 11.209 1.293 1.00 0.00 C ATOM 0 H PHE A 7 -3.098 13.264 0.119 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.895 14.839 2.316 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -0.931 14.952 -0.561 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.223 15.719 0.847 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.765 14.168 2.734 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.411 12.550 -1.080 1.00 0.00 H new ATOM 0 HE1 PHE A 7 2.108 12.140 3.175 1.00 0.00 H new ATOM 0 HE2 PHE A 7 0.947 10.531 -0.629 1.00 0.00 H new ATOM 0 HZ PHE A 7 2.241 10.332 1.480 1.00 0.00 H new ATOM 91 N ILE A 8 -2.769 17.010 1.317 1.00 0.00 N ATOM 92 CA ILE A 8 -3.692 18.132 1.256 1.00 0.00 C ATOM 93 C ILE A 8 -3.336 19.203 0.235 1.00 0.00 C ATOM 94 O ILE A 8 -2.181 19.329 -0.176 1.00 0.00 O ATOM 95 CB ILE A 8 -3.922 18.662 2.686 1.00 0.00 C ATOM 96 CG1 ILE A 8 -4.776 17.591 3.388 1.00 0.00 C ATOM 97 CG2 ILE A 8 -4.565 20.058 2.756 1.00 0.00 C ATOM 98 CD1 ILE A 8 -5.385 18.100 4.679 1.00 0.00 C ATOM 0 H ILE A 8 -1.825 17.272 1.602 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.641 17.768 0.863 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.963 18.816 3.181 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.571 17.265 2.717 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.159 16.718 3.599 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.689 20.350 3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.923 20.780 2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.539 20.035 2.268 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.978 17.309 5.138 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.591 18.401 5.362 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.024 18.957 4.467 1.00 0.00 H new ATOM 110 N ARG A 9 -4.368 19.970 -0.160 1.00 0.00 N ATOM 111 CA ARG A 9 -4.278 21.051 -1.119 1.00 0.00 C ATOM 112 C ARG A 9 -4.294 22.376 -0.366 1.00 0.00 C ATOM 113 O ARG A 9 -3.341 23.147 -0.477 1.00 0.00 O ATOM 114 CB ARG A 9 -5.448 20.943 -2.136 1.00 0.00 C ATOM 115 CG ARG A 9 -4.935 21.052 -3.578 1.00 0.00 C ATOM 116 CD ARG A 9 -4.379 22.446 -3.900 1.00 0.00 C ATOM 117 NE ARG A 9 -3.734 22.474 -5.222 1.00 0.00 N ATOM 118 CZ ARG A 9 -4.364 22.571 -6.406 1.00 0.00 C ATOM 119 NH1 ARG A 9 -5.698 22.666 -6.466 1.00 0.00 N ATOM 120 NH2 ARG A 9 -3.646 22.569 -7.537 1.00 0.00 N ATOM 0 H ARG A 9 -5.313 19.838 0.200 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.348 20.991 -1.684 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.965 19.993 -2.001 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.175 21.732 -1.944 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.156 20.307 -3.740 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.747 20.820 -4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.187 23.177 -3.872 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.659 22.738 -3.136 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.716 22.414 -5.242 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.248 22.665 -5.607 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.164 22.739 -7.370 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.630 22.494 -7.496 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.116 22.642 -8.439 1.00 0.00 H new ATOM 134 N HIS A 10 -5.366 22.645 0.392 1.00 0.00 N ATOM 135 CA HIS A 10 -5.477 23.900 1.136 1.00 0.00 C ATOM 136 C HIS A 10 -6.616 23.959 2.159 1.00 0.00 C ATOM 137 O HIS A 10 -7.388 23.008 2.302 1.00 0.00 O ATOM 138 CB HIS A 10 -5.536 25.091 0.143 1.00 0.00 C ATOM 139 CG HIS A 10 -6.843 25.857 0.026 1.00 0.00 C ATOM 140 ND1 HIS A 10 -8.153 25.463 -0.130 1.00 0.00 N flip ATOM 141 CD2 HIS A 10 -6.902 27.245 0.071 1.00 0.00 C flip ATOM 142 CE1 HIS A 10 -9.008 26.555 -0.180 1.00 0.00 C flip ATOM 143 NE2 HIS A 10 -8.194 27.601 -0.054 1.00 0.00 N flip ATOM 0 H HIS A 10 -6.160 22.015 0.504 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.578 23.966 1.749 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.757 25.800 0.425 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.280 24.714 -0.847 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -6.063 27.916 0.185 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.082 26.556 -0.294 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -8.515 28.569 -0.052 1.00 0.00 H new ATOM 151 N ILE A 11 -6.694 25.114 2.848 1.00 0.00 N ATOM 152 CA ILE A 11 -7.691 25.441 3.856 1.00 0.00 C ATOM 153 C ILE A 11 -8.479 26.689 3.453 1.00 0.00 C ATOM 154 O ILE A 11 -7.920 27.611 2.863 1.00 0.00 O ATOM 155 CB ILE A 11 -7.093 25.673 5.264 1.00 0.00 C ATOM 156 CG1 ILE A 11 -5.783 24.917 5.504 1.00 0.00 C ATOM 157 CG2 ILE A 11 -8.152 25.283 6.313 1.00 0.00 C ATOM 158 CD1 ILE A 11 -5.047 25.350 6.777 1.00 0.00 C ATOM 0 H ILE A 11 -6.027 25.872 2.702 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.345 24.571 3.910 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.836 26.729 5.349 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.995 23.849 5.563 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.126 25.065 4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.748 25.440 7.313 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.041 25.900 6.180 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.417 24.233 6.189 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.129 24.772 6.881 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.803 26.410 6.713 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.685 25.176 7.643 1.00 0.00 H new ATOM 170 N ALA A 12 -9.763 26.726 3.817 1.00 0.00 N ATOM 171 CA ALA A 12 -10.692 27.821 3.626 1.00 0.00 C ATOM 172 C ALA A 12 -11.413 27.890 4.969 1.00 0.00 C ATOM 173 O ALA A 12 -11.372 26.911 5.718 1.00 0.00 O ATOM 174 CB ALA A 12 -11.662 27.509 2.479 1.00 0.00 C ATOM 0 H ALA A 12 -10.202 25.933 4.284 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.215 28.762 3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.353 28.342 2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.099 27.358 1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.224 26.605 2.714 1.00 0.00 H new ATOM 180 N LEU A 13 -12.061 29.008 5.305 1.00 0.00 N ATOM 181 CA LEU A 13 -12.762 29.117 6.580 1.00 0.00 C ATOM 182 C LEU A 13 -14.174 29.588 6.298 1.00 0.00 C ATOM 183 O LEU A 13 -14.379 30.428 5.423 1.00 0.00 O ATOM 184 CB LEU A 13 -11.914 29.944 7.561 1.00 0.00 C ATOM 185 CG LEU A 13 -12.125 29.764 9.096 1.00 0.00 C ATOM 186 CD1 LEU A 13 -10.780 30.113 9.711 1.00 0.00 C ATOM 187 CD2 LEU A 13 -13.113 30.674 9.830 1.00 0.00 C ATOM 0 H LEU A 13 -12.113 29.840 4.717 1.00 0.00 H new ATOM 0 HA LEU A 13 -12.885 28.166 7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.866 29.731 7.348 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -12.079 30.996 7.329 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.527 28.757 9.203 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.838 30.013 10.795 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.017 29.437 9.325 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.518 31.140 9.455 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.134 30.410 10.887 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.801 31.713 9.721 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -14.109 30.548 9.405 1.00 0.00 H new ATOM 199 N LEU A 14 -15.142 28.992 6.999 1.00 0.00 N ATOM 200 CA LEU A 14 -16.550 29.269 6.769 1.00 0.00 C ATOM 201 C LEU A 14 -17.008 30.382 7.676 1.00 0.00 C ATOM 202 O LEU A 14 -17.625 31.346 7.226 1.00 0.00 O ATOM 203 CB LEU A 14 -17.375 27.980 7.008 1.00 0.00 C ATOM 204 CG LEU A 14 -18.365 27.761 5.846 1.00 0.00 C ATOM 205 CD1 LEU A 14 -17.639 27.451 4.514 1.00 0.00 C ATOM 206 CD2 LEU A 14 -19.355 26.653 6.226 1.00 0.00 C ATOM 0 H LEU A 14 -14.967 28.309 7.736 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.699 29.590 5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -16.708 27.123 7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -17.919 28.056 7.950 1.00 0.00 H new ATOM 0 HG LEU A 14 -18.916 28.686 5.679 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -18.375 27.304 3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.987 28.285 4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -17.042 26.546 4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -20.057 26.495 5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -18.810 25.729 6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -19.903 26.946 7.122 1.00 0.00 H new ATOM 218 N GLY A 15 -16.693 30.239 8.959 1.00 0.00 N ATOM 219 CA GLY A 15 -17.098 31.293 9.881 1.00 0.00 C ATOM 220 C GLY A 15 -16.953 30.932 11.346 1.00 0.00 C ATOM 221 O GLY A 15 -15.932 30.379 11.749 1.00 0.00 O ATOM 0 H GLY A 15 -16.188 29.452 9.367 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -16.504 32.184 9.678 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.138 31.551 9.684 1.00 0.00 H new ATOM 225 N PHE A 16 -17.984 31.256 12.138 1.00 0.00 N ATOM 226 CA PHE A 16 -17.994 31.034 13.564 1.00 0.00 C ATOM 227 C PHE A 16 -18.550 29.616 13.807 1.00 0.00 C ATOM 228 O PHE A 16 -18.477 28.784 12.903 1.00 0.00 O ATOM 229 CB PHE A 16 -18.895 32.114 14.203 1.00 0.00 C ATOM 230 CG PHE A 16 -18.665 32.404 15.701 1.00 0.00 C ATOM 231 CD1 PHE A 16 -17.555 31.887 16.419 1.00 0.00 C ATOM 232 CD2 PHE A 16 -19.583 33.219 16.397 1.00 0.00 C ATOM 233 CE1 PHE A 16 -17.381 32.179 17.783 1.00 0.00 C ATOM 234 CE2 PHE A 16 -19.405 33.511 17.760 1.00 0.00 C ATOM 235 CZ PHE A 16 -18.304 32.992 18.455 1.00 0.00 C ATOM 0 H PHE A 16 -18.840 31.685 11.787 1.00 0.00 H new ATOM 0 HA PHE A 16 -17.000 31.104 14.006 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -18.758 33.044 13.651 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -19.934 31.814 14.069 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -16.835 31.262 15.911 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -20.436 33.625 15.874 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -16.533 31.775 18.315 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -20.119 34.138 18.274 1.00 0.00 H new ATOM 0 HZ PHE A 16 -18.168 33.217 19.502 1.00 0.00 H new ATOM 245 N GLU A 17 -19.108 29.339 14.993 1.00 0.00 N ATOM 246 CA GLU A 17 -19.729 28.080 15.406 1.00 0.00 C ATOM 247 C GLU A 17 -20.252 28.274 16.833 1.00 0.00 C ATOM 248 O GLU A 17 -20.159 29.371 17.382 1.00 0.00 O ATOM 249 CB GLU A 17 -18.803 26.857 15.236 1.00 0.00 C ATOM 250 CG GLU A 17 -19.325 25.825 14.224 1.00 0.00 C ATOM 251 CD GLU A 17 -20.415 24.922 14.792 1.00 0.00 C ATOM 252 OE1 GLU A 17 -21.399 25.480 15.319 1.00 0.00 O ATOM 253 OE2 GLU A 17 -20.271 23.685 14.694 1.00 0.00 O ATOM 0 H GLU A 17 -19.138 30.037 15.736 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.564 27.842 14.747 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.818 27.199 14.918 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -18.675 26.372 16.204 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.714 26.348 13.350 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.494 25.209 13.882 1.00 0.00 H new ATOM 260 N LYS A 18 -20.830 27.220 17.417 1.00 0.00 N ATOM 261 CA LYS A 18 -21.433 27.171 18.719 1.00 0.00 C ATOM 262 C LYS A 18 -21.293 25.747 19.296 1.00 0.00 C ATOM 263 O LYS A 18 -21.633 24.760 18.644 1.00 0.00 O ATOM 264 CB LYS A 18 -22.874 27.718 18.691 1.00 0.00 C ATOM 265 CG LYS A 18 -23.920 26.922 17.894 1.00 0.00 C ATOM 266 CD LYS A 18 -23.871 27.161 16.378 1.00 0.00 C ATOM 267 CE LYS A 18 -24.477 25.981 15.605 1.00 0.00 C ATOM 268 NZ LYS A 18 -23.869 25.855 14.270 1.00 0.00 N ATOM 0 H LYS A 18 -20.884 26.319 16.942 1.00 0.00 H new ATOM 0 HA LYS A 18 -20.906 27.835 19.404 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.224 27.797 19.720 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -22.842 28.730 18.287 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -23.776 25.859 18.088 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -24.914 27.181 18.260 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.413 28.074 16.134 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -22.838 27.311 16.065 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -24.326 25.059 16.166 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -25.553 26.121 15.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -24.365 25.117 13.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -23.946 26.762 13.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -22.866 25.597 14.368 1.00 0.00 H new ATOM 282 N ARG A 19 -20.775 25.659 20.522 1.00 0.00 N ATOM 283 CA ARG A 19 -20.521 24.474 21.330 1.00 0.00 C ATOM 284 C ARG A 19 -20.736 24.920 22.771 1.00 0.00 C ATOM 285 O ARG A 19 -19.830 25.466 23.402 1.00 0.00 O ATOM 286 CB ARG A 19 -19.065 24.018 21.153 1.00 0.00 C ATOM 287 CG ARG A 19 -18.696 23.410 19.803 1.00 0.00 C ATOM 288 CD ARG A 19 -19.152 21.957 19.692 1.00 0.00 C ATOM 289 NE ARG A 19 -18.553 21.340 18.506 1.00 0.00 N ATOM 290 CZ ARG A 19 -19.001 21.479 17.253 1.00 0.00 C ATOM 291 NH1 ARG A 19 -20.047 22.274 16.985 1.00 0.00 N ATOM 292 NH2 ARG A 19 -18.384 20.819 16.272 1.00 0.00 N ATOM 0 H ARG A 19 -20.496 26.504 21.020 1.00 0.00 H new ATOM 0 HA ARG A 19 -21.169 23.644 21.047 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -18.416 24.876 21.328 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -18.841 23.285 21.929 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -19.151 23.996 19.004 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -17.616 23.464 19.663 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -18.862 21.406 20.586 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -20.239 21.911 19.628 1.00 0.00 H new ATOM 0 HE ARG A 19 -17.728 20.757 18.647 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -20.510 22.780 17.740 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -20.380 22.373 16.026 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -17.585 20.221 16.483 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -18.711 20.912 15.310 1.00 0.00 H new ATOM 401 N TYR A 26 -17.425 28.574 22.661 1.00 0.00 N ATOM 402 CA TYR A 26 -17.702 28.630 21.222 1.00 0.00 C ATOM 403 C TYR A 26 -16.436 28.308 20.415 1.00 0.00 C ATOM 404 O TYR A 26 -15.330 28.299 20.962 1.00 0.00 O ATOM 405 CB TYR A 26 -18.343 29.970 20.808 1.00 0.00 C ATOM 406 CG TYR A 26 -19.884 30.054 21.003 1.00 0.00 C ATOM 407 CD1 TYR A 26 -20.538 29.429 22.098 1.00 0.00 C ATOM 408 CD2 TYR A 26 -20.702 30.759 20.082 1.00 0.00 C ATOM 409 CE1 TYR A 26 -21.930 29.509 22.263 1.00 0.00 C ATOM 410 CE2 TYR A 26 -22.095 30.836 20.250 1.00 0.00 C ATOM 411 CZ TYR A 26 -22.712 30.213 21.339 1.00 0.00 C ATOM 412 OH TYR A 26 -24.065 30.293 21.495 1.00 0.00 O ATOM 0 HA TYR A 26 -18.441 27.863 20.991 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -17.876 30.771 21.382 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -18.115 30.155 19.758 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -19.951 28.880 22.820 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -20.244 31.247 19.234 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -22.400 29.025 23.107 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -22.693 31.380 19.533 1.00 0.00 H new ATOM 0 HH TYR A 26 -24.448 30.820 20.763 1.00 0.00 H new ATOM 422 N VAL A 27 -16.604 28.008 19.119 1.00 0.00 N ATOM 423 CA VAL A 27 -15.525 27.613 18.221 1.00 0.00 C ATOM 424 C VAL A 27 -15.833 28.156 16.829 1.00 0.00 C ATOM 425 O VAL A 27 -16.919 28.700 16.654 1.00 0.00 O ATOM 426 CB VAL A 27 -15.406 26.067 18.229 1.00 0.00 C ATOM 427 CG1 VAL A 27 -15.301 25.477 19.638 1.00 0.00 C ATOM 428 CG2 VAL A 27 -16.553 25.350 17.512 1.00 0.00 C ATOM 0 H VAL A 27 -17.516 28.036 18.662 1.00 0.00 H new ATOM 0 HA VAL A 27 -14.568 28.023 18.544 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.479 25.892 17.682 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.220 24.392 19.573 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.417 25.877 20.135 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -16.190 25.741 20.210 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -16.396 24.272 17.562 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -17.498 25.602 17.994 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -16.583 25.664 16.469 1.00 0.00 H new ATOM 438 N TYR A 28 -14.918 28.014 15.851 1.00 0.00 N ATOM 439 CA TYR A 28 -15.104 28.440 14.487 1.00 0.00 C ATOM 440 C TYR A 28 -15.091 27.294 13.483 1.00 0.00 C ATOM 441 O TYR A 28 -14.451 26.264 13.696 1.00 0.00 O ATOM 442 CB TYR A 28 -14.149 29.567 14.076 1.00 0.00 C ATOM 443 CG TYR A 28 -12.859 29.751 14.840 1.00 0.00 C ATOM 444 CD1 TYR A 28 -11.953 28.694 14.980 1.00 0.00 C ATOM 445 CD2 TYR A 28 -12.554 31.003 15.404 1.00 0.00 C ATOM 446 CE1 TYR A 28 -10.781 28.885 15.717 1.00 0.00 C ATOM 447 CE2 TYR A 28 -11.374 31.199 16.131 1.00 0.00 C ATOM 448 CZ TYR A 28 -10.487 30.129 16.302 1.00 0.00 C ATOM 449 OH TYR A 28 -9.333 30.313 17.001 1.00 0.00 O ATOM 0 H TYR A 28 -14.007 27.584 16.013 1.00 0.00 H new ATOM 0 HA TYR A 28 -16.112 28.854 14.461 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -13.891 29.414 13.028 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -14.702 30.504 14.134 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -12.158 27.738 14.522 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -13.241 31.826 15.274 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -10.090 28.064 15.839 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -11.150 32.166 16.556 1.00 0.00 H new ATOM 0 HH TYR A 28 -9.539 30.708 17.874 1.00 0.00 H new ATOM 459 N MET A 29 -15.832 27.501 12.386 1.00 0.00 N ATOM 460 CA MET A 29 -16.003 26.531 11.320 1.00 0.00 C ATOM 461 C MET A 29 -14.867 26.576 10.272 1.00 0.00 C ATOM 462 O MET A 29 -14.670 27.614 9.635 1.00 0.00 O ATOM 463 CB MET A 29 -17.407 26.723 10.732 1.00 0.00 C ATOM 464 CG MET A 29 -17.762 25.621 9.748 1.00 0.00 C ATOM 465 SD MET A 29 -17.822 24.000 10.532 1.00 0.00 S ATOM 466 CE MET A 29 -17.294 23.083 9.092 1.00 0.00 C ATOM 0 H MET A 29 -16.337 28.372 12.221 1.00 0.00 H new ATOM 0 HA MET A 29 -15.926 25.520 11.721 1.00 0.00 H new ATOM 0 HB2 MET A 29 -18.140 26.740 11.539 1.00 0.00 H new ATOM 0 HB3 MET A 29 -17.462 27.689 10.231 1.00 0.00 H new ATOM 0 HG2 MET A 29 -18.729 25.839 9.295 1.00 0.00 H new ATOM 0 HG3 MET A 29 -17.028 25.606 8.942 1.00 0.00 H new ATOM 0 HE1 MET A 29 -17.218 22.025 9.342 1.00 0.00 H new ATOM 0 HE2 MET A 29 -18.021 23.215 8.290 1.00 0.00 H new ATOM 0 HE3 MET A 29 -16.321 23.449 8.764 1.00 0.00 H new ATOM 476 N PHE A 30 -14.124 25.462 10.096 1.00 0.00 N ATOM 477 CA PHE A 30 -12.989 25.272 9.215 1.00 0.00 C ATOM 478 C PHE A 30 -13.319 24.370 8.010 1.00 0.00 C ATOM 479 O PHE A 30 -13.822 23.264 8.197 1.00 0.00 O ATOM 480 CB PHE A 30 -11.842 24.615 10.030 1.00 0.00 C ATOM 481 CG PHE A 30 -10.651 25.551 10.386 1.00 0.00 C ATOM 482 CD1 PHE A 30 -10.771 26.838 10.992 1.00 0.00 C ATOM 483 CD2 PHE A 30 -9.342 25.110 10.088 1.00 0.00 C ATOM 484 CE1 PHE A 30 -9.611 27.587 11.250 1.00 0.00 C ATOM 485 CE2 PHE A 30 -8.196 25.870 10.354 1.00 0.00 C ATOM 486 CZ PHE A 30 -8.330 27.124 10.940 1.00 0.00 C ATOM 0 H PHE A 30 -14.334 24.611 10.618 1.00 0.00 H new ATOM 0 HA PHE A 30 -12.701 26.248 8.825 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -12.259 24.218 10.956 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.458 23.766 9.464 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.743 27.232 11.249 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.219 24.139 9.632 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.714 28.560 11.707 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.218 25.486 10.106 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.460 27.728 11.151 1.00 0.00 H new ATOM 496 N LEU A 31 -13.011 24.800 6.776 1.00 0.00 N ATOM 497 CA LEU A 31 -13.211 24.041 5.563 1.00 0.00 C ATOM 498 C LEU A 31 -11.886 23.460 5.075 1.00 0.00 C ATOM 499 O LEU A 31 -10.974 24.238 4.793 1.00 0.00 O ATOM 500 CB LEU A 31 -13.839 24.951 4.494 1.00 0.00 C ATOM 501 CG LEU A 31 -15.322 24.667 4.246 1.00 0.00 C ATOM 502 CD1 LEU A 31 -15.465 23.342 3.507 1.00 0.00 C ATOM 503 CD2 LEU A 31 -16.161 24.689 5.530 1.00 0.00 C ATOM 0 H LEU A 31 -12.603 25.719 6.606 1.00 0.00 H new ATOM 0 HA LEU A 31 -13.887 23.209 5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.722 25.991 4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -13.293 24.830 3.559 1.00 0.00 H new ATOM 0 HG LEU A 31 -15.717 25.473 3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -16.521 23.137 3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -14.940 23.399 2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.036 22.541 4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -17.203 24.481 5.287 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -15.790 23.931 6.220 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -16.086 25.671 5.997 1.00 0.00 H new ATOM 515 N VAL A 32 -11.765 22.123 4.950 1.00 0.00 N ATOM 516 CA VAL A 32 -10.545 21.509 4.445 1.00 0.00 C ATOM 517 C VAL A 32 -10.798 21.024 3.017 1.00 0.00 C ATOM 518 O VAL A 32 -11.851 20.445 2.743 1.00 0.00 O ATOM 519 CB VAL A 32 -9.964 20.437 5.377 1.00 0.00 C ATOM 520 CG1 VAL A 32 -10.996 19.494 5.994 1.00 0.00 C ATOM 521 CG2 VAL A 32 -8.876 19.617 4.674 1.00 0.00 C ATOM 0 H VAL A 32 -12.501 21.460 5.194 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.755 22.260 4.419 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.534 21.003 6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.491 18.772 6.636 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.708 20.070 6.585 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.526 18.966 5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.485 18.867 5.361 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.300 19.123 3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.068 20.278 4.360 1.00 0.00 H new ATOM 531 N LYS A 33 -9.839 21.264 2.109 1.00 0.00 N ATOM 532 CA LYS A 33 -9.964 20.869 0.718 1.00 0.00 C ATOM 533 C LYS A 33 -8.917 19.804 0.404 1.00 0.00 C ATOM 534 O LYS A 33 -7.732 20.140 0.335 1.00 0.00 O ATOM 535 CB LYS A 33 -9.844 22.094 -0.203 1.00 0.00 C ATOM 536 CG LYS A 33 -10.600 21.942 -1.534 1.00 0.00 C ATOM 537 CD LYS A 33 -10.172 20.689 -2.305 1.00 0.00 C ATOM 538 CE LYS A 33 -10.844 20.560 -3.673 1.00 0.00 C ATOM 539 NZ LYS A 33 -10.366 19.354 -4.377 1.00 0.00 N ATOM 0 H LYS A 33 -8.962 21.736 2.328 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.950 20.439 0.540 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.223 22.971 0.322 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.790 22.278 -0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.671 21.897 -1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.426 22.823 -2.151 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.090 20.706 -2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.405 19.807 -1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.926 20.510 -3.549 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.632 21.445 -4.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.171 18.870 -4.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.679 19.628 -5.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.910 18.713 -3.697 1.00 0.00 H new ATOM 553 N TRP A 34 -9.322 18.537 0.195 1.00 0.00 N ATOM 554 CA TRP A 34 -8.350 17.514 -0.142 1.00 0.00 C ATOM 555 C TRP A 34 -8.247 17.426 -1.667 1.00 0.00 C ATOM 556 O TRP A 34 -9.206 17.766 -2.364 1.00 0.00 O ATOM 557 CB TRP A 34 -8.722 16.165 0.468 1.00 0.00 C ATOM 558 CG TRP A 34 -8.764 16.053 1.961 1.00 0.00 C ATOM 559 CD1 TRP A 34 -9.727 16.543 2.771 1.00 0.00 C ATOM 560 CD2 TRP A 34 -7.808 15.395 2.840 1.00 0.00 C ATOM 561 NE1 TRP A 34 -9.439 16.238 4.087 1.00 0.00 N ATOM 562 CE2 TRP A 34 -8.260 15.525 4.190 1.00 0.00 C ATOM 563 CE3 TRP A 34 -6.601 14.699 2.624 1.00 0.00 C ATOM 564 CZ2 TRP A 34 -7.549 14.987 5.278 1.00 0.00 C ATOM 565 CZ3 TRP A 34 -5.879 14.164 3.708 1.00 0.00 C ATOM 566 CH2 TRP A 34 -6.348 14.305 5.026 1.00 0.00 C ATOM 0 H TRP A 34 -10.289 18.216 0.254 1.00 0.00 H new ATOM 0 HA TRP A 34 -7.380 17.785 0.275 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -9.703 15.885 0.085 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -8.013 15.425 0.098 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -10.595 17.093 2.439 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -10.022 16.505 4.881 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.227 14.575 1.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -7.919 15.096 6.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -4.953 13.639 3.525 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -5.783 13.888 5.846 1.00 0.00 H new ATOM 577 N GLN A 35 -7.100 16.977 -2.200 1.00 0.00 N ATOM 578 CA GLN A 35 -6.920 16.867 -3.654 1.00 0.00 C ATOM 579 C GLN A 35 -7.432 15.525 -4.180 1.00 0.00 C ATOM 580 O GLN A 35 -7.443 15.318 -5.390 1.00 0.00 O ATOM 581 CB GLN A 35 -5.429 17.129 -4.071 1.00 0.00 C ATOM 582 CG GLN A 35 -4.500 15.909 -3.961 1.00 0.00 C ATOM 583 CD GLN A 35 -4.202 15.565 -2.513 1.00 0.00 C ATOM 584 OE1 GLN A 35 -3.302 16.152 -1.920 1.00 0.00 O ATOM 585 NE2 GLN A 35 -4.961 14.635 -1.935 1.00 0.00 N ATOM 0 H GLN A 35 -6.291 16.687 -1.651 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.523 17.646 -4.120 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.413 17.487 -5.100 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.029 17.929 -3.448 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.963 15.053 -4.452 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.567 16.112 -4.487 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.698 14.174 -2.469 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.805 14.384 -0.959 1.00 0.00 H new ATOM 594 N ASP A 36 -7.852 14.630 -3.276 1.00 0.00 N ATOM 595 CA ASP A 36 -8.371 13.312 -3.585 1.00 0.00 C ATOM 596 C ASP A 36 -9.725 13.161 -2.900 1.00 0.00 C ATOM 597 O ASP A 36 -10.754 13.047 -3.566 1.00 0.00 O ATOM 598 CB ASP A 36 -7.353 12.241 -3.115 1.00 0.00 C ATOM 599 CG ASP A 36 -7.844 10.847 -3.482 1.00 0.00 C ATOM 600 OD1 ASP A 36 -8.583 10.271 -2.654 1.00 0.00 O ATOM 601 OD2 ASP A 36 -7.474 10.386 -4.581 1.00 0.00 O ATOM 0 H ASP A 36 -7.835 14.822 -2.274 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.512 13.179 -4.658 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.383 12.425 -3.576 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.212 12.312 -2.036 1.00 0.00 H new ATOM 606 N LEU A 37 -9.728 13.197 -1.564 1.00 0.00 N ATOM 607 CA LEU A 37 -10.947 13.088 -0.775 1.00 0.00 C ATOM 608 C LEU A 37 -11.933 14.234 -1.052 1.00 0.00 C ATOM 609 O LEU A 37 -13.084 14.137 -0.635 1.00 0.00 O ATOM 610 CB LEU A 37 -10.658 12.975 0.719 1.00 0.00 C ATOM 611 CG LEU A 37 -9.993 11.667 1.231 1.00 0.00 C ATOM 612 CD1 LEU A 37 -8.539 11.559 0.779 1.00 0.00 C ATOM 613 CD2 LEU A 37 -10.067 11.650 2.749 1.00 0.00 C ATOM 0 H LEU A 37 -8.882 13.303 -1.004 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.425 12.162 -1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.016 13.810 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.600 13.103 1.253 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.527 10.814 0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.109 10.632 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.495 11.562 -0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.973 12.406 1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.604 10.738 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.540 12.516 3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.110 11.684 3.063 1.00 0.00 H new ATOM 625 N SER A 38 -11.511 15.300 -1.751 1.00 0.00 N ATOM 626 CA SER A 38 -12.367 16.435 -2.105 1.00 0.00 C ATOM 627 C SER A 38 -12.753 17.229 -0.850 1.00 0.00 C ATOM 628 O SER A 38 -12.032 17.191 0.150 1.00 0.00 O ATOM 629 CB SER A 38 -13.543 15.912 -2.985 1.00 0.00 C ATOM 630 OG SER A 38 -12.977 15.324 -4.142 1.00 0.00 O ATOM 0 H SER A 38 -10.553 15.395 -2.089 1.00 0.00 H new ATOM 0 HA SER A 38 -11.845 17.169 -2.718 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.138 15.183 -2.436 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.211 16.729 -3.257 1.00 0.00 H new ATOM 0 HG SER A 38 -13.692 14.982 -4.718 1.00 0.00 H new ATOM 636 N GLU A 39 -13.855 17.983 -0.912 1.00 0.00 N ATOM 637 CA GLU A 39 -14.325 18.830 0.169 1.00 0.00 C ATOM 638 C GLU A 39 -14.652 18.037 1.441 1.00 0.00 C ATOM 639 O GLU A 39 -15.376 17.045 1.374 1.00 0.00 O ATOM 640 CB GLU A 39 -15.560 19.664 -0.312 1.00 0.00 C ATOM 641 CG GLU A 39 -16.709 18.790 -0.843 1.00 0.00 C ATOM 642 CD GLU A 39 -17.826 19.657 -1.411 1.00 0.00 C ATOM 643 OE1 GLU A 39 -17.672 20.082 -2.577 1.00 0.00 O ATOM 644 OE2 GLU A 39 -18.802 19.889 -0.668 1.00 0.00 O ATOM 0 H GLU A 39 -14.453 18.016 -1.738 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.515 19.509 0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.926 20.271 0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -15.243 20.352 -1.096 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -16.335 18.118 -1.615 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -17.099 18.166 -0.039 1.00 0.00 H new ATOM 651 N LYS A 40 -14.136 18.477 2.600 1.00 0.00 N ATOM 652 CA LYS A 40 -14.392 17.868 3.902 1.00 0.00 C ATOM 653 C LYS A 40 -14.468 19.036 4.881 1.00 0.00 C ATOM 654 O LYS A 40 -13.868 20.082 4.629 1.00 0.00 O ATOM 655 CB LYS A 40 -13.296 16.877 4.338 1.00 0.00 C ATOM 656 CG LYS A 40 -13.685 15.402 4.158 1.00 0.00 C ATOM 657 CD LYS A 40 -13.558 14.927 2.706 1.00 0.00 C ATOM 658 CE LYS A 40 -14.816 14.189 2.223 1.00 0.00 C ATOM 659 NZ LYS A 40 -14.906 12.822 2.767 1.00 0.00 N ATOM 0 H LYS A 40 -13.516 19.285 2.652 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.308 17.278 3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.390 17.077 3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -13.056 17.054 5.386 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.052 14.784 4.794 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -14.712 15.258 4.494 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -13.372 15.785 2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.695 14.267 2.616 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.701 14.754 2.517 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -14.813 14.145 1.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -15.770 12.364 2.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -14.075 12.273 2.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.936 12.863 3.806 1.00 0.00 H new ATOM 673 N VAL A 41 -15.208 18.882 5.983 1.00 0.00 N ATOM 674 CA VAL A 41 -15.388 19.944 6.941 1.00 0.00 C ATOM 675 C VAL A 41 -14.875 19.551 8.323 1.00 0.00 C ATOM 676 O VAL A 41 -14.897 18.366 8.653 1.00 0.00 O ATOM 677 CB VAL A 41 -16.853 20.378 6.896 1.00 0.00 C ATOM 678 CG1 VAL A 41 -17.395 20.404 5.456 1.00 0.00 C ATOM 679 CG2 VAL A 41 -17.746 19.541 7.815 1.00 0.00 C ATOM 0 H VAL A 41 -15.692 18.017 6.223 1.00 0.00 H new ATOM 0 HA VAL A 41 -14.781 20.811 6.682 1.00 0.00 H new ATOM 0 HB VAL A 41 -16.881 21.398 7.279 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -18.439 20.717 5.466 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -16.811 21.106 4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -17.319 19.408 5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -18.775 19.894 7.742 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -17.699 18.495 7.514 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -17.401 19.638 8.844 1.00 0.00 H new ATOM 689 N VAL A 42 -14.414 20.528 9.122 1.00 0.00 N ATOM 690 CA VAL A 42 -13.908 20.293 10.465 1.00 0.00 C ATOM 691 C VAL A 42 -14.182 21.540 11.295 1.00 0.00 C ATOM 692 O VAL A 42 -14.478 22.607 10.760 1.00 0.00 O ATOM 693 CB VAL A 42 -12.403 19.929 10.487 1.00 0.00 C ATOM 694 CG1 VAL A 42 -12.079 18.704 9.635 1.00 0.00 C ATOM 695 CG2 VAL A 42 -11.490 21.082 10.064 1.00 0.00 C ATOM 0 H VAL A 42 -14.386 21.508 8.842 1.00 0.00 H new ATOM 0 HA VAL A 42 -14.422 19.430 10.887 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.202 19.699 11.533 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.010 18.496 9.688 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.635 17.844 10.008 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.360 18.896 8.600 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.451 20.756 10.103 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.737 21.387 9.047 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -11.631 21.925 10.740 1.00 0.00 H new ATOM 705 N TYR A 43 -14.088 21.405 12.615 1.00 0.00 N ATOM 706 CA TYR A 43 -14.332 22.461 13.558 1.00 0.00 C ATOM 707 C TYR A 43 -13.001 22.799 14.216 1.00 0.00 C ATOM 708 O TYR A 43 -12.155 21.914 14.334 1.00 0.00 O ATOM 709 CB TYR A 43 -15.380 21.956 14.536 1.00 0.00 C ATOM 710 CG TYR A 43 -16.585 21.300 13.782 1.00 0.00 C ATOM 711 CD1 TYR A 43 -16.522 19.980 13.259 1.00 0.00 C ATOM 712 CD2 TYR A 43 -17.794 21.999 13.559 1.00 0.00 C ATOM 713 CE1 TYR A 43 -17.600 19.403 12.572 1.00 0.00 C ATOM 714 CE2 TYR A 43 -18.873 21.419 12.876 1.00 0.00 C ATOM 715 CZ TYR A 43 -18.782 20.118 12.378 1.00 0.00 C ATOM 716 OH TYR A 43 -19.830 19.555 11.712 1.00 0.00 O ATOM 0 H TYR A 43 -13.831 20.524 13.059 1.00 0.00 H new ATOM 0 HA TYR A 43 -14.715 23.375 13.105 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -14.930 21.229 15.212 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -15.738 22.783 15.150 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -15.618 19.405 13.394 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -17.889 23.010 13.926 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -17.514 18.396 12.190 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -19.782 21.984 12.734 1.00 0.00 H new ATOM 0 HH TYR A 43 -20.572 20.194 11.670 1.00 0.00 H new ATOM 726 N ARG A 44 -12.808 24.062 14.611 1.00 0.00 N ATOM 727 CA ARG A 44 -11.558 24.506 15.214 1.00 0.00 C ATOM 728 C ARG A 44 -11.815 25.434 16.402 1.00 0.00 C ATOM 729 O ARG A 44 -12.713 26.265 16.325 1.00 0.00 O ATOM 730 CB ARG A 44 -10.713 25.232 14.152 1.00 0.00 C ATOM 731 CG ARG A 44 -9.308 24.662 13.949 1.00 0.00 C ATOM 732 CD ARG A 44 -9.326 23.298 13.261 1.00 0.00 C ATOM 733 NE ARG A 44 -9.253 22.198 14.233 1.00 0.00 N ATOM 734 CZ ARG A 44 -8.915 20.952 13.891 1.00 0.00 C ATOM 735 NH1 ARG A 44 -8.952 20.578 12.608 1.00 0.00 N ATOM 736 NH2 ARG A 44 -8.495 20.084 14.812 1.00 0.00 N ATOM 0 H ARG A 44 -13.511 24.796 14.521 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.020 23.633 15.583 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.244 25.199 13.201 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -10.627 26.282 14.432 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.719 25.359 13.353 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.812 24.572 14.916 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -10.236 23.201 12.669 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.487 23.228 12.569 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.470 22.395 15.210 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.238 21.244 11.891 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.694 19.626 12.347 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.429 20.369 15.789 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.239 19.135 14.539 1.00 0.00 H new ATOM 750 N ARG A 45 -11.026 25.325 17.483 1.00 0.00 N ATOM 751 CA ARG A 45 -11.120 26.180 18.659 1.00 0.00 C ATOM 752 C ARG A 45 -9.774 26.878 18.903 1.00 0.00 C ATOM 753 O ARG A 45 -8.723 26.405 18.477 1.00 0.00 O ATOM 754 CB ARG A 45 -11.599 25.374 19.877 1.00 0.00 C ATOM 755 CG ARG A 45 -11.905 26.276 21.085 1.00 0.00 C ATOM 756 CD ARG A 45 -12.539 25.487 22.241 1.00 0.00 C ATOM 757 NE ARG A 45 -12.348 26.150 23.540 1.00 0.00 N ATOM 758 CZ ARG A 45 -12.892 27.309 23.951 1.00 0.00 C ATOM 759 NH1 ARG A 45 -13.720 28.012 23.167 1.00 0.00 N ATOM 760 NH2 ARG A 45 -12.604 27.767 25.176 1.00 0.00 N ATOM 0 H ARG A 45 -10.291 24.622 17.557 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.865 26.957 18.488 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.493 24.811 19.610 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.835 24.647 20.153 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.984 26.748 21.429 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -12.578 27.077 20.779 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -13.605 25.364 22.052 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -12.104 24.488 22.278 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.734 25.678 24.204 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -13.951 27.671 22.234 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.119 28.888 23.503 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.979 27.238 25.784 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.010 28.645 25.501 1.00 0.00 H new ATOM 774 N PHE A 46 -9.799 28.017 19.600 1.00 0.00 N ATOM 775 CA PHE A 46 -8.628 28.822 19.926 1.00 0.00 C ATOM 776 C PHE A 46 -7.498 27.973 20.496 1.00 0.00 C ATOM 777 O PHE A 46 -6.366 28.007 20.023 1.00 0.00 O ATOM 778 CB PHE A 46 -9.015 29.900 20.953 1.00 0.00 C ATOM 779 CG PHE A 46 -10.343 30.583 20.705 1.00 0.00 C ATOM 780 CD1 PHE A 46 -10.391 31.705 19.863 1.00 0.00 C ATOM 781 CD2 PHE A 46 -11.520 30.101 21.311 1.00 0.00 C ATOM 782 CE1 PHE A 46 -11.615 32.350 19.618 1.00 0.00 C ATOM 783 CE2 PHE A 46 -12.744 30.746 21.064 1.00 0.00 C ATOM 784 CZ PHE A 46 -12.792 31.869 20.218 1.00 0.00 C ATOM 0 H PHE A 46 -10.666 28.414 19.963 1.00 0.00 H new ATOM 0 HA PHE A 46 -8.275 29.283 19.003 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -9.039 29.444 21.943 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -8.233 30.659 20.971 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -9.486 32.073 19.403 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -11.482 29.240 21.962 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -11.652 33.213 18.970 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -13.649 30.379 21.524 1.00 0.00 H new ATOM 0 HZ PHE A 46 -13.734 32.362 20.029 1.00 0.00 H new ATOM 794 N THR A 47 -7.852 27.213 21.529 1.00 0.00 N ATOM 795 CA THR A 47 -6.975 26.326 22.274 1.00 0.00 C ATOM 796 C THR A 47 -6.376 25.234 21.387 1.00 0.00 C ATOM 797 O THR A 47 -5.345 24.676 21.750 1.00 0.00 O ATOM 798 CB THR A 47 -7.648 25.802 23.568 1.00 0.00 C ATOM 799 OG1 THR A 47 -7.437 24.416 23.751 1.00 0.00 O ATOM 800 CG2 THR A 47 -9.159 26.052 23.661 1.00 0.00 C ATOM 0 H THR A 47 -8.808 27.202 21.884 1.00 0.00 H new ATOM 0 HA THR A 47 -6.120 26.910 22.615 1.00 0.00 H new ATOM 0 HB THR A 47 -7.161 26.384 24.351 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.875 24.125 24.578 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.537 25.650 24.601 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.354 27.124 23.621 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.661 25.560 22.828 1.00 0.00 H new ATOM 808 N GLU A 48 -6.983 24.939 20.233 1.00 0.00 N ATOM 809 CA GLU A 48 -6.489 23.961 19.296 1.00 0.00 C ATOM 810 C GLU A 48 -5.477 24.651 18.408 1.00 0.00 C ATOM 811 O GLU A 48 -4.412 24.093 18.174 1.00 0.00 O ATOM 812 CB GLU A 48 -7.589 23.449 18.380 1.00 0.00 C ATOM 813 CG GLU A 48 -8.600 22.437 18.924 1.00 0.00 C ATOM 814 CD GLU A 48 -9.067 21.605 17.739 1.00 0.00 C ATOM 815 OE1 GLU A 48 -9.871 22.143 16.953 1.00 0.00 O ATOM 816 OE2 GLU A 48 -8.518 20.501 17.541 1.00 0.00 O ATOM 0 H GLU A 48 -7.847 25.389 19.931 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.073 23.126 19.861 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.149 24.314 18.024 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.110 22.999 17.510 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.143 21.804 19.685 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.441 22.945 19.395 1.00 0.00 H new ATOM 823 N ILE A 49 -5.794 25.855 17.913 1.00 0.00 N ATOM 824 CA ILE A 49 -4.821 26.571 17.097 1.00 0.00 C ATOM 825 C ILE A 49 -3.556 26.736 17.948 1.00 0.00 C ATOM 826 O ILE A 49 -2.449 26.492 17.472 1.00 0.00 O ATOM 827 CB ILE A 49 -5.372 27.907 16.550 1.00 0.00 C ATOM 828 CG1 ILE A 49 -6.283 27.680 15.322 1.00 0.00 C ATOM 829 CG2 ILE A 49 -4.210 28.836 16.162 1.00 0.00 C ATOM 830 CD1 ILE A 49 -7.754 27.417 15.668 1.00 0.00 C ATOM 0 H ILE A 49 -6.683 26.334 18.058 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.586 26.002 16.198 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.967 28.370 17.338 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.225 28.555 14.674 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.899 26.835 14.751 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.608 29.775 15.778 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.595 29.035 17.039 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.603 28.358 15.394 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.323 27.269 14.750 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.828 26.524 16.289 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.158 28.271 16.211 1.00 0.00 H new ATOM 842 N TYR A 50 -3.730 27.121 19.216 1.00 0.00 N ATOM 843 CA TYR A 50 -2.632 27.300 20.149 1.00 0.00 C ATOM 844 C TYR A 50 -1.931 25.989 20.459 1.00 0.00 C ATOM 845 O TYR A 50 -0.719 25.930 20.336 1.00 0.00 O ATOM 846 CB TYR A 50 -3.132 27.934 21.460 1.00 0.00 C ATOM 847 CG TYR A 50 -4.010 29.202 21.314 1.00 0.00 C ATOM 848 CD1 TYR A 50 -3.935 30.041 20.170 1.00 0.00 C ATOM 849 CD2 TYR A 50 -4.933 29.560 22.328 1.00 0.00 C ATOM 850 CE1 TYR A 50 -4.740 31.186 20.057 1.00 0.00 C ATOM 851 CE2 TYR A 50 -5.735 30.708 22.210 1.00 0.00 C ATOM 852 CZ TYR A 50 -5.637 31.524 21.075 1.00 0.00 C ATOM 853 OH TYR A 50 -6.416 32.637 20.961 1.00 0.00 O ATOM 0 H TYR A 50 -4.646 27.317 19.619 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.914 27.966 19.670 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.702 27.184 22.008 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.265 28.186 22.071 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.248 29.794 19.374 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.022 28.939 23.207 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.666 31.809 19.178 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.429 30.962 22.997 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.139 32.599 21.621 1.00 0.00 H new ATOM 863 N GLU A 51 -2.660 24.951 20.873 1.00 0.00 N ATOM 864 CA GLU A 51 -2.055 23.664 21.213 1.00 0.00 C ATOM 865 C GLU A 51 -1.284 23.111 20.017 1.00 0.00 C ATOM 866 O GLU A 51 -0.144 22.679 20.162 1.00 0.00 O ATOM 867 CB GLU A 51 -3.095 22.667 21.745 1.00 0.00 C ATOM 868 CG GLU A 51 -2.458 21.335 22.158 1.00 0.00 C ATOM 869 CD GLU A 51 -3.503 20.403 22.760 1.00 0.00 C ATOM 870 OE1 GLU A 51 -3.707 20.500 23.990 1.00 0.00 O ATOM 871 OE2 GLU A 51 -4.088 19.623 21.978 1.00 0.00 O ATOM 0 H GLU A 51 -3.674 24.978 20.981 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.345 23.823 22.024 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.610 23.103 22.601 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.848 22.486 20.978 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.998 20.862 21.291 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.663 21.515 22.882 1.00 0.00 H new ATOM 878 N PHE A 52 -1.903 23.150 18.835 1.00 0.00 N ATOM 879 CA PHE A 52 -1.294 22.694 17.593 1.00 0.00 C ATOM 880 C PHE A 52 0.015 23.407 17.388 1.00 0.00 C ATOM 881 O PHE A 52 1.071 22.795 17.269 1.00 0.00 O ATOM 882 CB PHE A 52 -2.128 23.039 16.343 1.00 0.00 C ATOM 883 CG PHE A 52 -1.333 22.767 15.030 1.00 0.00 C ATOM 884 CD1 PHE A 52 -0.489 23.707 14.360 1.00 0.00 C ATOM 885 CD2 PHE A 52 -1.442 21.485 14.465 1.00 0.00 C ATOM 886 CE1 PHE A 52 0.182 23.338 13.173 1.00 0.00 C ATOM 887 CE2 PHE A 52 -0.781 21.131 13.285 1.00 0.00 C ATOM 888 CZ PHE A 52 0.031 22.061 12.628 1.00 0.00 C ATOM 0 H PHE A 52 -2.852 23.504 18.717 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.199 21.613 17.694 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.045 22.450 16.343 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.423 24.088 16.380 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.364 24.701 14.762 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.057 20.748 14.959 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.822 24.054 12.679 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.898 20.137 12.880 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.535 21.795 11.711 1.00 0.00 H new ATOM 898 N HIS A 53 -0.101 24.728 17.299 1.00 0.00 N ATOM 899 CA HIS A 53 1.030 25.562 17.008 1.00 0.00 C ATOM 900 C HIS A 53 2.132 25.387 18.025 1.00 0.00 C ATOM 901 O HIS A 53 3.312 25.324 17.690 1.00 0.00 O ATOM 902 CB HIS A 53 0.559 26.995 16.834 1.00 0.00 C ATOM 903 CG HIS A 53 1.565 27.787 16.069 1.00 0.00 C ATOM 904 ND1 HIS A 53 1.898 27.332 14.828 1.00 0.00 N ATOM 905 CD2 HIS A 53 2.310 28.927 16.252 1.00 0.00 C ATOM 906 CE1 HIS A 53 2.774 28.160 14.285 1.00 0.00 C ATOM 907 NE2 HIS A 53 3.085 29.168 15.110 1.00 0.00 N ATOM 0 H HIS A 53 -0.977 25.234 17.427 1.00 0.00 H new ATOM 0 HA HIS A 53 1.486 25.257 16.066 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.397 27.009 16.311 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.395 27.451 17.810 1.00 0.00 H new ATOM 0 HD1 HIS A 53 1.530 26.488 14.389 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.300 29.542 17.139 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.189 28.038 13.295 1.00 0.00 H new ATOM 915 N LYS A 54 1.708 25.274 19.274 1.00 0.00 N ATOM 916 CA LYS A 54 2.634 25.050 20.370 1.00 0.00 C ATOM 917 C LYS A 54 3.360 23.723 20.173 1.00 0.00 C ATOM 918 O LYS A 54 4.561 23.627 20.409 1.00 0.00 O ATOM 919 CB LYS A 54 1.915 25.095 21.723 1.00 0.00 C ATOM 920 CG LYS A 54 1.662 26.539 22.171 1.00 0.00 C ATOM 921 CD LYS A 54 0.744 26.555 23.398 1.00 0.00 C ATOM 922 CE LYS A 54 0.503 27.994 23.869 1.00 0.00 C ATOM 923 NZ LYS A 54 -0.395 28.044 25.038 1.00 0.00 N ATOM 0 H LYS A 54 0.729 25.334 19.553 1.00 0.00 H new ATOM 0 HA LYS A 54 3.372 25.853 20.371 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.967 24.563 21.651 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.514 24.579 22.473 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.608 27.026 22.408 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.207 27.106 21.359 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.207 26.082 23.154 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.193 25.973 24.203 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.456 28.458 24.123 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.072 28.576 23.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.534 29.033 25.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.313 27.624 24.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.028 27.510 25.824 1.00 0.00 H new ATOM 937 N THR A 55 2.632 22.699 19.731 1.00 0.00 N ATOM 938 CA THR A 55 3.208 21.377 19.525 1.00 0.00 C ATOM 939 C THR A 55 4.166 21.405 18.358 1.00 0.00 C ATOM 940 O THR A 55 5.237 20.814 18.433 1.00 0.00 O ATOM 941 CB THR A 55 2.101 20.329 19.393 1.00 0.00 C ATOM 942 OG1 THR A 55 1.311 20.318 20.564 1.00 0.00 O ATOM 943 CG2 THR A 55 2.644 18.925 19.162 1.00 0.00 C ATOM 0 H THR A 55 1.639 22.763 19.509 1.00 0.00 H new ATOM 0 HA THR A 55 3.796 21.085 20.395 1.00 0.00 H new ATOM 0 HB THR A 55 1.507 20.608 18.523 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.718 21.098 20.566 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.814 18.224 19.076 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.230 18.908 18.243 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.277 18.637 20.001 1.00 0.00 H new ATOM 951 N LEU A 56 3.806 22.111 17.294 1.00 0.00 N ATOM 952 CA LEU A 56 4.678 22.239 16.150 1.00 0.00 C ATOM 953 C LEU A 56 5.991 22.830 16.623 1.00 0.00 C ATOM 954 O LEU A 56 7.048 22.287 16.338 1.00 0.00 O ATOM 955 CB LEU A 56 4.018 23.129 15.080 1.00 0.00 C ATOM 956 CG LEU A 56 4.661 23.225 13.694 1.00 0.00 C ATOM 957 CD1 LEU A 56 5.998 23.936 13.800 1.00 0.00 C ATOM 958 CD2 LEU A 56 4.858 21.908 12.919 1.00 0.00 C ATOM 0 H LEU A 56 2.916 22.601 17.206 1.00 0.00 H new ATOM 0 HA LEU A 56 4.862 21.265 15.696 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.995 22.777 14.944 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.956 24.139 15.485 1.00 0.00 H new ATOM 0 HG LEU A 56 3.930 23.782 13.108 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.454 24.003 12.812 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.846 24.939 14.198 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.656 23.377 14.466 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.322 22.119 11.955 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.501 21.241 13.493 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.891 21.432 12.759 1.00 0.00 H new ATOM 970 N LYS A 57 5.920 23.937 17.351 1.00 0.00 N ATOM 971 CA LYS A 57 7.103 24.613 17.832 1.00 0.00 C ATOM 972 C LYS A 57 7.892 23.816 18.868 1.00 0.00 C ATOM 973 O LYS A 57 9.095 24.021 19.007 1.00 0.00 O ATOM 974 CB LYS A 57 6.673 25.976 18.366 1.00 0.00 C ATOM 975 CG LYS A 57 6.159 26.853 17.209 1.00 0.00 C ATOM 976 CD LYS A 57 5.948 28.311 17.639 1.00 0.00 C ATOM 977 CE LYS A 57 6.473 29.307 16.596 1.00 0.00 C ATOM 978 NZ LYS A 57 5.920 29.081 15.247 1.00 0.00 N ATOM 0 H LYS A 57 5.043 24.384 17.620 1.00 0.00 H new ATOM 0 HA LYS A 57 7.800 24.728 17.002 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.891 25.853 19.116 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.513 26.465 18.859 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.871 26.818 16.384 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.219 26.446 16.836 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.885 28.488 17.805 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.453 28.484 18.590 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.230 30.320 16.916 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.560 29.238 16.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.245 29.834 14.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.243 28.160 14.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.881 29.090 15.292 1.00 0.00 H new ATOM 992 N GLU A 58 7.226 22.913 19.585 1.00 0.00 N ATOM 993 CA GLU A 58 7.857 22.085 20.594 1.00 0.00 C ATOM 994 C GLU A 58 8.625 20.977 19.892 1.00 0.00 C ATOM 995 O GLU A 58 9.824 20.819 20.117 1.00 0.00 O ATOM 996 CB GLU A 58 6.815 21.491 21.573 1.00 0.00 C ATOM 997 CG GLU A 58 6.339 22.604 22.556 1.00 0.00 C ATOM 998 CD GLU A 58 7.196 22.606 23.815 1.00 0.00 C ATOM 999 OE1 GLU A 58 6.927 21.749 24.684 1.00 0.00 O ATOM 1000 OE2 GLU A 58 8.109 23.457 23.884 1.00 0.00 O ATOM 0 H GLU A 58 6.227 22.739 19.477 1.00 0.00 H new ATOM 0 HA GLU A 58 8.537 22.696 21.187 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.966 21.091 21.019 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.252 20.662 22.129 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.397 23.577 22.068 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.294 22.441 22.820 1.00 0.00 H new ATOM 1007 N MET A 59 7.938 20.209 19.038 1.00 0.00 N ATOM 1008 CA MET A 59 8.578 19.129 18.320 1.00 0.00 C ATOM 1009 C MET A 59 9.645 19.676 17.374 1.00 0.00 C ATOM 1010 O MET A 59 10.781 19.207 17.386 1.00 0.00 O ATOM 1011 CB MET A 59 7.552 18.326 17.527 1.00 0.00 C ATOM 1012 CG MET A 59 6.333 17.742 18.266 1.00 0.00 C ATOM 1013 SD MET A 59 5.143 16.885 17.193 1.00 0.00 S ATOM 1014 CE MET A 59 4.750 18.182 15.989 1.00 0.00 C ATOM 0 H MET A 59 6.945 20.324 18.836 1.00 0.00 H new ATOM 0 HA MET A 59 9.051 18.472 19.050 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.178 18.966 16.728 1.00 0.00 H new ATOM 0 HB3 MET A 59 8.077 17.498 17.052 1.00 0.00 H new ATOM 0 HG2 MET A 59 6.685 17.045 19.027 1.00 0.00 H new ATOM 0 HG3 MET A 59 5.818 18.549 18.787 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.016 17.806 15.276 1.00 0.00 H new ATOM 0 HE2 MET A 59 4.341 19.049 16.508 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.656 18.472 15.458 1.00 0.00 H new ATOM 1024 N PHE A 60 9.273 20.667 16.558 1.00 0.00 N ATOM 1025 CA PHE A 60 10.137 21.322 15.609 1.00 0.00 C ATOM 1026 C PHE A 60 10.617 22.659 16.230 1.00 0.00 C ATOM 1027 O PHE A 60 9.914 23.656 16.072 1.00 0.00 O ATOM 1028 CB PHE A 60 9.341 21.603 14.332 1.00 0.00 C ATOM 1029 CG PHE A 60 8.710 20.360 13.621 1.00 0.00 C ATOM 1030 CD1 PHE A 60 9.483 19.550 12.751 1.00 0.00 C ATOM 1031 CD2 PHE A 60 7.352 19.975 13.801 1.00 0.00 C ATOM 1032 CE1 PHE A 60 8.943 18.433 12.091 1.00 0.00 C ATOM 1033 CE2 PHE A 60 6.812 18.859 13.129 1.00 0.00 C ATOM 1034 CZ PHE A 60 7.603 18.087 12.275 1.00 0.00 C ATOM 0 H PHE A 60 8.323 21.039 16.551 1.00 0.00 H new ATOM 0 HA PHE A 60 10.996 20.695 15.370 1.00 0.00 H new ATOM 0 HB2 PHE A 60 8.540 22.301 14.575 1.00 0.00 H new ATOM 0 HB3 PHE A 60 9.998 22.106 13.623 1.00 0.00 H new ATOM 0 HD1 PHE A 60 10.521 19.800 12.590 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.723 20.549 14.465 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.567 17.840 11.439 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.774 18.598 13.276 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.183 17.233 11.764 1.00 0.00 H new ATOM 1044 N PRO A 61 11.771 22.780 16.919 1.00 0.00 N ATOM 1045 CA PRO A 61 12.183 24.063 17.475 1.00 0.00 C ATOM 1046 C PRO A 61 12.736 24.968 16.375 1.00 0.00 C ATOM 1047 O PRO A 61 12.844 26.174 16.555 1.00 0.00 O ATOM 1048 CB PRO A 61 13.229 23.740 18.536 1.00 0.00 C ATOM 1049 CG PRO A 61 13.904 22.494 17.978 1.00 0.00 C ATOM 1050 CD PRO A 61 12.786 21.781 17.213 1.00 0.00 C ATOM 0 HA PRO A 61 11.349 24.608 17.917 1.00 0.00 H new ATOM 0 HB2 PRO A 61 13.937 24.558 18.668 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.774 23.552 19.508 1.00 0.00 H new ATOM 0 HG2 PRO A 61 14.736 22.750 17.322 1.00 0.00 H new ATOM 0 HG3 PRO A 61 14.306 21.867 18.774 1.00 0.00 H new ATOM 0 HD2 PRO A 61 13.169 21.338 16.294 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.368 20.969 17.808 1.00 0.00 H new ATOM 1058 N ILE A 62 13.070 24.382 15.223 1.00 0.00 N ATOM 1059 CA ILE A 62 13.579 25.062 14.053 1.00 0.00 C ATOM 1060 C ILE A 62 12.472 25.914 13.469 1.00 0.00 C ATOM 1061 O ILE A 62 12.700 27.071 13.126 1.00 0.00 O ATOM 1062 CB ILE A 62 14.039 24.035 13.020 1.00 0.00 C ATOM 1063 CG1 ILE A 62 15.046 22.998 13.551 1.00 0.00 C ATOM 1064 CG2 ILE A 62 14.511 24.690 11.735 1.00 0.00 C ATOM 1065 CD1 ILE A 62 16.296 23.619 14.186 1.00 0.00 C ATOM 0 H ILE A 62 12.985 23.375 15.085 1.00 0.00 H new ATOM 0 HA ILE A 62 14.426 25.690 14.327 1.00 0.00 H new ATOM 0 HB ILE A 62 13.146 23.456 12.785 1.00 0.00 H new ATOM 0 HG12 ILE A 62 14.550 22.368 14.289 1.00 0.00 H new ATOM 0 HG13 ILE A 62 15.351 22.348 12.731 1.00 0.00 H new ATOM 0 HG21 ILE A 62 14.828 23.922 11.030 1.00 0.00 H new ATOM 0 HG22 ILE A 62 13.695 25.267 11.300 1.00 0.00 H new ATOM 0 HG23 ILE A 62 15.349 25.353 11.951 1.00 0.00 H new ATOM 0 HD11 ILE A 62 16.958 22.827 14.536 1.00 0.00 H new ATOM 0 HD12 ILE A 62 16.817 24.226 13.446 1.00 0.00 H new ATOM 0 HD13 ILE A 62 16.003 24.246 15.028 1.00 0.00 H new ATOM 1077 N GLU A 63 11.256 25.363 13.372 1.00 0.00 N ATOM 1078 CA GLU A 63 10.163 26.191 12.865 1.00 0.00 C ATOM 1079 C GLU A 63 9.945 27.384 13.813 1.00 0.00 C ATOM 1080 O GLU A 63 9.300 28.372 13.466 1.00 0.00 O ATOM 1081 CB GLU A 63 8.872 25.392 12.637 1.00 0.00 C ATOM 1082 CG GLU A 63 7.838 26.195 11.807 1.00 0.00 C ATOM 1083 CD GLU A 63 6.933 27.133 12.615 1.00 0.00 C ATOM 1084 OE1 GLU A 63 6.805 26.933 13.843 1.00 0.00 O ATOM 1085 OE2 GLU A 63 6.366 28.058 11.996 1.00 0.00 O ATOM 0 H GLU A 63 11.014 24.404 13.622 1.00 0.00 H new ATOM 0 HA GLU A 63 10.447 26.567 11.882 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.107 24.460 12.122 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.436 25.123 13.599 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.374 26.785 11.064 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.209 25.491 11.262 1.00 0.00 H new ATOM 1092 N ALA A 64 10.506 27.284 15.023 1.00 0.00 N ATOM 1093 CA ALA A 64 10.390 28.265 16.065 1.00 0.00 C ATOM 1094 C ALA A 64 11.732 28.842 16.453 1.00 0.00 C ATOM 1095 O ALA A 64 11.957 29.197 17.609 1.00 0.00 O ATOM 1096 CB ALA A 64 9.692 27.580 17.236 1.00 0.00 C ATOM 0 H ALA A 64 11.071 26.480 15.296 1.00 0.00 H new ATOM 0 HA ALA A 64 9.807 29.121 15.725 1.00 0.00 H new ATOM 0 HB1 ALA A 64 9.580 28.288 18.057 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.709 27.232 16.920 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.288 26.730 17.568 1.00 0.00 H new ATOM 1102 N GLY A 65 12.617 28.938 15.465 1.00 0.00 N ATOM 1103 CA GLY A 65 13.929 29.468 15.695 1.00 0.00 C ATOM 1104 C GLY A 65 14.610 29.821 14.401 1.00 0.00 C ATOM 1105 O GLY A 65 15.070 30.950 14.244 1.00 0.00 O ATOM 0 H GLY A 65 12.436 28.652 14.503 1.00 0.00 H new ATOM 0 HA2 GLY A 65 13.860 30.354 16.326 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.529 28.737 16.237 1.00 0.00 H new ATOM 1109 N ALA A 66 14.655 28.863 13.472 1.00 0.00 N ATOM 1110 CA ALA A 66 15.250 29.128 12.181 1.00 0.00 C ATOM 1111 C ALA A 66 14.216 29.714 11.246 1.00 0.00 C ATOM 1112 O ALA A 66 14.570 30.327 10.247 1.00 0.00 O ATOM 1113 CB ALA A 66 15.910 27.893 11.578 1.00 0.00 C ATOM 0 H ALA A 66 14.292 27.918 13.595 1.00 0.00 H new ATOM 0 HA ALA A 66 16.047 29.857 12.327 1.00 0.00 H new ATOM 0 HB1 ALA A 66 16.341 28.147 10.609 1.00 0.00 H new ATOM 0 HB2 ALA A 66 16.697 27.539 12.244 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.164 27.108 11.449 1.00 0.00 H new ATOM 1119 N ILE A 67 12.942 29.521 11.589 1.00 0.00 N ATOM 1120 CA ILE A 67 11.830 30.026 10.794 1.00 0.00 C ATOM 1121 C ILE A 67 11.074 31.102 11.566 1.00 0.00 C ATOM 1122 O ILE A 67 10.028 31.569 11.139 1.00 0.00 O ATOM 1123 CB ILE A 67 10.977 28.840 10.325 1.00 0.00 C ATOM 1124 CG1 ILE A 67 11.927 27.761 9.746 1.00 0.00 C ATOM 1125 CG2 ILE A 67 9.950 29.246 9.261 1.00 0.00 C ATOM 1126 CD1 ILE A 67 11.257 26.580 9.047 1.00 0.00 C ATOM 0 H ILE A 67 12.656 29.011 12.425 1.00 0.00 H new ATOM 0 HA ILE A 67 12.179 30.527 9.891 1.00 0.00 H new ATOM 0 HB ILE A 67 10.418 28.457 11.179 1.00 0.00 H new ATOM 0 HG12 ILE A 67 12.601 28.242 9.037 1.00 0.00 H new ATOM 0 HG13 ILE A 67 12.543 27.374 10.558 1.00 0.00 H new ATOM 0 HG21 ILE A 67 9.371 28.372 8.962 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.280 30.002 9.671 1.00 0.00 H new ATOM 0 HG23 ILE A 67 10.468 29.653 8.392 1.00 0.00 H new ATOM 0 HD11 ILE A 67 12.020 25.892 8.684 1.00 0.00 H new ATOM 0 HD12 ILE A 67 10.607 26.062 9.751 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.666 26.943 8.206 1.00 0.00 H new ATOM 1138 N ASN A 68 11.618 31.547 12.696 1.00 0.00 N ATOM 1139 CA ASN A 68 10.971 32.585 13.485 1.00 0.00 C ATOM 1140 C ASN A 68 11.350 34.017 13.097 1.00 0.00 C ATOM 1141 O ASN A 68 10.434 34.798 12.865 1.00 0.00 O ATOM 1142 CB ASN A 68 11.098 32.305 14.992 1.00 0.00 C ATOM 1143 CG ASN A 68 9.719 32.126 15.621 1.00 0.00 C ATOM 1144 OD1 ASN A 68 9.387 32.789 16.599 1.00 0.00 O ATOM 1145 ND2 ASN A 68 8.890 31.263 15.029 1.00 0.00 N ATOM 0 H ASN A 68 12.499 31.206 13.081 1.00 0.00 H new ATOM 0 HA ASN A 68 9.912 32.530 13.233 1.00 0.00 H new ATOM 0 HB2 ASN A 68 11.696 31.408 15.152 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.622 33.128 15.478 1.00 0.00 H new ATOM 0 HD21 ASN A 68 7.944 31.137 15.388 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.203 30.730 14.218 1.00 0.00 H new ATOM 1152 N PRO A 69 12.625 34.420 13.014 1.00 0.00 N ATOM 1153 CA PRO A 69 12.993 35.784 12.676 1.00 0.00 C ATOM 1154 C PRO A 69 12.928 36.139 11.197 1.00 0.00 C ATOM 1155 O PRO A 69 12.296 37.124 10.817 1.00 0.00 O ATOM 1156 CB PRO A 69 14.393 35.965 13.268 1.00 0.00 C ATOM 1157 CG PRO A 69 14.998 34.559 13.179 1.00 0.00 C ATOM 1158 CD PRO A 69 13.794 33.618 13.293 1.00 0.00 C ATOM 0 HA PRO A 69 12.262 36.478 13.092 1.00 0.00 H new ATOM 0 HB2 PRO A 69 14.978 36.691 12.703 1.00 0.00 H new ATOM 0 HB3 PRO A 69 14.352 36.321 14.298 1.00 0.00 H new ATOM 0 HG2 PRO A 69 15.528 34.413 12.238 1.00 0.00 H new ATOM 0 HG3 PRO A 69 15.716 34.384 13.980 1.00 0.00 H new ATOM 0 HD2 PRO A 69 13.877 32.793 12.586 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.736 33.180 14.289 1.00 0.00 H new ATOM 1166 N GLU A 70 13.591 35.349 10.363 1.00 0.00 N ATOM 1167 CA GLU A 70 13.638 35.575 8.928 1.00 0.00 C ATOM 1168 C GLU A 70 12.242 35.479 8.333 1.00 0.00 C ATOM 1169 O GLU A 70 11.905 36.220 7.411 1.00 0.00 O ATOM 1170 CB GLU A 70 14.588 34.531 8.260 1.00 0.00 C ATOM 1171 CG GLU A 70 14.257 33.052 8.630 1.00 0.00 C ATOM 1172 CD GLU A 70 15.161 32.115 7.839 1.00 0.00 C ATOM 1173 OE1 GLU A 70 16.378 32.130 8.127 1.00 0.00 O ATOM 1174 OE2 GLU A 70 14.626 31.426 6.943 1.00 0.00 O ATOM 0 H GLU A 70 14.114 34.528 10.667 1.00 0.00 H new ATOM 0 HA GLU A 70 14.024 36.576 8.738 1.00 0.00 H new ATOM 0 HB2 GLU A 70 14.535 34.646 7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.615 34.748 8.553 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.398 32.893 9.699 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.211 32.837 8.411 1.00 0.00 H new ATOM 1181 N ASN A 71 11.442 34.568 8.881 1.00 0.00 N ATOM 1182 CA ASN A 71 10.081 34.331 8.460 1.00 0.00 C ATOM 1183 C ASN A 71 9.120 34.713 9.579 1.00 0.00 C ATOM 1184 O ASN A 71 8.160 33.987 9.836 1.00 0.00 O ATOM 1185 CB ASN A 71 9.956 32.851 8.054 1.00 0.00 C ATOM 1186 CG ASN A 71 8.775 32.609 7.126 1.00 0.00 C ATOM 1187 OD1 ASN A 71 8.680 33.197 6.054 1.00 0.00 O ATOM 1188 ND2 ASN A 71 7.870 31.726 7.537 1.00 0.00 N ATOM 0 H ASN A 71 11.738 33.964 9.648 1.00 0.00 H new ATOM 0 HA ASN A 71 9.821 34.948 7.600 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.875 32.532 7.561 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.845 32.238 8.949 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.060 31.517 6.953 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.986 31.258 8.436 1.00 0.00 H new ATOM 1195 N ARG A 72 9.370 35.870 10.215 1.00 0.00 N ATOM 1196 CA ARG A 72 8.514 36.433 11.270 1.00 0.00 C ATOM 1197 C ARG A 72 7.172 36.949 10.711 1.00 0.00 C ATOM 1198 O ARG A 72 6.829 38.121 10.856 1.00 0.00 O ATOM 1199 CB ARG A 72 9.267 37.541 12.035 1.00 0.00 C ATOM 1200 CG ARG A 72 8.648 37.861 13.402 1.00 0.00 C ATOM 1201 CD ARG A 72 9.508 38.918 14.104 1.00 0.00 C ATOM 1202 NE ARG A 72 8.998 39.228 15.446 1.00 0.00 N ATOM 1203 CZ ARG A 72 9.600 40.062 16.312 1.00 0.00 C ATOM 1204 NH1 ARG A 72 10.725 40.700 15.965 1.00 0.00 N ATOM 1205 NH2 ARG A 72 9.073 40.254 17.528 1.00 0.00 N ATOM 0 H ARG A 72 10.184 36.448 10.007 1.00 0.00 H new ATOM 0 HA ARG A 72 8.274 35.631 11.969 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.304 37.236 12.176 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.281 38.447 11.429 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.629 38.227 13.277 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.590 36.958 14.010 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.535 38.561 14.178 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.529 39.827 13.504 1.00 0.00 H new ATOM 0 HE ARG A 72 8.130 38.781 15.741 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.129 40.554 15.040 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.178 41.332 16.626 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.217 39.768 17.795 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.528 40.886 18.187 1.00 0.00 H new ATOM 1219 N ILE A 73 6.411 36.049 10.084 1.00 0.00 N ATOM 1220 CA ILE A 73 5.095 36.230 9.491 1.00 0.00 C ATOM 1221 C ILE A 73 4.119 35.303 10.233 1.00 0.00 C ATOM 1222 O ILE A 73 2.918 35.559 10.242 1.00 0.00 O ATOM 1223 CB ILE A 73 5.146 35.935 7.971 1.00 0.00 C ATOM 1224 CG1 ILE A 73 5.942 37.004 7.192 1.00 0.00 C ATOM 1225 CG2 ILE A 73 3.732 35.877 7.368 1.00 0.00 C ATOM 1226 CD1 ILE A 73 7.452 36.756 7.152 1.00 0.00 C ATOM 0 H ILE A 73 6.735 35.089 9.971 1.00 0.00 H new ATOM 0 HA ILE A 73 4.755 37.261 9.593 1.00 0.00 H new ATOM 0 HB ILE A 73 5.644 34.970 7.874 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.565 37.049 6.170 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.757 37.979 7.643 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.800 35.668 6.300 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.160 35.088 7.856 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.232 36.834 7.520 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.937 37.552 6.586 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.845 36.742 8.168 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.651 35.797 6.673 1.00 0.00 H new ATOM 1238 N ILE A 74 4.626 34.232 10.866 1.00 0.00 N ATOM 1239 CA ILE A 74 3.838 33.276 11.630 1.00 0.00 C ATOM 1240 C ILE A 74 3.067 34.071 12.700 1.00 0.00 C ATOM 1241 O ILE A 74 3.659 34.955 13.324 1.00 0.00 O ATOM 1242 CB ILE A 74 4.777 32.233 12.254 1.00 0.00 C ATOM 1243 CG1 ILE A 74 5.759 31.546 11.282 1.00 0.00 C ATOM 1244 CG2 ILE A 74 3.943 31.144 12.940 1.00 0.00 C ATOM 1245 CD1 ILE A 74 7.107 31.272 11.962 1.00 0.00 C ATOM 0 H ILE A 74 5.621 34.010 10.855 1.00 0.00 H new ATOM 0 HA ILE A 74 3.128 32.738 11.002 1.00 0.00 H new ATOM 0 HB ILE A 74 5.393 32.798 12.953 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.329 30.609 10.928 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.911 32.178 10.407 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.607 30.402 13.384 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.328 31.594 13.720 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.300 30.661 12.205 1.00 0.00 H new ATOM 0 HD11 ILE A 74 7.780 30.787 11.254 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.545 32.213 12.293 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.955 30.620 12.822 1.00 0.00 H new ATOM 1257 N PRO A 75 1.765 33.812 12.913 1.00 0.00 N ATOM 1258 CA PRO A 75 0.952 34.575 13.843 1.00 0.00 C ATOM 1259 C PRO A 75 1.276 34.312 15.323 1.00 0.00 C ATOM 1260 O PRO A 75 0.532 33.620 16.015 1.00 0.00 O ATOM 1261 CB PRO A 75 -0.498 34.223 13.501 1.00 0.00 C ATOM 1262 CG PRO A 75 -0.367 32.782 13.037 1.00 0.00 C ATOM 1263 CD PRO A 75 0.942 32.818 12.250 1.00 0.00 C ATOM 0 HA PRO A 75 1.155 35.640 13.730 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.156 34.316 14.365 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -0.902 34.868 12.721 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -0.320 32.086 13.875 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.208 32.476 12.415 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.428 31.842 12.251 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.766 33.085 11.208 1.00 0.00 H new ATOM 1271 N HIS A 76 2.379 34.883 15.819 1.00 0.00 N ATOM 1272 CA HIS A 76 2.809 34.776 17.208 1.00 0.00 C ATOM 1273 C HIS A 76 1.946 35.671 18.115 1.00 0.00 C ATOM 1274 O HIS A 76 0.950 36.232 17.659 1.00 0.00 O ATOM 1275 CB HIS A 76 4.295 35.166 17.265 1.00 0.00 C ATOM 1276 CG HIS A 76 5.173 34.278 16.423 1.00 0.00 C ATOM 1277 ND1 HIS A 76 6.251 34.760 15.698 1.00 0.00 N ATOM 1278 CD2 HIS A 76 5.148 32.927 16.181 1.00 0.00 C ATOM 1279 CE1 HIS A 76 6.810 33.709 15.074 1.00 0.00 C ATOM 1280 NE2 HIS A 76 6.185 32.556 15.330 1.00 0.00 N ATOM 0 H HIS A 76 3.010 35.445 15.247 1.00 0.00 H new ATOM 0 HA HIS A 76 2.685 33.757 17.574 1.00 0.00 H new ATOM 0 HB2 HIS A 76 4.406 36.198 16.932 1.00 0.00 H new ATOM 0 HB3 HIS A 76 4.635 35.127 18.300 1.00 0.00 H new ATOM 0 HD1 HIS A 76 6.562 35.730 15.647 1.00 0.00 H new ATOM 0 HD2 HIS A 76 4.421 32.244 16.595 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.675 33.788 14.432 1.00 0.00 H new ATOM 1288 N LEU A 77 2.346 35.803 19.391 1.00 0.00 N ATOM 1289 CA LEU A 77 1.731 36.592 20.464 1.00 0.00 C ATOM 1290 C LEU A 77 0.708 35.758 21.251 1.00 0.00 C ATOM 1291 O LEU A 77 0.048 34.899 20.668 1.00 0.00 O ATOM 1292 CB LEU A 77 1.117 37.925 19.982 1.00 0.00 C ATOM 1293 CG LEU A 77 2.080 38.840 19.203 1.00 0.00 C ATOM 1294 CD1 LEU A 77 1.313 40.085 18.741 1.00 0.00 C ATOM 1295 CD2 LEU A 77 3.280 39.271 20.056 1.00 0.00 C ATOM 0 H LEU A 77 3.179 35.318 19.723 1.00 0.00 H new ATOM 0 HA LEU A 77 2.545 36.867 21.135 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.258 37.704 19.349 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.743 38.470 20.849 1.00 0.00 H new ATOM 0 HG LEU A 77 2.465 38.281 18.350 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.985 40.742 18.188 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.487 39.785 18.097 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.922 40.615 19.610 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.933 39.915 19.467 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.927 39.816 20.932 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.834 38.389 20.377 1.00 0.00 H new ATOM 1307 N PRO A 78 0.567 35.990 22.573 1.00 0.00 N ATOM 1308 CA PRO A 78 -0.372 35.267 23.424 1.00 0.00 C ATOM 1309 C PRO A 78 -1.814 35.713 23.150 1.00 0.00 C ATOM 1310 O PRO A 78 -2.055 36.515 22.252 1.00 0.00 O ATOM 1311 CB PRO A 78 0.066 35.590 24.857 1.00 0.00 C ATOM 1312 CG PRO A 78 0.615 37.008 24.725 1.00 0.00 C ATOM 1313 CD PRO A 78 1.304 36.968 23.362 1.00 0.00 C ATOM 0 HA PRO A 78 -0.361 34.193 23.238 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.768 35.542 25.557 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.824 34.894 25.216 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.178 37.755 24.757 1.00 0.00 H new ATOM 0 HG3 PRO A 78 1.313 37.249 25.526 1.00 0.00 H new ATOM 0 HD2 PRO A 78 1.286 37.948 22.886 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.351 36.681 23.461 1.00 0.00 H new ATOM 1321 N ALA A 79 -2.770 35.177 23.921 1.00 0.00 N ATOM 1322 CA ALA A 79 -4.194 35.470 23.834 1.00 0.00 C ATOM 1323 C ALA A 79 -4.552 36.635 24.767 1.00 0.00 C ATOM 1324 O ALA A 79 -4.685 36.390 25.964 1.00 0.00 O ATOM 1325 CB ALA A 79 -4.960 34.203 24.228 1.00 0.00 C ATOM 0 H ALA A 79 -2.555 34.499 24.652 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.462 35.765 22.820 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.032 34.394 24.172 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.699 33.393 23.546 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.695 33.919 25.247 1.00 0.00 H new ATOM 1430 N GLN A 86 -12.802 44.460 22.770 1.00 0.00 N ATOM 1431 CA GLN A 86 -12.773 44.363 21.307 1.00 0.00 C ATOM 1432 C GLN A 86 -11.369 44.079 20.772 1.00 0.00 C ATOM 1433 O GLN A 86 -11.219 43.584 19.657 1.00 0.00 O ATOM 1434 CB GLN A 86 -13.323 45.637 20.648 1.00 0.00 C ATOM 1435 CG GLN A 86 -14.806 45.497 20.290 1.00 0.00 C ATOM 1436 CD GLN A 86 -15.277 46.657 19.420 1.00 0.00 C ATOM 1437 OE1 GLN A 86 -16.079 47.478 19.857 1.00 0.00 O ATOM 1438 NE2 GLN A 86 -14.785 46.734 18.182 1.00 0.00 N ATOM 0 HA GLN A 86 -13.414 43.521 21.047 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -13.190 46.482 21.324 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -12.751 45.856 19.747 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -14.968 44.556 19.764 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -15.401 45.459 21.203 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -14.120 46.034 17.853 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -15.074 47.493 17.565 1.00 0.00 H new ATOM 1447 N ARG A 87 -10.349 44.367 21.583 1.00 0.00 N ATOM 1448 CA ARG A 87 -8.955 44.156 21.221 1.00 0.00 C ATOM 1449 C ARG A 87 -8.524 42.744 21.607 1.00 0.00 C ATOM 1450 O ARG A 87 -7.445 42.300 21.228 1.00 0.00 O ATOM 1451 CB ARG A 87 -8.111 45.271 21.891 1.00 0.00 C ATOM 1452 CG ARG A 87 -6.613 45.225 21.561 1.00 0.00 C ATOM 1453 CD ARG A 87 -5.814 44.584 22.708 1.00 0.00 C ATOM 1454 NE ARG A 87 -4.389 44.439 22.375 1.00 0.00 N ATOM 1455 CZ ARG A 87 -3.881 43.496 21.566 1.00 0.00 C ATOM 1456 NH1 ARG A 87 -4.686 42.627 20.948 1.00 0.00 N ATOM 1457 NH2 ARG A 87 -2.558 43.417 21.369 1.00 0.00 N ATOM 0 H ARG A 87 -10.474 44.757 22.517 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.804 44.227 20.144 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.507 46.240 21.587 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.234 45.201 22.972 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.457 44.658 20.643 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.246 46.235 21.378 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.916 45.194 23.606 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.234 43.605 22.939 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.738 45.105 22.790 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.695 42.677 21.089 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.292 41.914 20.335 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.933 44.075 21.835 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.176 42.699 20.753 1.00 0.00 H new ATOM 1471 N ALA A 88 -9.411 42.016 22.280 1.00 0.00 N ATOM 1472 CA ALA A 88 -9.271 40.613 22.606 1.00 0.00 C ATOM 1473 C ALA A 88 -9.882 39.838 21.446 1.00 0.00 C ATOM 1474 O ALA A 88 -9.354 38.825 20.990 1.00 0.00 O ATOM 1475 CB ALA A 88 -10.062 40.260 23.869 1.00 0.00 C ATOM 0 H ALA A 88 -10.285 42.413 22.626 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.221 40.375 22.774 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -9.939 39.200 24.091 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.693 40.851 24.707 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.118 40.477 23.709 1.00 0.00 H new ATOM 1481 N ALA A 89 -11.032 40.349 21.000 1.00 0.00 N ATOM 1482 CA ALA A 89 -11.844 39.776 19.945 1.00 0.00 C ATOM 1483 C ALA A 89 -11.091 39.776 18.630 1.00 0.00 C ATOM 1484 O ALA A 89 -10.805 38.720 18.074 1.00 0.00 O ATOM 1485 CB ALA A 89 -13.184 40.512 19.841 1.00 0.00 C ATOM 0 H ALA A 89 -11.431 41.206 21.384 1.00 0.00 H new ATOM 0 HA ALA A 89 -12.061 38.737 20.192 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.781 40.069 19.044 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -13.720 40.427 20.786 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.005 41.564 19.619 1.00 0.00 H new ATOM 1491 N GLU A 90 -10.765 40.970 18.147 1.00 0.00 N ATOM 1492 CA GLU A 90 -10.058 41.188 16.894 1.00 0.00 C ATOM 1493 C GLU A 90 -8.606 40.704 16.918 1.00 0.00 C ATOM 1494 O GLU A 90 -7.940 40.746 15.887 1.00 0.00 O ATOM 1495 CB GLU A 90 -10.192 42.675 16.524 1.00 0.00 C ATOM 1496 CG GLU A 90 -11.667 43.090 16.341 1.00 0.00 C ATOM 1497 CD GLU A 90 -11.865 44.603 16.426 1.00 0.00 C ATOM 1498 OE1 GLU A 90 -11.024 45.320 15.844 1.00 0.00 O ATOM 1499 OE2 GLU A 90 -12.857 45.017 17.070 1.00 0.00 O ATOM 0 H GLU A 90 -10.993 41.838 18.632 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.517 40.576 16.117 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.737 43.286 17.304 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.642 42.871 15.603 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.024 42.734 15.375 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.275 42.604 17.104 1.00 0.00 H new ATOM 1506 N ASN A 91 -8.118 40.210 18.063 1.00 0.00 N ATOM 1507 CA ASN A 91 -6.779 39.655 18.164 1.00 0.00 C ATOM 1508 C ASN A 91 -6.933 38.186 17.838 1.00 0.00 C ATOM 1509 O ASN A 91 -6.247 37.686 16.967 1.00 0.00 O ATOM 1510 CB ASN A 91 -6.196 39.815 19.582 1.00 0.00 C ATOM 1511 CG ASN A 91 -4.722 39.419 19.614 1.00 0.00 C ATOM 1512 OD1 ASN A 91 -3.854 40.290 19.650 1.00 0.00 O ATOM 1513 ND2 ASN A 91 -4.427 38.119 19.618 1.00 0.00 N ATOM 0 H ASN A 91 -8.644 40.188 18.937 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.094 40.170 17.490 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.306 40.849 19.910 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.758 39.197 20.282 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.453 37.817 19.652 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -5.175 37.426 19.587 1.00 0.00 H new ATOM 1520 N ARG A 92 -7.843 37.490 18.522 1.00 0.00 N ATOM 1521 CA ARG A 92 -8.097 36.077 18.281 1.00 0.00 C ATOM 1522 C ARG A 92 -8.671 35.873 16.889 1.00 0.00 C ATOM 1523 O ARG A 92 -8.304 34.925 16.200 1.00 0.00 O ATOM 1524 CB ARG A 92 -9.048 35.548 19.363 1.00 0.00 C ATOM 1525 CG ARG A 92 -8.466 35.702 20.778 1.00 0.00 C ATOM 1526 CD ARG A 92 -9.576 35.738 21.835 1.00 0.00 C ATOM 1527 NE ARG A 92 -10.236 34.437 22.013 1.00 0.00 N ATOM 1528 CZ ARG A 92 -9.827 33.485 22.866 1.00 0.00 C ATOM 1529 NH1 ARG A 92 -8.627 33.571 23.454 1.00 0.00 N ATOM 1530 NH2 ARG A 92 -10.624 32.448 23.135 1.00 0.00 N ATOM 0 H ARG A 92 -8.422 37.894 19.258 1.00 0.00 H new ATOM 0 HA ARG A 92 -7.162 35.519 18.333 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.996 36.082 19.303 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.262 34.496 19.173 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.788 34.874 20.987 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -7.877 36.618 20.834 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.154 36.059 22.787 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.320 36.481 21.549 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.063 34.244 21.448 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.017 34.364 23.255 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.323 32.844 24.101 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.541 32.381 22.693 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.316 31.723 23.783 1.00 0.00 H new ATOM 1544 N GLN A 93 -9.553 36.782 16.478 1.00 0.00 N ATOM 1545 CA GLN A 93 -10.177 36.736 15.165 1.00 0.00 C ATOM 1546 C GLN A 93 -9.219 37.226 14.075 1.00 0.00 C ATOM 1547 O GLN A 93 -9.570 37.151 12.903 1.00 0.00 O ATOM 1548 CB GLN A 93 -11.514 37.492 15.159 1.00 0.00 C ATOM 1549 CG GLN A 93 -12.561 36.874 16.103 1.00 0.00 C ATOM 1550 CD GLN A 93 -13.079 35.504 15.657 1.00 0.00 C ATOM 1551 OE1 GLN A 93 -12.794 35.039 14.557 1.00 0.00 O ATOM 1552 NE2 GLN A 93 -13.859 34.847 16.517 1.00 0.00 N ATOM 0 H GLN A 93 -9.853 37.571 17.050 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.404 35.695 14.934 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.340 38.528 15.448 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.912 37.506 14.144 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.125 36.779 17.098 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -13.405 37.558 16.189 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -14.078 35.259 17.424 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -14.236 33.933 16.268 1.00 0.00 H new ATOM 1561 N GLY A 94 -8.016 37.697 14.441 1.00 0.00 N ATOM 1562 CA GLY A 94 -6.981 38.135 13.507 1.00 0.00 C ATOM 1563 C GLY A 94 -5.912 37.043 13.435 1.00 0.00 C ATOM 1564 O GLY A 94 -5.494 36.653 12.352 1.00 0.00 O ATOM 0 H GLY A 94 -7.735 37.783 15.418 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.409 38.314 12.521 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.542 39.076 13.839 1.00 0.00 H new ATOM 1568 N THR A 95 -5.490 36.537 14.598 1.00 0.00 N ATOM 1569 CA THR A 95 -4.515 35.469 14.795 1.00 0.00 C ATOM 1570 C THR A 95 -5.017 34.226 14.107 1.00 0.00 C ATOM 1571 O THR A 95 -4.289 33.640 13.320 1.00 0.00 O ATOM 1572 CB THR A 95 -4.290 35.216 16.303 1.00 0.00 C ATOM 1573 OG1 THR A 95 -3.595 36.310 16.862 1.00 0.00 O ATOM 1574 CG2 THR A 95 -3.530 33.917 16.643 1.00 0.00 C ATOM 0 H THR A 95 -5.848 36.890 15.486 1.00 0.00 H new ATOM 0 HA THR A 95 -3.556 35.757 14.364 1.00 0.00 H new ATOM 0 HB THR A 95 -5.286 35.101 16.730 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.227 37.032 17.062 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.423 33.831 17.724 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.087 33.060 16.264 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.543 33.942 16.181 1.00 0.00 H new ATOM 1582 N LEU A 96 -6.260 33.838 14.379 1.00 0.00 N ATOM 1583 CA LEU A 96 -6.841 32.687 13.703 1.00 0.00 C ATOM 1584 C LEU A 96 -6.887 32.975 12.199 1.00 0.00 C ATOM 1585 O LEU A 96 -6.388 32.186 11.407 1.00 0.00 O ATOM 1586 CB LEU A 96 -8.195 32.382 14.337 1.00 0.00 C ATOM 1587 CG LEU A 96 -9.066 31.322 13.657 1.00 0.00 C ATOM 1588 CD1 LEU A 96 -9.405 31.643 12.241 1.00 0.00 C ATOM 1589 CD2 LEU A 96 -8.672 29.849 13.647 1.00 0.00 C ATOM 0 H LEU A 96 -6.874 34.296 15.052 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.241 31.785 13.821 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -8.022 32.067 15.366 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.765 33.310 14.379 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.893 31.403 14.363 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.023 30.847 11.826 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.952 32.585 12.202 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.488 31.731 11.658 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.428 29.274 13.113 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.709 29.733 13.149 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.597 29.486 14.672 1.00 0.00 H new ATOM 1601 N THR A 97 -7.488 34.103 11.817 1.00 0.00 N ATOM 1602 CA THR A 97 -7.649 34.558 10.427 1.00 0.00 C ATOM 1603 C THR A 97 -6.352 34.555 9.640 1.00 0.00 C ATOM 1604 O THR A 97 -6.345 34.258 8.443 1.00 0.00 O ATOM 1605 CB THR A 97 -8.298 35.954 10.411 1.00 0.00 C ATOM 1606 OG1 THR A 97 -9.696 35.805 10.528 1.00 0.00 O ATOM 1607 CG2 THR A 97 -7.960 36.847 9.216 1.00 0.00 C ATOM 0 H THR A 97 -7.893 34.753 12.491 1.00 0.00 H new ATOM 0 HA THR A 97 -8.302 33.842 9.927 1.00 0.00 H new ATOM 0 HB THR A 97 -7.868 36.483 11.261 1.00 0.00 H new ATOM 0 HG1 THR A 97 -10.003 36.235 11.353 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.476 37.802 9.318 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.884 37.018 9.182 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.279 36.359 8.295 1.00 0.00 H new ATOM 1615 N GLU A 98 -5.258 34.867 10.321 1.00 0.00 N ATOM 1616 CA GLU A 98 -3.970 34.922 9.687 1.00 0.00 C ATOM 1617 C GLU A 98 -3.388 33.537 9.768 1.00 0.00 C ATOM 1618 O GLU A 98 -2.737 33.126 8.818 1.00 0.00 O ATOM 1619 CB GLU A 98 -3.103 35.997 10.360 1.00 0.00 C ATOM 1620 CG GLU A 98 -1.795 36.241 9.609 1.00 0.00 C ATOM 1621 CD GLU A 98 -0.974 37.320 10.307 1.00 0.00 C ATOM 1622 OE1 GLU A 98 -0.272 36.963 11.278 1.00 0.00 O ATOM 1623 OE2 GLU A 98 -1.090 38.487 9.875 1.00 0.00 O ATOM 0 H GLU A 98 -5.249 35.085 11.317 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.031 35.213 8.638 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.665 36.929 10.419 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.881 35.693 11.383 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.221 35.316 9.556 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -2.008 36.544 8.584 1.00 0.00 H new ATOM 1630 N TYR A 99 -3.649 32.787 10.842 1.00 0.00 N ATOM 1631 CA TYR A 99 -3.133 31.438 10.886 1.00 0.00 C ATOM 1632 C TYR A 99 -3.717 30.608 9.787 1.00 0.00 C ATOM 1633 O TYR A 99 -2.964 29.892 9.180 1.00 0.00 O ATOM 1634 CB TYR A 99 -3.284 30.614 12.177 1.00 0.00 C ATOM 1635 CG TYR A 99 -2.177 29.524 12.335 1.00 0.00 C ATOM 1636 CD1 TYR A 99 -0.861 29.695 11.809 1.00 0.00 C ATOM 1637 CD2 TYR A 99 -2.452 28.309 13.007 1.00 0.00 C ATOM 1638 CE1 TYR A 99 0.132 28.709 11.943 1.00 0.00 C ATOM 1639 CE2 TYR A 99 -1.449 27.326 13.147 1.00 0.00 C ATOM 1640 CZ TYR A 99 -0.180 27.526 12.601 1.00 0.00 C ATOM 1641 OH TYR A 99 0.745 26.538 12.687 1.00 0.00 O ATOM 0 H TYR A 99 -4.191 33.083 11.654 1.00 0.00 H new ATOM 0 HA TYR A 99 -2.065 31.636 10.793 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -3.252 31.284 13.036 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -4.263 30.134 12.184 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.620 30.612 11.291 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -3.436 28.133 13.415 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.122 28.869 11.541 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.665 26.412 13.681 1.00 0.00 H new ATOM 0 HH TYR A 99 0.335 25.739 13.079 1.00 0.00 H new ATOM 1651 N CYS A 100 -5.014 30.666 9.515 1.00 0.00 N ATOM 1652 CA CYS A 100 -5.561 29.844 8.443 1.00 0.00 C ATOM 1653 C CYS A 100 -4.795 30.090 7.150 1.00 0.00 C ATOM 1654 O CYS A 100 -4.398 29.149 6.462 1.00 0.00 O ATOM 1655 CB CYS A 100 -7.055 30.117 8.261 1.00 0.00 C ATOM 1656 SG CYS A 100 -7.720 28.950 7.049 1.00 0.00 S ATOM 0 H CYS A 100 -5.689 31.254 10.004 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.447 28.794 8.713 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -7.576 30.011 9.212 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -7.213 31.141 7.924 1.00 0.00 H new ATOM 0 HG CYS A 100 -8.838 29.411 6.571 1.00 0.00 H new ATOM 1662 N SER A 101 -4.561 31.367 6.855 1.00 0.00 N ATOM 1663 CA SER A 101 -3.809 31.733 5.662 1.00 0.00 C ATOM 1664 C SER A 101 -2.332 31.314 5.719 1.00 0.00 C ATOM 1665 O SER A 101 -1.757 30.889 4.719 1.00 0.00 O ATOM 1666 CB SER A 101 -3.942 33.248 5.455 1.00 0.00 C ATOM 1667 OG SER A 101 -5.302 33.643 5.474 1.00 0.00 O ATOM 0 H SER A 101 -4.878 32.155 7.419 1.00 0.00 H new ATOM 0 HA SER A 101 -4.230 31.190 4.816 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.395 33.775 6.237 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.490 33.530 4.504 1.00 0.00 H new ATOM 0 HG SER A 101 -5.579 33.819 6.398 1.00 0.00 H new ATOM 1673 N THR A 102 -1.719 31.462 6.890 1.00 0.00 N ATOM 1674 CA THR A 102 -0.322 31.209 7.194 1.00 0.00 C ATOM 1675 C THR A 102 0.012 29.736 7.389 1.00 0.00 C ATOM 1676 O THR A 102 1.130 29.349 7.083 1.00 0.00 O ATOM 1677 CB THR A 102 0.113 32.177 8.311 1.00 0.00 C ATOM 1678 OG1 THR A 102 -0.134 33.495 7.865 1.00 0.00 O ATOM 1679 CG2 THR A 102 1.580 32.136 8.710 1.00 0.00 C ATOM 0 H THR A 102 -2.229 31.787 7.711 1.00 0.00 H new ATOM 0 HA THR A 102 0.299 31.431 6.326 1.00 0.00 H new ATOM 0 HB THR A 102 -0.457 31.865 9.186 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.060 33.742 8.070 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.762 32.861 9.503 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.832 31.137 9.066 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.199 32.380 7.847 1.00 0.00 H new ATOM 1687 N LEU A 103 -0.925 28.899 7.831 1.00 0.00 N ATOM 1688 CA LEU A 103 -0.745 27.453 8.000 1.00 0.00 C ATOM 1689 C LEU A 103 -0.474 26.919 6.588 1.00 0.00 C ATOM 1690 O LEU A 103 0.345 26.023 6.414 1.00 0.00 O ATOM 1691 CB LEU A 103 -1.995 26.828 8.695 1.00 0.00 C ATOM 1692 CG LEU A 103 -1.915 25.958 9.974 1.00 0.00 C ATOM 1693 CD1 LEU A 103 -3.274 25.855 10.680 1.00 0.00 C ATOM 1694 CD2 LEU A 103 -1.425 24.505 9.837 1.00 0.00 C ATOM 0 H LEU A 103 -1.860 29.215 8.090 1.00 0.00 H new ATOM 0 HA LEU A 103 0.085 27.190 8.656 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.663 27.657 8.929 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.494 26.220 7.941 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.157 26.508 10.531 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.175 25.236 11.572 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.612 26.851 10.965 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.001 25.404 10.005 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.425 24.027 10.817 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.089 23.959 9.167 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.414 24.499 9.430 1.00 0.00 H new ATOM 1706 N MET A 104 -1.129 27.509 5.576 1.00 0.00 N ATOM 1707 CA MET A 104 -0.930 27.197 4.163 1.00 0.00 C ATOM 1708 C MET A 104 0.123 28.019 3.434 1.00 0.00 C ATOM 1709 O MET A 104 0.346 27.822 2.241 1.00 0.00 O ATOM 1710 CB MET A 104 -2.260 27.120 3.447 1.00 0.00 C ATOM 1711 CG MET A 104 -2.645 25.646 3.242 1.00 0.00 C ATOM 1712 SD MET A 104 -2.526 24.565 4.710 1.00 0.00 S ATOM 1713 CE MET A 104 -1.000 23.630 4.433 1.00 0.00 C ATOM 0 H MET A 104 -1.829 28.235 5.728 1.00 0.00 H new ATOM 0 HA MET A 104 -0.474 26.207 4.142 1.00 0.00 H new ATOM 0 HB2 MET A 104 -3.028 27.631 4.028 1.00 0.00 H new ATOM 0 HB3 MET A 104 -2.197 27.628 2.485 1.00 0.00 H new ATOM 0 HG2 MET A 104 -3.670 25.609 2.872 1.00 0.00 H new ATOM 0 HG3 MET A 104 -2.008 25.232 2.460 1.00 0.00 H new ATOM 0 HE1 MET A 104 -0.433 23.575 5.362 1.00 0.00 H new ATOM 0 HE2 MET A 104 -1.246 22.622 4.098 1.00 0.00 H new ATOM 0 HE3 MET A 104 -0.401 24.129 3.672 1.00 0.00 H new ATOM 1723 N SER A 105 0.779 28.901 4.172 1.00 0.00 N ATOM 1724 CA SER A 105 1.858 29.742 3.681 1.00 0.00 C ATOM 1725 C SER A 105 3.179 29.139 4.136 1.00 0.00 C ATOM 1726 O SER A 105 4.122 29.095 3.349 1.00 0.00 O ATOM 1727 CB SER A 105 1.724 31.212 4.145 1.00 0.00 C ATOM 1728 OG SER A 105 2.470 32.047 3.283 1.00 0.00 O ATOM 0 H SER A 105 0.569 29.055 5.158 1.00 0.00 H new ATOM 0 HA SER A 105 1.813 29.771 2.592 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.676 31.512 4.142 1.00 0.00 H new ATOM 0 HB3 SER A 105 2.082 31.316 5.169 1.00 0.00 H new ATOM 0 HG SER A 105 2.385 32.979 3.575 1.00 0.00 H new ATOM 1734 N LEU A 106 3.240 28.686 5.398 1.00 0.00 N ATOM 1735 CA LEU A 106 4.371 28.092 6.039 1.00 0.00 C ATOM 1736 C LEU A 106 5.302 27.326 5.100 1.00 0.00 C ATOM 1737 O LEU A 106 4.829 26.459 4.361 1.00 0.00 O ATOM 1738 CB LEU A 106 3.959 27.390 7.335 1.00 0.00 C ATOM 1739 CG LEU A 106 3.529 28.238 8.550 1.00 0.00 C ATOM 1740 CD1 LEU A 106 4.009 27.543 9.817 1.00 0.00 C ATOM 1741 CD2 LEU A 106 4.008 29.690 8.590 1.00 0.00 C ATOM 0 H LEU A 106 2.433 28.740 6.020 1.00 0.00 H new ATOM 0 HA LEU A 106 5.036 28.895 6.358 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.134 26.719 7.096 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.796 26.767 7.650 1.00 0.00 H new ATOM 0 HG LEU A 106 2.444 28.306 8.465 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.714 28.129 10.687 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.563 26.551 9.879 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.095 27.451 9.793 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.636 30.171 9.495 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.098 29.714 8.588 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.632 30.221 7.716 1.00 0.00 H new ATOM 1753 N PRO A 107 6.619 27.641 5.101 1.00 0.00 N ATOM 1754 CA PRO A 107 7.549 27.002 4.188 1.00 0.00 C ATOM 1755 C PRO A 107 7.972 25.628 4.642 1.00 0.00 C ATOM 1756 O PRO A 107 8.698 24.925 3.943 1.00 0.00 O ATOM 1757 CB PRO A 107 8.747 27.928 4.095 1.00 0.00 C ATOM 1758 CG PRO A 107 8.810 28.528 5.500 1.00 0.00 C ATOM 1759 CD PRO A 107 7.343 28.595 5.946 1.00 0.00 C ATOM 0 HA PRO A 107 7.071 26.847 3.221 1.00 0.00 H new ATOM 0 HB2 PRO A 107 9.659 27.387 3.843 1.00 0.00 H new ATOM 0 HB3 PRO A 107 8.610 28.694 3.332 1.00 0.00 H new ATOM 0 HG2 PRO A 107 9.403 27.907 6.172 1.00 0.00 H new ATOM 0 HG3 PRO A 107 9.269 29.517 5.491 1.00 0.00 H new ATOM 0 HD2 PRO A 107 7.244 28.336 7.000 1.00 0.00 H new ATOM 0 HD3 PRO A 107 6.945 29.603 5.826 1.00 0.00 H new ATOM 1767 N THR A 108 7.479 25.224 5.803 1.00 0.00 N ATOM 1768 CA THR A 108 7.735 23.916 6.349 1.00 0.00 C ATOM 1769 C THR A 108 6.729 22.982 5.726 1.00 0.00 C ATOM 1770 O THR A 108 6.162 22.162 6.415 1.00 0.00 O ATOM 1771 CB THR A 108 7.489 24.005 7.856 1.00 0.00 C ATOM 1772 OG1 THR A 108 6.347 24.792 8.149 1.00 0.00 O ATOM 1773 CG2 THR A 108 8.693 24.572 8.573 1.00 0.00 C ATOM 0 H THR A 108 6.885 25.807 6.392 1.00 0.00 H new ATOM 0 HA THR A 108 8.749 23.566 6.155 1.00 0.00 H new ATOM 0 HB THR A 108 7.312 22.989 8.210 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.215 24.829 9.119 1.00 0.00 H new ATOM 0 HG21 THR A 108 8.489 24.623 9.642 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.556 23.929 8.399 1.00 0.00 H new ATOM 0 HG23 THR A 108 8.904 25.573 8.195 1.00 0.00 H new ATOM 1781 N LYS A 109 6.446 23.096 4.437 1.00 0.00 N ATOM 1782 CA LYS A 109 5.415 22.241 3.864 1.00 0.00 C ATOM 1783 C LYS A 109 5.769 20.762 3.902 1.00 0.00 C ATOM 1784 O LYS A 109 4.876 19.926 3.821 1.00 0.00 O ATOM 1785 CB LYS A 109 4.994 22.750 2.461 1.00 0.00 C ATOM 1786 CG LYS A 109 3.635 22.183 2.008 1.00 0.00 C ATOM 1787 CD LYS A 109 3.793 21.029 1.004 1.00 0.00 C ATOM 1788 CE LYS A 109 2.488 20.241 0.804 1.00 0.00 C ATOM 1789 NZ LYS A 109 1.411 21.055 0.205 1.00 0.00 N ATOM 0 H LYS A 109 6.894 23.744 3.789 1.00 0.00 H new ATOM 0 HA LYS A 109 4.536 22.316 4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.943 23.839 2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.759 22.475 1.734 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.081 21.832 2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.044 22.979 1.554 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.123 21.428 0.045 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.573 20.352 1.353 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.684 19.380 0.165 1.00 0.00 H new ATOM 0 HE3 LYS A 109 2.152 19.854 1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 0.557 20.473 0.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.201 21.863 0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.716 21.403 -0.726 1.00 0.00 H new ATOM 1803 N ILE A 110 7.051 20.448 4.065 1.00 0.00 N ATOM 1804 CA ILE A 110 7.523 19.074 4.166 1.00 0.00 C ATOM 1805 C ILE A 110 7.522 18.614 5.628 1.00 0.00 C ATOM 1806 O ILE A 110 7.258 17.446 5.908 1.00 0.00 O ATOM 1807 CB ILE A 110 8.908 18.938 3.497 1.00 0.00 C ATOM 1808 CG1 ILE A 110 8.826 19.392 2.025 1.00 0.00 C ATOM 1809 CG2 ILE A 110 9.419 17.490 3.587 1.00 0.00 C ATOM 1810 CD1 ILE A 110 10.172 19.350 1.296 1.00 0.00 C ATOM 0 H ILE A 110 7.794 21.144 4.131 1.00 0.00 H new ATOM 0 HA ILE A 110 6.842 18.413 3.629 1.00 0.00 H new ATOM 0 HB ILE A 110 9.615 19.577 4.026 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.116 18.756 1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 110 8.433 20.408 1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 110 10.396 17.419 3.109 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.505 17.199 4.634 1.00 0.00 H new ATOM 0 HG23 ILE A 110 8.719 16.825 3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 110 10.039 19.682 0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.880 20.008 1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 110 10.557 18.330 1.301 1.00 0.00 H new ATOM 1822 N SER A 111 7.819 19.524 6.560 1.00 0.00 N ATOM 1823 CA SER A 111 7.887 19.221 7.983 1.00 0.00 C ATOM 1824 C SER A 111 6.508 19.249 8.638 1.00 0.00 C ATOM 1825 O SER A 111 6.179 18.414 9.475 1.00 0.00 O ATOM 1826 CB SER A 111 8.849 20.191 8.675 1.00 0.00 C ATOM 1827 OG SER A 111 10.030 20.343 7.913 1.00 0.00 O ATOM 0 H SER A 111 8.020 20.500 6.341 1.00 0.00 H new ATOM 0 HA SER A 111 8.267 18.206 8.097 1.00 0.00 H new ATOM 0 HB2 SER A 111 8.367 21.160 8.806 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.096 19.820 9.670 1.00 0.00 H new ATOM 0 HG SER A 111 10.634 20.967 8.367 1.00 0.00 H new ATOM 1833 N ARG A 112 5.715 20.238 8.236 1.00 0.00 N ATOM 1834 CA ARG A 112 4.371 20.505 8.708 1.00 0.00 C ATOM 1835 C ARG A 112 3.353 19.562 8.091 1.00 0.00 C ATOM 1836 O ARG A 112 2.275 19.418 8.656 1.00 0.00 O ATOM 1837 CB ARG A 112 4.015 21.951 8.363 1.00 0.00 C ATOM 1838 CG ARG A 112 2.753 22.491 9.039 1.00 0.00 C ATOM 1839 CD ARG A 112 2.572 23.962 8.655 1.00 0.00 C ATOM 1840 NE ARG A 112 2.153 24.133 7.252 1.00 0.00 N ATOM 1841 CZ ARG A 112 2.942 24.453 6.209 1.00 0.00 C ATOM 1842 NH1 ARG A 112 4.271 24.447 6.299 1.00 0.00 N ATOM 1843 NH2 ARG A 112 2.397 24.881 5.068 1.00 0.00 N ATOM 0 H ARG A 112 6.016 20.910 7.531 1.00 0.00 H new ATOM 0 HA ARG A 112 4.344 20.347 9.786 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.855 22.590 8.635 1.00 0.00 H new ATOM 0 HB3 ARG A 112 3.891 22.030 7.283 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.883 21.912 8.730 1.00 0.00 H new ATOM 0 HG3 ARG A 112 2.834 22.392 10.121 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.829 24.416 9.310 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.509 24.494 8.818 1.00 0.00 H new ATOM 0 HE ARG A 112 1.163 23.995 7.051 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.721 24.194 7.179 1.00 0.00 H new ATOM 0 HH12 ARG A 112 4.838 24.695 5.488 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.384 24.965 4.987 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.994 25.124 4.277 1.00 0.00 H new ATOM 1857 N CYS A 113 3.685 18.942 6.950 1.00 0.00 N ATOM 1858 CA CYS A 113 2.806 18.016 6.236 1.00 0.00 C ATOM 1859 C CYS A 113 2.008 17.125 7.200 1.00 0.00 C ATOM 1860 O CYS A 113 0.798 17.317 7.326 1.00 0.00 O ATOM 1861 CB CYS A 113 3.577 17.235 5.152 1.00 0.00 C ATOM 1862 SG CYS A 113 2.605 15.863 4.478 1.00 0.00 S ATOM 0 H CYS A 113 4.587 19.075 6.493 1.00 0.00 H new ATOM 0 HA CYS A 113 2.056 18.601 5.703 1.00 0.00 H new ATOM 0 HB2 CYS A 113 3.854 17.913 4.345 1.00 0.00 H new ATOM 0 HB3 CYS A 113 4.504 16.848 5.575 1.00 0.00 H new ATOM 0 HG CYS A 113 3.300 15.243 3.571 1.00 0.00 H new ATOM 1868 N PRO A 114 2.636 16.171 7.906 1.00 0.00 N ATOM 1869 CA PRO A 114 1.918 15.298 8.818 1.00 0.00 C ATOM 1870 C PRO A 114 1.228 16.032 9.945 1.00 0.00 C ATOM 1871 O PRO A 114 0.188 15.568 10.393 1.00 0.00 O ATOM 1872 CB PRO A 114 2.934 14.264 9.307 1.00 0.00 C ATOM 1873 CG PRO A 114 4.265 15.005 9.167 1.00 0.00 C ATOM 1874 CD PRO A 114 4.053 15.845 7.908 1.00 0.00 C ATOM 0 HA PRO A 114 1.089 14.813 8.302 1.00 0.00 H new ATOM 0 HB2 PRO A 114 2.743 13.966 10.338 1.00 0.00 H new ATOM 0 HB3 PRO A 114 2.911 13.357 8.703 1.00 0.00 H new ATOM 0 HG2 PRO A 114 4.476 15.626 10.037 1.00 0.00 H new ATOM 0 HG3 PRO A 114 5.102 14.316 9.057 1.00 0.00 H new ATOM 0 HD2 PRO A 114 4.665 16.747 7.928 1.00 0.00 H new ATOM 0 HD3 PRO A 114 4.331 15.290 7.012 1.00 0.00 H new ATOM 1882 N HIS A 115 1.765 17.165 10.393 1.00 0.00 N ATOM 1883 CA HIS A 115 1.113 17.914 11.452 1.00 0.00 C ATOM 1884 C HIS A 115 -0.247 18.403 10.935 1.00 0.00 C ATOM 1885 O HIS A 115 -1.282 18.131 11.548 1.00 0.00 O ATOM 1886 CB HIS A 115 2.038 19.002 12.033 1.00 0.00 C ATOM 1887 CG HIS A 115 1.821 19.289 13.506 1.00 0.00 C ATOM 1888 ND1 HIS A 115 1.913 20.442 14.256 1.00 0.00 N flip ATOM 1889 CD2 HIS A 115 1.455 18.305 14.415 1.00 0.00 C flip ATOM 1890 CE1 HIS A 115 1.610 20.190 15.591 1.00 0.00 C flip ATOM 1891 NE2 HIS A 115 1.342 18.885 15.621 1.00 0.00 N flip ATOM 0 H HIS A 115 2.632 17.574 10.045 1.00 0.00 H new ATOM 0 HA HIS A 115 0.909 17.279 12.314 1.00 0.00 H new ATOM 0 HB2 HIS A 115 3.074 18.698 11.884 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.892 19.924 11.470 1.00 0.00 H new ATOM 0 HD2 HIS A 115 1.291 17.261 14.192 1.00 0.00 H new ATOM 0 HE1 HIS A 115 1.595 20.891 16.413 1.00 0.00 H new ATOM 0 HE2 HIS A 115 1.079 18.381 16.468 1.00 0.00 H new ATOM 1899 N LEU A 116 -0.283 19.108 9.795 1.00 0.00 N ATOM 1900 CA LEU A 116 -1.539 19.580 9.263 1.00 0.00 C ATOM 1901 C LEU A 116 -2.514 18.423 9.020 1.00 0.00 C ATOM 1902 O LEU A 116 -3.667 18.446 9.449 1.00 0.00 O ATOM 1903 CB LEU A 116 -1.394 20.409 7.979 1.00 0.00 C ATOM 1904 CG LEU A 116 -2.568 21.389 7.786 1.00 0.00 C ATOM 1905 CD1 LEU A 116 -3.190 21.383 6.377 1.00 0.00 C ATOM 1906 CD2 LEU A 116 -3.784 21.198 8.649 1.00 0.00 C ATOM 0 H LEU A 116 0.538 19.354 9.241 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.941 20.243 10.029 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.458 20.967 8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.336 19.740 7.121 1.00 0.00 H new ATOM 0 HG LEU A 116 -2.031 22.302 8.043 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.007 22.103 6.337 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.431 21.654 5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -3.572 20.387 6.152 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.527 21.957 8.404 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.205 20.208 8.471 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.504 21.290 9.698 1.00 0.00 H new ATOM 1918 N LEU A 117 -2.039 17.380 8.339 1.00 0.00 N ATOM 1919 CA LEU A 117 -2.848 16.191 8.115 1.00 0.00 C ATOM 1920 C LEU A 117 -3.386 15.705 9.461 1.00 0.00 C ATOM 1921 O LEU A 117 -4.549 15.351 9.549 1.00 0.00 O ATOM 1922 CB LEU A 117 -2.089 15.095 7.362 1.00 0.00 C ATOM 1923 CG LEU A 117 -1.948 15.238 5.825 1.00 0.00 C ATOM 1924 CD1 LEU A 117 -0.550 15.644 5.382 1.00 0.00 C ATOM 1925 CD2 LEU A 117 -2.267 13.887 5.210 1.00 0.00 C ATOM 0 H LEU A 117 -1.103 17.338 7.936 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.685 16.450 7.466 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -1.087 15.030 7.786 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.583 14.145 7.566 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.628 16.025 5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.522 15.726 4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -0.293 16.606 5.825 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.168 14.891 5.708 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.177 13.951 4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -1.568 13.141 5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -3.284 13.598 5.474 1.00 0.00 H new ATOM 1937 N ASP A 118 -2.582 15.728 10.520 1.00 0.00 N ATOM 1938 CA ASP A 118 -3.015 15.350 11.866 1.00 0.00 C ATOM 1939 C ASP A 118 -3.857 16.422 12.588 1.00 0.00 C ATOM 1940 O ASP A 118 -4.355 16.178 13.683 1.00 0.00 O ATOM 1941 CB ASP A 118 -1.757 15.119 12.717 1.00 0.00 C ATOM 1942 CG ASP A 118 -1.084 13.771 12.469 1.00 0.00 C ATOM 1943 OD1 ASP A 118 -1.688 12.937 11.756 1.00 0.00 O ATOM 1944 OD2 ASP A 118 0.026 13.597 13.014 1.00 0.00 O ATOM 0 H ASP A 118 -1.603 16.011 10.470 1.00 0.00 H new ATOM 0 HA ASP A 118 -3.642 14.465 11.753 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -1.041 15.915 12.513 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -2.024 15.193 13.771 1.00 0.00 H new ATOM 1949 N PHE A 119 -4.028 17.604 11.999 1.00 0.00 N ATOM 1950 CA PHE A 119 -4.799 18.738 12.507 1.00 0.00 C ATOM 1951 C PHE A 119 -6.228 18.418 12.099 1.00 0.00 C ATOM 1952 O PHE A 119 -7.181 18.565 12.862 1.00 0.00 O ATOM 1953 CB PHE A 119 -4.277 20.037 11.780 1.00 0.00 C ATOM 1954 CG PHE A 119 -4.199 21.442 12.384 1.00 0.00 C ATOM 1955 CD1 PHE A 119 -5.204 21.846 13.262 1.00 0.00 C ATOM 1956 CD2 PHE A 119 -3.155 22.361 12.084 1.00 0.00 C ATOM 1957 CE1 PHE A 119 -5.207 23.103 13.882 1.00 0.00 C ATOM 1958 CE2 PHE A 119 -3.153 23.611 12.721 1.00 0.00 C ATOM 1959 CZ PHE A 119 -4.164 23.991 13.615 1.00 0.00 C ATOM 0 H PHE A 119 -3.604 17.809 11.094 1.00 0.00 H new ATOM 0 HA PHE A 119 -4.717 18.900 13.582 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -3.265 19.802 11.451 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.888 20.137 10.883 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -6.013 21.162 13.473 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -2.379 22.101 11.379 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -6.004 23.380 14.556 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -2.348 24.302 12.516 1.00 0.00 H new ATOM 0 HZ PHE A 119 -4.136 24.960 14.092 1.00 0.00 H new ATOM 1969 N PHE A 120 -6.340 18.005 10.841 1.00 0.00 N ATOM 1970 CA PHE A 120 -7.574 17.742 10.142 1.00 0.00 C ATOM 1971 C PHE A 120 -8.081 16.309 10.187 1.00 0.00 C ATOM 1972 O PHE A 120 -9.248 16.083 10.493 1.00 0.00 O ATOM 1973 CB PHE A 120 -7.257 18.175 8.710 1.00 0.00 C ATOM 1974 CG PHE A 120 -7.042 19.664 8.496 1.00 0.00 C ATOM 1975 CD1 PHE A 120 -7.146 20.616 9.531 1.00 0.00 C ATOM 1976 CD2 PHE A 120 -6.742 20.095 7.199 1.00 0.00 C ATOM 1977 CE1 PHE A 120 -7.012 21.983 9.254 1.00 0.00 C ATOM 1978 CE2 PHE A 120 -6.611 21.460 6.912 1.00 0.00 C ATOM 1979 CZ PHE A 120 -6.761 22.404 7.941 1.00 0.00 C ATOM 0 H PHE A 120 -5.521 17.838 10.257 1.00 0.00 H new ATOM 0 HA PHE A 120 -8.395 18.279 10.617 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -6.361 17.648 8.382 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -8.072 17.849 8.064 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -7.330 20.289 10.544 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -6.610 19.368 6.411 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -7.102 22.709 10.049 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -6.396 21.785 5.905 1.00 0.00 H new ATOM 0 HZ PHE A 120 -6.683 23.458 7.720 1.00 0.00 H new ATOM 1989 N LYS A 121 -7.231 15.341 9.870 1.00 0.00 N ATOM 1990 CA LYS A 121 -7.593 13.933 9.862 1.00 0.00 C ATOM 1991 C LYS A 121 -7.986 13.441 11.259 1.00 0.00 C ATOM 1992 O LYS A 121 -8.690 12.442 11.376 1.00 0.00 O ATOM 1993 CB LYS A 121 -6.579 13.076 9.086 1.00 0.00 C ATOM 1994 CG LYS A 121 -5.535 12.350 9.941 1.00 0.00 C ATOM 1995 CD LYS A 121 -4.273 11.961 9.149 1.00 0.00 C ATOM 1996 CE LYS A 121 -4.547 11.313 7.780 1.00 0.00 C ATOM 1997 NZ LYS A 121 -3.313 11.155 6.982 1.00 0.00 N ATOM 0 H LYS A 121 -6.261 15.515 9.609 1.00 0.00 H new ATOM 0 HA LYS A 121 -8.508 13.807 9.283 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -7.127 12.334 8.505 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -6.058 13.717 8.374 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -5.250 12.989 10.777 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -5.982 11.451 10.365 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -3.666 12.854 8.998 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -3.681 11.271 9.751 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -5.010 10.337 7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -5.260 11.924 7.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -3.561 11.043 5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -2.714 11.997 7.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -2.795 10.314 7.307 1.00 0.00 H new ATOM 2011 N VAL A 122 -7.549 14.156 12.306 1.00 0.00 N ATOM 2012 CA VAL A 122 -7.852 13.843 13.697 1.00 0.00 C ATOM 2013 C VAL A 122 -9.096 14.608 14.129 1.00 0.00 C ATOM 2014 O VAL A 122 -10.028 13.982 14.631 1.00 0.00 O ATOM 2015 CB VAL A 122 -6.626 14.071 14.581 1.00 0.00 C ATOM 2016 CG1 VAL A 122 -6.875 13.580 16.012 1.00 0.00 C ATOM 2017 CG2 VAL A 122 -5.470 13.279 13.958 1.00 0.00 C ATOM 0 H VAL A 122 -6.963 14.984 12.200 1.00 0.00 H new ATOM 0 HA VAL A 122 -8.088 12.785 13.810 1.00 0.00 H new ATOM 0 HB VAL A 122 -6.399 15.136 14.636 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -5.985 13.756 16.617 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -7.718 14.122 16.441 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -7.099 12.513 15.997 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.571 13.414 14.559 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -5.730 12.221 13.926 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.287 13.639 12.946 1.00 0.00 H new ATOM 2027 N ARG A 123 -9.140 15.933 13.896 1.00 0.00 N ATOM 2028 CA ARG A 123 -10.323 16.755 14.179 1.00 0.00 C ATOM 2029 C ARG A 123 -11.059 16.424 15.476 1.00 0.00 C ATOM 2030 O ARG A 123 -12.202 15.960 15.428 1.00 0.00 O ATOM 2031 CB ARG A 123 -11.281 16.718 12.977 1.00 0.00 C ATOM 2032 CG ARG A 123 -11.636 15.299 12.487 1.00 0.00 C ATOM 2033 CD ARG A 123 -12.583 15.339 11.294 1.00 0.00 C ATOM 2034 NE ARG A 123 -11.871 15.379 10.018 1.00 0.00 N ATOM 2035 CZ ARG A 123 -12.484 15.493 8.830 1.00 0.00 C ATOM 2036 NH1 ARG A 123 -13.821 15.565 8.760 1.00 0.00 N ATOM 2037 NH2 ARG A 123 -11.747 15.554 7.715 1.00 0.00 N ATOM 0 H ARG A 123 -8.357 16.459 13.507 1.00 0.00 H new ATOM 0 HA ARG A 123 -9.946 17.765 14.337 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -12.201 17.237 13.245 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -10.831 17.272 12.153 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -10.724 14.770 12.211 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -12.097 14.737 13.300 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -13.231 14.463 11.318 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -13.228 16.214 11.375 1.00 0.00 H new ATOM 0 HE ARG A 123 -10.853 15.317 10.032 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -14.379 15.533 9.613 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -14.280 15.652 7.853 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -10.729 15.514 7.773 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -12.203 15.641 6.807 1.00 0.00 H new ATOM 2051 N PRO A 124 -10.461 16.682 16.648 1.00 0.00 N ATOM 2052 CA PRO A 124 -11.106 16.412 17.913 1.00 0.00 C ATOM 2053 C PRO A 124 -12.213 17.402 18.287 1.00 0.00 C ATOM 2054 O PRO A 124 -12.426 17.696 19.461 1.00 0.00 O ATOM 2055 CB PRO A 124 -9.966 16.323 18.931 1.00 0.00 C ATOM 2056 CG PRO A 124 -8.993 17.368 18.389 1.00 0.00 C ATOM 2057 CD PRO A 124 -9.132 17.223 16.871 1.00 0.00 C ATOM 0 HA PRO A 124 -11.669 15.480 17.872 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -10.299 16.558 19.942 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -9.523 15.328 18.965 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -9.254 18.372 18.723 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -7.972 17.177 18.720 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -9.012 18.185 16.373 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -8.367 16.559 16.469 1.00 0.00 H new ATOM 2065 N ASP A 125 -12.962 17.858 17.281 1.00 0.00 N ATOM 2066 CA ASP A 125 -14.146 18.682 17.441 1.00 0.00 C ATOM 2067 C ASP A 125 -15.186 18.369 16.355 1.00 0.00 C ATOM 2068 O ASP A 125 -16.260 18.966 16.329 1.00 0.00 O ATOM 2069 CB ASP A 125 -13.811 20.161 17.678 1.00 0.00 C ATOM 2070 CG ASP A 125 -14.977 20.910 18.331 1.00 0.00 C ATOM 2071 OD1 ASP A 125 -15.859 21.390 17.589 1.00 0.00 O ATOM 2072 OD2 ASP A 125 -14.990 20.972 19.579 1.00 0.00 O ATOM 0 H ASP A 125 -12.748 17.654 16.305 1.00 0.00 H new ATOM 0 HA ASP A 125 -14.647 18.413 18.371 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -12.929 20.237 18.314 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -13.561 20.634 16.728 1.00 0.00 H new ATOM 2077 N ASP A 126 -14.896 17.386 15.486 1.00 0.00 N ATOM 2078 CA ASP A 126 -15.819 16.894 14.481 1.00 0.00 C ATOM 2079 C ASP A 126 -16.411 15.591 15.023 1.00 0.00 C ATOM 2080 O ASP A 126 -17.627 15.464 15.151 1.00 0.00 O ATOM 2081 CB ASP A 126 -15.094 16.608 13.151 1.00 0.00 C ATOM 2082 CG ASP A 126 -16.010 16.058 12.049 1.00 0.00 C ATOM 2083 OD1 ASP A 126 -17.232 15.965 12.283 1.00 0.00 O ATOM 2084 OD2 ASP A 126 -15.471 15.735 10.966 1.00 0.00 O ATOM 0 H ASP A 126 -13.994 16.910 15.472 1.00 0.00 H new ATOM 0 HA ASP A 126 -16.589 17.640 14.284 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -14.628 17.528 12.797 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -14.291 15.894 13.333 1.00 0.00 H new