USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 873 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 106 THR OG1 : rot 73:sc= 0.906 USER MOD Set 1.2: A 111 HIS : no HD1:sc= -2.38! C(o=-1.5!,f=-4.1!) USER MOD Set 2.1: A 13 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-2.1!) USER MOD Set 2.2: A 69 SER OG : rot -106:sc= 0.0191 USER MOD Single : A 11 CYS SG : rot -140:sc= -1.55 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= 2.18 (180deg=1.97) USER MOD Single : A 18 HIS : no HD1:sc= 0.721 K(o=0.72,f=-3.9!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.49! C(o=-1.5!,f=-6!) USER MOD Single : A 21 SER OG : rot 5:sc= 0.664 USER MOD Single : A 25 SER OG : rot -179:sc= -1.93! USER MOD Single : A 26 SER OG : rot 180:sc= 1.06 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 154:sc= 1.08 (180deg=0.577) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -98:sc= 1.1 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0221 K(o=-0.022,f=-1.3!) USER MOD Single : A 46 TYR OH : rot -74:sc= 0.387 USER MOD Single : A 48 GLN : amide:sc= -0.0599 K(o=-0.06,f=-0.7) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 135:sc= -0.704 (180deg=-2.86!) USER MOD Single : A 52 SER OG : rot 61:sc= 1.21 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 75:sc= 1.21 USER MOD Single : A 63 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 65 SER OG : rot 19:sc= 1.24 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 37:sc= 0.209 USER MOD Single : A 83 GLN : amide:sc= -0.851 K(o=-0.85,f=0) USER MOD Single : A 84 MET CE :methyl 150:sc= 0 (180deg=-0.789) USER MOD Single : A 85 GLN : amide:sc= -0.0213 K(o=-0.021,f=-1) USER MOD Single : A 86 LYS NZ :NH3+ -159:sc= -0.0145 (180deg=-0.272) USER MOD Single : A 92 SER OG : rot -84:sc= -0.698! USER MOD Single : A 97 THR OG1 : rot -63:sc= 1.23 USER MOD Single : A 100 MET CE :methyl 171:sc= -2.29 (180deg=-2.49) USER MOD Single : A 101 SER OG : rot 170:sc= 0.552 USER MOD Single : A 108 SER OG : rot 135:sc= -1.91! USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 6 7.227 19.324 0.522 1.00 20.03 N ATOM 72 CA PRO A 6 5.852 18.951 0.868 1.00 12.40 C ATOM 73 C PRO A 6 5.655 18.726 2.365 1.00 24.41 C ATOM 74 O PRO A 6 6.288 17.848 2.963 1.00 43.13 O ATOM 75 CB PRO A 6 5.641 17.637 0.114 1.00 23.33 C ATOM 76 CG PRO A 6 6.562 17.718 -1.047 1.00 63.34 C ATOM 77 CD PRO A 6 7.758 18.500 -0.580 1.00 54.55 C ATOM 0 HA PRO A 6 5.148 19.740 0.604 1.00 12.40 H new ATOM 0 HB2 PRO A 6 5.872 16.778 0.743 1.00 23.33 H new ATOM 0 HB3 PRO A 6 4.606 17.527 -0.209 1.00 23.33 H new ATOM 0 HG2 PRO A 6 6.854 16.723 -1.382 1.00 63.34 H new ATOM 0 HG3 PRO A 6 6.081 18.210 -1.892 1.00 63.34 H new ATOM 0 HD2 PRO A 6 8.558 17.843 -0.239 1.00 54.55 H new ATOM 0 HD3 PRO A 6 8.170 19.117 -1.379 1.00 54.55 H new ATOM 85 N ALA A 7 4.796 19.535 2.966 1.00 31.14 N ATOM 86 CA ALA A 7 4.473 19.389 4.374 1.00 21.34 C ATOM 87 C ALA A 7 3.404 18.320 4.537 1.00 3.12 C ATOM 88 O ALA A 7 3.286 17.683 5.584 1.00 53.32 O ATOM 89 CB ALA A 7 4.003 20.714 4.951 1.00 21.21 C ATOM 0 H ALA A 7 4.310 20.300 2.498 1.00 31.14 H new ATOM 0 HA ALA A 7 5.366 19.084 4.920 1.00 21.34 H new ATOM 0 HB1 ALA A 7 3.765 20.587 6.007 1.00 21.21 H new ATOM 0 HB2 ALA A 7 4.792 21.458 4.844 1.00 21.21 H new ATOM 0 HB3 ALA A 7 3.114 21.049 4.416 1.00 21.21 H new ATOM 95 N ARG A 8 2.633 18.136 3.474 1.00 74.20 N ATOM 96 CA ARG A 8 1.590 17.129 3.422 1.00 72.14 C ATOM 97 C ARG A 8 1.600 16.450 2.075 1.00 1.24 C ATOM 98 O ARG A 8 1.910 17.080 1.060 1.00 75.11 O ATOM 99 CB ARG A 8 0.209 17.743 3.642 1.00 52.01 C ATOM 100 CG ARG A 8 -0.087 18.157 5.061 1.00 54.34 C ATOM 101 CD ARG A 8 -1.555 18.494 5.219 1.00 52.15 C ATOM 102 NE ARG A 8 -1.907 18.774 6.602 1.00 71.51 N ATOM 103 CZ ARG A 8 -3.024 18.354 7.194 1.00 41.01 C ATOM 104 NH1 ARG A 8 -3.877 17.569 6.539 1.00 71.22 N ATOM 105 NH2 ARG A 8 -3.274 18.695 8.447 1.00 15.23 N ATOM 0 H ARG A 8 2.717 18.687 2.619 1.00 74.20 H new ATOM 0 HA ARG A 8 1.789 16.409 4.216 1.00 72.14 H new ATOM 0 HB2 ARG A 8 0.109 18.616 2.997 1.00 52.01 H new ATOM 0 HB3 ARG A 8 -0.546 17.024 3.324 1.00 52.01 H new ATOM 0 HG2 ARG A 8 0.183 17.352 5.745 1.00 54.34 H new ATOM 0 HG3 ARG A 8 0.522 19.021 5.329 1.00 54.34 H new ATOM 0 HD2 ARG A 8 -1.796 19.359 4.602 1.00 52.15 H new ATOM 0 HD3 ARG A 8 -2.158 17.663 4.853 1.00 52.15 H new ATOM 0 HE ARG A 8 -1.255 19.329 7.156 1.00 71.51 H new ATOM 0 HH11 ARG A 8 -3.676 17.287 5.580 1.00 71.22 H new ATOM 0 HH12 ARG A 8 -4.731 17.250 6.997 1.00 71.22 H new ATOM 0 HH21 ARG A 8 -2.612 19.279 8.958 1.00 15.23 H new ATOM 0 HH22 ARG A 8 -4.129 18.374 8.902 1.00 15.23 H new ATOM 119 N VAL A 9 1.267 15.182 2.057 1.00 15.51 N ATOM 120 CA VAL A 9 1.172 14.435 0.816 1.00 52.32 C ATOM 121 C VAL A 9 -0.064 13.559 0.822 1.00 40.11 C ATOM 122 O VAL A 9 -0.461 13.038 1.865 1.00 30.23 O ATOM 123 CB VAL A 9 2.422 13.548 0.544 1.00 31.30 C ATOM 124 CG1 VAL A 9 3.644 14.403 0.250 1.00 33.40 C ATOM 125 CG2 VAL A 9 2.692 12.611 1.714 1.00 42.14 C ATOM 0 H VAL A 9 1.055 14.638 2.893 1.00 15.51 H new ATOM 0 HA VAL A 9 1.111 15.174 0.017 1.00 52.32 H new ATOM 0 HB VAL A 9 2.213 12.941 -0.337 1.00 31.30 H new ATOM 0 HG11 VAL A 9 4.503 13.758 0.064 1.00 33.40 H new ATOM 0 HG12 VAL A 9 3.455 15.018 -0.630 1.00 33.40 H new ATOM 0 HG13 VAL A 9 3.852 15.046 1.105 1.00 33.40 H new ATOM 0 HG21 VAL A 9 3.570 12.003 1.498 1.00 42.14 H new ATOM 0 HG22 VAL A 9 2.869 13.197 2.616 1.00 42.14 H new ATOM 0 HG23 VAL A 9 1.830 11.962 1.867 1.00 42.14 H new ATOM 135 N ARG A 10 -0.688 13.430 -0.327 1.00 30.44 N ATOM 136 CA ARG A 10 -1.838 12.568 -0.459 1.00 63.24 C ATOM 137 C ARG A 10 -1.405 11.252 -1.044 1.00 2.11 C ATOM 138 O ARG A 10 -0.990 11.185 -2.204 1.00 21.01 O ATOM 139 CB ARG A 10 -2.915 13.197 -1.343 1.00 4.01 C ATOM 140 CG ARG A 10 -4.098 12.275 -1.573 1.00 34.12 C ATOM 141 CD ARG A 10 -5.115 12.874 -2.517 1.00 15.41 C ATOM 142 NE ARG A 10 -6.133 11.895 -2.883 1.00 62.14 N ATOM 143 CZ ARG A 10 -7.047 12.063 -3.835 1.00 55.34 C ATOM 144 NH1 ARG A 10 -7.105 13.201 -4.526 1.00 33.35 N ATOM 145 NH2 ARG A 10 -7.906 11.088 -4.099 1.00 23.05 N ATOM 0 H ARG A 10 -0.417 13.912 -1.184 1.00 30.44 H new ATOM 0 HA ARG A 10 -2.268 12.417 0.531 1.00 63.24 H new ATOM 0 HB2 ARG A 10 -3.264 14.121 -0.881 1.00 4.01 H new ATOM 0 HB3 ARG A 10 -2.478 13.467 -2.304 1.00 4.01 H new ATOM 0 HG2 ARG A 10 -3.744 11.327 -1.978 1.00 34.12 H new ATOM 0 HG3 ARG A 10 -4.576 12.056 -0.618 1.00 34.12 H new ATOM 0 HD2 ARG A 10 -5.588 13.737 -2.047 1.00 15.41 H new ATOM 0 HD3 ARG A 10 -4.614 13.235 -3.415 1.00 15.41 H new ATOM 0 HE ARG A 10 -6.145 11.014 -2.369 1.00 62.14 H new ATOM 0 HH11 ARG A 10 -6.445 13.953 -4.327 1.00 33.35 H new ATOM 0 HH12 ARG A 10 -7.809 13.320 -5.254 1.00 33.35 H new ATOM 0 HH21 ARG A 10 -7.864 10.215 -3.573 1.00 23.05 H new ATOM 0 HH22 ARG A 10 -8.609 11.211 -4.828 1.00 23.05 H new ATOM 159 N CYS A 11 -1.477 10.211 -0.254 1.00 2.34 N ATOM 160 CA CYS A 11 -1.050 8.914 -0.704 1.00 2.24 C ATOM 161 C CYS A 11 -2.058 7.838 -0.351 1.00 74.25 C ATOM 162 O CYS A 11 -2.728 7.902 0.681 1.00 40.30 O ATOM 163 CB CYS A 11 0.319 8.572 -0.116 1.00 31.53 C ATOM 164 SG CYS A 11 1.622 9.743 -0.558 1.00 21.32 S ATOM 0 H CYS A 11 -1.827 10.238 0.704 1.00 2.34 H new ATOM 0 HA CYS A 11 -0.973 8.951 -1.791 1.00 2.24 H new ATOM 0 HB2 CYS A 11 0.236 8.529 0.970 1.00 31.53 H new ATOM 0 HB3 CYS A 11 0.609 7.577 -0.453 1.00 31.53 H new ATOM 0 HG CYS A 11 2.722 9.096 -0.804 1.00 21.32 H new ATOM 170 N SER A 12 -2.178 6.874 -1.229 1.00 41.43 N ATOM 171 CA SER A 12 -3.029 5.736 -1.015 1.00 2.21 C ATOM 172 C SER A 12 -2.159 4.553 -0.604 1.00 11.15 C ATOM 173 O SER A 12 -0.971 4.515 -0.944 1.00 63.24 O ATOM 174 CB SER A 12 -3.798 5.422 -2.295 1.00 70.03 C ATOM 175 OG SER A 12 -4.447 6.584 -2.788 1.00 2.44 O ATOM 0 H SER A 12 -1.682 6.859 -2.120 1.00 41.43 H new ATOM 0 HA SER A 12 -3.752 5.944 -0.226 1.00 2.21 H new ATOM 0 HB2 SER A 12 -3.114 5.033 -3.050 1.00 70.03 H new ATOM 0 HB3 SER A 12 -4.535 4.643 -2.101 1.00 70.03 H new ATOM 0 HG SER A 12 -4.933 6.363 -3.610 1.00 2.44 H new ATOM 181 N HIS A 13 -2.721 3.603 0.121 1.00 2.42 N ATOM 182 CA HIS A 13 -1.931 2.474 0.590 1.00 20.44 C ATOM 183 C HIS A 13 -2.654 1.145 0.416 1.00 52.12 C ATOM 184 O HIS A 13 -3.856 1.040 0.642 1.00 25.34 O ATOM 185 CB HIS A 13 -1.479 2.673 2.061 1.00 42.40 C ATOM 186 CG HIS A 13 -2.585 2.667 3.096 1.00 31.41 C ATOM 187 ND1 HIS A 13 -2.352 2.435 4.432 1.00 43.40 N ATOM 188 CD2 HIS A 13 -3.922 2.869 2.986 1.00 4.54 C ATOM 189 CE1 HIS A 13 -3.490 2.492 5.095 1.00 52.22 C ATOM 190 NE2 HIS A 13 -4.457 2.755 4.241 1.00 3.02 N ATOM 0 H HIS A 13 -3.703 3.587 0.395 1.00 2.42 H new ATOM 0 HA HIS A 13 -1.040 2.436 -0.037 1.00 20.44 H new ATOM 0 HB2 HIS A 13 -0.767 1.887 2.312 1.00 42.40 H new ATOM 0 HB3 HIS A 13 -0.945 3.621 2.132 1.00 42.40 H new ATOM 0 HD2 HIS A 13 -4.464 3.081 2.076 1.00 4.54 H new ATOM 0 HE1 HIS A 13 -3.609 2.347 6.159 1.00 52.22 H new ATOM 0 HE2 HIS A 13 -5.444 2.857 4.476 1.00 3.02 H new ATOM 199 N LEU A 14 -1.907 0.146 -0.007 1.00 2.41 N ATOM 200 CA LEU A 14 -2.426 -1.201 -0.166 1.00 12.42 C ATOM 201 C LEU A 14 -1.868 -2.076 0.947 1.00 21.34 C ATOM 202 O LEU A 14 -0.831 -1.750 1.526 1.00 71.43 O ATOM 203 CB LEU A 14 -2.005 -1.772 -1.529 1.00 61.41 C ATOM 204 CG LEU A 14 -2.659 -3.097 -1.929 1.00 13.52 C ATOM 205 CD1 LEU A 14 -4.116 -2.889 -2.278 1.00 33.24 C ATOM 206 CD2 LEU A 14 -1.915 -3.737 -3.087 1.00 24.42 C ATOM 0 H LEU A 14 -0.921 0.243 -0.251 1.00 2.41 H new ATOM 0 HA LEU A 14 -3.515 -1.180 -0.116 1.00 12.42 H new ATOM 0 HB2 LEU A 14 -2.230 -1.032 -2.297 1.00 61.41 H new ATOM 0 HB3 LEU A 14 -0.924 -1.909 -1.526 1.00 61.41 H new ATOM 0 HG LEU A 14 -2.606 -3.774 -1.076 1.00 13.52 H new ATOM 0 HD11 LEU A 14 -4.562 -3.843 -2.560 1.00 33.24 H new ATOM 0 HD12 LEU A 14 -4.643 -2.483 -1.414 1.00 33.24 H new ATOM 0 HD13 LEU A 14 -4.194 -2.191 -3.112 1.00 33.24 H new ATOM 0 HD21 LEU A 14 -2.397 -4.677 -3.354 1.00 24.42 H new ATOM 0 HD22 LEU A 14 -1.930 -3.065 -3.945 1.00 24.42 H new ATOM 0 HD23 LEU A 14 -0.883 -3.929 -2.795 1.00 24.42 H new ATOM 218 N LEU A 15 -2.554 -3.158 1.263 1.00 31.11 N ATOM 219 CA LEU A 15 -2.087 -4.074 2.293 1.00 24.40 C ATOM 220 C LEU A 15 -2.385 -5.511 1.908 1.00 72.44 C ATOM 221 O LEU A 15 -3.516 -5.847 1.540 1.00 75.12 O ATOM 222 CB LEU A 15 -2.725 -3.723 3.659 1.00 63.23 C ATOM 223 CG LEU A 15 -2.297 -4.562 4.895 1.00 72.42 C ATOM 224 CD1 LEU A 15 -2.997 -5.914 4.933 1.00 64.40 C ATOM 225 CD2 LEU A 15 -0.790 -4.748 4.933 1.00 20.55 C ATOM 0 H LEU A 15 -3.435 -3.426 0.824 1.00 31.11 H new ATOM 0 HA LEU A 15 -1.006 -3.968 2.385 1.00 24.40 H new ATOM 0 HB2 LEU A 15 -2.506 -2.677 3.872 1.00 63.23 H new ATOM 0 HB3 LEU A 15 -3.807 -3.807 3.555 1.00 63.23 H new ATOM 0 HG LEU A 15 -2.602 -4.004 5.780 1.00 72.42 H new ATOM 0 HD11 LEU A 15 -2.670 -6.469 5.812 1.00 64.40 H new ATOM 0 HD12 LEU A 15 -4.076 -5.764 4.979 1.00 64.40 H new ATOM 0 HD13 LEU A 15 -2.747 -6.478 4.035 1.00 64.40 H new ATOM 0 HD21 LEU A 15 -0.518 -5.339 5.808 1.00 20.55 H new ATOM 0 HD22 LEU A 15 -0.464 -5.265 4.031 1.00 20.55 H new ATOM 0 HD23 LEU A 15 -0.304 -3.774 4.988 1.00 20.55 H new ATOM 237 N VAL A 16 -1.372 -6.345 1.988 1.00 41.22 N ATOM 238 CA VAL A 16 -1.515 -7.760 1.728 1.00 31.14 C ATOM 239 C VAL A 16 -0.901 -8.564 2.886 1.00 32.01 C ATOM 240 O VAL A 16 0.226 -8.293 3.322 1.00 61.10 O ATOM 241 CB VAL A 16 -0.862 -8.159 0.371 1.00 70.21 C ATOM 242 CG1 VAL A 16 0.631 -7.893 0.375 1.00 30.15 C ATOM 243 CG2 VAL A 16 -1.149 -9.611 0.030 1.00 11.10 C ATOM 0 H VAL A 16 -0.424 -6.060 2.236 1.00 41.22 H new ATOM 0 HA VAL A 16 -2.578 -7.991 1.656 1.00 31.14 H new ATOM 0 HB VAL A 16 -1.310 -7.535 -0.402 1.00 70.21 H new ATOM 0 HG11 VAL A 16 1.055 -8.183 -0.587 1.00 30.15 H new ATOM 0 HG12 VAL A 16 0.811 -6.832 0.546 1.00 30.15 H new ATOM 0 HG13 VAL A 16 1.102 -8.473 1.169 1.00 30.15 H new ATOM 0 HG21 VAL A 16 -0.681 -9.861 -0.922 1.00 11.10 H new ATOM 0 HG22 VAL A 16 -0.747 -10.255 0.812 1.00 11.10 H new ATOM 0 HG23 VAL A 16 -2.226 -9.761 -0.045 1.00 11.10 H new ATOM 253 N LYS A 17 -1.655 -9.518 3.402 1.00 45.04 N ATOM 254 CA LYS A 17 -1.198 -10.345 4.513 1.00 71.33 C ATOM 255 C LYS A 17 -0.411 -11.547 3.998 1.00 72.13 C ATOM 256 O LYS A 17 -0.384 -11.819 2.793 1.00 54.11 O ATOM 257 CB LYS A 17 -2.391 -10.833 5.356 1.00 25.22 C ATOM 258 CG LYS A 17 -3.174 -9.734 6.071 1.00 44.25 C ATOM 259 CD LYS A 17 -2.391 -9.134 7.230 1.00 13.30 C ATOM 260 CE LYS A 17 -3.213 -8.078 7.971 1.00 11.22 C ATOM 261 NZ LYS A 17 -4.446 -8.646 8.583 1.00 1.24 N ATOM 0 H LYS A 17 -2.593 -9.743 3.069 1.00 45.04 H new ATOM 0 HA LYS A 17 -0.548 -9.735 5.140 1.00 71.33 H new ATOM 0 HB2 LYS A 17 -3.074 -11.380 4.707 1.00 25.22 H new ATOM 0 HB3 LYS A 17 -2.024 -11.539 6.101 1.00 25.22 H new ATOM 0 HG2 LYS A 17 -3.427 -8.948 5.359 1.00 44.25 H new ATOM 0 HG3 LYS A 17 -4.114 -10.142 6.442 1.00 44.25 H new ATOM 0 HD2 LYS A 17 -2.101 -9.924 7.923 1.00 13.30 H new ATOM 0 HD3 LYS A 17 -1.471 -8.685 6.856 1.00 13.30 H new ATOM 0 HE2 LYS A 17 -2.600 -7.624 8.750 1.00 11.22 H new ATOM 0 HE3 LYS A 17 -3.488 -7.283 7.278 1.00 11.22 H new ATOM 0 HZ1 LYS A 17 -4.925 -7.913 9.144 1.00 1.24 H new ATOM 0 HZ2 LYS A 17 -5.084 -8.980 7.833 1.00 1.24 H new ATOM 0 HZ3 LYS A 17 -4.191 -9.443 9.201 1.00 1.24 H new ATOM 275 N HIS A 18 0.227 -12.256 4.913 1.00 24.12 N ATOM 276 CA HIS A 18 0.979 -13.456 4.580 1.00 63.44 C ATOM 277 C HIS A 18 1.119 -14.343 5.806 1.00 55.14 C ATOM 278 O HIS A 18 0.705 -13.955 6.893 1.00 54.20 O ATOM 279 CB HIS A 18 2.358 -13.128 3.945 1.00 1.52 C ATOM 280 CG HIS A 18 3.229 -12.185 4.728 1.00 25.34 C ATOM 281 ND1 HIS A 18 4.488 -12.518 5.179 1.00 54.15 N ATOM 282 CD2 HIS A 18 3.034 -10.899 5.096 1.00 53.02 C ATOM 283 CE1 HIS A 18 5.023 -11.479 5.786 1.00 55.24 C ATOM 284 NE2 HIS A 18 4.161 -10.485 5.750 1.00 42.14 N ATOM 0 H HIS A 18 0.239 -12.018 5.905 1.00 24.12 H new ATOM 0 HA HIS A 18 0.419 -14.003 3.822 1.00 63.44 H new ATOM 0 HB2 HIS A 18 2.902 -14.061 3.801 1.00 1.52 H new ATOM 0 HB3 HIS A 18 2.190 -12.702 2.956 1.00 1.52 H new ATOM 0 HD2 HIS A 18 2.150 -10.307 4.908 1.00 53.02 H new ATOM 0 HE1 HIS A 18 6.004 -11.448 6.237 1.00 55.24 H new ATOM 0 HE2 HIS A 18 4.310 -9.557 6.146 1.00 42.14 H new ATOM 293 N SER A 19 1.687 -15.533 5.618 1.00 2.32 N ATOM 294 CA SER A 19 1.843 -16.512 6.697 1.00 23.21 C ATOM 295 C SER A 19 2.482 -15.881 7.946 1.00 2.12 C ATOM 296 O SER A 19 1.958 -16.017 9.062 1.00 32.10 O ATOM 297 CB SER A 19 2.666 -17.713 6.212 1.00 2.22 C ATOM 298 OG SER A 19 2.532 -18.819 7.090 1.00 4.33 O ATOM 0 H SER A 19 2.051 -15.847 4.718 1.00 2.32 H new ATOM 0 HA SER A 19 0.849 -16.860 6.980 1.00 23.21 H new ATOM 0 HB2 SER A 19 2.341 -17.999 5.212 1.00 2.22 H new ATOM 0 HB3 SER A 19 3.716 -17.430 6.137 1.00 2.22 H new ATOM 0 HG SER A 19 3.066 -19.569 6.755 1.00 4.33 H new ATOM 304 N GLN A 20 3.603 -15.191 7.764 1.00 60.33 N ATOM 305 CA GLN A 20 4.241 -14.506 8.873 1.00 20.41 C ATOM 306 C GLN A 20 3.562 -13.175 9.142 1.00 0.15 C ATOM 307 O GLN A 20 3.938 -12.144 8.585 1.00 40.40 O ATOM 308 CB GLN A 20 5.739 -14.309 8.625 1.00 4.14 C ATOM 309 CG GLN A 20 6.564 -15.576 8.791 1.00 63.15 C ATOM 310 CD GLN A 20 6.636 -16.047 10.236 1.00 14.51 C ATOM 311 OE1 GLN A 20 5.719 -15.823 11.027 1.00 23.52 O ATOM 312 NE2 GLN A 20 7.720 -16.701 10.589 1.00 1.03 N ATOM 0 H GLN A 20 4.081 -15.094 6.868 1.00 60.33 H new ATOM 0 HA GLN A 20 4.133 -15.135 9.757 1.00 20.41 H new ATOM 0 HB2 GLN A 20 5.882 -13.924 7.616 1.00 4.14 H new ATOM 0 HB3 GLN A 20 6.114 -13.550 9.312 1.00 4.14 H new ATOM 0 HG2 GLN A 20 6.134 -16.367 8.177 1.00 63.15 H new ATOM 0 HG3 GLN A 20 7.574 -15.398 8.421 1.00 63.15 H new ATOM 0 HE21 GLN A 20 8.460 -16.868 9.907 1.00 1.03 H new ATOM 0 HE22 GLN A 20 7.822 -17.041 11.545 1.00 1.03 H new ATOM 321 N SER A 21 2.530 -13.217 9.953 1.00 14.02 N ATOM 322 CA SER A 21 1.789 -12.034 10.330 1.00 14.13 C ATOM 323 C SER A 21 1.116 -12.250 11.675 1.00 52.43 C ATOM 324 O SER A 21 0.952 -13.395 12.118 1.00 12.33 O ATOM 325 CB SER A 21 0.746 -11.678 9.256 1.00 24.01 C ATOM 326 OG SER A 21 1.377 -11.314 8.033 1.00 73.11 O ATOM 0 H SER A 21 2.178 -14.078 10.372 1.00 14.02 H new ATOM 0 HA SER A 21 2.485 -11.200 10.414 1.00 14.13 H new ATOM 0 HB2 SER A 21 0.085 -12.529 9.089 1.00 24.01 H new ATOM 0 HB3 SER A 21 0.123 -10.855 9.607 1.00 24.01 H new ATOM 0 HG SER A 21 2.345 -11.447 8.112 1.00 73.11 H new ATOM 332 N ARG A 22 0.738 -11.158 12.325 1.00 20.53 N ATOM 333 CA ARG A 22 0.087 -11.225 13.623 1.00 5.10 C ATOM 334 C ARG A 22 -1.305 -11.806 13.480 1.00 50.01 C ATOM 335 O ARG A 22 -1.753 -12.596 14.314 1.00 64.55 O ATOM 336 CB ARG A 22 0.024 -9.838 14.256 1.00 1.22 C ATOM 337 CG ARG A 22 1.382 -9.167 14.368 1.00 72.21 C ATOM 338 CD ARG A 22 1.292 -7.828 15.069 1.00 41.14 C ATOM 339 NE ARG A 22 0.960 -7.981 16.481 1.00 44.12 N ATOM 340 CZ ARG A 22 1.712 -7.525 17.481 1.00 74.03 C ATOM 341 NH1 ARG A 22 2.833 -6.849 17.228 1.00 2.11 N ATOM 342 NH2 ARG A 22 1.343 -7.742 18.738 1.00 71.44 N ATOM 0 H ARG A 22 0.873 -10.211 11.971 1.00 20.53 H new ATOM 0 HA ARG A 22 0.670 -11.876 14.275 1.00 5.10 H new ATOM 0 HB2 ARG A 22 -0.638 -9.206 13.664 1.00 1.22 H new ATOM 0 HB3 ARG A 22 -0.417 -9.919 15.250 1.00 1.22 H new ATOM 0 HG2 ARG A 22 2.065 -9.818 14.914 1.00 72.21 H new ATOM 0 HG3 ARG A 22 1.802 -9.028 13.372 1.00 72.21 H new ATOM 0 HD2 ARG A 22 2.242 -7.302 14.973 1.00 41.14 H new ATOM 0 HD3 ARG A 22 0.536 -7.212 14.582 1.00 41.14 H new ATOM 0 HE ARG A 22 0.096 -8.469 16.718 1.00 44.12 H new ATOM 0 HH11 ARG A 22 3.119 -6.678 16.264 1.00 2.11 H new ATOM 0 HH12 ARG A 22 3.404 -6.502 17.999 1.00 2.11 H new ATOM 0 HH21 ARG A 22 0.485 -8.257 18.936 1.00 71.44 H new ATOM 0 HH22 ARG A 22 1.917 -7.394 19.506 1.00 71.44 H new ATOM 356 N ARG A 23 -1.978 -11.418 12.418 1.00 65.04 N ATOM 357 CA ARG A 23 -3.296 -11.921 12.119 1.00 12.23 C ATOM 358 C ARG A 23 -3.506 -11.944 10.606 1.00 42.33 C ATOM 359 O ARG A 23 -3.887 -10.931 10.003 1.00 43.22 O ATOM 360 CB ARG A 23 -4.371 -11.066 12.812 1.00 35.24 C ATOM 361 CG ARG A 23 -5.786 -11.623 12.708 1.00 65.34 C ATOM 362 CD ARG A 23 -5.867 -13.053 13.230 1.00 10.41 C ATOM 363 NE ARG A 23 -5.310 -13.182 14.580 1.00 63.52 N ATOM 364 CZ ARG A 23 -4.679 -14.272 15.029 1.00 74.04 C ATOM 365 NH1 ARG A 23 -4.573 -15.346 14.256 1.00 55.33 N ATOM 366 NH2 ARG A 23 -4.170 -14.290 16.254 1.00 43.23 N ATOM 0 H ARG A 23 -1.624 -10.744 11.739 1.00 65.04 H new ATOM 0 HA ARG A 23 -3.385 -12.939 12.499 1.00 12.23 H new ATOM 0 HB2 ARG A 23 -4.111 -10.963 13.866 1.00 35.24 H new ATOM 0 HB3 ARG A 23 -4.355 -10.065 12.380 1.00 35.24 H new ATOM 0 HG2 ARG A 23 -6.469 -10.990 13.274 1.00 65.34 H new ATOM 0 HG3 ARG A 23 -6.113 -11.596 11.668 1.00 65.34 H new ATOM 0 HD2 ARG A 23 -6.908 -13.378 13.236 1.00 10.41 H new ATOM 0 HD3 ARG A 23 -5.330 -13.716 12.552 1.00 10.41 H new ATOM 0 HE ARG A 23 -5.410 -12.391 15.216 1.00 63.52 H new ATOM 0 HH11 ARG A 23 -4.973 -15.341 13.318 1.00 55.33 H new ATOM 0 HH12 ARG A 23 -4.091 -16.177 14.600 1.00 55.33 H new ATOM 0 HH21 ARG A 23 -4.260 -13.471 16.856 1.00 43.23 H new ATOM 0 HH22 ARG A 23 -3.689 -15.123 16.594 1.00 43.23 H new ATOM 380 N PRO A 24 -3.193 -13.085 9.963 1.00 61.24 N ATOM 381 CA PRO A 24 -3.357 -13.266 8.514 1.00 50.40 C ATOM 382 C PRO A 24 -4.828 -13.367 8.099 1.00 24.54 C ATOM 383 O PRO A 24 -5.278 -14.390 7.582 1.00 61.04 O ATOM 384 CB PRO A 24 -2.625 -14.595 8.224 1.00 72.32 C ATOM 385 CG PRO A 24 -1.859 -14.905 9.469 1.00 74.01 C ATOM 386 CD PRO A 24 -2.627 -14.282 10.591 1.00 33.23 C ATOM 0 HA PRO A 24 -2.961 -12.417 7.957 1.00 50.40 H new ATOM 0 HB2 PRO A 24 -3.333 -15.390 7.990 1.00 72.32 H new ATOM 0 HB3 PRO A 24 -1.959 -14.498 7.367 1.00 72.32 H new ATOM 0 HG2 PRO A 24 -1.765 -15.982 9.611 1.00 74.01 H new ATOM 0 HG3 PRO A 24 -0.848 -14.501 9.416 1.00 74.01 H new ATOM 0 HD2 PRO A 24 -3.403 -14.947 10.970 1.00 33.23 H new ATOM 0 HD3 PRO A 24 -1.983 -14.032 11.434 1.00 33.23 H new ATOM 394 N SER A 25 -5.564 -12.308 8.342 1.00 32.30 N ATOM 395 CA SER A 25 -6.956 -12.237 7.981 1.00 73.11 C ATOM 396 C SER A 25 -7.206 -11.018 7.107 1.00 73.22 C ATOM 397 O SER A 25 -6.479 -10.015 7.202 1.00 2.12 O ATOM 398 CB SER A 25 -7.809 -12.163 9.241 1.00 71.35 C ATOM 399 OG SER A 25 -7.374 -11.103 10.079 1.00 13.02 O ATOM 0 H SER A 25 -5.210 -11.468 8.799 1.00 32.30 H new ATOM 0 HA SER A 25 -7.227 -13.131 7.419 1.00 73.11 H new ATOM 0 HB2 SER A 25 -8.854 -12.014 8.970 1.00 71.35 H new ATOM 0 HB3 SER A 25 -7.751 -13.108 9.781 1.00 71.35 H new ATOM 0 HG SER A 25 -7.924 -11.080 10.890 1.00 13.02 H new ATOM 405 N SER A 26 -8.201 -11.102 6.255 1.00 64.23 N ATOM 406 CA SER A 26 -8.556 -10.000 5.392 1.00 54.25 C ATOM 407 C SER A 26 -9.751 -9.250 5.969 1.00 14.25 C ATOM 408 O SER A 26 -10.257 -9.600 7.041 1.00 2.14 O ATOM 409 CB SER A 26 -8.895 -10.524 4.002 1.00 14.31 C ATOM 410 OG SER A 26 -9.983 -11.431 4.065 1.00 2.53 O ATOM 0 H SER A 26 -8.784 -11.931 6.141 1.00 64.23 H new ATOM 0 HA SER A 26 -7.710 -9.316 5.321 1.00 54.25 H new ATOM 0 HB2 SER A 26 -9.145 -9.692 3.344 1.00 14.31 H new ATOM 0 HB3 SER A 26 -8.025 -11.020 3.572 1.00 14.31 H new ATOM 0 HG SER A 26 -10.190 -11.757 3.164 1.00 2.53 H new ATOM 415 N TRP A 27 -10.204 -8.233 5.255 1.00 73.23 N ATOM 416 CA TRP A 27 -11.357 -7.451 5.674 1.00 1.03 C ATOM 417 C TRP A 27 -12.638 -8.291 5.607 1.00 14.14 C ATOM 418 O TRP A 27 -13.599 -8.034 6.324 1.00 3.32 O ATOM 419 CB TRP A 27 -11.496 -6.198 4.797 1.00 70.33 C ATOM 420 CG TRP A 27 -11.656 -6.503 3.334 1.00 53.41 C ATOM 421 CD1 TRP A 27 -10.665 -6.797 2.443 1.00 35.20 C ATOM 422 CD2 TRP A 27 -12.882 -6.541 2.595 1.00 32.33 C ATOM 423 NE1 TRP A 27 -11.198 -7.023 1.202 1.00 64.04 N ATOM 424 CE2 TRP A 27 -12.557 -6.868 1.266 1.00 30.12 C ATOM 425 CE3 TRP A 27 -14.221 -6.331 2.931 1.00 55.54 C ATOM 426 CZ2 TRP A 27 -13.522 -6.990 0.273 1.00 65.43 C ATOM 427 CZ3 TRP A 27 -15.178 -6.451 1.944 1.00 61.11 C ATOM 428 CH2 TRP A 27 -14.825 -6.779 0.630 1.00 74.34 C ATOM 0 H TRP A 27 -9.787 -7.927 4.376 1.00 73.23 H new ATOM 0 HA TRP A 27 -11.204 -7.142 6.708 1.00 1.03 H new ATOM 0 HB2 TRP A 27 -12.357 -5.621 5.136 1.00 70.33 H new ATOM 0 HB3 TRP A 27 -10.617 -5.569 4.935 1.00 70.33 H new ATOM 0 HD1 TRP A 27 -9.613 -6.845 2.682 1.00 35.20 H new ATOM 0 HE1 TRP A 27 -10.668 -7.267 0.365 1.00 64.04 H new ATOM 0 HE3 TRP A 27 -14.502 -6.080 3.943 1.00 55.54 H new ATOM 0 HZ2 TRP A 27 -13.253 -7.242 -0.742 1.00 65.43 H new ATOM 0 HZ3 TRP A 27 -16.217 -6.289 2.190 1.00 61.11 H new ATOM 0 HH2 TRP A 27 -15.599 -6.867 -0.118 1.00 74.34 H new ATOM 439 N ARG A 28 -12.632 -9.301 4.749 1.00 21.41 N ATOM 440 CA ARG A 28 -13.785 -10.179 4.590 1.00 61.43 C ATOM 441 C ARG A 28 -13.520 -11.537 5.233 1.00 2.20 C ATOM 442 O ARG A 28 -14.325 -12.460 5.113 1.00 25.03 O ATOM 443 CB ARG A 28 -14.128 -10.355 3.110 1.00 62.23 C ATOM 444 CG ARG A 28 -12.956 -10.805 2.253 1.00 42.43 C ATOM 445 CD ARG A 28 -13.409 -11.198 0.860 1.00 25.02 C ATOM 446 NE ARG A 28 -14.305 -12.355 0.892 1.00 53.43 N ATOM 447 CZ ARG A 28 -13.922 -13.609 0.637 1.00 41.22 C ATOM 448 NH1 ARG A 28 -12.664 -13.866 0.288 1.00 33.33 N ATOM 449 NH2 ARG A 28 -14.802 -14.600 0.719 1.00 43.32 N ATOM 0 H ARG A 28 -11.840 -9.534 4.150 1.00 21.41 H new ATOM 0 HA ARG A 28 -14.635 -9.716 5.092 1.00 61.43 H new ATOM 0 HB2 ARG A 28 -14.933 -11.084 3.018 1.00 62.23 H new ATOM 0 HB3 ARG A 28 -14.508 -9.410 2.721 1.00 62.23 H new ATOM 0 HG2 ARG A 28 -12.223 -10.001 2.186 1.00 42.43 H new ATOM 0 HG3 ARG A 28 -12.459 -11.651 2.728 1.00 42.43 H new ATOM 0 HD2 ARG A 28 -13.918 -10.356 0.391 1.00 25.02 H new ATOM 0 HD3 ARG A 28 -12.539 -11.428 0.245 1.00 25.02 H new ATOM 0 HE ARG A 28 -15.285 -12.193 1.124 1.00 53.43 H new ATOM 0 HH11 ARG A 28 -11.989 -13.104 0.215 1.00 33.33 H new ATOM 0 HH12 ARG A 28 -12.374 -14.825 0.094 1.00 33.33 H new ATOM 0 HH21 ARG A 28 -15.769 -14.403 0.976 1.00 43.32 H new ATOM 0 HH22 ARG A 28 -14.511 -15.558 0.525 1.00 43.32 H new ATOM 463 N GLN A 29 -12.382 -11.633 5.913 1.00 62.12 N ATOM 464 CA GLN A 29 -11.959 -12.848 6.610 1.00 40.41 C ATOM 465 C GLN A 29 -11.775 -14.033 5.649 1.00 63.12 C ATOM 466 O GLN A 29 -12.539 -15.008 5.670 1.00 51.35 O ATOM 467 CB GLN A 29 -12.922 -13.203 7.749 1.00 43.45 C ATOM 468 CG GLN A 29 -12.417 -14.309 8.662 1.00 13.42 C ATOM 469 CD GLN A 29 -13.402 -14.649 9.753 1.00 64.14 C ATOM 470 OE1 GLN A 29 -14.268 -15.511 9.576 1.00 12.41 O ATOM 471 NE2 GLN A 29 -13.279 -13.989 10.886 1.00 74.44 N ATOM 0 H GLN A 29 -11.719 -10.863 5.998 1.00 62.12 H new ATOM 0 HA GLN A 29 -10.984 -12.637 7.049 1.00 40.41 H new ATOM 0 HB2 GLN A 29 -13.108 -12.310 8.345 1.00 43.45 H new ATOM 0 HB3 GLN A 29 -13.878 -13.506 7.322 1.00 43.45 H new ATOM 0 HG2 GLN A 29 -12.213 -15.201 8.069 1.00 13.42 H new ATOM 0 HG3 GLN A 29 -11.473 -14.002 9.112 1.00 13.42 H new ATOM 0 HE21 GLN A 29 -12.549 -13.284 10.989 1.00 74.44 H new ATOM 0 HE22 GLN A 29 -13.914 -14.182 11.660 1.00 74.44 H new ATOM 480 N GLU A 30 -10.792 -13.913 4.785 1.00 2.43 N ATOM 481 CA GLU A 30 -10.416 -14.977 3.876 1.00 3.43 C ATOM 482 C GLU A 30 -9.244 -15.751 4.488 1.00 12.53 C ATOM 483 O GLU A 30 -8.667 -15.315 5.488 1.00 31.11 O ATOM 484 CB GLU A 30 -10.030 -14.371 2.502 1.00 43.13 C ATOM 485 CG GLU A 30 -9.580 -15.380 1.443 1.00 63.13 C ATOM 486 CD GLU A 30 -10.620 -16.440 1.150 1.00 74.52 C ATOM 487 OE1 GLU A 30 -10.619 -17.484 1.833 1.00 44.44 O ATOM 488 OE2 GLU A 30 -11.438 -16.240 0.232 1.00 51.41 O ATOM 0 H GLU A 30 -10.226 -13.070 4.691 1.00 2.43 H new ATOM 0 HA GLU A 30 -11.250 -15.662 3.721 1.00 3.43 H new ATOM 0 HB2 GLU A 30 -10.886 -13.820 2.114 1.00 43.13 H new ATOM 0 HB3 GLU A 30 -9.228 -13.648 2.655 1.00 43.13 H new ATOM 0 HG2 GLU A 30 -9.343 -14.848 0.521 1.00 63.13 H new ATOM 0 HG3 GLU A 30 -8.662 -15.863 1.778 1.00 63.13 H new ATOM 495 N LYS A 31 -8.916 -16.891 3.920 1.00 75.45 N ATOM 496 CA LYS A 31 -7.807 -17.688 4.404 1.00 72.11 C ATOM 497 C LYS A 31 -6.481 -17.179 3.816 1.00 24.51 C ATOM 498 O LYS A 31 -6.274 -17.203 2.603 1.00 52.24 O ATOM 499 CB LYS A 31 -8.030 -19.177 4.059 1.00 35.11 C ATOM 500 CG LYS A 31 -8.036 -19.484 2.561 1.00 5.33 C ATOM 501 CD LYS A 31 -8.500 -20.902 2.273 1.00 44.21 C ATOM 502 CE LYS A 31 -10.009 -21.034 2.413 1.00 15.44 C ATOM 503 NZ LYS A 31 -10.732 -20.156 1.456 1.00 41.40 N ATOM 0 H LYS A 31 -9.404 -17.290 3.118 1.00 75.45 H new ATOM 0 HA LYS A 31 -7.753 -17.592 5.488 1.00 72.11 H new ATOM 0 HB2 LYS A 31 -7.249 -19.769 4.536 1.00 35.11 H new ATOM 0 HB3 LYS A 31 -8.979 -19.498 4.487 1.00 35.11 H new ATOM 0 HG2 LYS A 31 -8.689 -18.778 2.049 1.00 5.33 H new ATOM 0 HG3 LYS A 31 -7.033 -19.341 2.158 1.00 5.33 H new ATOM 0 HD2 LYS A 31 -8.201 -21.186 1.264 1.00 44.21 H new ATOM 0 HD3 LYS A 31 -8.008 -21.593 2.958 1.00 44.21 H new ATOM 0 HE2 LYS A 31 -10.300 -22.071 2.246 1.00 15.44 H new ATOM 0 HE3 LYS A 31 -10.303 -20.781 3.432 1.00 15.44 H new ATOM 0 HZ1 LYS A 31 -11.670 -20.558 1.256 1.00 41.40 H new ATOM 0 HZ2 LYS A 31 -10.843 -19.208 1.870 1.00 41.40 H new ATOM 0 HZ3 LYS A 31 -10.190 -20.086 0.571 1.00 41.40 H new ATOM 517 N ILE A 32 -5.606 -16.681 4.672 1.00 61.05 N ATOM 518 CA ILE A 32 -4.309 -16.209 4.223 1.00 12.44 C ATOM 519 C ILE A 32 -3.207 -17.132 4.724 1.00 43.23 C ATOM 520 O ILE A 32 -2.754 -17.031 5.868 1.00 23.33 O ATOM 521 CB ILE A 32 -3.998 -14.733 4.646 1.00 53.15 C ATOM 522 CG1 ILE A 32 -4.905 -13.730 3.912 1.00 0.23 C ATOM 523 CG2 ILE A 32 -2.538 -14.395 4.374 1.00 43.23 C ATOM 524 CD1 ILE A 32 -6.313 -13.645 4.443 1.00 24.43 C ATOM 0 H ILE A 32 -5.769 -16.593 5.675 1.00 61.05 H new ATOM 0 HA ILE A 32 -4.344 -16.222 3.134 1.00 12.44 H new ATOM 0 HB ILE A 32 -4.195 -14.654 5.715 1.00 53.15 H new ATOM 0 HG12 ILE A 32 -4.450 -12.741 3.969 1.00 0.23 H new ATOM 0 HG13 ILE A 32 -4.945 -14.002 2.857 1.00 0.23 H new ATOM 0 HG21 ILE A 32 -2.341 -13.366 4.674 1.00 43.23 H new ATOM 0 HG22 ILE A 32 -1.897 -15.068 4.943 1.00 43.23 H new ATOM 0 HG23 ILE A 32 -2.330 -14.509 3.310 1.00 43.23 H new ATOM 0 HD11 ILE A 32 -6.877 -12.913 3.864 1.00 24.43 H new ATOM 0 HD12 ILE A 32 -6.792 -14.620 4.360 1.00 24.43 H new ATOM 0 HD13 ILE A 32 -6.290 -13.340 5.489 1.00 24.43 H new ATOM 536 N THR A 33 -2.815 -18.052 3.883 1.00 3.03 N ATOM 537 CA THR A 33 -1.749 -18.969 4.201 1.00 30.33 C ATOM 538 C THR A 33 -0.538 -18.673 3.329 1.00 64.42 C ATOM 539 O THR A 33 0.575 -19.143 3.600 1.00 62.21 O ATOM 540 CB THR A 33 -2.206 -20.422 3.999 1.00 52.30 C ATOM 541 OG1 THR A 33 -2.879 -20.547 2.737 1.00 52.22 O ATOM 542 CG2 THR A 33 -3.146 -20.851 5.118 1.00 52.12 C ATOM 0 H THR A 33 -3.224 -18.188 2.959 1.00 3.03 H new ATOM 0 HA THR A 33 -1.476 -18.839 5.248 1.00 30.33 H new ATOM 0 HB THR A 33 -1.326 -21.066 4.013 1.00 52.30 H new ATOM 0 HG1 THR A 33 -3.168 -21.475 2.611 1.00 52.22 H new ATOM 0 HG21 THR A 33 -3.458 -21.883 4.956 1.00 52.12 H new ATOM 0 HG22 THR A 33 -2.631 -20.774 6.076 1.00 52.12 H new ATOM 0 HG23 THR A 33 -4.023 -20.204 5.125 1.00 52.12 H new ATOM 550 N ARG A 34 -0.774 -17.881 2.280 1.00 12.13 N ATOM 551 CA ARG A 34 0.263 -17.463 1.344 1.00 45.10 C ATOM 552 C ARG A 34 1.446 -16.837 2.069 1.00 25.54 C ATOM 553 O ARG A 34 1.280 -15.965 2.917 1.00 13.50 O ATOM 554 CB ARG A 34 -0.317 -16.480 0.313 1.00 43.10 C ATOM 555 CG ARG A 34 -1.261 -15.439 0.907 1.00 73.12 C ATOM 556 CD ARG A 34 -1.831 -14.521 -0.163 1.00 75.23 C ATOM 557 NE ARG A 34 -3.229 -14.157 0.109 1.00 23.23 N ATOM 558 CZ ARG A 34 -3.630 -13.010 0.671 1.00 64.21 C ATOM 559 NH1 ARG A 34 -2.747 -12.141 1.130 1.00 41.15 N ATOM 560 NH2 ARG A 34 -4.924 -12.749 0.799 1.00 11.11 N ATOM 0 H ARG A 34 -1.698 -17.511 2.058 1.00 12.13 H new ATOM 0 HA ARG A 34 0.624 -18.350 0.824 1.00 45.10 H new ATOM 0 HB2 ARG A 34 0.505 -15.967 -0.186 1.00 43.10 H new ATOM 0 HB3 ARG A 34 -0.851 -17.045 -0.451 1.00 43.10 H new ATOM 0 HG2 ARG A 34 -2.076 -15.942 1.427 1.00 73.12 H new ATOM 0 HG3 ARG A 34 -0.727 -14.845 1.649 1.00 73.12 H new ATOM 0 HD2 ARG A 34 -1.226 -13.616 -0.224 1.00 75.23 H new ATOM 0 HD3 ARG A 34 -1.767 -15.013 -1.134 1.00 75.23 H new ATOM 0 HE ARG A 34 -3.950 -14.831 -0.151 1.00 23.23 H new ATOM 0 HH11 ARG A 34 -1.749 -12.341 1.058 1.00 41.15 H new ATOM 0 HH12 ARG A 34 -3.063 -11.270 1.556 1.00 41.15 H new ATOM 0 HH21 ARG A 34 -5.615 -13.423 0.469 1.00 11.11 H new ATOM 0 HH22 ARG A 34 -5.228 -11.875 1.227 1.00 11.11 H new ATOM 574 N THR A 35 2.628 -17.293 1.737 1.00 64.11 N ATOM 575 CA THR A 35 3.839 -16.807 2.368 1.00 52.25 C ATOM 576 C THR A 35 4.326 -15.510 1.695 1.00 75.10 C ATOM 577 O THR A 35 3.734 -15.046 0.713 1.00 2.43 O ATOM 578 CB THR A 35 4.956 -17.887 2.330 1.00 11.31 C ATOM 579 OG1 THR A 35 6.129 -17.425 3.017 1.00 11.43 O ATOM 580 CG2 THR A 35 5.309 -18.250 0.896 1.00 44.13 C ATOM 0 H THR A 35 2.782 -18.008 1.026 1.00 64.11 H new ATOM 0 HA THR A 35 3.607 -16.588 3.410 1.00 52.25 H new ATOM 0 HB THR A 35 4.578 -18.777 2.833 1.00 11.31 H new ATOM 0 HG1 THR A 35 6.773 -17.076 2.366 1.00 11.43 H new ATOM 0 HG21 THR A 35 6.093 -19.007 0.895 1.00 44.13 H new ATOM 0 HG22 THR A 35 4.425 -18.641 0.392 1.00 44.13 H new ATOM 0 HG23 THR A 35 5.662 -17.362 0.372 1.00 44.13 H new ATOM 588 N LYS A 36 5.399 -14.932 2.232 1.00 65.41 N ATOM 589 CA LYS A 36 5.974 -13.698 1.701 1.00 44.12 C ATOM 590 C LYS A 36 6.447 -13.906 0.267 1.00 65.51 C ATOM 591 O LYS A 36 6.311 -13.021 -0.568 1.00 70.52 O ATOM 592 CB LYS A 36 7.139 -13.232 2.579 1.00 70.02 C ATOM 593 CG LYS A 36 7.830 -11.966 2.088 1.00 43.21 C ATOM 594 CD LYS A 36 9.040 -11.631 2.946 1.00 35.11 C ATOM 595 CE LYS A 36 9.835 -10.471 2.367 1.00 41.43 C ATOM 596 NZ LYS A 36 11.052 -10.184 3.163 1.00 73.04 N ATOM 0 H LYS A 36 5.892 -15.304 3.044 1.00 65.41 H new ATOM 0 HA LYS A 36 5.203 -12.928 1.706 1.00 44.12 H new ATOM 0 HB2 LYS A 36 6.770 -13.061 3.590 1.00 70.02 H new ATOM 0 HB3 LYS A 36 7.876 -14.033 2.640 1.00 70.02 H new ATOM 0 HG2 LYS A 36 8.141 -12.097 1.052 1.00 43.21 H new ATOM 0 HG3 LYS A 36 7.126 -11.134 2.107 1.00 43.21 H new ATOM 0 HD2 LYS A 36 8.713 -11.380 3.955 1.00 35.11 H new ATOM 0 HD3 LYS A 36 9.682 -12.508 3.028 1.00 35.11 H new ATOM 0 HE2 LYS A 36 10.119 -10.702 1.340 1.00 41.43 H new ATOM 0 HE3 LYS A 36 9.206 -9.581 2.332 1.00 41.43 H new ATOM 0 HZ1 LYS A 36 11.566 -9.387 2.736 1.00 73.04 H new ATOM 0 HZ2 LYS A 36 10.780 -9.939 4.136 1.00 73.04 H new ATOM 0 HZ3 LYS A 36 11.665 -11.024 3.176 1.00 73.04 H new ATOM 610 N GLU A 37 6.987 -15.091 -0.005 1.00 32.10 N ATOM 611 CA GLU A 37 7.462 -15.446 -1.343 1.00 12.43 C ATOM 612 C GLU A 37 6.337 -15.311 -2.366 1.00 74.23 C ATOM 613 O GLU A 37 6.555 -14.875 -3.497 1.00 14.33 O ATOM 614 CB GLU A 37 8.005 -16.887 -1.370 1.00 60.03 C ATOM 615 CG GLU A 37 9.322 -17.106 -0.623 1.00 44.43 C ATOM 616 CD GLU A 37 9.251 -16.737 0.841 1.00 11.42 C ATOM 617 OE1 GLU A 37 8.346 -17.237 1.544 1.00 1.21 O ATOM 618 OE2 GLU A 37 10.102 -15.948 1.296 1.00 72.30 O ATOM 0 H GLU A 37 7.108 -15.829 0.689 1.00 32.10 H new ATOM 0 HA GLU A 37 8.268 -14.759 -1.601 1.00 12.43 H new ATOM 0 HB2 GLU A 37 7.251 -17.549 -0.945 1.00 60.03 H new ATOM 0 HB3 GLU A 37 8.142 -17.186 -2.409 1.00 60.03 H new ATOM 0 HG2 GLU A 37 9.612 -18.153 -0.712 1.00 44.43 H new ATOM 0 HG3 GLU A 37 10.104 -16.517 -1.101 1.00 44.43 H new ATOM 625 N GLU A 38 5.137 -15.679 -1.953 1.00 21.22 N ATOM 626 CA GLU A 38 3.976 -15.612 -2.817 1.00 42.34 C ATOM 627 C GLU A 38 3.447 -14.189 -2.891 1.00 1.31 C ATOM 628 O GLU A 38 3.175 -13.676 -3.972 1.00 74.23 O ATOM 629 CB GLU A 38 2.890 -16.552 -2.310 1.00 2.34 C ATOM 630 CG GLU A 38 3.334 -18.000 -2.238 1.00 61.02 C ATOM 631 CD GLU A 38 2.254 -18.911 -1.710 1.00 52.44 C ATOM 632 OE1 GLU A 38 2.134 -19.033 -0.478 1.00 61.32 O ATOM 633 OE2 GLU A 38 1.517 -19.513 -2.534 1.00 73.53 O ATOM 0 H GLU A 38 4.942 -16.030 -1.015 1.00 21.22 H new ATOM 0 HA GLU A 38 4.272 -15.923 -3.819 1.00 42.34 H new ATOM 0 HB2 GLU A 38 2.572 -16.227 -1.319 1.00 2.34 H new ATOM 0 HB3 GLU A 38 2.021 -16.478 -2.964 1.00 2.34 H new ATOM 0 HG2 GLU A 38 3.633 -18.335 -3.231 1.00 61.02 H new ATOM 0 HG3 GLU A 38 4.213 -18.075 -1.598 1.00 61.02 H new ATOM 640 N ALA A 39 3.330 -13.547 -1.730 1.00 13.41 N ATOM 641 CA ALA A 39 2.842 -12.173 -1.652 1.00 63.32 C ATOM 642 C ALA A 39 3.727 -11.232 -2.467 1.00 31.20 C ATOM 643 O ALA A 39 3.250 -10.250 -3.035 1.00 32.03 O ATOM 644 CB ALA A 39 2.772 -11.717 -0.201 1.00 4.25 C ATOM 0 H ALA A 39 3.568 -13.959 -0.828 1.00 13.41 H new ATOM 0 HA ALA A 39 1.838 -12.144 -2.075 1.00 63.32 H new ATOM 0 HB1 ALA A 39 2.407 -10.691 -0.159 1.00 4.25 H new ATOM 0 HB2 ALA A 39 2.094 -12.367 0.352 1.00 4.25 H new ATOM 0 HB3 ALA A 39 3.766 -11.767 0.244 1.00 4.25 H new ATOM 650 N LEU A 40 5.013 -11.554 -2.525 1.00 74.00 N ATOM 651 CA LEU A 40 5.980 -10.779 -3.292 1.00 52.32 C ATOM 652 C LEU A 40 5.601 -10.760 -4.776 1.00 65.33 C ATOM 653 O LEU A 40 5.727 -9.731 -5.448 1.00 11.00 O ATOM 654 CB LEU A 40 7.395 -11.362 -3.081 1.00 30.30 C ATOM 655 CG LEU A 40 8.546 -10.705 -3.859 1.00 1.24 C ATOM 656 CD1 LEU A 40 9.827 -10.757 -3.043 1.00 0.05 C ATOM 657 CD2 LEU A 40 8.759 -11.411 -5.194 1.00 2.51 C ATOM 0 H LEU A 40 5.415 -12.358 -2.043 1.00 74.00 H new ATOM 0 HA LEU A 40 5.974 -9.747 -2.940 1.00 52.32 H new ATOM 0 HB2 LEU A 40 7.629 -11.305 -2.018 1.00 30.30 H new ATOM 0 HB3 LEU A 40 7.368 -12.419 -3.345 1.00 30.30 H new ATOM 0 HG LEU A 40 8.283 -9.664 -4.048 1.00 1.24 H new ATOM 0 HD11 LEU A 40 10.635 -10.289 -3.604 1.00 0.05 H new ATOM 0 HD12 LEU A 40 9.682 -10.224 -2.103 1.00 0.05 H new ATOM 0 HD13 LEU A 40 10.084 -11.796 -2.835 1.00 0.05 H new ATOM 0 HD21 LEU A 40 9.578 -10.933 -5.732 1.00 2.51 H new ATOM 0 HD22 LEU A 40 9.004 -12.458 -5.017 1.00 2.51 H new ATOM 0 HD23 LEU A 40 7.848 -11.347 -5.789 1.00 2.51 H new ATOM 669 N GLU A 41 5.114 -11.894 -5.275 1.00 3.54 N ATOM 670 CA GLU A 41 4.705 -12.006 -6.670 1.00 55.35 C ATOM 671 C GLU A 41 3.456 -11.181 -6.918 1.00 71.32 C ATOM 672 O GLU A 41 3.288 -10.590 -7.987 1.00 70.34 O ATOM 673 CB GLU A 41 4.444 -13.460 -7.044 1.00 62.34 C ATOM 674 CG GLU A 41 5.609 -14.384 -6.762 1.00 11.04 C ATOM 675 CD GLU A 41 5.384 -15.780 -7.291 1.00 51.53 C ATOM 676 OE1 GLU A 41 4.210 -16.211 -7.374 1.00 63.42 O ATOM 677 OE2 GLU A 41 6.378 -16.453 -7.634 1.00 2.40 O ATOM 0 H GLU A 41 4.994 -12.749 -4.732 1.00 3.54 H new ATOM 0 HA GLU A 41 5.516 -11.627 -7.292 1.00 55.35 H new ATOM 0 HB2 GLU A 41 3.571 -13.815 -6.496 1.00 62.34 H new ATOM 0 HB3 GLU A 41 4.199 -13.514 -8.105 1.00 62.34 H new ATOM 0 HG2 GLU A 41 6.512 -13.971 -7.210 1.00 11.04 H new ATOM 0 HG3 GLU A 41 5.779 -14.430 -5.686 1.00 11.04 H new ATOM 684 N LEU A 42 2.578 -11.154 -5.928 1.00 31.44 N ATOM 685 CA LEU A 42 1.365 -10.359 -6.005 1.00 31.13 C ATOM 686 C LEU A 42 1.723 -8.887 -6.072 1.00 21.54 C ATOM 687 O LEU A 42 1.283 -8.177 -6.969 1.00 14.32 O ATOM 688 CB LEU A 42 0.446 -10.627 -4.799 1.00 71.22 C ATOM 689 CG LEU A 42 -0.477 -11.855 -4.897 1.00 74.41 C ATOM 690 CD1 LEU A 42 0.318 -13.143 -5.037 1.00 35.24 C ATOM 691 CD2 LEU A 42 -1.395 -11.926 -3.687 1.00 75.03 C ATOM 0 H LEU A 42 2.685 -11.676 -5.058 1.00 31.44 H new ATOM 0 HA LEU A 42 0.824 -10.643 -6.908 1.00 31.13 H new ATOM 0 HB2 LEU A 42 1.071 -10.740 -3.913 1.00 71.22 H new ATOM 0 HB3 LEU A 42 -0.175 -9.745 -4.641 1.00 71.22 H new ATOM 0 HG LEU A 42 -1.084 -11.742 -5.795 1.00 74.41 H new ATOM 0 HD11 LEU A 42 -0.367 -13.988 -5.103 1.00 35.24 H new ATOM 0 HD12 LEU A 42 0.927 -13.098 -5.940 1.00 35.24 H new ATOM 0 HD13 LEU A 42 0.965 -13.268 -4.168 1.00 35.24 H new ATOM 0 HD21 LEU A 42 -2.041 -12.800 -3.771 1.00 75.03 H new ATOM 0 HD22 LEU A 42 -0.796 -12.004 -2.780 1.00 75.03 H new ATOM 0 HD23 LEU A 42 -2.007 -11.025 -3.641 1.00 75.03 H new ATOM 703 N ILE A 43 2.554 -8.447 -5.126 1.00 43.24 N ATOM 704 CA ILE A 43 2.999 -7.057 -5.064 1.00 41.15 C ATOM 705 C ILE A 43 3.626 -6.624 -6.382 1.00 32.11 C ATOM 706 O ILE A 43 3.168 -5.664 -7.006 1.00 34.41 O ATOM 707 CB ILE A 43 4.020 -6.842 -3.912 1.00 70.02 C ATOM 708 CG1 ILE A 43 3.364 -7.107 -2.553 1.00 11.33 C ATOM 709 CG2 ILE A 43 4.608 -5.434 -3.957 1.00 4.32 C ATOM 710 CD1 ILE A 43 2.213 -6.176 -2.235 1.00 30.24 C ATOM 0 H ILE A 43 2.934 -9.040 -4.388 1.00 43.24 H new ATOM 0 HA ILE A 43 2.117 -6.447 -4.871 1.00 41.15 H new ATOM 0 HB ILE A 43 4.835 -7.553 -4.047 1.00 70.02 H new ATOM 0 HG12 ILE A 43 3.004 -8.135 -2.529 1.00 11.33 H new ATOM 0 HG13 ILE A 43 4.119 -7.015 -1.772 1.00 11.33 H new ATOM 0 HG21 ILE A 43 5.319 -5.310 -3.140 1.00 4.32 H new ATOM 0 HG22 ILE A 43 5.118 -5.283 -4.908 1.00 4.32 H new ATOM 0 HG23 ILE A 43 3.807 -4.702 -3.855 1.00 4.32 H new ATOM 0 HD11 ILE A 43 1.802 -6.427 -1.257 1.00 30.24 H new ATOM 0 HD12 ILE A 43 2.570 -5.146 -2.225 1.00 30.24 H new ATOM 0 HD13 ILE A 43 1.438 -6.284 -2.993 1.00 30.24 H new ATOM 722 N ASN A 44 4.655 -7.350 -6.815 1.00 34.10 N ATOM 723 CA ASN A 44 5.344 -7.038 -8.066 1.00 24.34 C ATOM 724 C ASN A 44 4.374 -7.028 -9.232 1.00 41.30 C ATOM 725 O ASN A 44 4.402 -6.120 -10.065 1.00 72.34 O ATOM 726 CB ASN A 44 6.477 -8.035 -8.339 1.00 21.44 C ATOM 727 CG ASN A 44 7.674 -7.830 -7.430 1.00 51.14 C ATOM 728 OD1 ASN A 44 7.925 -6.727 -6.942 1.00 11.21 O ATOM 729 ND2 ASN A 44 8.431 -8.884 -7.209 1.00 22.25 N ATOM 0 H ASN A 44 5.030 -8.158 -6.318 1.00 34.10 H new ATOM 0 HA ASN A 44 5.776 -6.043 -7.960 1.00 24.34 H new ATOM 0 HB2 ASN A 44 6.100 -9.050 -8.212 1.00 21.44 H new ATOM 0 HB3 ASN A 44 6.795 -7.941 -9.377 1.00 21.44 H new ATOM 0 HD21 ASN A 44 9.257 -8.803 -6.616 1.00 22.25 H new ATOM 0 HD22 ASN A 44 8.191 -9.781 -7.630 1.00 22.25 H new ATOM 736 N GLY A 45 3.506 -8.030 -9.274 1.00 22.15 N ATOM 737 CA GLY A 45 2.526 -8.117 -10.330 1.00 21.34 C ATOM 738 C GLY A 45 1.621 -6.906 -10.375 1.00 0.21 C ATOM 739 O GLY A 45 1.455 -6.290 -11.426 1.00 53.14 O ATOM 0 H GLY A 45 3.466 -8.786 -8.590 1.00 22.15 H new ATOM 0 HA2 GLY A 45 3.036 -8.223 -11.288 1.00 21.34 H new ATOM 0 HA3 GLY A 45 1.922 -9.014 -10.189 1.00 21.34 H new ATOM 743 N TYR A 46 1.060 -6.546 -9.224 1.00 3.22 N ATOM 744 CA TYR A 46 0.156 -5.402 -9.131 1.00 22.32 C ATOM 745 C TYR A 46 0.863 -4.118 -9.548 1.00 40.34 C ATOM 746 O TYR A 46 0.302 -3.306 -10.286 1.00 51.33 O ATOM 747 CB TYR A 46 -0.411 -5.260 -7.711 1.00 22.24 C ATOM 748 CG TYR A 46 -1.184 -6.474 -7.217 1.00 72.13 C ATOM 749 CD1 TYR A 46 -1.789 -7.358 -8.108 1.00 33.12 C ATOM 750 CD2 TYR A 46 -1.304 -6.736 -5.856 1.00 5.23 C ATOM 751 CE1 TYR A 46 -2.484 -8.463 -7.657 1.00 15.54 C ATOM 752 CE2 TYR A 46 -2.000 -7.840 -5.400 1.00 11.34 C ATOM 753 CZ TYR A 46 -2.588 -8.701 -6.306 1.00 65.44 C ATOM 754 OH TYR A 46 -3.277 -9.804 -5.857 1.00 20.10 O ATOM 0 H TYR A 46 1.216 -7.031 -8.340 1.00 3.22 H new ATOM 0 HA TYR A 46 -0.674 -5.579 -9.815 1.00 22.32 H new ATOM 0 HB2 TYR A 46 0.411 -5.064 -7.023 1.00 22.24 H new ATOM 0 HB3 TYR A 46 -1.067 -4.390 -7.680 1.00 22.24 H new ATOM 0 HD1 TYR A 46 -1.713 -7.176 -9.170 1.00 33.12 H new ATOM 0 HD2 TYR A 46 -0.846 -6.066 -5.144 1.00 5.23 H new ATOM 0 HE1 TYR A 46 -2.945 -9.138 -8.363 1.00 15.54 H new ATOM 0 HE2 TYR A 46 -2.084 -8.028 -4.340 1.00 11.34 H new ATOM 0 HH TYR A 46 -4.239 -9.655 -5.966 1.00 20.10 H new ATOM 764 N ILE A 47 2.102 -3.950 -9.084 1.00 70.41 N ATOM 765 CA ILE A 47 2.908 -2.784 -9.436 1.00 64.11 C ATOM 766 C ILE A 47 3.031 -2.663 -10.952 1.00 54.21 C ATOM 767 O ILE A 47 2.850 -1.580 -11.521 1.00 32.22 O ATOM 768 CB ILE A 47 4.326 -2.861 -8.803 1.00 74.03 C ATOM 769 CG1 ILE A 47 4.234 -2.743 -7.276 1.00 74.55 C ATOM 770 CG2 ILE A 47 5.245 -1.778 -9.374 1.00 5.22 C ATOM 771 CD1 ILE A 47 5.566 -2.880 -6.570 1.00 44.33 C ATOM 0 H ILE A 47 2.569 -4.610 -8.462 1.00 70.41 H new ATOM 0 HA ILE A 47 2.403 -1.903 -9.040 1.00 64.11 H new ATOM 0 HB ILE A 47 4.758 -3.830 -9.053 1.00 74.03 H new ATOM 0 HG12 ILE A 47 3.796 -1.778 -7.021 1.00 74.55 H new ATOM 0 HG13 ILE A 47 3.555 -3.509 -6.902 1.00 74.55 H new ATOM 0 HG21 ILE A 47 6.230 -1.856 -8.913 1.00 5.22 H new ATOM 0 HG22 ILE A 47 5.337 -1.910 -10.452 1.00 5.22 H new ATOM 0 HG23 ILE A 47 4.823 -0.795 -9.164 1.00 5.22 H new ATOM 0 HD11 ILE A 47 5.419 -2.785 -5.494 1.00 44.33 H new ATOM 0 HD12 ILE A 47 5.997 -3.856 -6.793 1.00 44.33 H new ATOM 0 HD13 ILE A 47 6.242 -2.097 -6.914 1.00 44.33 H new ATOM 783 N GLN A 48 3.309 -3.783 -11.600 1.00 51.22 N ATOM 784 CA GLN A 48 3.446 -3.809 -13.043 1.00 31.35 C ATOM 785 C GLN A 48 2.114 -3.496 -13.718 1.00 24.05 C ATOM 786 O GLN A 48 2.060 -2.685 -14.636 1.00 25.32 O ATOM 787 CB GLN A 48 3.975 -5.168 -13.521 1.00 4.24 C ATOM 788 CG GLN A 48 5.312 -5.564 -12.910 1.00 54.22 C ATOM 789 CD GLN A 48 6.397 -4.532 -13.140 1.00 72.32 C ATOM 790 OE1 GLN A 48 6.408 -3.831 -14.153 1.00 23.02 O ATOM 791 NE2 GLN A 48 7.317 -4.434 -12.206 1.00 31.54 N ATOM 0 H GLN A 48 3.444 -4.686 -11.146 1.00 51.22 H new ATOM 0 HA GLN A 48 4.168 -3.041 -13.323 1.00 31.35 H new ATOM 0 HB2 GLN A 48 3.238 -5.936 -13.285 1.00 4.24 H new ATOM 0 HB3 GLN A 48 4.076 -5.145 -14.606 1.00 4.24 H new ATOM 0 HG2 GLN A 48 5.185 -5.716 -11.838 1.00 54.22 H new ATOM 0 HG3 GLN A 48 5.630 -6.517 -13.332 1.00 54.22 H new ATOM 0 HE21 GLN A 48 7.273 -5.033 -11.382 1.00 31.54 H new ATOM 0 HE22 GLN A 48 8.075 -3.759 -12.306 1.00 31.54 H new ATOM 800 N LYS A 49 1.037 -4.120 -13.231 1.00 41.23 N ATOM 801 CA LYS A 49 -0.306 -3.928 -13.800 1.00 72.54 C ATOM 802 C LYS A 49 -0.712 -2.462 -13.795 1.00 20.03 C ATOM 803 O LYS A 49 -1.216 -1.941 -14.795 1.00 53.12 O ATOM 804 CB LYS A 49 -1.343 -4.739 -13.022 1.00 3.33 C ATOM 805 CG LYS A 49 -1.126 -6.237 -13.063 1.00 33.31 C ATOM 806 CD LYS A 49 -2.175 -6.962 -12.243 1.00 73.40 C ATOM 807 CE LYS A 49 -1.914 -8.457 -12.197 1.00 3.33 C ATOM 808 NZ LYS A 49 -2.972 -9.180 -11.450 1.00 53.14 N ATOM 0 H LYS A 49 1.067 -4.765 -12.441 1.00 41.23 H new ATOM 0 HA LYS A 49 -0.269 -4.276 -14.832 1.00 72.54 H new ATOM 0 HB2 LYS A 49 -1.337 -4.412 -11.982 1.00 3.33 H new ATOM 0 HB3 LYS A 49 -2.333 -4.517 -13.420 1.00 3.33 H new ATOM 0 HG2 LYS A 49 -1.162 -6.585 -14.095 1.00 33.31 H new ATOM 0 HG3 LYS A 49 -0.133 -6.475 -12.681 1.00 33.31 H new ATOM 0 HD2 LYS A 49 -2.185 -6.563 -11.229 1.00 73.40 H new ATOM 0 HD3 LYS A 49 -3.162 -6.777 -12.668 1.00 73.40 H new ATOM 0 HE2 LYS A 49 -1.856 -8.847 -13.213 1.00 3.33 H new ATOM 0 HE3 LYS A 49 -0.947 -8.643 -11.729 1.00 3.33 H new ATOM 0 HZ1 LYS A 49 -2.757 -10.198 -11.441 1.00 53.14 H new ATOM 0 HZ2 LYS A 49 -3.011 -8.826 -10.473 1.00 53.14 H new ATOM 0 HZ3 LYS A 49 -3.891 -9.024 -11.911 1.00 53.14 H new ATOM 822 N ILE A 50 -0.489 -1.805 -12.670 1.00 31.32 N ATOM 823 CA ILE A 50 -0.851 -0.405 -12.508 1.00 62.44 C ATOM 824 C ILE A 50 -0.077 0.489 -13.482 1.00 61.14 C ATOM 825 O ILE A 50 -0.633 1.435 -14.046 1.00 34.23 O ATOM 826 CB ILE A 50 -0.612 0.065 -11.051 1.00 24.31 C ATOM 827 CG1 ILE A 50 -1.490 -0.747 -10.094 1.00 12.24 C ATOM 828 CG2 ILE A 50 -0.894 1.557 -10.901 1.00 74.22 C ATOM 829 CD1 ILE A 50 -1.249 -0.441 -8.635 1.00 63.32 C ATOM 0 H ILE A 50 -0.055 -2.223 -11.847 1.00 31.32 H new ATOM 0 HA ILE A 50 -1.914 -0.317 -12.734 1.00 62.44 H new ATOM 0 HB ILE A 50 0.436 -0.101 -10.801 1.00 24.31 H new ATOM 0 HG12 ILE A 50 -2.538 -0.556 -10.327 1.00 12.24 H new ATOM 0 HG13 ILE A 50 -1.313 -1.809 -10.267 1.00 12.24 H new ATOM 0 HG21 ILE A 50 -0.718 1.859 -9.868 1.00 74.22 H new ATOM 0 HG22 ILE A 50 -0.234 2.120 -11.561 1.00 74.22 H new ATOM 0 HG23 ILE A 50 -1.932 1.760 -11.166 1.00 74.22 H new ATOM 0 HD11 ILE A 50 -1.908 -1.055 -8.021 1.00 63.32 H new ATOM 0 HD12 ILE A 50 -0.211 -0.659 -8.384 1.00 63.32 H new ATOM 0 HD13 ILE A 50 -1.454 0.613 -8.445 1.00 63.32 H new ATOM 841 N LYS A 51 1.190 0.174 -13.699 1.00 61.01 N ATOM 842 CA LYS A 51 2.021 0.967 -14.599 1.00 75.02 C ATOM 843 C LYS A 51 1.794 0.582 -16.060 1.00 31.05 C ATOM 844 O LYS A 51 2.132 1.340 -16.966 1.00 52.11 O ATOM 845 CB LYS A 51 3.503 0.829 -14.238 1.00 73.11 C ATOM 846 CG LYS A 51 3.850 1.295 -12.823 1.00 42.20 C ATOM 847 CD LYS A 51 3.496 2.769 -12.574 1.00 32.22 C ATOM 848 CE LYS A 51 4.480 3.742 -13.238 1.00 13.23 C ATOM 849 NZ LYS A 51 4.309 3.831 -14.715 1.00 73.25 N ATOM 0 H LYS A 51 1.666 -0.619 -13.269 1.00 61.01 H new ATOM 0 HA LYS A 51 1.727 2.010 -14.477 1.00 75.02 H new ATOM 0 HB2 LYS A 51 3.796 -0.215 -14.347 1.00 73.11 H new ATOM 0 HB3 LYS A 51 4.094 1.402 -14.952 1.00 73.11 H new ATOM 0 HG2 LYS A 51 3.321 0.673 -12.101 1.00 42.20 H new ATOM 0 HG3 LYS A 51 4.916 1.148 -12.649 1.00 42.20 H new ATOM 0 HD2 LYS A 51 2.491 2.964 -12.949 1.00 32.22 H new ATOM 0 HD3 LYS A 51 3.477 2.956 -11.500 1.00 32.22 H new ATOM 0 HE2 LYS A 51 4.350 4.733 -12.803 1.00 13.23 H new ATOM 0 HE3 LYS A 51 5.499 3.427 -13.015 1.00 13.23 H new ATOM 0 HZ1 LYS A 51 4.332 4.829 -15.008 1.00 73.25 H new ATOM 0 HZ2 LYS A 51 5.079 3.314 -15.185 1.00 73.25 H new ATOM 0 HZ3 LYS A 51 3.396 3.412 -14.985 1.00 73.25 H new ATOM 863 N SER A 52 1.225 -0.596 -16.285 1.00 12.01 N ATOM 864 CA SER A 52 0.940 -1.063 -17.639 1.00 41.01 C ATOM 865 C SER A 52 -0.445 -0.604 -18.084 1.00 52.53 C ATOM 866 O SER A 52 -0.841 -0.806 -19.233 1.00 70.41 O ATOM 867 CB SER A 52 1.034 -2.588 -17.710 1.00 52.25 C ATOM 868 OG SER A 52 2.290 -3.042 -17.240 1.00 64.44 O ATOM 0 H SER A 52 0.951 -1.246 -15.548 1.00 12.01 H new ATOM 0 HA SER A 52 1.683 -0.634 -18.311 1.00 41.01 H new ATOM 0 HB2 SER A 52 0.237 -3.033 -17.115 1.00 52.25 H new ATOM 0 HB3 SER A 52 0.886 -2.917 -18.738 1.00 52.25 H new ATOM 0 HG SER A 52 2.402 -2.782 -16.302 1.00 64.44 H new ATOM 874 N GLY A 53 -1.176 0.003 -17.167 1.00 60.03 N ATOM 875 CA GLY A 53 -2.502 0.479 -17.479 1.00 14.42 C ATOM 876 C GLY A 53 -3.534 -0.628 -17.471 1.00 25.34 C ATOM 877 O GLY A 53 -4.617 -0.473 -18.025 1.00 24.33 O ATOM 0 H GLY A 53 -0.873 0.175 -16.208 1.00 60.03 H new ATOM 0 HA2 GLY A 53 -2.789 1.244 -16.757 1.00 14.42 H new ATOM 0 HA3 GLY A 53 -2.492 0.954 -18.460 1.00 14.42 H new ATOM 881 N GLU A 54 -3.199 -1.748 -16.845 1.00 52.11 N ATOM 882 CA GLU A 54 -4.124 -2.868 -16.760 1.00 71.43 C ATOM 883 C GLU A 54 -5.205 -2.580 -15.741 1.00 32.53 C ATOM 884 O GLU A 54 -6.398 -2.672 -16.037 1.00 4.32 O ATOM 885 CB GLU A 54 -3.405 -4.159 -16.379 1.00 35.20 C ATOM 886 CG GLU A 54 -2.500 -4.719 -17.454 1.00 34.41 C ATOM 887 CD GLU A 54 -1.994 -6.101 -17.103 1.00 14.41 C ATOM 888 OE1 GLU A 54 -2.752 -7.078 -17.275 1.00 23.54 O ATOM 889 OE2 GLU A 54 -0.834 -6.220 -16.657 1.00 13.52 O ATOM 0 H GLU A 54 -2.299 -1.904 -16.391 1.00 52.11 H new ATOM 0 HA GLU A 54 -4.571 -2.998 -17.745 1.00 71.43 H new ATOM 0 HB2 GLU A 54 -2.812 -3.978 -15.482 1.00 35.20 H new ATOM 0 HB3 GLU A 54 -4.150 -4.912 -16.122 1.00 35.20 H new ATOM 0 HG2 GLU A 54 -3.041 -4.760 -18.399 1.00 34.41 H new ATOM 0 HG3 GLU A 54 -1.653 -4.049 -17.601 1.00 34.41 H new ATOM 896 N GLU A 55 -4.781 -2.234 -14.541 1.00 41.22 N ATOM 897 CA GLU A 55 -5.696 -1.945 -13.456 1.00 63.21 C ATOM 898 C GLU A 55 -5.219 -0.720 -12.693 1.00 60.22 C ATOM 899 O GLU A 55 -4.041 -0.355 -12.766 1.00 12.42 O ATOM 900 CB GLU A 55 -5.810 -3.159 -12.516 1.00 11.40 C ATOM 901 CG GLU A 55 -6.236 -4.436 -13.227 1.00 3.21 C ATOM 902 CD GLU A 55 -6.382 -5.624 -12.305 1.00 2.52 C ATOM 903 OE1 GLU A 55 -5.357 -6.203 -11.906 1.00 53.01 O ATOM 904 OE2 GLU A 55 -7.531 -6.004 -11.997 1.00 64.24 O ATOM 0 H GLU A 55 -3.796 -2.146 -14.292 1.00 41.22 H new ATOM 0 HA GLU A 55 -6.684 -1.739 -13.868 1.00 63.21 H new ATOM 0 HB2 GLU A 55 -4.848 -3.325 -12.031 1.00 11.40 H new ATOM 0 HB3 GLU A 55 -6.529 -2.933 -11.728 1.00 11.40 H new ATOM 0 HG2 GLU A 55 -7.186 -4.261 -13.732 1.00 3.21 H new ATOM 0 HG3 GLU A 55 -5.503 -4.674 -13.998 1.00 3.21 H new ATOM 911 N ASP A 56 -6.125 -0.078 -11.988 1.00 10.43 N ATOM 912 CA ASP A 56 -5.787 1.109 -11.219 1.00 10.11 C ATOM 913 C ASP A 56 -5.625 0.765 -9.744 1.00 63.04 C ATOM 914 O ASP A 56 -6.236 -0.184 -9.256 1.00 25.41 O ATOM 915 CB ASP A 56 -6.858 2.188 -11.399 1.00 72.01 C ATOM 916 CG ASP A 56 -6.494 3.481 -10.710 1.00 3.44 C ATOM 917 OD1 ASP A 56 -5.806 4.315 -11.327 1.00 62.21 O ATOM 918 OD2 ASP A 56 -6.890 3.671 -9.546 1.00 72.42 O ATOM 0 H ASP A 56 -7.105 -0.356 -11.929 1.00 10.43 H new ATOM 0 HA ASP A 56 -4.838 1.497 -11.589 1.00 10.11 H new ATOM 0 HB2 ASP A 56 -7.006 2.375 -12.463 1.00 72.01 H new ATOM 0 HB3 ASP A 56 -7.807 1.824 -11.005 1.00 72.01 H new ATOM 923 N PHE A 57 -4.808 1.544 -9.042 1.00 30.40 N ATOM 924 CA PHE A 57 -4.522 1.308 -7.628 1.00 51.34 C ATOM 925 C PHE A 57 -5.791 1.379 -6.776 1.00 32.41 C ATOM 926 O PHE A 57 -5.988 0.553 -5.886 1.00 3.31 O ATOM 927 CB PHE A 57 -3.488 2.316 -7.118 1.00 1.21 C ATOM 928 CG PHE A 57 -2.961 2.016 -5.736 1.00 72.41 C ATOM 929 CD1 PHE A 57 -3.611 2.493 -4.609 1.00 33.40 C ATOM 930 CD2 PHE A 57 -1.814 1.259 -5.570 1.00 15.24 C ATOM 931 CE1 PHE A 57 -3.125 2.217 -3.346 1.00 44.42 C ATOM 932 CE2 PHE A 57 -1.326 0.983 -4.310 1.00 35.20 C ATOM 933 CZ PHE A 57 -1.981 1.463 -3.198 1.00 73.13 C ATOM 0 H PHE A 57 -4.327 2.354 -9.434 1.00 30.40 H new ATOM 0 HA PHE A 57 -4.115 0.301 -7.538 1.00 51.34 H new ATOM 0 HB2 PHE A 57 -2.651 2.345 -7.815 1.00 1.21 H new ATOM 0 HB3 PHE A 57 -3.936 3.310 -7.116 1.00 1.21 H new ATOM 0 HD1 PHE A 57 -4.507 3.086 -4.719 1.00 33.40 H new ATOM 0 HD2 PHE A 57 -1.295 0.880 -6.438 1.00 15.24 H new ATOM 0 HE1 PHE A 57 -3.641 2.592 -2.475 1.00 44.42 H new ATOM 0 HE2 PHE A 57 -0.430 0.391 -4.195 1.00 35.20 H new ATOM 0 HZ PHE A 57 -1.599 1.249 -2.211 1.00 73.13 H new ATOM 943 N GLU A 58 -6.652 2.356 -7.056 1.00 61.43 N ATOM 944 CA GLU A 58 -7.890 2.516 -6.297 1.00 3.13 C ATOM 945 C GLU A 58 -8.791 1.303 -6.492 1.00 2.15 C ATOM 946 O GLU A 58 -9.401 0.802 -5.541 1.00 24.23 O ATOM 947 CB GLU A 58 -8.627 3.790 -6.718 1.00 35.42 C ATOM 948 CG GLU A 58 -7.906 5.080 -6.346 1.00 71.30 C ATOM 949 CD GLU A 58 -8.645 6.314 -6.825 1.00 24.32 C ATOM 950 OE1 GLU A 58 -9.585 6.763 -6.132 1.00 34.02 O ATOM 951 OE2 GLU A 58 -8.300 6.837 -7.905 1.00 24.34 O ATOM 0 H GLU A 58 -6.517 3.044 -7.797 1.00 61.43 H new ATOM 0 HA GLU A 58 -7.632 2.600 -5.241 1.00 3.13 H new ATOM 0 HB2 GLU A 58 -8.778 3.769 -7.797 1.00 35.42 H new ATOM 0 HB3 GLU A 58 -9.615 3.794 -6.258 1.00 35.42 H new ATOM 0 HG2 GLU A 58 -7.788 5.128 -5.263 1.00 71.30 H new ATOM 0 HG3 GLU A 58 -6.904 5.070 -6.776 1.00 71.30 H new ATOM 958 N SER A 59 -8.852 0.824 -7.722 1.00 31.43 N ATOM 959 CA SER A 59 -9.644 -0.346 -8.049 1.00 13.32 C ATOM 960 C SER A 59 -9.019 -1.594 -7.430 1.00 32.14 C ATOM 961 O SER A 59 -9.721 -2.527 -7.031 1.00 45.31 O ATOM 962 CB SER A 59 -9.729 -0.504 -9.564 1.00 62.03 C ATOM 963 OG SER A 59 -10.143 0.706 -10.180 1.00 72.32 O ATOM 0 H SER A 59 -8.358 1.232 -8.516 1.00 31.43 H new ATOM 0 HA SER A 59 -10.648 -0.219 -7.645 1.00 13.32 H new ATOM 0 HB2 SER A 59 -8.757 -0.802 -9.957 1.00 62.03 H new ATOM 0 HB3 SER A 59 -10.431 -1.301 -9.811 1.00 62.03 H new ATOM 0 HG SER A 59 -10.188 0.580 -11.151 1.00 72.32 H new ATOM 969 N LEU A 60 -7.697 -1.591 -7.354 1.00 4.04 N ATOM 970 CA LEU A 60 -6.945 -2.692 -6.782 1.00 51.23 C ATOM 971 C LEU A 60 -7.180 -2.780 -5.278 1.00 13.15 C ATOM 972 O LEU A 60 -7.533 -3.834 -4.763 1.00 25.53 O ATOM 973 CB LEU A 60 -5.453 -2.503 -7.064 1.00 23.22 C ATOM 974 CG LEU A 60 -4.527 -3.596 -6.538 1.00 52.30 C ATOM 975 CD1 LEU A 60 -4.729 -4.890 -7.309 1.00 63.02 C ATOM 976 CD2 LEU A 60 -3.082 -3.144 -6.615 1.00 41.41 C ATOM 0 H LEU A 60 -7.116 -0.822 -7.689 1.00 4.04 H new ATOM 0 HA LEU A 60 -7.286 -3.620 -7.241 1.00 51.23 H new ATOM 0 HB2 LEU A 60 -5.315 -2.426 -8.142 1.00 23.22 H new ATOM 0 HB3 LEU A 60 -5.140 -1.552 -6.634 1.00 23.22 H new ATOM 0 HG LEU A 60 -4.774 -3.785 -5.493 1.00 52.30 H new ATOM 0 HD11 LEU A 60 -4.059 -5.655 -6.917 1.00 63.02 H new ATOM 0 HD12 LEU A 60 -5.762 -5.221 -7.200 1.00 63.02 H new ATOM 0 HD13 LEU A 60 -4.512 -4.723 -8.364 1.00 63.02 H new ATOM 0 HD21 LEU A 60 -2.433 -3.934 -6.236 1.00 41.41 H new ATOM 0 HD22 LEU A 60 -2.823 -2.927 -7.651 1.00 41.41 H new ATOM 0 HD23 LEU A 60 -2.949 -2.245 -6.012 1.00 41.41 H new ATOM 988 N ALA A 61 -6.999 -1.655 -4.592 1.00 54.23 N ATOM 989 CA ALA A 61 -7.159 -1.589 -3.140 1.00 5.21 C ATOM 990 C ALA A 61 -8.552 -2.020 -2.710 1.00 55.53 C ATOM 991 O ALA A 61 -8.713 -2.694 -1.702 1.00 60.30 O ATOM 992 CB ALA A 61 -6.864 -0.180 -2.641 1.00 40.45 C ATOM 0 H ALA A 61 -6.739 -0.768 -5.022 1.00 54.23 H new ATOM 0 HA ALA A 61 -6.446 -2.283 -2.695 1.00 5.21 H new ATOM 0 HB1 ALA A 61 -6.987 -0.144 -1.559 1.00 40.45 H new ATOM 0 HB2 ALA A 61 -5.840 0.091 -2.899 1.00 40.45 H new ATOM 0 HB3 ALA A 61 -7.554 0.523 -3.108 1.00 40.45 H new ATOM 998 N SER A 62 -9.545 -1.647 -3.503 1.00 4.51 N ATOM 999 CA SER A 62 -10.941 -1.966 -3.221 1.00 41.10 C ATOM 1000 C SER A 62 -11.248 -3.467 -3.412 1.00 52.34 C ATOM 1001 O SER A 62 -12.375 -3.914 -3.176 1.00 15.14 O ATOM 1002 CB SER A 62 -11.851 -1.126 -4.122 1.00 2.35 C ATOM 1003 OG SER A 62 -11.575 0.267 -3.973 1.00 55.11 O ATOM 0 H SER A 62 -9.408 -1.114 -4.362 1.00 4.51 H new ATOM 0 HA SER A 62 -11.130 -1.729 -2.174 1.00 41.10 H new ATOM 0 HB2 SER A 62 -11.709 -1.419 -5.162 1.00 2.35 H new ATOM 0 HB3 SER A 62 -12.894 -1.322 -3.875 1.00 2.35 H new ATOM 0 HG SER A 62 -10.735 0.484 -4.428 1.00 55.11 H new ATOM 1009 N GLN A 63 -10.251 -4.240 -3.833 1.00 51.32 N ATOM 1010 CA GLN A 63 -10.451 -5.663 -4.074 1.00 33.44 C ATOM 1011 C GLN A 63 -9.309 -6.500 -3.504 1.00 51.35 C ATOM 1012 O GLN A 63 -9.475 -7.195 -2.497 1.00 21.42 O ATOM 1013 CB GLN A 63 -10.582 -5.937 -5.571 1.00 0.51 C ATOM 1014 CG GLN A 63 -11.784 -5.280 -6.221 1.00 75.44 C ATOM 1015 CD GLN A 63 -11.787 -5.454 -7.719 1.00 65.31 C ATOM 1016 OE1 GLN A 63 -12.341 -6.417 -8.246 1.00 12.54 O ATOM 1017 NE2 GLN A 63 -11.154 -4.536 -8.412 1.00 63.21 N ATOM 0 H GLN A 63 -9.304 -3.907 -4.013 1.00 51.32 H new ATOM 0 HA GLN A 63 -11.372 -5.950 -3.566 1.00 33.44 H new ATOM 0 HB2 GLN A 63 -9.678 -5.592 -6.073 1.00 0.51 H new ATOM 0 HB3 GLN A 63 -10.642 -7.014 -5.728 1.00 0.51 H new ATOM 0 HG2 GLN A 63 -12.697 -5.706 -5.806 1.00 75.44 H new ATOM 0 HG3 GLN A 63 -11.789 -4.217 -5.980 1.00 75.44 H new ATOM 0 HE21 GLN A 63 -10.708 -3.753 -7.934 1.00 63.21 H new ATOM 0 HE22 GLN A 63 -11.108 -4.606 -9.429 1.00 63.21 H new ATOM 1026 N PHE A 64 -8.150 -6.416 -4.139 1.00 14.04 N ATOM 1027 CA PHE A 64 -7.001 -7.219 -3.756 1.00 44.12 C ATOM 1028 C PHE A 64 -6.227 -6.589 -2.608 1.00 51.43 C ATOM 1029 O PHE A 64 -5.132 -6.064 -2.790 1.00 55.03 O ATOM 1030 CB PHE A 64 -6.080 -7.458 -4.956 1.00 72.41 C ATOM 1031 CG PHE A 64 -6.725 -8.235 -6.072 1.00 22.52 C ATOM 1032 CD1 PHE A 64 -6.665 -9.619 -6.095 1.00 1.05 C ATOM 1033 CD2 PHE A 64 -7.390 -7.581 -7.098 1.00 62.42 C ATOM 1034 CE1 PHE A 64 -7.255 -10.335 -7.118 1.00 43.51 C ATOM 1035 CE2 PHE A 64 -7.982 -8.291 -8.123 1.00 50.31 C ATOM 1036 CZ PHE A 64 -7.914 -9.671 -8.133 1.00 62.54 C ATOM 0 H PHE A 64 -7.981 -5.793 -4.929 1.00 14.04 H new ATOM 0 HA PHE A 64 -7.380 -8.180 -3.409 1.00 44.12 H new ATOM 0 HB2 PHE A 64 -5.745 -6.495 -5.342 1.00 72.41 H new ATOM 0 HB3 PHE A 64 -5.192 -7.993 -4.620 1.00 72.41 H new ATOM 0 HD1 PHE A 64 -6.151 -10.144 -5.304 1.00 1.05 H new ATOM 0 HD2 PHE A 64 -7.445 -6.502 -7.095 1.00 62.42 H new ATOM 0 HE1 PHE A 64 -7.201 -11.414 -7.124 1.00 43.51 H new ATOM 0 HE2 PHE A 64 -8.497 -7.769 -8.916 1.00 50.31 H new ATOM 0 HZ PHE A 64 -8.376 -10.229 -8.934 1.00 62.54 H new ATOM 1046 N SER A 65 -6.820 -6.624 -1.441 1.00 75.14 N ATOM 1047 CA SER A 65 -6.196 -6.133 -0.243 1.00 41.45 C ATOM 1048 C SER A 65 -6.793 -6.852 0.947 1.00 15.01 C ATOM 1049 O SER A 65 -7.974 -7.201 0.937 1.00 45.00 O ATOM 1050 CB SER A 65 -6.390 -4.618 -0.103 1.00 15.41 C ATOM 1051 OG SER A 65 -5.598 -4.104 0.961 1.00 42.45 O ATOM 0 H SER A 65 -7.758 -6.998 -1.297 1.00 75.14 H new ATOM 0 HA SER A 65 -5.124 -6.325 -0.293 1.00 41.45 H new ATOM 0 HB2 SER A 65 -6.118 -4.124 -1.036 1.00 15.41 H new ATOM 0 HB3 SER A 65 -7.441 -4.397 0.080 1.00 15.41 H new ATOM 0 HG SER A 65 -4.887 -4.743 1.178 1.00 42.45 H new ATOM 1057 N ASP A 66 -5.987 -7.093 1.957 1.00 55.04 N ATOM 1058 CA ASP A 66 -6.451 -7.799 3.138 1.00 51.41 C ATOM 1059 C ASP A 66 -6.755 -6.831 4.265 1.00 53.03 C ATOM 1060 O ASP A 66 -7.017 -7.241 5.395 1.00 74.11 O ATOM 1061 CB ASP A 66 -5.418 -8.827 3.600 1.00 15.33 C ATOM 1062 CG ASP A 66 -5.130 -9.892 2.560 1.00 71.45 C ATOM 1063 OD1 ASP A 66 -6.073 -10.588 2.132 1.00 70.14 O ATOM 1064 OD2 ASP A 66 -3.956 -10.030 2.166 1.00 75.40 O ATOM 0 H ASP A 66 -5.007 -6.812 1.988 1.00 55.04 H new ATOM 0 HA ASP A 66 -7.369 -8.321 2.870 1.00 51.41 H new ATOM 0 HB2 ASP A 66 -4.490 -8.313 3.851 1.00 15.33 H new ATOM 0 HB3 ASP A 66 -5.774 -9.306 4.512 1.00 15.33 H new ATOM 1069 N ALA A 67 -6.727 -5.550 3.960 1.00 44.11 N ATOM 1070 CA ALA A 67 -7.001 -4.529 4.953 1.00 23.51 C ATOM 1071 C ALA A 67 -8.352 -3.887 4.707 1.00 43.15 C ATOM 1072 O ALA A 67 -9.013 -4.163 3.703 1.00 35.32 O ATOM 1073 CB ALA A 67 -5.913 -3.471 4.947 1.00 53.21 C ATOM 0 H ALA A 67 -6.517 -5.189 3.029 1.00 44.11 H new ATOM 0 HA ALA A 67 -7.018 -5.008 5.932 1.00 23.51 H new ATOM 0 HB1 ALA A 67 -6.137 -2.714 5.699 1.00 53.21 H new ATOM 0 HB2 ALA A 67 -4.953 -3.935 5.174 1.00 53.21 H new ATOM 0 HB3 ALA A 67 -5.866 -3.003 3.964 1.00 53.21 H new ATOM 1079 N SER A 68 -8.743 -3.010 5.613 1.00 31.41 N ATOM 1080 CA SER A 68 -10.008 -2.308 5.519 1.00 15.45 C ATOM 1081 C SER A 68 -9.960 -1.253 4.405 1.00 63.23 C ATOM 1082 O SER A 68 -10.972 -0.636 4.071 1.00 11.14 O ATOM 1083 CB SER A 68 -10.327 -1.656 6.862 1.00 64.32 C ATOM 1084 OG SER A 68 -10.168 -2.592 7.925 1.00 2.12 O ATOM 0 H SER A 68 -8.191 -2.765 6.435 1.00 31.41 H new ATOM 0 HA SER A 68 -10.794 -3.021 5.271 1.00 15.45 H new ATOM 0 HB2 SER A 68 -9.670 -0.801 7.022 1.00 64.32 H new ATOM 0 HB3 SER A 68 -11.349 -1.276 6.854 1.00 64.32 H new ATOM 0 HG SER A 68 -10.375 -2.156 8.778 1.00 2.12 H new ATOM 1090 N SER A 69 -8.767 -1.072 3.831 1.00 54.43 N ATOM 1091 CA SER A 69 -8.544 -0.124 2.750 1.00 45.03 C ATOM 1092 C SER A 69 -9.470 -0.416 1.563 1.00 1.40 C ATOM 1093 O SER A 69 -9.847 0.489 0.822 1.00 1.13 O ATOM 1094 CB SER A 69 -7.080 -0.189 2.310 1.00 62.23 C ATOM 1095 OG SER A 69 -6.209 -0.040 3.429 1.00 12.15 O ATOM 0 H SER A 69 -7.929 -1.584 4.108 1.00 54.43 H new ATOM 0 HA SER A 69 -8.771 0.879 3.111 1.00 45.03 H new ATOM 0 HB2 SER A 69 -6.886 -1.141 1.816 1.00 62.23 H new ATOM 0 HB3 SER A 69 -6.880 0.595 1.580 1.00 62.23 H new ATOM 0 HG SER A 69 -5.805 0.853 3.412 1.00 12.15 H new ATOM 1101 N ALA A 70 -9.848 -1.687 1.415 1.00 50.42 N ATOM 1102 CA ALA A 70 -10.737 -2.119 0.347 1.00 4.54 C ATOM 1103 C ALA A 70 -12.084 -1.399 0.406 1.00 22.12 C ATOM 1104 O ALA A 70 -12.715 -1.156 -0.621 1.00 24.51 O ATOM 1105 CB ALA A 70 -10.944 -3.622 0.416 1.00 13.54 C ATOM 0 H ALA A 70 -9.545 -2.440 2.033 1.00 50.42 H new ATOM 0 HA ALA A 70 -10.265 -1.862 -0.602 1.00 4.54 H new ATOM 0 HB1 ALA A 70 -11.611 -3.935 -0.388 1.00 13.54 H new ATOM 0 HB2 ALA A 70 -9.984 -4.127 0.308 1.00 13.54 H new ATOM 0 HB3 ALA A 70 -11.386 -3.885 1.377 1.00 13.54 H new ATOM 1111 N LYS A 71 -12.514 -1.054 1.609 1.00 44.12 N ATOM 1112 CA LYS A 71 -13.785 -0.376 1.798 1.00 51.02 C ATOM 1113 C LYS A 71 -13.566 1.098 2.118 1.00 32.53 C ATOM 1114 O LYS A 71 -14.506 1.831 2.420 1.00 52.21 O ATOM 1115 CB LYS A 71 -14.584 -1.043 2.917 1.00 43.33 C ATOM 1116 CG LYS A 71 -14.858 -2.522 2.684 1.00 74.24 C ATOM 1117 CD LYS A 71 -15.714 -3.120 3.792 1.00 61.14 C ATOM 1118 CE LYS A 71 -17.087 -2.468 3.855 1.00 43.23 C ATOM 1119 NZ LYS A 71 -17.973 -3.133 4.836 1.00 51.53 N ATOM 0 H LYS A 71 -11.999 -1.233 2.471 1.00 44.12 H new ATOM 0 HA LYS A 71 -14.352 -0.449 0.870 1.00 51.02 H new ATOM 0 HB2 LYS A 71 -14.042 -0.928 3.855 1.00 43.33 H new ATOM 0 HB3 LYS A 71 -15.534 -0.521 3.032 1.00 43.33 H new ATOM 0 HG2 LYS A 71 -15.361 -2.652 1.726 1.00 74.24 H new ATOM 0 HG3 LYS A 71 -13.913 -3.062 2.623 1.00 74.24 H new ATOM 0 HD2 LYS A 71 -15.827 -4.191 3.627 1.00 61.14 H new ATOM 0 HD3 LYS A 71 -15.208 -2.997 4.750 1.00 61.14 H new ATOM 0 HE2 LYS A 71 -16.977 -1.417 4.121 1.00 43.23 H new ATOM 0 HE3 LYS A 71 -17.549 -2.501 2.868 1.00 43.23 H new ATOM 0 HZ1 LYS A 71 -18.898 -2.657 4.847 1.00 51.53 H new ATOM 0 HZ2 LYS A 71 -18.100 -4.130 4.569 1.00 51.53 H new ATOM 0 HZ3 LYS A 71 -17.545 -3.079 5.782 1.00 51.53 H new ATOM 1133 N ALA A 72 -12.320 1.527 2.033 1.00 41.34 N ATOM 1134 CA ALA A 72 -11.965 2.903 2.326 1.00 44.01 C ATOM 1135 C ALA A 72 -11.296 3.551 1.122 1.00 10.13 C ATOM 1136 O ALA A 72 -10.682 4.617 1.240 1.00 64.32 O ATOM 1137 CB ALA A 72 -11.048 2.959 3.542 1.00 41.21 C ATOM 0 H ALA A 72 -11.533 0.938 1.762 1.00 41.34 H new ATOM 0 HA ALA A 72 -12.876 3.459 2.549 1.00 44.01 H new ATOM 0 HB1 ALA A 72 -10.787 3.996 3.754 1.00 41.21 H new ATOM 0 HB2 ALA A 72 -11.560 2.530 4.404 1.00 41.21 H new ATOM 0 HB3 ALA A 72 -10.140 2.391 3.340 1.00 41.21 H new ATOM 1143 N ARG A 73 -11.412 2.879 -0.036 1.00 22.12 N ATOM 1144 CA ARG A 73 -10.837 3.337 -1.319 1.00 34.34 C ATOM 1145 C ARG A 73 -9.311 3.157 -1.349 1.00 44.12 C ATOM 1146 O ARG A 73 -8.722 2.960 -2.409 1.00 20.54 O ATOM 1147 CB ARG A 73 -11.222 4.800 -1.615 1.00 40.45 C ATOM 1148 CG ARG A 73 -10.897 5.265 -3.032 1.00 13.34 C ATOM 1149 CD ARG A 73 -11.694 4.484 -4.070 1.00 61.31 C ATOM 1150 NE ARG A 73 -11.486 4.999 -5.428 1.00 2.04 N ATOM 1151 CZ ARG A 73 -12.141 4.560 -6.508 1.00 30.15 C ATOM 1152 NH1 ARG A 73 -13.015 3.563 -6.401 1.00 20.15 N ATOM 1153 NH2 ARG A 73 -11.912 5.116 -7.697 1.00 24.04 N ATOM 0 H ARG A 73 -11.912 1.993 -0.112 1.00 22.12 H new ATOM 0 HA ARG A 73 -11.261 2.712 -2.105 1.00 34.34 H new ATOM 0 HB2 ARG A 73 -12.291 4.923 -1.442 1.00 40.45 H new ATOM 0 HB3 ARG A 73 -10.707 5.449 -0.906 1.00 40.45 H new ATOM 0 HG2 ARG A 73 -11.117 6.328 -3.127 1.00 13.34 H new ATOM 0 HG3 ARG A 73 -9.831 5.142 -3.221 1.00 13.34 H new ATOM 0 HD2 ARG A 73 -11.405 3.434 -4.033 1.00 61.31 H new ATOM 0 HD3 ARG A 73 -12.755 4.532 -3.823 1.00 61.31 H new ATOM 0 HE ARG A 73 -10.797 5.740 -5.557 1.00 2.04 H new ATOM 0 HH11 ARG A 73 -13.187 3.131 -5.493 1.00 20.15 H new ATOM 0 HH12 ARG A 73 -13.513 3.231 -7.227 1.00 20.15 H new ATOM 0 HH21 ARG A 73 -11.237 5.876 -7.783 1.00 24.04 H new ATOM 0 HH22 ARG A 73 -12.411 4.781 -8.521 1.00 24.04 H new ATOM 1167 N GLY A 74 -8.686 3.230 -0.182 1.00 31.51 N ATOM 1168 CA GLY A 74 -7.251 3.060 -0.085 1.00 53.11 C ATOM 1169 C GLY A 74 -6.536 4.377 0.088 1.00 74.01 C ATOM 1170 O GLY A 74 -5.376 4.417 0.504 1.00 53.34 O ATOM 0 H GLY A 74 -9.153 3.406 0.707 1.00 31.51 H new ATOM 0 HA2 GLY A 74 -7.019 2.408 0.758 1.00 53.11 H new ATOM 0 HA3 GLY A 74 -6.883 2.563 -0.983 1.00 53.11 H new ATOM 1174 N ASP A 75 -7.237 5.454 -0.211 1.00 55.25 N ATOM 1175 CA ASP A 75 -6.674 6.796 -0.127 1.00 60.33 C ATOM 1176 C ASP A 75 -6.704 7.307 1.309 1.00 73.41 C ATOM 1177 O ASP A 75 -7.709 7.154 2.013 1.00 30.53 O ATOM 1178 CB ASP A 75 -7.448 7.747 -1.040 1.00 62.32 C ATOM 1179 CG ASP A 75 -6.867 9.147 -1.069 1.00 23.00 C ATOM 1180 OD1 ASP A 75 -5.954 9.400 -1.876 1.00 31.31 O ATOM 1181 OD2 ASP A 75 -7.334 10.003 -0.299 1.00 43.24 O ATOM 0 H ASP A 75 -8.209 5.428 -0.518 1.00 55.25 H new ATOM 0 HA ASP A 75 -5.635 6.754 -0.454 1.00 60.33 H new ATOM 0 HB2 ASP A 75 -7.457 7.343 -2.052 1.00 62.32 H new ATOM 0 HB3 ASP A 75 -8.485 7.797 -0.708 1.00 62.32 H new ATOM 1186 N LEU A 76 -5.601 7.899 1.745 1.00 63.31 N ATOM 1187 CA LEU A 76 -5.494 8.430 3.102 1.00 31.43 C ATOM 1188 C LEU A 76 -5.638 9.945 3.115 1.00 33.33 C ATOM 1189 O LEU A 76 -5.647 10.568 4.179 1.00 22.12 O ATOM 1190 CB LEU A 76 -4.148 8.037 3.718 1.00 41.44 C ATOM 1191 CG LEU A 76 -3.930 6.543 3.949 1.00 3.44 C ATOM 1192 CD1 LEU A 76 -2.496 6.275 4.375 1.00 13.43 C ATOM 1193 CD2 LEU A 76 -4.901 6.022 4.999 1.00 70.32 C ATOM 0 H LEU A 76 -4.763 8.025 1.178 1.00 63.31 H new ATOM 0 HA LEU A 76 -6.304 8.002 3.692 1.00 31.43 H new ATOM 0 HB2 LEU A 76 -3.353 8.404 3.069 1.00 41.44 H new ATOM 0 HB3 LEU A 76 -4.044 8.552 4.673 1.00 41.44 H new ATOM 0 HG LEU A 76 -4.116 6.017 3.012 1.00 3.44 H new ATOM 0 HD11 LEU A 76 -2.358 5.206 4.535 1.00 13.43 H new ATOM 0 HD12 LEU A 76 -1.815 6.616 3.595 1.00 13.43 H new ATOM 0 HD13 LEU A 76 -2.285 6.811 5.300 1.00 13.43 H new ATOM 0 HD21 LEU A 76 -4.733 4.956 5.153 1.00 70.32 H new ATOM 0 HD22 LEU A 76 -4.742 6.553 5.937 1.00 70.32 H new ATOM 0 HD23 LEU A 76 -5.924 6.183 4.660 1.00 70.32 H new ATOM 1205 N GLY A 77 -5.765 10.532 1.941 1.00 0.44 N ATOM 1206 CA GLY A 77 -5.863 11.970 1.844 1.00 31.13 C ATOM 1207 C GLY A 77 -4.519 12.636 2.021 1.00 32.33 C ATOM 1208 O GLY A 77 -3.487 11.964 2.046 1.00 55.44 O ATOM 0 H GLY A 77 -5.802 10.038 1.049 1.00 0.44 H new ATOM 0 HA2 GLY A 77 -6.278 12.242 0.874 1.00 31.13 H new ATOM 0 HA3 GLY A 77 -6.554 12.339 2.601 1.00 31.13 H new ATOM 1212 N ALA A 78 -4.519 13.949 2.131 1.00 51.04 N ATOM 1213 CA ALA A 78 -3.290 14.690 2.327 1.00 71.35 C ATOM 1214 C ALA A 78 -2.955 14.754 3.805 1.00 40.02 C ATOM 1215 O ALA A 78 -3.614 15.464 4.570 1.00 32.52 O ATOM 1216 CB ALA A 78 -3.407 16.090 1.742 1.00 34.02 C ATOM 0 H ALA A 78 -5.359 14.526 2.088 1.00 51.04 H new ATOM 0 HA ALA A 78 -2.483 14.174 1.806 1.00 71.35 H new ATOM 0 HB1 ALA A 78 -2.473 16.630 1.900 1.00 34.02 H new ATOM 0 HB2 ALA A 78 -3.610 16.022 0.673 1.00 34.02 H new ATOM 0 HB3 ALA A 78 -4.221 16.623 2.233 1.00 34.02 H new ATOM 1222 N PHE A 79 -1.933 14.027 4.205 1.00 73.10 N ATOM 1223 CA PHE A 79 -1.543 13.969 5.602 1.00 12.02 C ATOM 1224 C PHE A 79 -0.168 14.582 5.810 1.00 72.42 C ATOM 1225 O PHE A 79 0.648 14.633 4.882 1.00 11.34 O ATOM 1226 CB PHE A 79 -1.576 12.519 6.123 1.00 14.11 C ATOM 1227 CG PHE A 79 -0.714 11.552 5.344 1.00 41.53 C ATOM 1228 CD1 PHE A 79 0.616 11.349 5.688 1.00 11.22 C ATOM 1229 CD2 PHE A 79 -1.238 10.842 4.274 1.00 75.13 C ATOM 1230 CE1 PHE A 79 1.403 10.463 4.978 1.00 31.22 C ATOM 1231 CE2 PHE A 79 -0.456 9.956 3.561 1.00 5.24 C ATOM 1232 CZ PHE A 79 0.866 9.764 3.914 1.00 2.12 C ATOM 0 H PHE A 79 -1.354 13.465 3.581 1.00 73.10 H new ATOM 0 HA PHE A 79 -2.264 14.553 6.174 1.00 12.02 H new ATOM 0 HB2 PHE A 79 -1.255 12.514 7.165 1.00 14.11 H new ATOM 0 HB3 PHE A 79 -2.606 12.163 6.105 1.00 14.11 H new ATOM 0 HD1 PHE A 79 1.040 11.890 6.521 1.00 11.22 H new ATOM 0 HD2 PHE A 79 -2.272 10.984 3.995 1.00 75.13 H new ATOM 0 HE1 PHE A 79 2.437 10.317 5.254 1.00 31.22 H new ATOM 0 HE2 PHE A 79 -0.877 9.413 2.728 1.00 5.24 H new ATOM 0 HZ PHE A 79 1.479 9.069 3.359 1.00 2.12 H new ATOM 1242 N SER A 80 0.070 15.067 7.016 1.00 31.13 N ATOM 1243 CA SER A 80 1.328 15.698 7.355 1.00 12.04 C ATOM 1244 C SER A 80 2.311 14.672 7.916 1.00 53.30 C ATOM 1245 O SER A 80 1.933 13.546 8.252 1.00 71.40 O ATOM 1246 CB SER A 80 1.094 16.829 8.368 1.00 74.33 C ATOM 1247 OG SER A 80 2.250 17.646 8.515 1.00 23.00 O ATOM 0 H SER A 80 -0.602 15.034 7.783 1.00 31.13 H new ATOM 0 HA SER A 80 1.760 16.123 6.449 1.00 12.04 H new ATOM 0 HB2 SER A 80 0.253 17.442 8.043 1.00 74.33 H new ATOM 0 HB3 SER A 80 0.823 16.403 9.334 1.00 74.33 H new ATOM 0 HG SER A 80 2.692 17.746 7.646 1.00 23.00 H new ATOM 1253 N ARG A 81 3.565 15.076 8.020 1.00 40.30 N ATOM 1254 CA ARG A 81 4.625 14.211 8.508 1.00 14.02 C ATOM 1255 C ARG A 81 4.675 14.206 10.034 1.00 12.30 C ATOM 1256 O ARG A 81 4.275 15.175 10.685 1.00 30.04 O ATOM 1257 CB ARG A 81 5.973 14.659 7.935 1.00 2.14 C ATOM 1258 CG ARG A 81 6.358 16.086 8.305 1.00 62.54 C ATOM 1259 CD ARG A 81 7.656 16.501 7.640 1.00 40.32 C ATOM 1260 NE ARG A 81 8.101 17.830 8.073 1.00 73.43 N ATOM 1261 CZ ARG A 81 9.101 18.507 7.501 1.00 12.40 C ATOM 1262 NH1 ARG A 81 9.723 18.007 6.445 1.00 42.22 N ATOM 1263 NH2 ARG A 81 9.472 19.686 7.989 1.00 50.05 N ATOM 0 H ARG A 81 3.877 16.014 7.768 1.00 40.30 H new ATOM 0 HA ARG A 81 4.415 13.194 8.175 1.00 14.02 H new ATOM 0 HB2 ARG A 81 6.750 13.981 8.287 1.00 2.14 H new ATOM 0 HB3 ARG A 81 5.942 14.572 6.849 1.00 2.14 H new ATOM 0 HG2 ARG A 81 5.561 16.768 8.008 1.00 62.54 H new ATOM 0 HG3 ARG A 81 6.460 16.168 9.387 1.00 62.54 H new ATOM 0 HD2 ARG A 81 8.430 15.768 7.869 1.00 40.32 H new ATOM 0 HD3 ARG A 81 7.525 16.498 6.558 1.00 40.32 H new ATOM 0 HE ARG A 81 7.617 18.264 8.859 1.00 73.43 H new ATOM 0 HH11 ARG A 81 9.439 17.103 6.066 1.00 42.22 H new ATOM 0 HH12 ARG A 81 10.486 18.525 6.010 1.00 42.22 H new ATOM 0 HH21 ARG A 81 8.993 20.075 8.801 1.00 50.05 H new ATOM 0 HH22 ARG A 81 10.236 20.202 7.551 1.00 50.05 H new ATOM 1277 N GLY A 82 5.163 13.114 10.595 1.00 54.24 N ATOM 1278 CA GLY A 82 5.265 12.994 12.032 1.00 45.33 C ATOM 1279 C GLY A 82 4.002 12.428 12.638 1.00 61.35 C ATOM 1280 O GLY A 82 3.735 12.611 13.829 1.00 34.22 O ATOM 0 H GLY A 82 5.493 12.301 10.075 1.00 54.24 H new ATOM 0 HA2 GLY A 82 6.109 12.352 12.284 1.00 45.33 H new ATOM 0 HA3 GLY A 82 5.469 13.973 12.465 1.00 45.33 H new ATOM 1284 N GLN A 83 3.225 11.731 11.832 1.00 64.10 N ATOM 1285 CA GLN A 83 1.960 11.192 12.288 1.00 51.24 C ATOM 1286 C GLN A 83 1.896 9.678 12.130 1.00 13.33 C ATOM 1287 O GLN A 83 1.291 8.988 12.948 1.00 21.35 O ATOM 1288 CB GLN A 83 0.807 11.850 11.533 1.00 14.20 C ATOM 1289 CG GLN A 83 0.722 13.353 11.750 1.00 42.25 C ATOM 1290 CD GLN A 83 -0.454 13.989 11.039 1.00 43.11 C ATOM 1291 OE1 GLN A 83 -1.010 14.984 11.512 1.00 60.24 O ATOM 1292 NE2 GLN A 83 -0.828 13.440 9.900 1.00 11.33 N ATOM 0 H GLN A 83 3.448 11.525 10.858 1.00 64.10 H new ATOM 0 HA GLN A 83 1.871 11.414 13.351 1.00 51.24 H new ATOM 0 HB2 GLN A 83 0.919 11.650 10.467 1.00 14.20 H new ATOM 0 HB3 GLN A 83 -0.131 11.392 11.846 1.00 14.20 H new ATOM 0 HG2 GLN A 83 0.647 13.556 12.818 1.00 42.25 H new ATOM 0 HG3 GLN A 83 1.644 13.817 11.401 1.00 42.25 H new ATOM 0 HE21 GLN A 83 -0.340 12.617 9.546 1.00 11.33 H new ATOM 0 HE22 GLN A 83 -1.605 13.838 9.373 1.00 11.33 H new ATOM 1301 N MET A 84 2.520 9.163 11.090 1.00 11.14 N ATOM 1302 CA MET A 84 2.498 7.732 10.833 1.00 54.24 C ATOM 1303 C MET A 84 3.889 7.132 10.972 1.00 62.51 C ATOM 1304 O MET A 84 4.812 7.785 11.475 1.00 61.21 O ATOM 1305 CB MET A 84 1.933 7.446 9.437 1.00 41.22 C ATOM 1306 CG MET A 84 0.520 7.965 9.230 1.00 3.13 C ATOM 1307 SD MET A 84 -0.159 7.533 7.616 1.00 22.31 S ATOM 1308 CE MET A 84 -1.727 8.396 7.678 1.00 13.11 C ATOM 0 H MET A 84 3.048 9.709 10.409 1.00 11.14 H new ATOM 0 HA MET A 84 1.850 7.266 11.575 1.00 54.24 H new ATOM 0 HB2 MET A 84 2.588 7.895 8.691 1.00 41.22 H new ATOM 0 HB3 MET A 84 1.944 6.370 9.264 1.00 41.22 H new ATOM 0 HG2 MET A 84 -0.127 7.563 10.010 1.00 3.13 H new ATOM 0 HG3 MET A 84 0.517 9.049 9.341 1.00 3.13 H new ATOM 0 HE1 MET A 84 -2.020 8.691 6.670 1.00 13.11 H new ATOM 0 HE2 MET A 84 -2.488 7.739 8.099 1.00 13.11 H new ATOM 0 HE3 MET A 84 -1.629 9.284 8.302 1.00 13.11 H new ATOM 1318 N GLN A 85 4.029 5.879 10.547 1.00 43.33 N ATOM 1319 CA GLN A 85 5.306 5.174 10.589 1.00 35.11 C ATOM 1320 C GLN A 85 6.369 5.949 9.817 1.00 45.43 C ATOM 1321 O GLN A 85 6.109 6.430 8.711 1.00 62.21 O ATOM 1322 CB GLN A 85 5.153 3.775 9.984 1.00 32.20 C ATOM 1323 CG GLN A 85 4.145 2.890 10.699 1.00 24.11 C ATOM 1324 CD GLN A 85 4.651 2.366 12.028 1.00 32.51 C ATOM 1325 OE1 GLN A 85 5.850 2.143 12.205 1.00 34.14 O ATOM 1326 NE2 GLN A 85 3.748 2.157 12.962 1.00 23.23 N ATOM 0 H GLN A 85 3.262 5.325 10.165 1.00 43.33 H new ATOM 0 HA GLN A 85 5.617 5.087 11.630 1.00 35.11 H new ATOM 0 HB2 GLN A 85 4.855 3.874 8.940 1.00 32.20 H new ATOM 0 HB3 GLN A 85 6.124 3.280 9.993 1.00 32.20 H new ATOM 0 HG2 GLN A 85 3.227 3.455 10.864 1.00 24.11 H new ATOM 0 HG3 GLN A 85 3.890 2.047 10.056 1.00 24.11 H new ATOM 0 HE21 GLN A 85 2.765 2.355 12.774 1.00 23.23 H new ATOM 0 HE22 GLN A 85 4.031 1.797 13.874 1.00 23.23 H new ATOM 1335 N LYS A 86 7.555 6.060 10.398 1.00 2.42 N ATOM 1336 CA LYS A 86 8.667 6.773 9.769 1.00 51.35 C ATOM 1337 C LYS A 86 8.939 6.242 8.345 1.00 74.14 C ATOM 1338 O LYS A 86 8.948 7.019 7.400 1.00 2.00 O ATOM 1339 CB LYS A 86 9.934 6.702 10.660 1.00 72.01 C ATOM 1340 CG LYS A 86 11.085 7.626 10.235 1.00 2.24 C ATOM 1341 CD LYS A 86 11.873 7.071 9.053 1.00 42.00 C ATOM 1342 CE LYS A 86 13.031 7.985 8.673 1.00 43.34 C ATOM 1343 NZ LYS A 86 12.569 9.330 8.251 1.00 21.05 N ATOM 0 H LYS A 86 7.777 5.663 11.311 1.00 2.42 H new ATOM 0 HA LYS A 86 8.388 7.822 9.671 1.00 51.35 H new ATOM 0 HB2 LYS A 86 9.652 6.946 11.684 1.00 72.01 H new ATOM 0 HB3 LYS A 86 10.297 5.674 10.666 1.00 72.01 H new ATOM 0 HG2 LYS A 86 10.683 8.605 9.972 1.00 2.24 H new ATOM 0 HG3 LYS A 86 11.758 7.774 11.079 1.00 2.24 H new ATOM 0 HD2 LYS A 86 12.256 6.082 9.303 1.00 42.00 H new ATOM 0 HD3 LYS A 86 11.209 6.949 8.197 1.00 42.00 H new ATOM 0 HE2 LYS A 86 13.706 8.085 9.523 1.00 43.34 H new ATOM 0 HE3 LYS A 86 13.601 7.528 7.864 1.00 43.34 H new ATOM 0 HZ1 LYS A 86 13.308 9.787 7.679 1.00 21.05 H new ATOM 0 HZ2 LYS A 86 11.701 9.237 7.685 1.00 21.05 H new ATOM 0 HZ3 LYS A 86 12.374 9.910 9.092 1.00 21.05 H new ATOM 1357 N PRO A 87 9.151 4.901 8.161 1.00 10.43 N ATOM 1358 CA PRO A 87 9.393 4.323 6.827 1.00 35.14 C ATOM 1359 C PRO A 87 8.237 4.596 5.854 1.00 14.45 C ATOM 1360 O PRO A 87 8.439 4.661 4.642 1.00 25.11 O ATOM 1361 CB PRO A 87 9.520 2.812 7.096 1.00 53.22 C ATOM 1362 CG PRO A 87 8.920 2.608 8.445 1.00 71.14 C ATOM 1363 CD PRO A 87 9.198 3.863 9.210 1.00 41.13 C ATOM 0 HA PRO A 87 10.275 4.757 6.356 1.00 35.14 H new ATOM 0 HB2 PRO A 87 8.994 2.231 6.338 1.00 53.22 H new ATOM 0 HB3 PRO A 87 10.562 2.494 7.076 1.00 53.22 H new ATOM 0 HG2 PRO A 87 7.848 2.424 8.372 1.00 71.14 H new ATOM 0 HG3 PRO A 87 9.359 1.742 8.941 1.00 71.14 H new ATOM 0 HD2 PRO A 87 8.453 4.038 9.986 1.00 41.13 H new ATOM 0 HD3 PRO A 87 10.169 3.830 9.703 1.00 41.13 H new ATOM 1371 N PHE A 88 7.036 4.772 6.396 1.00 72.54 N ATOM 1372 CA PHE A 88 5.859 5.033 5.578 1.00 52.44 C ATOM 1373 C PHE A 88 5.897 6.460 5.045 1.00 2.23 C ATOM 1374 O PHE A 88 5.717 6.693 3.846 1.00 71.42 O ATOM 1375 CB PHE A 88 4.578 4.809 6.396 1.00 1.53 C ATOM 1376 CG PHE A 88 3.312 4.867 5.583 1.00 4.14 C ATOM 1377 CD1 PHE A 88 2.795 3.722 5.000 1.00 3.44 C ATOM 1378 CD2 PHE A 88 2.637 6.067 5.403 1.00 22.11 C ATOM 1379 CE1 PHE A 88 1.634 3.768 4.253 1.00 54.53 C ATOM 1380 CE2 PHE A 88 1.476 6.119 4.658 1.00 4.22 C ATOM 1381 CZ PHE A 88 0.974 4.970 4.082 1.00 33.45 C ATOM 0 H PHE A 88 6.853 4.738 7.399 1.00 72.54 H new ATOM 0 HA PHE A 88 5.860 4.341 4.736 1.00 52.44 H new ATOM 0 HB2 PHE A 88 4.638 3.837 6.886 1.00 1.53 H new ATOM 0 HB3 PHE A 88 4.526 5.561 7.183 1.00 1.53 H new ATOM 0 HD1 PHE A 88 3.307 2.780 5.131 1.00 3.44 H new ATOM 0 HD2 PHE A 88 3.025 6.970 5.851 1.00 22.11 H new ATOM 0 HE1 PHE A 88 1.243 2.867 3.804 1.00 54.53 H new ATOM 0 HE2 PHE A 88 0.961 7.059 4.526 1.00 4.22 H new ATOM 0 HZ PHE A 88 0.066 5.010 3.498 1.00 33.45 H new ATOM 1391 N GLU A 89 6.145 7.408 5.937 1.00 65.23 N ATOM 1392 CA GLU A 89 6.209 8.814 5.563 1.00 64.54 C ATOM 1393 C GLU A 89 7.443 9.089 4.718 1.00 30.13 C ATOM 1394 O GLU A 89 7.398 9.864 3.764 1.00 61.43 O ATOM 1395 CB GLU A 89 6.212 9.700 6.803 1.00 31.15 C ATOM 1396 CG GLU A 89 4.994 9.515 7.689 1.00 20.22 C ATOM 1397 CD GLU A 89 4.993 10.448 8.876 1.00 42.41 C ATOM 1398 OE1 GLU A 89 6.081 10.917 9.275 1.00 63.20 O ATOM 1399 OE2 GLU A 89 3.911 10.724 9.420 1.00 62.25 O ATOM 0 H GLU A 89 6.306 7.229 6.928 1.00 65.23 H new ATOM 0 HA GLU A 89 5.324 9.048 4.971 1.00 64.54 H new ATOM 0 HB2 GLU A 89 7.109 9.491 7.386 1.00 31.15 H new ATOM 0 HB3 GLU A 89 6.269 10.743 6.493 1.00 31.15 H new ATOM 0 HG2 GLU A 89 4.092 9.681 7.100 1.00 20.22 H new ATOM 0 HG3 GLU A 89 4.959 8.484 8.042 1.00 20.22 H new ATOM 1406 N ASP A 90 8.543 8.439 5.066 1.00 53.53 N ATOM 1407 CA ASP A 90 9.793 8.593 4.328 1.00 73.42 C ATOM 1408 C ASP A 90 9.611 8.199 2.872 1.00 72.51 C ATOM 1409 O ASP A 90 10.195 8.807 1.975 1.00 75.21 O ATOM 1410 CB ASP A 90 10.902 7.748 4.963 1.00 63.51 C ATOM 1411 CG ASP A 90 12.214 7.862 4.214 1.00 71.22 C ATOM 1412 OD1 ASP A 90 12.912 8.887 4.379 1.00 73.14 O ATOM 1413 OD2 ASP A 90 12.555 6.930 3.456 1.00 34.11 O ATOM 0 H ASP A 90 8.598 7.797 5.857 1.00 53.53 H new ATOM 0 HA ASP A 90 10.082 9.643 4.372 1.00 73.42 H new ATOM 0 HB2 ASP A 90 11.048 8.062 5.996 1.00 63.51 H new ATOM 0 HB3 ASP A 90 10.590 6.704 4.988 1.00 63.51 H new ATOM 1418 N ALA A 91 8.786 7.189 2.643 1.00 62.52 N ATOM 1419 CA ALA A 91 8.516 6.716 1.300 1.00 11.04 C ATOM 1420 C ALA A 91 7.501 7.610 0.594 1.00 22.35 C ATOM 1421 O ALA A 91 7.737 8.057 -0.522 1.00 53.10 O ATOM 1422 CB ALA A 91 8.029 5.276 1.333 1.00 71.40 C ATOM 0 H ALA A 91 8.291 6.681 3.376 1.00 62.52 H new ATOM 0 HA ALA A 91 9.447 6.756 0.734 1.00 11.04 H new ATOM 0 HB1 ALA A 91 7.831 4.936 0.317 1.00 71.40 H new ATOM 0 HB2 ALA A 91 8.793 4.644 1.785 1.00 71.40 H new ATOM 0 HB3 ALA A 91 7.113 5.215 1.921 1.00 71.40 H new ATOM 1428 N SER A 92 6.386 7.883 1.262 1.00 3.41 N ATOM 1429 CA SER A 92 5.308 8.687 0.680 1.00 54.11 C ATOM 1430 C SER A 92 5.780 10.096 0.299 1.00 24.52 C ATOM 1431 O SER A 92 5.503 10.577 -0.805 1.00 71.04 O ATOM 1432 CB SER A 92 4.123 8.752 1.645 1.00 63.10 C ATOM 1433 OG SER A 92 4.555 9.063 2.954 1.00 12.50 O ATOM 0 H SER A 92 6.201 7.560 2.211 1.00 3.41 H new ATOM 0 HA SER A 92 4.990 8.200 -0.242 1.00 54.11 H new ATOM 0 HB2 SER A 92 3.412 9.505 1.304 1.00 63.10 H new ATOM 0 HB3 SER A 92 3.599 7.796 1.648 1.00 63.10 H new ATOM 0 HG SER A 92 4.850 8.244 3.404 1.00 12.50 H new ATOM 1439 N PHE A 93 6.514 10.744 1.199 1.00 63.32 N ATOM 1440 CA PHE A 93 7.021 12.090 0.944 1.00 2.24 C ATOM 1441 C PHE A 93 8.155 12.085 -0.082 1.00 24.33 C ATOM 1442 O PHE A 93 8.570 13.139 -0.564 1.00 2.42 O ATOM 1443 CB PHE A 93 7.480 12.762 2.248 1.00 43.14 C ATOM 1444 CG PHE A 93 6.347 13.230 3.128 1.00 53.22 C ATOM 1445 CD1 PHE A 93 5.739 12.365 4.026 1.00 52.15 C ATOM 1446 CD2 PHE A 93 5.893 14.535 3.053 1.00 1.13 C ATOM 1447 CE1 PHE A 93 4.703 12.795 4.830 1.00 3.14 C ATOM 1448 CE2 PHE A 93 4.855 14.971 3.856 1.00 33.55 C ATOM 1449 CZ PHE A 93 4.260 14.101 4.744 1.00 74.12 C ATOM 0 H PHE A 93 6.771 10.361 2.109 1.00 63.32 H new ATOM 0 HA PHE A 93 6.198 12.669 0.526 1.00 2.24 H new ATOM 0 HB2 PHE A 93 8.096 12.060 2.809 1.00 43.14 H new ATOM 0 HB3 PHE A 93 8.112 13.615 2.002 1.00 43.14 H new ATOM 0 HD1 PHE A 93 6.080 11.343 4.097 1.00 52.15 H new ATOM 0 HD2 PHE A 93 6.355 15.221 2.359 1.00 1.13 H new ATOM 0 HE1 PHE A 93 4.239 12.111 5.526 1.00 3.14 H new ATOM 0 HE2 PHE A 93 4.511 15.992 3.787 1.00 33.55 H new ATOM 0 HZ PHE A 93 3.449 14.439 5.372 1.00 74.12 H new ATOM 1459 N ALA A 94 8.654 10.902 -0.415 1.00 11.43 N ATOM 1460 CA ALA A 94 9.722 10.771 -1.399 1.00 73.13 C ATOM 1461 C ALA A 94 9.156 10.419 -2.766 1.00 70.30 C ATOM 1462 O ALA A 94 9.879 10.399 -3.768 1.00 50.24 O ATOM 1463 CB ALA A 94 10.732 9.725 -0.962 1.00 1.12 C ATOM 0 H ALA A 94 8.336 10.018 -0.018 1.00 11.43 H new ATOM 0 HA ALA A 94 10.231 11.732 -1.473 1.00 73.13 H new ATOM 0 HB1 ALA A 94 11.520 9.644 -1.711 1.00 1.12 H new ATOM 0 HB2 ALA A 94 11.168 10.017 -0.007 1.00 1.12 H new ATOM 0 HB3 ALA A 94 10.234 8.761 -0.854 1.00 1.12 H new ATOM 1469 N LEU A 95 7.868 10.140 -2.806 1.00 30.24 N ATOM 1470 CA LEU A 95 7.204 9.806 -4.048 1.00 44.54 C ATOM 1471 C LEU A 95 6.753 11.067 -4.753 1.00 31.23 C ATOM 1472 O LEU A 95 6.606 12.116 -4.131 1.00 33.35 O ATOM 1473 CB LEU A 95 5.993 8.900 -3.796 1.00 25.43 C ATOM 1474 CG LEU A 95 6.287 7.538 -3.166 1.00 1.24 C ATOM 1475 CD1 LEU A 95 4.996 6.771 -2.950 1.00 73.23 C ATOM 1476 CD2 LEU A 95 7.242 6.733 -4.035 1.00 72.11 C ATOM 0 H LEU A 95 7.259 10.138 -1.988 1.00 30.24 H new ATOM 0 HA LEU A 95 7.915 9.271 -4.677 1.00 44.54 H new ATOM 0 HB2 LEU A 95 5.295 9.433 -3.150 1.00 25.43 H new ATOM 0 HB3 LEU A 95 5.485 8.735 -4.746 1.00 25.43 H new ATOM 0 HG LEU A 95 6.764 7.703 -2.200 1.00 1.24 H new ATOM 0 HD11 LEU A 95 5.219 5.803 -2.501 1.00 73.23 H new ATOM 0 HD12 LEU A 95 4.343 7.337 -2.286 1.00 73.23 H new ATOM 0 HD13 LEU A 95 4.498 6.621 -3.908 1.00 73.23 H new ATOM 0 HD21 LEU A 95 7.436 5.768 -3.566 1.00 72.11 H new ATOM 0 HD22 LEU A 95 6.796 6.576 -5.017 1.00 72.11 H new ATOM 0 HD23 LEU A 95 8.180 7.277 -4.146 1.00 72.11 H new ATOM 1488 N ARG A 96 6.547 10.962 -6.045 1.00 63.44 N ATOM 1489 CA ARG A 96 6.075 12.075 -6.845 1.00 33.21 C ATOM 1490 C ARG A 96 4.600 11.892 -7.173 1.00 64.35 C ATOM 1491 O ARG A 96 4.029 10.835 -6.903 1.00 73.52 O ATOM 1492 CB ARG A 96 6.888 12.178 -8.133 1.00 73.10 C ATOM 1493 CG ARG A 96 8.337 12.576 -7.922 1.00 40.32 C ATOM 1494 CD ARG A 96 8.448 13.987 -7.379 1.00 23.43 C ATOM 1495 NE ARG A 96 9.834 14.429 -7.275 1.00 22.43 N ATOM 1496 CZ ARG A 96 10.240 15.682 -7.471 1.00 14.41 C ATOM 1497 NH1 ARG A 96 9.360 16.631 -7.777 1.00 4.34 N ATOM 1498 NH2 ARG A 96 11.523 15.983 -7.358 1.00 51.41 N ATOM 0 H ARG A 96 6.701 10.104 -6.574 1.00 63.44 H new ATOM 0 HA ARG A 96 6.200 12.996 -6.276 1.00 33.21 H new ATOM 0 HB2 ARG A 96 6.858 11.217 -8.647 1.00 73.10 H new ATOM 0 HB3 ARG A 96 6.415 12.906 -8.791 1.00 73.10 H new ATOM 0 HG2 ARG A 96 8.810 11.880 -7.230 1.00 40.32 H new ATOM 0 HG3 ARG A 96 8.877 12.504 -8.866 1.00 40.32 H new ATOM 0 HD2 ARG A 96 7.899 14.669 -8.028 1.00 23.43 H new ATOM 0 HD3 ARG A 96 7.978 14.035 -6.396 1.00 23.43 H new ATOM 0 HE ARG A 96 10.539 13.732 -7.036 1.00 22.43 H new ATOM 0 HH11 ARG A 96 8.370 16.400 -7.862 1.00 4.34 H new ATOM 0 HH12 ARG A 96 9.675 17.590 -7.926 1.00 4.34 H new ATOM 0 HH21 ARG A 96 12.198 15.256 -7.121 1.00 51.41 H new ATOM 0 HH22 ARG A 96 11.837 16.942 -7.508 1.00 51.41 H new ATOM 1512 N THR A 97 3.989 12.914 -7.745 1.00 53.31 N ATOM 1513 CA THR A 97 2.586 12.853 -8.117 1.00 54.43 C ATOM 1514 C THR A 97 2.371 11.812 -9.221 1.00 54.42 C ATOM 1515 O THR A 97 2.741 12.029 -10.375 1.00 1.44 O ATOM 1516 CB THR A 97 2.090 14.232 -8.598 1.00 74.34 C ATOM 1517 OG1 THR A 97 2.399 15.225 -7.607 1.00 41.32 O ATOM 1518 CG2 THR A 97 0.587 14.214 -8.845 1.00 61.11 C ATOM 0 H THR A 97 4.444 13.800 -7.963 1.00 53.31 H new ATOM 0 HA THR A 97 2.014 12.562 -7.236 1.00 54.43 H new ATOM 0 HB THR A 97 2.592 14.472 -9.535 1.00 74.34 H new ATOM 0 HG1 THR A 97 1.914 15.023 -6.780 1.00 41.32 H new ATOM 0 HG21 THR A 97 0.262 15.198 -9.183 1.00 61.11 H new ATOM 0 HG22 THR A 97 0.353 13.472 -9.608 1.00 61.11 H new ATOM 0 HG23 THR A 97 0.069 13.959 -7.920 1.00 61.11 H new ATOM 1526 N GLY A 98 1.794 10.679 -8.850 1.00 34.30 N ATOM 1527 CA GLY A 98 1.565 9.615 -9.802 1.00 74.14 C ATOM 1528 C GLY A 98 2.589 8.505 -9.667 1.00 25.35 C ATOM 1529 O GLY A 98 2.540 7.509 -10.394 1.00 25.45 O ATOM 0 H GLY A 98 1.479 10.478 -7.901 1.00 34.30 H new ATOM 0 HA2 GLY A 98 0.565 9.206 -9.656 1.00 74.14 H new ATOM 0 HA3 GLY A 98 1.599 10.019 -10.814 1.00 74.14 H new ATOM 1533 N GLU A 99 3.522 8.679 -8.744 1.00 74.30 N ATOM 1534 CA GLU A 99 4.564 7.692 -8.508 1.00 74.40 C ATOM 1535 C GLU A 99 4.123 6.712 -7.428 1.00 23.21 C ATOM 1536 O GLU A 99 3.343 7.067 -6.532 1.00 64.34 O ATOM 1537 CB GLU A 99 5.871 8.383 -8.097 1.00 3.21 C ATOM 1538 CG GLU A 99 7.043 7.437 -7.862 1.00 3.53 C ATOM 1539 CD GLU A 99 7.439 6.666 -9.105 1.00 32.44 C ATOM 1540 OE1 GLU A 99 6.852 5.592 -9.360 1.00 54.41 O ATOM 1541 OE2 GLU A 99 8.344 7.131 -9.835 1.00 3.42 O ATOM 0 H GLU A 99 3.579 9.501 -8.142 1.00 74.30 H new ATOM 0 HA GLU A 99 4.739 7.141 -9.432 1.00 74.40 H new ATOM 0 HB2 GLU A 99 6.148 9.098 -8.872 1.00 3.21 H new ATOM 0 HB3 GLU A 99 5.694 8.954 -7.186 1.00 3.21 H new ATOM 0 HG2 GLU A 99 7.900 8.010 -7.508 1.00 3.53 H new ATOM 0 HG3 GLU A 99 6.782 6.733 -7.072 1.00 3.53 H new ATOM 1548 N MET A 100 4.623 5.497 -7.509 1.00 63.32 N ATOM 1549 CA MET A 100 4.258 4.458 -6.575 1.00 63.24 C ATOM 1550 C MET A 100 5.505 3.761 -6.041 1.00 71.21 C ATOM 1551 O MET A 100 6.487 3.575 -6.771 1.00 42.03 O ATOM 1552 CB MET A 100 3.330 3.454 -7.263 1.00 65.02 C ATOM 1553 CG MET A 100 2.797 2.364 -6.353 1.00 40.52 C ATOM 1554 SD MET A 100 1.545 1.345 -7.158 1.00 15.41 S ATOM 1555 CE MET A 100 2.457 0.747 -8.576 1.00 71.01 C ATOM 0 H MET A 100 5.291 5.204 -8.222 1.00 63.32 H new ATOM 0 HA MET A 100 3.733 4.903 -5.730 1.00 63.24 H new ATOM 0 HB2 MET A 100 2.487 3.994 -7.694 1.00 65.02 H new ATOM 0 HB3 MET A 100 3.867 2.989 -8.090 1.00 65.02 H new ATOM 0 HG2 MET A 100 3.622 1.731 -6.028 1.00 40.52 H new ATOM 0 HG3 MET A 100 2.371 2.818 -5.458 1.00 40.52 H new ATOM 0 HE1 MET A 100 1.875 -0.020 -9.086 1.00 71.01 H new ATOM 0 HE2 MET A 100 2.647 1.573 -9.261 1.00 71.01 H new ATOM 0 HE3 MET A 100 3.406 0.323 -8.246 1.00 71.01 H new ATOM 1565 N SER A 101 5.472 3.393 -4.776 1.00 31.53 N ATOM 1566 CA SER A 101 6.589 2.724 -4.140 1.00 51.13 C ATOM 1567 C SER A 101 6.560 1.226 -4.440 1.00 0.22 C ATOM 1568 O SER A 101 5.778 0.763 -5.279 1.00 55.43 O ATOM 1569 CB SER A 101 6.537 2.958 -2.628 1.00 42.04 C ATOM 1570 OG SER A 101 5.343 2.424 -2.069 1.00 63.54 O ATOM 0 H SER A 101 4.673 3.549 -4.162 1.00 31.53 H new ATOM 0 HA SER A 101 7.517 3.136 -4.537 1.00 51.13 H new ATOM 0 HB2 SER A 101 7.403 2.495 -2.155 1.00 42.04 H new ATOM 0 HB3 SER A 101 6.594 4.026 -2.420 1.00 42.04 H new ATOM 0 HG SER A 101 5.404 2.440 -1.091 1.00 63.54 H new ATOM 1576 N GLY A 102 7.417 0.486 -3.770 1.00 54.42 N ATOM 1577 CA GLY A 102 7.438 -0.944 -3.918 1.00 13.44 C ATOM 1578 C GLY A 102 6.889 -1.623 -2.684 1.00 10.11 C ATOM 1579 O GLY A 102 6.002 -1.076 -2.023 1.00 35.12 O ATOM 0 H GLY A 102 8.108 0.857 -3.117 1.00 54.42 H new ATOM 0 HA2 GLY A 102 6.849 -1.232 -4.789 1.00 13.44 H new ATOM 0 HA3 GLY A 102 8.459 -1.280 -4.099 1.00 13.44 H new ATOM 1583 N PRO A 103 7.397 -2.813 -2.337 1.00 70.32 N ATOM 1584 CA PRO A 103 6.961 -3.538 -1.151 1.00 54.52 C ATOM 1585 C PRO A 103 7.472 -2.875 0.129 1.00 73.01 C ATOM 1586 O PRO A 103 8.625 -3.070 0.526 1.00 42.13 O ATOM 1587 CB PRO A 103 7.590 -4.939 -1.314 1.00 14.54 C ATOM 1588 CG PRO A 103 8.149 -4.969 -2.702 1.00 10.24 C ATOM 1589 CD PRO A 103 8.430 -3.545 -3.072 1.00 41.24 C ATOM 0 HA PRO A 103 5.875 -3.563 -1.065 1.00 54.52 H new ATOM 0 HB2 PRO A 103 8.371 -5.107 -0.573 1.00 14.54 H new ATOM 0 HB3 PRO A 103 6.845 -5.722 -1.174 1.00 14.54 H new ATOM 0 HG2 PRO A 103 9.059 -5.568 -2.742 1.00 10.24 H new ATOM 0 HG3 PRO A 103 7.440 -5.419 -3.397 1.00 10.24 H new ATOM 0 HD2 PRO A 103 9.433 -3.239 -2.774 1.00 41.24 H new ATOM 0 HD3 PRO A 103 8.354 -3.383 -4.147 1.00 41.24 H new ATOM 1597 N VAL A 104 6.623 -2.076 0.752 1.00 2.30 N ATOM 1598 CA VAL A 104 6.985 -1.373 1.969 1.00 42.23 C ATOM 1599 C VAL A 104 6.430 -2.093 3.193 1.00 64.22 C ATOM 1600 O VAL A 104 5.221 -2.328 3.299 1.00 73.35 O ATOM 1601 CB VAL A 104 6.467 0.089 1.954 1.00 34.21 C ATOM 1602 CG1 VAL A 104 6.926 0.839 3.197 1.00 65.25 C ATOM 1603 CG2 VAL A 104 6.926 0.810 0.696 1.00 53.20 C ATOM 0 H VAL A 104 5.671 -1.898 0.431 1.00 2.30 H new ATOM 0 HA VAL A 104 8.074 -1.357 2.021 1.00 42.23 H new ATOM 0 HB VAL A 104 5.377 0.061 1.955 1.00 34.21 H new ATOM 0 HG11 VAL A 104 6.551 1.862 3.164 1.00 65.25 H new ATOM 0 HG12 VAL A 104 6.541 0.340 4.086 1.00 65.25 H new ATOM 0 HG13 VAL A 104 8.015 0.853 3.232 1.00 65.25 H new ATOM 0 HG21 VAL A 104 6.552 1.834 0.706 1.00 53.20 H new ATOM 0 HG22 VAL A 104 8.015 0.822 0.661 1.00 53.20 H new ATOM 0 HG23 VAL A 104 6.541 0.291 -0.182 1.00 53.20 H new ATOM 1613 N PHE A 105 7.308 -2.455 4.105 1.00 24.20 N ATOM 1614 CA PHE A 105 6.902 -3.141 5.318 1.00 62.44 C ATOM 1615 C PHE A 105 6.854 -2.179 6.493 1.00 51.41 C ATOM 1616 O PHE A 105 7.885 -1.663 6.929 1.00 13.10 O ATOM 1617 CB PHE A 105 7.852 -4.302 5.635 1.00 52.42 C ATOM 1618 CG PHE A 105 7.739 -5.471 4.698 1.00 55.01 C ATOM 1619 CD1 PHE A 105 8.255 -5.403 3.415 1.00 75.34 C ATOM 1620 CD2 PHE A 105 7.125 -6.643 5.108 1.00 1.42 C ATOM 1621 CE1 PHE A 105 8.162 -6.480 2.557 1.00 44.34 C ATOM 1622 CE2 PHE A 105 7.027 -7.723 4.254 1.00 54.41 C ATOM 1623 CZ PHE A 105 7.547 -7.641 2.977 1.00 44.23 C ATOM 0 H PHE A 105 8.311 -2.286 4.031 1.00 24.20 H new ATOM 0 HA PHE A 105 5.902 -3.543 5.152 1.00 62.44 H new ATOM 0 HB2 PHE A 105 8.877 -3.933 5.613 1.00 52.42 H new ATOM 0 HB3 PHE A 105 7.659 -4.646 6.651 1.00 52.42 H new ATOM 0 HD1 PHE A 105 8.736 -4.496 3.081 1.00 75.34 H new ATOM 0 HD2 PHE A 105 6.719 -6.713 6.106 1.00 1.42 H new ATOM 0 HE1 PHE A 105 8.570 -6.414 1.559 1.00 44.34 H new ATOM 0 HE2 PHE A 105 6.544 -8.631 4.584 1.00 54.41 H new ATOM 0 HZ PHE A 105 7.472 -8.485 2.308 1.00 44.23 H new ATOM 1633 N THR A 106 5.660 -1.923 6.978 1.00 3.11 N ATOM 1634 CA THR A 106 5.465 -1.067 8.138 1.00 43.24 C ATOM 1635 C THR A 106 4.669 -1.810 9.196 1.00 1.45 C ATOM 1636 O THR A 106 4.603 -1.403 10.355 1.00 42.51 O ATOM 1637 CB THR A 106 4.711 0.221 7.758 1.00 45.31 C ATOM 1638 OG1 THR A 106 3.474 -0.116 7.113 1.00 74.44 O ATOM 1639 CG2 THR A 106 5.549 1.081 6.825 1.00 12.01 C ATOM 0 H THR A 106 4.797 -2.298 6.585 1.00 3.11 H new ATOM 0 HA THR A 106 6.447 -0.797 8.526 1.00 43.24 H new ATOM 0 HB THR A 106 4.511 0.785 8.669 1.00 45.31 H new ATOM 0 HG1 THR A 106 2.843 -0.464 7.777 1.00 74.44 H new ATOM 0 HG21 THR A 106 4.997 1.985 6.570 1.00 12.01 H new ATOM 0 HG22 THR A 106 6.481 1.353 7.320 1.00 12.01 H new ATOM 0 HG23 THR A 106 5.770 0.522 5.916 1.00 12.01 H new ATOM 1647 N ASP A 107 4.073 -2.907 8.776 1.00 22.32 N ATOM 1648 CA ASP A 107 3.245 -3.731 9.631 1.00 71.12 C ATOM 1649 C ASP A 107 3.611 -5.177 9.400 1.00 73.40 C ATOM 1650 O ASP A 107 4.716 -5.474 8.937 1.00 4.10 O ATOM 1651 CB ASP A 107 1.757 -3.521 9.297 1.00 22.00 C ATOM 1652 CG ASP A 107 1.264 -2.114 9.574 1.00 73.53 C ATOM 1653 OD1 ASP A 107 1.458 -1.226 8.711 1.00 54.44 O ATOM 1654 OD2 ASP A 107 0.662 -1.893 10.633 1.00 45.34 O ATOM 0 H ASP A 107 4.151 -3.255 7.820 1.00 22.32 H new ATOM 0 HA ASP A 107 3.410 -3.457 10.673 1.00 71.12 H new ATOM 0 HB2 ASP A 107 1.593 -3.753 8.245 1.00 22.00 H new ATOM 0 HB3 ASP A 107 1.161 -4.226 9.876 1.00 22.00 H new ATOM 1659 N SER A 108 2.706 -6.077 9.712 1.00 21.22 N ATOM 1660 CA SER A 108 2.940 -7.478 9.468 1.00 51.20 C ATOM 1661 C SER A 108 2.830 -7.764 7.977 1.00 21.41 C ATOM 1662 O SER A 108 3.599 -8.547 7.425 1.00 51.21 O ATOM 1663 CB SER A 108 1.936 -8.315 10.234 1.00 4.30 C ATOM 1664 OG SER A 108 1.887 -7.924 11.597 1.00 3.12 O ATOM 0 H SER A 108 1.803 -5.862 10.135 1.00 21.22 H new ATOM 0 HA SER A 108 3.943 -7.737 9.808 1.00 51.20 H new ATOM 0 HB2 SER A 108 0.949 -8.207 9.785 1.00 4.30 H new ATOM 0 HB3 SER A 108 2.205 -9.369 10.163 1.00 4.30 H new ATOM 0 HG SER A 108 0.953 -7.854 11.884 1.00 3.12 H new ATOM 1670 N GLY A 109 1.874 -7.111 7.331 1.00 63.14 N ATOM 1671 CA GLY A 109 1.674 -7.300 5.917 1.00 54.12 C ATOM 1672 C GLY A 109 2.453 -6.303 5.086 1.00 32.53 C ATOM 1673 O GLY A 109 3.055 -5.365 5.620 1.00 54.43 O ATOM 0 H GLY A 109 1.232 -6.450 7.769 1.00 63.14 H new ATOM 0 HA2 GLY A 109 1.974 -8.311 5.642 1.00 54.12 H new ATOM 0 HA3 GLY A 109 0.612 -7.209 5.688 1.00 54.12 H new ATOM 1677 N ILE A 110 2.426 -6.493 3.781 1.00 3.03 N ATOM 1678 CA ILE A 110 3.151 -5.632 2.866 1.00 22.14 C ATOM 1679 C ILE A 110 2.256 -4.488 2.406 1.00 14.02 C ATOM 1680 O ILE A 110 1.074 -4.695 2.121 1.00 61.14 O ATOM 1681 CB ILE A 110 3.636 -6.415 1.623 1.00 42.21 C ATOM 1682 CG1 ILE A 110 4.264 -7.750 2.040 1.00 72.32 C ATOM 1683 CG2 ILE A 110 4.634 -5.582 0.829 1.00 15.42 C ATOM 1684 CD1 ILE A 110 4.692 -8.619 0.875 1.00 30.33 C ATOM 0 H ILE A 110 1.905 -7.243 3.327 1.00 3.03 H new ATOM 0 HA ILE A 110 4.018 -5.241 3.398 1.00 22.14 H new ATOM 0 HB ILE A 110 2.775 -6.624 0.988 1.00 42.21 H new ATOM 0 HG12 ILE A 110 5.131 -7.551 2.670 1.00 72.32 H new ATOM 0 HG13 ILE A 110 3.548 -8.302 2.649 1.00 72.32 H new ATOM 0 HG21 ILE A 110 4.966 -6.146 -0.043 1.00 15.42 H new ATOM 0 HG22 ILE A 110 4.158 -4.657 0.503 1.00 15.42 H new ATOM 0 HG23 ILE A 110 5.493 -5.346 1.458 1.00 15.42 H new ATOM 0 HD11 ILE A 110 5.126 -9.545 1.252 1.00 30.33 H new ATOM 0 HD12 ILE A 110 3.825 -8.851 0.256 1.00 30.33 H new ATOM 0 HD13 ILE A 110 5.433 -8.088 0.278 1.00 30.33 H new ATOM 1696 N HIS A 111 2.810 -3.288 2.347 1.00 45.33 N ATOM 1697 CA HIS A 111 2.061 -2.125 1.908 1.00 30.01 C ATOM 1698 C HIS A 111 2.655 -1.541 0.642 1.00 1.24 C ATOM 1699 O HIS A 111 3.862 -1.615 0.418 1.00 51.20 O ATOM 1700 CB HIS A 111 2.046 -1.025 2.980 1.00 3.10 C ATOM 1701 CG HIS A 111 1.291 -1.351 4.230 1.00 4.10 C ATOM 1702 ND1 HIS A 111 -0.055 -1.103 4.390 1.00 5.44 N ATOM 1703 CD2 HIS A 111 1.720 -1.843 5.407 1.00 22.22 C ATOM 1704 CE1 HIS A 111 -0.414 -1.424 5.617 1.00 23.51 C ATOM 1705 NE2 HIS A 111 0.645 -1.876 6.258 1.00 61.03 N ATOM 0 H HIS A 111 3.779 -3.095 2.599 1.00 45.33 H new ATOM 0 HA HIS A 111 1.043 -2.465 1.721 1.00 30.01 H new ATOM 0 HB2 HIS A 111 3.076 -0.791 3.249 1.00 3.10 H new ATOM 0 HB3 HIS A 111 1.618 -0.123 2.543 1.00 3.10 H new ATOM 0 HD2 HIS A 111 2.728 -2.155 5.639 1.00 22.22 H new ATOM 0 HE1 HIS A 111 -1.409 -1.332 6.028 1.00 23.51 H new ATOM 0 HE2 HIS A 111 0.662 -2.197 7.226 1.00 61.03 H new ATOM 1714 N ILE A 112 1.801 -0.976 -0.180 1.00 71.43 N ATOM 1715 CA ILE A 112 2.225 -0.251 -1.364 1.00 75.02 C ATOM 1716 C ILE A 112 1.697 1.167 -1.246 1.00 54.34 C ATOM 1717 O ILE A 112 0.557 1.365 -0.824 1.00 25.54 O ATOM 1718 CB ILE A 112 1.691 -0.878 -2.672 1.00 3.03 C ATOM 1719 CG1 ILE A 112 2.022 -2.373 -2.741 1.00 5.11 C ATOM 1720 CG2 ILE A 112 2.274 -0.154 -3.881 1.00 62.24 C ATOM 1721 CD1 ILE A 112 1.551 -3.042 -4.021 1.00 32.12 C ATOM 0 H ILE A 112 0.790 -1.004 -0.050 1.00 71.43 H new ATOM 0 HA ILE A 112 3.313 -0.283 -1.416 1.00 75.02 H new ATOM 0 HB ILE A 112 0.607 -0.769 -2.682 1.00 3.03 H new ATOM 0 HG12 ILE A 112 3.100 -2.502 -2.649 1.00 5.11 H new ATOM 0 HG13 ILE A 112 1.567 -2.877 -1.889 1.00 5.11 H new ATOM 0 HG21 ILE A 112 1.890 -0.606 -4.796 1.00 62.24 H new ATOM 0 HG22 ILE A 112 1.989 0.897 -3.848 1.00 62.24 H new ATOM 0 HG23 ILE A 112 3.361 -0.236 -3.865 1.00 62.24 H new ATOM 0 HD11 ILE A 112 1.820 -4.098 -4.000 1.00 32.12 H new ATOM 0 HD12 ILE A 112 0.469 -2.944 -4.106 1.00 32.12 H new ATOM 0 HD13 ILE A 112 2.026 -2.564 -4.878 1.00 32.12 H new ATOM 1733 N ILE A 113 2.510 2.139 -1.589 1.00 30.42 N ATOM 1734 CA ILE A 113 2.121 3.526 -1.453 1.00 51.23 C ATOM 1735 C ILE A 113 2.072 4.220 -2.811 1.00 11.24 C ATOM 1736 O ILE A 113 3.009 4.123 -3.602 1.00 1.15 O ATOM 1737 CB ILE A 113 3.109 4.282 -0.537 1.00 34.03 C ATOM 1738 CG1 ILE A 113 3.263 3.556 0.804 1.00 12.33 C ATOM 1739 CG2 ILE A 113 2.644 5.718 -0.315 1.00 51.41 C ATOM 1740 CD1 ILE A 113 4.332 4.149 1.699 1.00 53.10 C ATOM 0 H ILE A 113 3.447 1.996 -1.965 1.00 30.42 H new ATOM 0 HA ILE A 113 1.126 3.542 -1.009 1.00 51.23 H new ATOM 0 HB ILE A 113 4.081 4.307 -1.030 1.00 34.03 H new ATOM 0 HG12 ILE A 113 2.309 3.577 1.330 1.00 12.33 H new ATOM 0 HG13 ILE A 113 3.500 2.509 0.615 1.00 12.33 H new ATOM 0 HG21 ILE A 113 3.353 6.234 0.333 1.00 51.41 H new ATOM 0 HG22 ILE A 113 2.586 6.234 -1.273 1.00 51.41 H new ATOM 0 HG23 ILE A 113 1.660 5.713 0.155 1.00 51.41 H new ATOM 0 HD11 ILE A 113 4.383 3.583 2.629 1.00 53.10 H new ATOM 0 HD12 ILE A 113 5.296 4.103 1.193 1.00 53.10 H new ATOM 0 HD13 ILE A 113 4.087 5.188 1.919 1.00 53.10 H new ATOM 1752 N LEU A 114 0.976 4.906 -3.073 1.00 4.32 N ATOM 1753 CA LEU A 114 0.816 5.662 -4.306 1.00 32.14 C ATOM 1754 C LEU A 114 0.497 7.110 -3.982 1.00 14.35 C ATOM 1755 O LEU A 114 -0.499 7.393 -3.319 1.00 74.30 O ATOM 1756 CB LEU A 114 -0.312 5.077 -5.164 1.00 32.45 C ATOM 1757 CG LEU A 114 -0.667 5.884 -6.423 1.00 42.14 C ATOM 1758 CD1 LEU A 114 0.436 5.787 -7.461 1.00 63.30 C ATOM 1759 CD2 LEU A 114 -1.992 5.427 -7.003 1.00 65.44 C ATOM 0 H LEU A 114 0.175 4.957 -2.444 1.00 4.32 H new ATOM 0 HA LEU A 114 1.749 5.603 -4.866 1.00 32.14 H new ATOM 0 HB2 LEU A 114 -0.030 4.069 -5.467 1.00 32.45 H new ATOM 0 HB3 LEU A 114 -1.206 4.986 -4.547 1.00 32.45 H new ATOM 0 HG LEU A 114 -0.766 6.930 -6.133 1.00 42.14 H new ATOM 0 HD11 LEU A 114 0.159 6.367 -8.341 1.00 63.30 H new ATOM 0 HD12 LEU A 114 1.363 6.180 -7.044 1.00 63.30 H new ATOM 0 HD13 LEU A 114 0.579 4.744 -7.744 1.00 63.30 H new ATOM 0 HD21 LEU A 114 -2.221 6.013 -7.893 1.00 65.44 H new ATOM 0 HD22 LEU A 114 -1.928 4.372 -7.270 1.00 65.44 H new ATOM 0 HD23 LEU A 114 -2.780 5.567 -6.264 1.00 65.44 H new ATOM 1771 N ARG A 115 1.335 8.023 -4.435 1.00 63.21 N ATOM 1772 CA ARG A 115 1.093 9.432 -4.193 1.00 54.22 C ATOM 1773 C ARG A 115 0.182 10.001 -5.269 1.00 73.42 C ATOM 1774 O ARG A 115 0.598 10.191 -6.416 1.00 63.52 O ATOM 1775 CB ARG A 115 2.402 10.225 -4.120 1.00 34.30 C ATOM 1776 CG ARG A 115 2.191 11.719 -3.902 1.00 15.30 C ATOM 1777 CD ARG A 115 3.507 12.464 -3.770 1.00 40.34 C ATOM 1778 NE ARG A 115 3.307 13.915 -3.748 1.00 12.24 N ATOM 1779 CZ ARG A 115 4.276 14.814 -3.548 1.00 13.31 C ATOM 1780 NH1 ARG A 115 5.529 14.421 -3.361 1.00 53.44 N ATOM 1781 NH2 ARG A 115 3.988 16.110 -3.551 1.00 71.32 N ATOM 0 H ARG A 115 2.181 7.818 -4.967 1.00 63.21 H new ATOM 0 HA ARG A 115 0.599 9.525 -3.226 1.00 54.22 H new ATOM 0 HB2 ARG A 115 3.014 9.829 -3.309 1.00 34.30 H new ATOM 0 HB3 ARG A 115 2.961 10.075 -5.043 1.00 34.30 H new ATOM 0 HG2 ARG A 115 1.623 12.131 -4.736 1.00 15.30 H new ATOM 0 HG3 ARG A 115 1.595 11.874 -3.003 1.00 15.30 H new ATOM 0 HD2 ARG A 115 4.012 12.152 -2.856 1.00 40.34 H new ATOM 0 HD3 ARG A 115 4.160 12.199 -4.601 1.00 40.34 H new ATOM 0 HE ARG A 115 2.360 14.265 -3.896 1.00 12.24 H new ATOM 0 HH11 ARG A 115 5.758 13.427 -3.369 1.00 53.44 H new ATOM 0 HH12 ARG A 115 6.263 15.113 -3.209 1.00 53.44 H new ATOM 0 HH21 ARG A 115 3.028 16.419 -3.706 1.00 71.32 H new ATOM 0 HH22 ARG A 115 4.726 16.797 -3.398 1.00 71.32 H new ATOM 1795 N THR A 116 -1.056 10.248 -4.901 1.00 3.34 N ATOM 1796 CA THR A 116 -2.038 10.780 -5.817 1.00 64.21 C ATOM 1797 C THR A 116 -1.769 12.259 -6.102 1.00 72.24 C ATOM 1798 O THR A 116 -1.913 12.721 -7.236 1.00 61.25 O ATOM 1799 CB THR A 116 -3.452 10.623 -5.234 1.00 5.01 C ATOM 1800 OG1 THR A 116 -3.579 9.323 -4.640 1.00 63.13 O ATOM 1801 CG2 THR A 116 -4.508 10.787 -6.319 1.00 12.32 C ATOM 0 H THR A 116 -1.409 10.085 -3.958 1.00 3.34 H new ATOM 0 HA THR A 116 -1.966 10.220 -6.750 1.00 64.21 H new ATOM 0 HB THR A 116 -3.605 11.396 -4.481 1.00 5.01 H new ATOM 0 HG1 THR A 116 -4.479 9.221 -4.266 1.00 63.13 H new ATOM 0 HG21 THR A 116 -5.500 10.672 -5.882 1.00 12.32 H new ATOM 0 HG22 THR A 116 -4.421 11.778 -6.765 1.00 12.32 H new ATOM 0 HG23 THR A 116 -4.360 10.029 -7.088 1.00 12.32 H new ATOM 1809 N GLU A 117 -1.367 12.990 -5.071 1.00 54.02 N ATOM 1810 CA GLU A 117 -1.095 14.412 -5.201 1.00 75.34 C ATOM 1811 C GLU A 117 0.220 14.764 -4.534 1.00 45.02 C ATOM 1812 O GLU A 117 0.245 14.877 -3.288 1.00 0.00 O ATOM 1813 CB GLU A 117 -2.225 15.243 -4.590 1.00 53.33 C ATOM 1814 CG GLU A 117 -3.565 15.081 -5.283 1.00 72.01 C ATOM 1815 CD GLU A 117 -4.627 15.972 -4.690 1.00 22.45 C ATOM 1816 OE1 GLU A 117 -4.424 17.206 -4.662 1.00 53.03 O ATOM 1817 OE2 GLU A 117 -5.674 15.453 -4.256 1.00 11.14 O ATOM 1818 OXT GLU A 117 1.226 14.935 -5.249 1.00 0.00 O ATOM 0 H GLU A 117 -1.222 12.618 -4.132 1.00 54.02 H new ATOM 0 HA GLU A 117 -1.028 14.644 -6.264 1.00 75.34 H new ATOM 0 HB2 GLU A 117 -2.336 14.968 -3.541 1.00 53.33 H new ATOM 0 HB3 GLU A 117 -1.941 16.295 -4.615 1.00 53.33 H new ATOM 0 HG2 GLU A 117 -3.453 15.309 -6.343 1.00 72.01 H new ATOM 0 HG3 GLU A 117 -3.885 14.041 -5.212 1.00 72.01 H new