USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 611 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 45 HIS : no HD1:sc= -0.791 K(o=-0.79,f=-0.17) USER MOD Set 1.2: A 49 MET CE :methyl -118:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 22:sc= 0.173 USER MOD Single : A 8 CYS SG : rot 4:sc= -0.725 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.19) USER MOD Single : A 18 GLN : amide:sc= -7.83! C(o=-7.8!,f=-9!) USER MOD Single : A 21 GLN : amide:sc= -1.36 K(o=-1.4,f=-4!) USER MOD Single : A 23 TYR OH : rot 30:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0965 X(o=-0.096,f=-0.038) USER MOD Single : A 36 SER OG : rot -130:sc= -0.0768 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.405 K(o=-0.4,f=-2.1!) USER MOD Single : A 44 GLN : amide:sc= -1.44 K(o=-1.4,f=-2.5) USER MOD Single : A 46 LYS NZ :NH3+ -109:sc= 0.0728 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -1.9 K(o=-1.9,f=-2.6!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.113 K(o=-0.11,f=-2.2!) USER MOD Single : A 54 LYS NZ :NH3+ -99:sc= -0.143 (180deg=-2.32!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0879 K(o=-0.088,f=-0.6) USER MOD Single : A 58 MET CE :methyl -173:sc= -12.1! (180deg=-13.2!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.34) USER MOD Single : A 63 HIS : no HD1:sc= -2.88 K(o=-2.9,f=-8.6!) USER MOD Single : A 65 LYS NZ :NH3+ -122:sc= 0.121 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.36 X(o=-0.36,f=0) USER MOD Single : A 71 MET CE :methyl -161:sc= -6.68! (180deg=-8.32!) USER MOD Single : A 73 ASN : amide:sc= -0.0119 X(o=-0.012,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 5 -8.912 -18.636 40.845 1.00 61.43 N ATOM 63 CA THR A 5 -9.352 -18.963 39.493 1.00 75.42 C ATOM 64 C THR A 5 -10.768 -18.448 39.246 1.00 53.15 C ATOM 65 O THR A 5 -11.735 -18.988 39.782 1.00 32.22 O ATOM 66 CB THR A 5 -9.304 -20.478 39.264 1.00 2.14 C ATOM 67 OG1 THR A 5 -8.063 -21.029 39.684 1.00 3.05 O ATOM 68 CG2 THR A 5 -9.507 -20.869 37.816 1.00 34.41 C ATOM 0 HA THR A 5 -8.674 -18.476 38.791 1.00 75.42 H new ATOM 0 HB THR A 5 -10.126 -20.876 39.859 1.00 2.14 H new ATOM 0 HG1 THR A 5 -7.638 -20.425 40.328 1.00 3.05 H new ATOM 0 HG21 THR A 5 -9.462 -21.954 37.722 1.00 34.41 H new ATOM 0 HG22 THR A 5 -10.481 -20.516 37.477 1.00 34.41 H new ATOM 0 HG23 THR A 5 -8.725 -20.419 37.205 1.00 34.41 H new ATOM 76 N ILE A 6 -10.883 -17.402 38.433 1.00 1.53 N ATOM 77 CA ILE A 6 -12.182 -16.817 38.120 1.00 33.41 C ATOM 78 C ILE A 6 -12.862 -17.564 36.980 1.00 11.10 C ATOM 79 O ILE A 6 -12.344 -18.560 36.480 1.00 72.21 O ATOM 80 CB ILE A 6 -12.054 -15.324 37.737 1.00 12.34 C ATOM 81 CG1 ILE A 6 -11.333 -15.161 36.394 1.00 14.45 C ATOM 82 CG2 ILE A 6 -11.324 -14.560 38.830 1.00 42.42 C ATOM 83 CD1 ILE A 6 -11.469 -13.774 35.805 1.00 23.21 C ATOM 0 H ILE A 6 -10.093 -16.943 37.980 1.00 1.53 H new ATOM 0 HA ILE A 6 -12.789 -16.902 39.021 1.00 33.41 H new ATOM 0 HB ILE A 6 -13.058 -14.912 37.632 1.00 12.34 H new ATOM 0 HG12 ILE A 6 -10.276 -15.389 36.527 1.00 14.45 H new ATOM 0 HG13 ILE A 6 -11.729 -15.889 35.686 1.00 14.45 H new ATOM 0 HG21 ILE A 6 -11.241 -13.511 38.547 1.00 42.42 H new ATOM 0 HG22 ILE A 6 -11.880 -14.641 39.764 1.00 42.42 H new ATOM 0 HG23 ILE A 6 -10.327 -14.980 38.964 1.00 42.42 H new ATOM 0 HD11 ILE A 6 -10.935 -13.728 34.856 1.00 23.21 H new ATOM 0 HD12 ILE A 6 -12.523 -13.550 35.640 1.00 23.21 H new ATOM 0 HD13 ILE A 6 -11.047 -13.043 36.494 1.00 23.21 H new ATOM 95 N PHE A 7 -14.019 -17.060 36.568 1.00 13.34 N ATOM 96 CA PHE A 7 -14.774 -17.659 35.476 1.00 50.22 C ATOM 97 C PHE A 7 -14.983 -16.637 34.365 1.00 42.14 C ATOM 98 O PHE A 7 -15.873 -15.791 34.448 1.00 72.41 O ATOM 99 CB PHE A 7 -16.125 -18.170 35.976 1.00 50.24 C ATOM 100 CG PHE A 7 -16.733 -19.223 35.095 1.00 70.43 C ATOM 101 CD1 PHE A 7 -16.218 -20.510 35.078 1.00 13.11 C ATOM 102 CD2 PHE A 7 -17.815 -18.927 34.283 1.00 40.51 C ATOM 103 CE1 PHE A 7 -16.773 -21.481 34.267 1.00 14.44 C ATOM 104 CE2 PHE A 7 -18.374 -19.893 33.469 1.00 31.12 C ATOM 105 CZ PHE A 7 -17.853 -21.173 33.462 1.00 21.53 C ATOM 0 H PHE A 7 -14.456 -16.234 36.977 1.00 13.34 H new ATOM 0 HA PHE A 7 -14.207 -18.503 35.083 1.00 50.22 H new ATOM 0 HB2 PHE A 7 -16.002 -18.575 36.980 1.00 50.24 H new ATOM 0 HB3 PHE A 7 -16.815 -17.330 36.054 1.00 50.24 H new ATOM 0 HD1 PHE A 7 -15.374 -20.756 35.705 1.00 13.11 H new ATOM 0 HD2 PHE A 7 -18.227 -17.929 34.286 1.00 40.51 H new ATOM 0 HE1 PHE A 7 -16.363 -22.480 34.262 1.00 14.44 H new ATOM 0 HE2 PHE A 7 -19.217 -19.648 32.839 1.00 31.12 H new ATOM 0 HZ PHE A 7 -18.289 -21.931 32.828 1.00 21.53 H new ATOM 115 N CYS A 8 -14.153 -16.712 33.331 1.00 31.32 N ATOM 116 CA CYS A 8 -14.248 -15.781 32.216 1.00 54.41 C ATOM 117 C CYS A 8 -15.608 -15.889 31.533 1.00 65.22 C ATOM 118 O CYS A 8 -16.208 -16.964 31.494 1.00 34.32 O ATOM 119 CB CYS A 8 -13.124 -16.038 31.209 1.00 24.25 C ATOM 120 SG CYS A 8 -12.982 -14.773 29.925 1.00 51.15 S ATOM 0 H CYS A 8 -13.410 -17.405 33.243 1.00 31.32 H new ATOM 0 HA CYS A 8 -14.142 -14.769 32.607 1.00 54.41 H new ATOM 0 HB2 CYS A 8 -12.178 -16.104 31.746 1.00 24.25 H new ATOM 0 HB3 CYS A 8 -13.289 -17.005 30.735 1.00 24.25 H new ATOM 0 HG CYS A 8 -13.835 -13.820 30.158 1.00 51.15 H new ATOM 126 N THR A 9 -16.092 -14.773 30.992 1.00 52.25 N ATOM 127 CA THR A 9 -17.382 -14.754 30.310 1.00 12.21 C ATOM 128 C THR A 9 -17.197 -14.866 28.799 1.00 43.22 C ATOM 129 O THR A 9 -18.089 -15.328 28.087 1.00 73.23 O ATOM 130 CB THR A 9 -18.158 -13.480 30.654 1.00 25.02 C ATOM 131 OG1 THR A 9 -19.487 -13.553 30.168 1.00 2.15 O ATOM 132 CG2 THR A 9 -17.534 -12.223 30.089 1.00 1.45 C ATOM 0 H THR A 9 -15.612 -13.873 31.013 1.00 52.25 H new ATOM 0 HA THR A 9 -17.957 -15.614 30.654 1.00 12.21 H new ATOM 0 HB THR A 9 -18.137 -13.419 31.742 1.00 25.02 H new ATOM 0 HG1 THR A 9 -19.966 -12.730 30.400 1.00 2.15 H new ATOM 0 HG21 THR A 9 -18.136 -11.359 30.372 1.00 1.45 H new ATOM 0 HG22 THR A 9 -16.525 -12.108 30.485 1.00 1.45 H new ATOM 0 HG23 THR A 9 -17.491 -12.295 29.002 1.00 1.45 H new ATOM 140 N PHE A 10 -16.029 -14.449 28.316 1.00 65.32 N ATOM 141 CA PHE A 10 -15.725 -14.515 26.892 1.00 62.40 C ATOM 142 C PHE A 10 -15.446 -15.956 26.490 1.00 73.04 C ATOM 143 O PHE A 10 -15.939 -16.437 25.470 1.00 1.33 O ATOM 144 CB PHE A 10 -14.520 -13.632 26.561 1.00 25.33 C ATOM 145 CG PHE A 10 -14.112 -13.689 25.117 1.00 64.10 C ATOM 146 CD1 PHE A 10 -14.967 -13.242 24.123 1.00 61.21 C ATOM 147 CD2 PHE A 10 -12.871 -14.186 24.757 1.00 62.10 C ATOM 148 CE1 PHE A 10 -14.593 -13.292 22.795 1.00 51.44 C ATOM 149 CE2 PHE A 10 -12.492 -14.239 23.430 1.00 3.30 C ATOM 150 CZ PHE A 10 -13.352 -13.791 22.448 1.00 24.22 C ATOM 0 H PHE A 10 -15.280 -14.063 28.890 1.00 65.32 H new ATOM 0 HA PHE A 10 -16.585 -14.149 26.332 1.00 62.40 H new ATOM 0 HB2 PHE A 10 -14.753 -12.600 26.824 1.00 25.33 H new ATOM 0 HB3 PHE A 10 -13.676 -13.936 27.181 1.00 25.33 H new ATOM 0 HD1 PHE A 10 -15.937 -12.850 24.390 1.00 61.21 H new ATOM 0 HD2 PHE A 10 -12.193 -14.536 25.521 1.00 62.10 H new ATOM 0 HE1 PHE A 10 -15.269 -12.942 22.029 1.00 51.44 H new ATOM 0 HE2 PHE A 10 -11.522 -14.631 23.161 1.00 3.30 H new ATOM 0 HZ PHE A 10 -13.056 -13.830 21.410 1.00 24.22 H new ATOM 160 N LEU A 11 -14.668 -16.645 27.316 1.00 73.11 N ATOM 161 CA LEU A 11 -14.334 -18.040 27.070 1.00 31.00 C ATOM 162 C LEU A 11 -15.366 -18.956 27.717 1.00 73.10 C ATOM 163 O LEU A 11 -15.509 -20.116 27.332 1.00 62.15 O ATOM 164 CB LEU A 11 -12.941 -18.364 27.616 1.00 1.01 C ATOM 165 CG LEU A 11 -11.857 -17.338 27.284 1.00 4.35 C ATOM 166 CD1 LEU A 11 -10.741 -17.392 28.317 1.00 41.20 C ATOM 167 CD2 LEU A 11 -11.307 -17.578 25.887 1.00 2.01 C ATOM 0 H LEU A 11 -14.256 -16.257 28.165 1.00 73.11 H new ATOM 0 HA LEU A 11 -14.338 -18.205 25.993 1.00 31.00 H new ATOM 0 HB2 LEU A 11 -13.007 -18.462 28.700 1.00 1.01 H new ATOM 0 HB3 LEU A 11 -12.632 -19.334 27.227 1.00 1.01 H new ATOM 0 HG LEU A 11 -12.302 -16.343 27.310 1.00 4.35 H new ATOM 0 HD11 LEU A 11 -9.977 -16.656 28.066 1.00 41.20 H new ATOM 0 HD12 LEU A 11 -11.148 -17.171 29.304 1.00 41.20 H new ATOM 0 HD13 LEU A 11 -10.297 -18.388 28.322 1.00 41.20 H new ATOM 0 HD21 LEU A 11 -10.537 -16.839 25.667 1.00 2.01 H new ATOM 0 HD22 LEU A 11 -10.877 -18.578 25.832 1.00 2.01 H new ATOM 0 HD23 LEU A 11 -12.113 -17.490 25.159 1.00 2.01 H new ATOM 179 N GLN A 12 -16.076 -18.427 28.709 1.00 23.53 N ATOM 180 CA GLN A 12 -17.088 -19.196 29.417 1.00 23.44 C ATOM 181 C GLN A 12 -16.450 -20.379 30.133 1.00 25.43 C ATOM 182 O GLN A 12 -17.004 -21.480 30.154 1.00 51.41 O ATOM 183 CB GLN A 12 -18.171 -19.679 28.447 1.00 53.11 C ATOM 184 CG GLN A 12 -19.301 -18.680 28.256 1.00 64.42 C ATOM 185 CD GLN A 12 -20.143 -18.506 29.505 1.00 42.33 C ATOM 186 OE1 GLN A 12 -20.624 -19.480 30.086 1.00 24.32 O ATOM 187 NE2 GLN A 12 -20.326 -17.260 29.928 1.00 71.40 N ATOM 0 H GLN A 12 -15.967 -17.468 29.039 1.00 23.53 H new ATOM 0 HA GLN A 12 -17.555 -18.551 30.161 1.00 23.44 H new ATOM 0 HB2 GLN A 12 -17.714 -19.889 27.480 1.00 53.11 H new ATOM 0 HB3 GLN A 12 -18.585 -20.618 28.815 1.00 53.11 H new ATOM 0 HG2 GLN A 12 -18.883 -17.716 27.967 1.00 64.42 H new ATOM 0 HG3 GLN A 12 -19.938 -19.010 27.436 1.00 64.42 H new ATOM 0 HE21 GLN A 12 -19.910 -16.482 29.417 1.00 71.40 H new ATOM 0 HE22 GLN A 12 -20.883 -17.082 30.764 1.00 71.40 H new ATOM 196 N ARG A 13 -15.286 -20.139 30.726 1.00 31.42 N ATOM 197 CA ARG A 13 -14.566 -21.176 31.458 1.00 30.23 C ATOM 198 C ARG A 13 -13.936 -20.590 32.717 1.00 63.10 C ATOM 199 O ARG A 13 -14.107 -19.407 33.013 1.00 64.23 O ATOM 200 CB ARG A 13 -13.476 -21.808 30.583 1.00 73.20 C ATOM 201 CG ARG A 13 -13.713 -21.661 29.089 1.00 72.11 C ATOM 202 CD ARG A 13 -12.465 -22.002 28.292 1.00 24.42 C ATOM 203 NE ARG A 13 -12.777 -22.328 26.901 1.00 51.31 N ATOM 204 CZ ARG A 13 -11.975 -22.051 25.873 1.00 21.21 C ATOM 205 NH1 ARG A 13 -10.805 -21.456 26.069 1.00 22.03 N ATOM 206 NH2 ARG A 13 -12.343 -22.378 24.642 1.00 63.21 N ATOM 0 H ARG A 13 -14.819 -19.232 30.714 1.00 31.42 H new ATOM 0 HA ARG A 13 -15.281 -21.950 31.737 1.00 30.23 H new ATOM 0 HB2 ARG A 13 -12.517 -21.355 30.834 1.00 73.20 H new ATOM 0 HB3 ARG A 13 -13.401 -22.868 30.825 1.00 73.20 H new ATOM 0 HG2 ARG A 13 -14.531 -22.313 28.783 1.00 72.11 H new ATOM 0 HG3 ARG A 13 -14.020 -20.639 28.867 1.00 72.11 H new ATOM 0 HD2 ARG A 13 -11.774 -21.159 28.321 1.00 24.42 H new ATOM 0 HD3 ARG A 13 -11.957 -22.847 28.757 1.00 24.42 H new ATOM 0 HE ARG A 13 -13.662 -22.796 26.706 1.00 51.31 H new ATOM 0 HH11 ARG A 13 -10.512 -21.206 27.013 1.00 22.03 H new ATOM 0 HH12 ARG A 13 -10.199 -21.249 25.275 1.00 22.03 H new ATOM 0 HH21 ARG A 13 -13.238 -22.840 24.483 1.00 63.21 H new ATOM 0 HH22 ARG A 13 -11.731 -22.167 23.854 1.00 63.21 H new ATOM 220 N GLU A 14 -13.201 -21.416 33.451 1.00 1.13 N ATOM 221 CA GLU A 14 -12.542 -20.965 34.672 1.00 34.13 C ATOM 222 C GLU A 14 -11.065 -20.683 34.414 1.00 14.15 C ATOM 223 O GLU A 14 -10.281 -21.600 34.174 1.00 14.24 O ATOM 224 CB GLU A 14 -12.695 -22.007 35.781 1.00 13.12 C ATOM 225 CG GLU A 14 -12.986 -21.399 37.144 1.00 33.02 C ATOM 226 CD GLU A 14 -13.712 -22.354 38.068 1.00 62.23 C ATOM 227 OE1 GLU A 14 -14.610 -23.077 37.588 1.00 33.53 O ATOM 228 OE2 GLU A 14 -13.383 -22.381 39.272 1.00 65.42 O ATOM 0 H GLU A 14 -13.046 -22.398 33.224 1.00 1.13 H new ATOM 0 HA GLU A 14 -13.020 -20.040 34.995 1.00 34.13 H new ATOM 0 HB2 GLU A 14 -13.501 -22.692 35.517 1.00 13.12 H new ATOM 0 HB3 GLU A 14 -11.781 -22.598 35.843 1.00 13.12 H new ATOM 0 HG2 GLU A 14 -12.048 -21.093 37.608 1.00 33.02 H new ATOM 0 HG3 GLU A 14 -13.586 -20.498 37.015 1.00 33.02 H new ATOM 235 N ALA A 15 -10.695 -19.407 34.457 1.00 12.03 N ATOM 236 CA ALA A 15 -9.314 -19.004 34.220 1.00 21.22 C ATOM 237 C ALA A 15 -8.703 -18.350 35.454 1.00 54.41 C ATOM 238 O ALA A 15 -9.399 -18.061 36.428 1.00 2.04 O ATOM 239 CB ALA A 15 -9.243 -18.057 33.033 1.00 50.14 C ATOM 0 H ALA A 15 -11.332 -18.635 34.654 1.00 12.03 H new ATOM 0 HA ALA A 15 -8.736 -19.901 33.999 1.00 21.22 H new ATOM 0 HB1 ALA A 15 -8.207 -17.762 32.864 1.00 50.14 H new ATOM 0 HB2 ALA A 15 -9.627 -18.558 32.144 1.00 50.14 H new ATOM 0 HB3 ALA A 15 -9.844 -17.171 33.238 1.00 50.14 H new ATOM 245 N GLU A 16 -7.394 -18.118 35.404 1.00 3.04 N ATOM 246 CA GLU A 16 -6.679 -17.498 36.514 1.00 72.43 C ATOM 247 C GLU A 16 -7.172 -16.077 36.761 1.00 31.24 C ATOM 248 O GLU A 16 -7.102 -15.568 37.879 1.00 54.24 O ATOM 249 CB GLU A 16 -5.175 -17.486 36.237 1.00 40.45 C ATOM 250 CG GLU A 16 -4.798 -16.715 34.981 1.00 2.55 C ATOM 251 CD GLU A 16 -3.325 -16.833 34.642 1.00 45.03 C ATOM 252 OE1 GLU A 16 -2.655 -17.723 35.207 1.00 44.31 O ATOM 253 OE2 GLU A 16 -2.842 -16.035 33.813 1.00 45.02 O ATOM 0 H GLU A 16 -6.806 -18.351 34.604 1.00 3.04 H new ATOM 0 HA GLU A 16 -6.874 -18.089 37.409 1.00 72.43 H new ATOM 0 HB2 GLU A 16 -4.659 -17.048 37.092 1.00 40.45 H new ATOM 0 HB3 GLU A 16 -4.822 -18.513 36.144 1.00 40.45 H new ATOM 0 HG2 GLU A 16 -5.390 -17.082 34.143 1.00 2.55 H new ATOM 0 HG3 GLU A 16 -5.053 -15.664 35.115 1.00 2.55 H new ATOM 260 N GLY A 17 -7.667 -15.449 35.707 1.00 52.13 N ATOM 261 CA GLY A 17 -8.169 -14.092 35.816 1.00 51.12 C ATOM 262 C GLY A 17 -7.060 -13.069 35.970 1.00 22.35 C ATOM 263 O GLY A 17 -5.934 -13.412 36.333 1.00 53.22 O ATOM 0 H GLY A 17 -7.731 -15.855 34.773 1.00 52.13 H new ATOM 0 HA2 GLY A 17 -8.757 -13.854 34.930 1.00 51.12 H new ATOM 0 HA3 GLY A 17 -8.841 -14.025 36.672 1.00 51.12 H new ATOM 267 N GLN A 18 -7.380 -11.809 35.692 1.00 21.14 N ATOM 268 CA GLN A 18 -6.406 -10.730 35.799 1.00 54.11 C ATOM 269 C GLN A 18 -5.954 -10.543 37.244 1.00 43.52 C ATOM 270 O GLN A 18 -6.401 -11.254 38.144 1.00 15.54 O ATOM 271 CB GLN A 18 -6.999 -9.420 35.278 1.00 11.52 C ATOM 272 CG GLN A 18 -7.309 -9.436 33.791 1.00 53.05 C ATOM 273 CD GLN A 18 -7.970 -8.154 33.325 1.00 62.42 C ATOM 274 OE1 GLN A 18 -7.526 -7.056 33.658 1.00 1.12 O ATOM 275 NE2 GLN A 18 -9.041 -8.287 32.551 1.00 14.32 N ATOM 0 H GLN A 18 -8.308 -11.511 35.391 1.00 21.14 H new ATOM 0 HA GLN A 18 -5.542 -11.002 35.193 1.00 54.11 H new ATOM 0 HB2 GLN A 18 -7.914 -9.202 35.828 1.00 11.52 H new ATOM 0 HB3 GLN A 18 -6.302 -8.608 35.486 1.00 11.52 H new ATOM 0 HG2 GLN A 18 -6.386 -9.590 33.232 1.00 53.05 H new ATOM 0 HG3 GLN A 18 -7.961 -10.280 33.568 1.00 53.05 H new ATOM 0 HE21 GLN A 18 -9.376 -9.217 32.299 1.00 14.32 H new ATOM 0 HE22 GLN A 18 -9.529 -7.459 32.209 1.00 14.32 H new ATOM 284 N ASP A 19 -5.067 -9.575 37.454 1.00 30.30 N ATOM 285 CA ASP A 19 -4.553 -9.279 38.785 1.00 31.15 C ATOM 286 C ASP A 19 -4.934 -7.863 39.211 1.00 54.34 C ATOM 287 O ASP A 19 -5.076 -7.578 40.400 1.00 62.12 O ATOM 288 CB ASP A 19 -3.032 -9.449 38.819 1.00 61.25 C ATOM 289 CG ASP A 19 -2.578 -10.379 39.927 1.00 4.21 C ATOM 290 OD1 ASP A 19 -2.498 -9.926 41.088 1.00 32.45 O ATOM 291 OD2 ASP A 19 -2.305 -11.562 39.634 1.00 63.02 O ATOM 0 H ASP A 19 -4.689 -8.981 36.716 1.00 30.30 H new ATOM 0 HA ASP A 19 -5.002 -9.982 39.487 1.00 31.15 H new ATOM 0 HB2 ASP A 19 -2.691 -9.838 37.860 1.00 61.25 H new ATOM 0 HB3 ASP A 19 -2.563 -8.474 38.952 1.00 61.25 H new ATOM 296 N PHE A 20 -5.104 -6.979 38.231 1.00 75.50 N ATOM 297 CA PHE A 20 -5.471 -5.596 38.502 1.00 61.11 C ATOM 298 C PHE A 20 -6.365 -5.048 37.396 1.00 11.10 C ATOM 299 O PHE A 20 -6.304 -5.504 36.256 1.00 10.14 O ATOM 300 CB PHE A 20 -4.221 -4.725 38.635 1.00 42.10 C ATOM 301 CG PHE A 20 -3.223 -4.930 37.530 1.00 20.33 C ATOM 302 CD1 PHE A 20 -3.369 -4.277 36.316 1.00 53.11 C ATOM 303 CD2 PHE A 20 -2.136 -5.770 37.709 1.00 62.20 C ATOM 304 CE1 PHE A 20 -2.448 -4.460 35.301 1.00 13.12 C ATOM 305 CE2 PHE A 20 -1.214 -5.957 36.698 1.00 64.11 C ATOM 306 CZ PHE A 20 -1.370 -5.301 35.492 1.00 51.01 C ATOM 0 H PHE A 20 -4.993 -7.199 37.241 1.00 75.50 H new ATOM 0 HA PHE A 20 -6.021 -5.573 39.442 1.00 61.11 H new ATOM 0 HB2 PHE A 20 -4.519 -3.677 38.654 1.00 42.10 H new ATOM 0 HB3 PHE A 20 -3.741 -4.937 39.590 1.00 42.10 H new ATOM 0 HD1 PHE A 20 -4.211 -3.618 36.161 1.00 53.11 H new ATOM 0 HD2 PHE A 20 -2.008 -6.284 38.650 1.00 62.20 H new ATOM 0 HE1 PHE A 20 -2.572 -3.945 34.360 1.00 13.12 H new ATOM 0 HE2 PHE A 20 -0.372 -6.616 36.850 1.00 64.11 H new ATOM 0 HZ PHE A 20 -0.650 -5.446 34.700 1.00 51.01 H new ATOM 316 N GLN A 21 -7.195 -4.073 37.742 1.00 15.34 N ATOM 317 CA GLN A 21 -8.104 -3.463 36.778 1.00 22.42 C ATOM 318 C GLN A 21 -7.332 -2.782 35.652 1.00 75.54 C ATOM 319 O GLN A 21 -6.484 -1.923 35.898 1.00 3.30 O ATOM 320 CB GLN A 21 -9.012 -2.453 37.480 1.00 41.11 C ATOM 321 CG GLN A 21 -10.173 -1.979 36.625 1.00 63.45 C ATOM 322 CD GLN A 21 -11.207 -1.209 37.424 1.00 14.32 C ATOM 323 OE1 GLN A 21 -11.233 -1.276 38.652 1.00 21.41 O ATOM 324 NE2 GLN A 21 -12.065 -0.471 36.729 1.00 51.02 N ATOM 0 H GLN A 21 -7.258 -3.687 38.684 1.00 15.34 H new ATOM 0 HA GLN A 21 -8.717 -4.251 36.341 1.00 22.42 H new ATOM 0 HB2 GLN A 21 -9.404 -2.903 38.392 1.00 41.11 H new ATOM 0 HB3 GLN A 21 -8.417 -1.590 37.780 1.00 41.11 H new ATOM 0 HG2 GLN A 21 -9.794 -1.346 35.822 1.00 63.45 H new ATOM 0 HG3 GLN A 21 -10.649 -2.840 36.155 1.00 63.45 H new ATOM 0 HE21 GLN A 21 -12.007 -0.445 35.711 1.00 51.02 H new ATOM 0 HE22 GLN A 21 -12.782 0.069 37.213 1.00 51.02 H new ATOM 333 N LEU A 22 -7.630 -3.173 34.417 1.00 10.45 N ATOM 334 CA LEU A 22 -6.962 -2.605 33.250 1.00 4.02 C ATOM 335 C LEU A 22 -7.744 -1.415 32.696 1.00 35.51 C ATOM 336 O LEU A 22 -7.162 -0.398 32.319 1.00 71.53 O ATOM 337 CB LEU A 22 -6.798 -3.673 32.164 1.00 12.14 C ATOM 338 CG LEU A 22 -5.536 -4.532 32.279 1.00 25.31 C ATOM 339 CD1 LEU A 22 -5.480 -5.226 33.631 1.00 12.30 C ATOM 340 CD2 LEU A 22 -5.488 -5.555 31.154 1.00 4.03 C ATOM 0 H LEU A 22 -8.330 -3.882 34.198 1.00 10.45 H new ATOM 0 HA LEU A 22 -5.978 -2.254 33.560 1.00 4.02 H new ATOM 0 HB2 LEU A 22 -7.668 -4.329 32.188 1.00 12.14 H new ATOM 0 HB3 LEU A 22 -6.796 -3.182 31.191 1.00 12.14 H new ATOM 0 HG LEU A 22 -4.667 -3.879 32.193 1.00 25.31 H new ATOM 0 HD11 LEU A 22 -4.576 -5.831 33.692 1.00 12.30 H new ATOM 0 HD12 LEU A 22 -5.470 -4.478 34.424 1.00 12.30 H new ATOM 0 HD13 LEU A 22 -6.354 -5.867 33.747 1.00 12.30 H new ATOM 0 HD21 LEU A 22 -4.585 -6.158 31.249 1.00 4.03 H new ATOM 0 HD22 LEU A 22 -6.364 -6.201 31.212 1.00 4.03 H new ATOM 0 HD23 LEU A 22 -5.480 -5.040 30.194 1.00 4.03 H new ATOM 352 N TYR A 23 -9.065 -1.549 32.662 1.00 34.05 N ATOM 353 CA TYR A 23 -9.938 -0.487 32.168 1.00 23.50 C ATOM 354 C TYR A 23 -10.401 0.393 33.329 1.00 25.40 C ATOM 355 O TYR A 23 -10.216 0.040 34.489 1.00 43.13 O ATOM 356 CB TYR A 23 -11.144 -1.094 31.451 1.00 63.45 C ATOM 357 CG TYR A 23 -11.356 -0.575 30.053 1.00 52.33 C ATOM 358 CD1 TYR A 23 -10.297 -0.435 29.168 1.00 65.42 C ATOM 359 CD2 TYR A 23 -12.623 -0.220 29.624 1.00 4.51 C ATOM 360 CE1 TYR A 23 -10.500 0.047 27.890 1.00 33.35 C ATOM 361 CE2 TYR A 23 -12.837 0.264 28.350 1.00 71.50 C ATOM 362 CZ TYR A 23 -11.773 0.396 27.484 1.00 12.35 C ATOM 363 OH TYR A 23 -11.983 0.883 26.213 1.00 2.05 O ATOM 0 H TYR A 23 -9.558 -2.386 32.972 1.00 34.05 H new ATOM 0 HA TYR A 23 -9.382 0.129 31.461 1.00 23.50 H new ATOM 0 HB2 TYR A 23 -11.021 -2.176 31.410 1.00 63.45 H new ATOM 0 HB3 TYR A 23 -12.040 -0.897 32.040 1.00 63.45 H new ATOM 0 HD1 TYR A 23 -9.300 -0.707 29.483 1.00 65.42 H new ATOM 0 HD2 TYR A 23 -13.460 -0.324 30.299 1.00 4.51 H new ATOM 0 HE1 TYR A 23 -9.667 0.151 27.211 1.00 33.35 H new ATOM 0 HE2 TYR A 23 -13.832 0.538 28.033 1.00 71.50 H new ATOM 0 HH TYR A 23 -11.320 0.499 25.602 1.00 2.05 H new ATOM 373 N PRO A 24 -11.001 1.558 33.042 1.00 32.24 N ATOM 374 CA PRO A 24 -11.474 2.477 34.074 1.00 11.05 C ATOM 375 C PRO A 24 -12.920 2.220 34.475 1.00 1.33 C ATOM 376 O PRO A 24 -13.540 1.246 34.042 1.00 21.12 O ATOM 377 CB PRO A 24 -11.372 3.810 33.355 1.00 65.33 C ATOM 378 CG PRO A 24 -11.812 3.475 31.973 1.00 43.20 C ATOM 379 CD PRO A 24 -11.263 2.095 31.693 1.00 63.42 C ATOM 0 HA PRO A 24 -10.908 2.396 35.002 1.00 11.05 H new ATOM 0 HB2 PRO A 24 -12.012 4.565 33.811 1.00 65.33 H new ATOM 0 HB3 PRO A 24 -10.355 4.202 33.372 1.00 65.33 H new ATOM 0 HG2 PRO A 24 -12.899 3.487 31.894 1.00 43.20 H new ATOM 0 HG3 PRO A 24 -11.432 4.201 31.254 1.00 43.20 H new ATOM 0 HD2 PRO A 24 -11.978 1.480 31.146 1.00 63.42 H new ATOM 0 HD3 PRO A 24 -10.354 2.137 31.093 1.00 63.42 H new ATOM 387 N GLY A 25 -13.456 3.124 35.287 1.00 62.31 N ATOM 388 CA GLY A 25 -14.835 3.027 35.733 1.00 55.53 C ATOM 389 C GLY A 25 -15.276 1.625 36.101 1.00 61.45 C ATOM 390 O GLY A 25 -14.516 0.848 36.678 1.00 31.03 O ATOM 0 H GLY A 25 -12.952 3.934 35.649 1.00 62.31 H new ATOM 0 HA2 GLY A 25 -14.971 3.676 36.598 1.00 55.53 H new ATOM 0 HA3 GLY A 25 -15.487 3.405 34.945 1.00 55.53 H new ATOM 394 N GLU A 26 -16.527 1.320 35.773 1.00 34.32 N ATOM 395 CA GLU A 26 -17.118 0.019 36.072 1.00 25.33 C ATOM 396 C GLU A 26 -16.715 -1.025 35.038 1.00 14.12 C ATOM 397 O GLU A 26 -16.524 -2.196 35.364 1.00 61.02 O ATOM 398 CB GLU A 26 -18.643 0.140 36.122 1.00 60.13 C ATOM 399 CG GLU A 26 -19.228 -0.038 37.512 1.00 32.34 C ATOM 400 CD GLU A 26 -19.455 1.283 38.221 1.00 53.51 C ATOM 401 OE1 GLU A 26 -20.136 2.157 37.643 1.00 61.30 O ATOM 402 OE2 GLU A 26 -18.951 1.445 39.353 1.00 44.40 O ATOM 0 H GLU A 26 -17.158 1.963 35.295 1.00 34.32 H new ATOM 0 HA GLU A 26 -16.745 -0.306 37.043 1.00 25.33 H new ATOM 0 HB2 GLU A 26 -18.933 1.118 35.739 1.00 60.13 H new ATOM 0 HB3 GLU A 26 -19.079 -0.605 35.457 1.00 60.13 H new ATOM 0 HG2 GLU A 26 -20.174 -0.574 37.438 1.00 32.34 H new ATOM 0 HG3 GLU A 26 -18.557 -0.656 38.109 1.00 32.34 H new ATOM 409 N LEU A 27 -16.595 -0.592 33.789 1.00 43.20 N ATOM 410 CA LEU A 27 -16.224 -1.488 32.702 1.00 70.03 C ATOM 411 C LEU A 27 -14.934 -2.228 33.026 1.00 3.24 C ATOM 412 O LEU A 27 -14.859 -3.450 32.905 1.00 43.43 O ATOM 413 CB LEU A 27 -16.062 -0.706 31.400 1.00 42.54 C ATOM 414 CG LEU A 27 -16.727 -1.340 30.176 1.00 51.12 C ATOM 415 CD1 LEU A 27 -16.216 -2.751 29.948 1.00 14.22 C ATOM 416 CD2 LEU A 27 -18.240 -1.328 30.320 1.00 51.13 C ATOM 0 H LEU A 27 -16.749 0.375 33.504 1.00 43.20 H new ATOM 0 HA LEU A 27 -17.022 -2.220 32.580 1.00 70.03 H new ATOM 0 HB2 LEU A 27 -16.473 0.294 31.541 1.00 42.54 H new ATOM 0 HB3 LEU A 27 -14.998 -0.587 31.196 1.00 42.54 H new ATOM 0 HG LEU A 27 -16.464 -0.744 29.302 1.00 51.12 H new ATOM 0 HD11 LEU A 27 -16.705 -3.178 29.072 1.00 14.22 H new ATOM 0 HD12 LEU A 27 -15.138 -2.726 29.786 1.00 14.22 H new ATOM 0 HD13 LEU A 27 -16.437 -3.364 30.822 1.00 14.22 H new ATOM 0 HD21 LEU A 27 -18.693 -1.783 29.439 1.00 51.13 H new ATOM 0 HD22 LEU A 27 -18.525 -1.893 31.208 1.00 51.13 H new ATOM 0 HD23 LEU A 27 -18.588 -0.300 30.417 1.00 51.13 H new ATOM 428 N GLY A 28 -13.916 -1.491 33.447 1.00 3.43 N ATOM 429 CA GLY A 28 -12.657 -2.118 33.787 1.00 70.33 C ATOM 430 C GLY A 28 -12.811 -3.094 34.928 1.00 53.45 C ATOM 431 O GLY A 28 -12.124 -4.114 34.982 1.00 64.53 O ATOM 0 H GLY A 28 -13.939 -0.477 33.558 1.00 3.43 H new ATOM 0 HA2 GLY A 28 -12.262 -2.638 32.914 1.00 70.33 H new ATOM 0 HA3 GLY A 28 -11.930 -1.352 34.058 1.00 70.33 H new ATOM 435 N LYS A 29 -13.732 -2.791 35.836 1.00 41.30 N ATOM 436 CA LYS A 29 -13.989 -3.664 36.971 1.00 11.31 C ATOM 437 C LYS A 29 -14.575 -4.991 36.497 1.00 74.12 C ATOM 438 O LYS A 29 -14.179 -6.056 36.968 1.00 50.10 O ATOM 439 CB LYS A 29 -14.938 -2.988 37.965 1.00 13.40 C ATOM 440 CG LYS A 29 -14.225 -2.385 39.165 1.00 74.43 C ATOM 441 CD LYS A 29 -15.168 -1.542 40.010 1.00 54.40 C ATOM 442 CE LYS A 29 -14.512 -1.116 41.314 1.00 33.14 C ATOM 443 NZ LYS A 29 -15.452 -0.359 42.187 1.00 73.52 N ATOM 0 H LYS A 29 -14.310 -1.951 35.807 1.00 41.30 H new ATOM 0 HA LYS A 29 -13.043 -3.861 37.476 1.00 11.31 H new ATOM 0 HB2 LYS A 29 -15.494 -2.204 37.450 1.00 13.40 H new ATOM 0 HB3 LYS A 29 -15.667 -3.719 38.314 1.00 13.40 H new ATOM 0 HG2 LYS A 29 -13.802 -3.182 39.776 1.00 74.43 H new ATOM 0 HG3 LYS A 29 -13.393 -1.770 38.823 1.00 74.43 H new ATOM 0 HD2 LYS A 29 -15.472 -0.659 39.448 1.00 54.40 H new ATOM 0 HD3 LYS A 29 -16.073 -2.110 40.225 1.00 54.40 H new ATOM 0 HE2 LYS A 29 -14.154 -1.998 41.845 1.00 33.14 H new ATOM 0 HE3 LYS A 29 -13.641 -0.498 41.097 1.00 33.14 H new ATOM 0 HZ1 LYS A 29 -14.967 -0.087 43.066 1.00 73.52 H new ATOM 0 HZ2 LYS A 29 -15.775 0.496 41.690 1.00 73.52 H new ATOM 0 HZ3 LYS A 29 -16.272 -0.957 42.415 1.00 73.52 H new ATOM 457 N ARG A 30 -15.519 -4.921 35.558 1.00 14.42 N ATOM 458 CA ARG A 30 -16.152 -6.126 35.026 1.00 74.43 C ATOM 459 C ARG A 30 -15.173 -6.932 34.169 1.00 51.04 C ATOM 460 O ARG A 30 -15.154 -8.156 34.242 1.00 65.32 O ATOM 461 CB ARG A 30 -17.412 -5.779 34.227 1.00 42.34 C ATOM 462 CG ARG A 30 -17.153 -4.893 33.024 1.00 12.00 C ATOM 463 CD ARG A 30 -18.448 -4.389 32.408 1.00 64.35 C ATOM 464 NE ARG A 30 -19.153 -3.469 33.297 1.00 14.55 N ATOM 465 CZ ARG A 30 -20.050 -3.850 34.205 1.00 44.23 C ATOM 466 NH1 ARG A 30 -20.368 -5.132 34.342 1.00 71.24 N ATOM 467 NH2 ARG A 30 -20.633 -2.946 34.979 1.00 70.40 N ATOM 0 H ARG A 30 -15.860 -4.049 35.153 1.00 14.42 H new ATOM 0 HA ARG A 30 -16.447 -6.745 35.873 1.00 74.43 H new ATOM 0 HB2 ARG A 30 -17.883 -6.703 33.891 1.00 42.34 H new ATOM 0 HB3 ARG A 30 -18.123 -5.281 34.886 1.00 42.34 H new ATOM 0 HG2 ARG A 30 -16.538 -4.044 33.323 1.00 12.00 H new ATOM 0 HG3 ARG A 30 -16.587 -5.450 32.277 1.00 12.00 H new ATOM 0 HD2 ARG A 30 -18.230 -3.887 31.465 1.00 64.35 H new ATOM 0 HD3 ARG A 30 -19.094 -5.236 32.176 1.00 64.35 H new ATOM 0 HE ARG A 30 -18.946 -2.473 33.218 1.00 14.55 H new ATOM 0 HH11 ARG A 30 -19.924 -5.834 33.749 1.00 71.24 H new ATOM 0 HH12 ARG A 30 -21.056 -5.415 35.040 1.00 71.24 H new ATOM 0 HH21 ARG A 30 -20.395 -1.959 34.879 1.00 70.40 H new ATOM 0 HH22 ARG A 30 -21.320 -3.237 35.675 1.00 70.40 H new ATOM 481 N ILE A 31 -14.353 -6.251 33.370 1.00 42.52 N ATOM 482 CA ILE A 31 -13.371 -6.945 32.531 1.00 44.44 C ATOM 483 C ILE A 31 -12.382 -7.687 33.407 1.00 73.55 C ATOM 484 O ILE A 31 -12.163 -8.887 33.257 1.00 62.43 O ATOM 485 CB ILE A 31 -12.587 -5.973 31.626 1.00 54.41 C ATOM 486 CG1 ILE A 31 -13.536 -5.088 30.826 1.00 20.53 C ATOM 487 CG2 ILE A 31 -11.666 -6.740 30.691 1.00 14.54 C ATOM 488 CD1 ILE A 31 -13.010 -3.687 30.650 1.00 24.11 C ATOM 0 H ILE A 31 -14.346 -5.235 33.284 1.00 42.52 H new ATOM 0 HA ILE A 31 -13.925 -7.637 31.896 1.00 44.44 H new ATOM 0 HB ILE A 31 -11.980 -5.332 32.265 1.00 54.41 H new ATOM 0 HG12 ILE A 31 -13.705 -5.535 29.846 1.00 20.53 H new ATOM 0 HG13 ILE A 31 -14.502 -5.049 31.329 1.00 20.53 H new ATOM 0 HG21 ILE A 31 -11.121 -6.038 30.060 1.00 14.54 H new ATOM 0 HG22 ILE A 31 -10.958 -7.326 31.277 1.00 14.54 H new ATOM 0 HG23 ILE A 31 -12.258 -7.407 30.064 1.00 14.54 H new ATOM 0 HD11 ILE A 31 -13.725 -3.100 30.073 1.00 24.11 H new ATOM 0 HD12 ILE A 31 -12.867 -3.227 31.628 1.00 24.11 H new ATOM 0 HD13 ILE A 31 -12.057 -3.720 30.121 1.00 24.11 H new ATOM 500 N TYR A 32 -11.803 -6.951 34.335 1.00 64.50 N ATOM 501 CA TYR A 32 -10.849 -7.509 35.270 1.00 23.32 C ATOM 502 C TYR A 32 -11.516 -8.592 36.124 1.00 71.21 C ATOM 503 O TYR A 32 -10.835 -9.408 36.746 1.00 4.24 O ATOM 504 CB TYR A 32 -10.266 -6.380 36.131 1.00 61.31 C ATOM 505 CG TYR A 32 -9.940 -6.767 37.552 1.00 14.12 C ATOM 506 CD1 TYR A 32 -8.688 -7.258 37.888 1.00 54.11 C ATOM 507 CD2 TYR A 32 -10.885 -6.628 38.556 1.00 20.14 C ATOM 508 CE1 TYR A 32 -8.385 -7.604 39.192 1.00 31.22 C ATOM 509 CE2 TYR A 32 -10.595 -6.972 39.863 1.00 50.43 C ATOM 510 CZ TYR A 32 -9.343 -7.459 40.176 1.00 75.01 C ATOM 511 OH TYR A 32 -9.050 -7.799 41.477 1.00 23.44 O ATOM 0 H TYR A 32 -11.980 -5.954 34.461 1.00 64.50 H new ATOM 0 HA TYR A 32 -10.030 -7.983 34.729 1.00 23.32 H new ATOM 0 HB2 TYR A 32 -9.359 -6.011 35.653 1.00 61.31 H new ATOM 0 HB3 TYR A 32 -10.976 -5.553 36.149 1.00 61.31 H new ATOM 0 HD1 TYR A 32 -7.938 -7.372 37.120 1.00 54.11 H new ATOM 0 HD2 TYR A 32 -11.865 -6.244 38.313 1.00 20.14 H new ATOM 0 HE1 TYR A 32 -7.405 -7.985 39.439 1.00 31.22 H new ATOM 0 HE2 TYR A 32 -11.343 -6.860 40.634 1.00 50.43 H new ATOM 0 HH TYR A 32 -9.833 -7.635 42.042 1.00 23.44 H new ATOM 521 N ASN A 33 -12.853 -8.588 36.157 1.00 73.34 N ATOM 522 CA ASN A 33 -13.601 -9.570 36.952 1.00 54.32 C ATOM 523 C ASN A 33 -14.082 -10.758 36.116 1.00 71.34 C ATOM 524 O ASN A 33 -13.900 -11.911 36.502 1.00 44.01 O ATOM 525 CB ASN A 33 -14.814 -8.912 37.614 1.00 0.31 C ATOM 526 CG ASN A 33 -14.561 -8.548 39.062 1.00 15.51 C ATOM 527 OD1 ASN A 33 -15.049 -9.213 39.977 1.00 33.41 O ATOM 528 ND2 ASN A 33 -13.800 -7.485 39.279 1.00 61.25 N ATOM 0 H ASN A 33 -13.435 -7.923 35.648 1.00 73.34 H new ATOM 0 HA ASN A 33 -12.911 -9.942 37.709 1.00 54.32 H new ATOM 0 HB2 ASN A 33 -15.083 -8.013 37.059 1.00 0.31 H new ATOM 0 HB3 ASN A 33 -15.666 -9.589 37.557 1.00 0.31 H new ATOM 0 HD21 ASN A 33 -13.598 -7.189 40.234 1.00 61.25 H new ATOM 0 HD22 ASN A 33 -13.416 -6.963 38.491 1.00 61.25 H new ATOM 535 N GLU A 34 -14.734 -10.469 34.996 1.00 11.44 N ATOM 536 CA GLU A 34 -15.283 -11.521 34.141 1.00 12.01 C ATOM 537 C GLU A 34 -14.387 -11.847 32.945 1.00 33.04 C ATOM 538 O GLU A 34 -14.571 -12.874 32.298 1.00 14.34 O ATOM 539 CB GLU A 34 -16.672 -11.122 33.639 1.00 14.34 C ATOM 540 CG GLU A 34 -17.597 -10.621 34.737 1.00 71.44 C ATOM 541 CD GLU A 34 -18.655 -11.638 35.115 1.00 43.43 C ATOM 542 OE1 GLU A 34 -19.327 -12.164 34.202 1.00 51.51 O ATOM 543 OE2 GLU A 34 -18.812 -11.909 36.324 1.00 60.04 O ATOM 0 H GLU A 34 -14.896 -9.521 34.658 1.00 11.44 H new ATOM 0 HA GLU A 34 -15.345 -12.419 34.756 1.00 12.01 H new ATOM 0 HB2 GLU A 34 -16.566 -10.345 32.882 1.00 14.34 H new ATOM 0 HB3 GLU A 34 -17.133 -11.981 33.151 1.00 14.34 H new ATOM 0 HG2 GLU A 34 -17.007 -10.371 35.619 1.00 71.44 H new ATOM 0 HG3 GLU A 34 -18.082 -9.702 34.407 1.00 71.44 H new ATOM 550 N ILE A 35 -13.433 -10.979 32.639 1.00 41.23 N ATOM 551 CA ILE A 35 -12.540 -11.213 31.507 1.00 15.01 C ATOM 552 C ILE A 35 -11.111 -11.482 31.972 1.00 22.10 C ATOM 553 O ILE A 35 -10.404 -10.569 32.401 1.00 72.42 O ATOM 554 CB ILE A 35 -12.543 -10.018 30.528 1.00 65.24 C ATOM 555 CG1 ILE A 35 -13.967 -9.715 30.052 1.00 43.31 C ATOM 556 CG2 ILE A 35 -11.638 -10.302 29.336 1.00 51.33 C ATOM 557 CD1 ILE A 35 -14.739 -10.945 29.637 1.00 44.35 C ATOM 0 H ILE A 35 -13.256 -10.115 33.151 1.00 41.23 H new ATOM 0 HA ILE A 35 -12.916 -12.095 30.988 1.00 15.01 H new ATOM 0 HB ILE A 35 -12.160 -9.144 31.055 1.00 65.24 H new ATOM 0 HG12 ILE A 35 -14.508 -9.209 30.851 1.00 43.31 H new ATOM 0 HG13 ILE A 35 -13.921 -9.024 29.210 1.00 43.31 H new ATOM 0 HG21 ILE A 35 -11.652 -9.449 28.657 1.00 51.33 H new ATOM 0 HG22 ILE A 35 -10.619 -10.471 29.685 1.00 51.33 H new ATOM 0 HG23 ILE A 35 -11.994 -11.189 28.812 1.00 51.33 H new ATOM 0 HD11 ILE A 35 -15.738 -10.655 29.312 1.00 44.35 H new ATOM 0 HD12 ILE A 35 -14.220 -11.441 28.817 1.00 44.35 H new ATOM 0 HD13 ILE A 35 -14.817 -11.628 30.483 1.00 44.35 H new ATOM 569 N SER A 36 -10.692 -12.741 31.878 1.00 32.24 N ATOM 570 CA SER A 36 -9.348 -13.132 32.283 1.00 70.31 C ATOM 571 C SER A 36 -8.306 -12.544 31.335 1.00 1.11 C ATOM 572 O SER A 36 -8.649 -11.890 30.351 1.00 2.44 O ATOM 573 CB SER A 36 -9.223 -14.656 32.312 1.00 53.15 C ATOM 574 OG SER A 36 -7.945 -15.056 32.774 1.00 41.34 O ATOM 0 H SER A 36 -11.265 -13.507 31.525 1.00 32.24 H new ATOM 0 HA SER A 36 -9.168 -12.742 33.285 1.00 70.31 H new ATOM 0 HB2 SER A 36 -9.994 -15.075 32.959 1.00 53.15 H new ATOM 0 HB3 SER A 36 -9.393 -15.057 31.313 1.00 53.15 H new ATOM 0 HG SER A 36 -7.564 -15.712 32.154 1.00 41.34 H new ATOM 580 N LYS A 37 -7.034 -12.777 31.639 1.00 42.00 N ATOM 581 CA LYS A 37 -5.947 -12.266 30.812 1.00 52.25 C ATOM 582 C LYS A 37 -5.951 -12.922 29.433 1.00 52.31 C ATOM 583 O LYS A 37 -5.525 -12.320 28.448 1.00 14.05 O ATOM 584 CB LYS A 37 -4.601 -12.501 31.498 1.00 71.22 C ATOM 585 CG LYS A 37 -4.303 -11.507 32.609 1.00 2.54 C ATOM 586 CD LYS A 37 -3.272 -12.053 33.584 1.00 32.52 C ATOM 587 CE LYS A 37 -2.360 -10.953 34.105 1.00 55.32 C ATOM 588 NZ LYS A 37 -0.945 -11.405 34.208 1.00 43.10 N ATOM 0 H LYS A 37 -6.731 -13.315 32.450 1.00 42.00 H new ATOM 0 HA LYS A 37 -6.099 -11.194 30.683 1.00 52.25 H new ATOM 0 HB2 LYS A 37 -4.584 -13.510 31.910 1.00 71.22 H new ATOM 0 HB3 LYS A 37 -3.808 -12.448 30.752 1.00 71.22 H new ATOM 0 HG2 LYS A 37 -3.939 -10.575 32.177 1.00 2.54 H new ATOM 0 HG3 LYS A 37 -5.223 -11.272 33.144 1.00 2.54 H new ATOM 0 HD2 LYS A 37 -3.779 -12.533 34.421 1.00 32.52 H new ATOM 0 HD3 LYS A 37 -2.674 -12.820 33.091 1.00 32.52 H new ATOM 0 HE2 LYS A 37 -2.418 -10.090 33.442 1.00 55.32 H new ATOM 0 HE3 LYS A 37 -2.709 -10.626 35.085 1.00 55.32 H new ATOM 0 HZ1 LYS A 37 -0.357 -10.626 34.567 1.00 43.10 H new ATOM 0 HZ2 LYS A 37 -0.885 -12.213 34.860 1.00 43.10 H new ATOM 0 HZ3 LYS A 37 -0.603 -11.693 33.269 1.00 43.10 H new ATOM 602 N GLU A 38 -6.434 -14.160 29.370 1.00 41.40 N ATOM 603 CA GLU A 38 -6.490 -14.896 28.112 1.00 54.20 C ATOM 604 C GLU A 38 -7.503 -14.273 27.155 1.00 31.43 C ATOM 605 O GLU A 38 -7.226 -14.110 25.966 1.00 60.21 O ATOM 606 CB GLU A 38 -6.848 -16.361 28.371 1.00 41.40 C ATOM 607 CG GLU A 38 -6.444 -17.293 27.239 1.00 62.41 C ATOM 608 CD GLU A 38 -7.638 -17.909 26.534 1.00 30.14 C ATOM 609 OE1 GLU A 38 -8.178 -17.265 25.609 1.00 54.15 O ATOM 610 OE2 GLU A 38 -8.032 -19.034 26.906 1.00 72.33 O ATOM 0 H GLU A 38 -6.792 -14.674 30.175 1.00 41.40 H new ATOM 0 HA GLU A 38 -5.505 -14.845 27.648 1.00 54.20 H new ATOM 0 HB2 GLU A 38 -6.363 -16.688 29.291 1.00 41.40 H new ATOM 0 HB3 GLU A 38 -7.923 -16.441 28.531 1.00 41.40 H new ATOM 0 HG2 GLU A 38 -5.845 -16.740 26.515 1.00 62.41 H new ATOM 0 HG3 GLU A 38 -5.812 -18.087 27.636 1.00 62.41 H new ATOM 617 N ALA A 39 -8.676 -13.926 27.678 1.00 51.41 N ATOM 618 CA ALA A 39 -9.725 -13.323 26.866 1.00 63.44 C ATOM 619 C ALA A 39 -9.378 -11.883 26.499 1.00 13.12 C ATOM 620 O ALA A 39 -9.702 -11.418 25.406 1.00 44.04 O ATOM 621 CB ALA A 39 -11.058 -13.378 27.595 1.00 12.31 C ATOM 0 H ALA A 39 -8.922 -14.053 28.660 1.00 51.41 H new ATOM 0 HA ALA A 39 -9.807 -13.896 25.942 1.00 63.44 H new ATOM 0 HB1 ALA A 39 -11.831 -12.924 26.975 1.00 12.31 H new ATOM 0 HB2 ALA A 39 -11.319 -14.417 27.797 1.00 12.31 H new ATOM 0 HB3 ALA A 39 -10.981 -12.833 28.536 1.00 12.31 H new ATOM 627 N TRP A 40 -8.718 -11.184 27.415 1.00 21.45 N ATOM 628 CA TRP A 40 -8.329 -9.797 27.180 1.00 64.40 C ATOM 629 C TRP A 40 -7.346 -9.701 26.019 1.00 11.24 C ATOM 630 O TRP A 40 -7.357 -8.731 25.262 1.00 3.30 O ATOM 631 CB TRP A 40 -7.706 -9.192 28.440 1.00 22.34 C ATOM 632 CG TRP A 40 -7.568 -7.701 28.377 1.00 24.04 C ATOM 633 CD1 TRP A 40 -6.415 -6.979 28.489 1.00 14.34 C ATOM 634 CD2 TRP A 40 -8.621 -6.749 28.187 1.00 71.33 C ATOM 635 NE1 TRP A 40 -6.686 -5.636 28.380 1.00 2.03 N ATOM 636 CE2 TRP A 40 -8.033 -5.470 28.195 1.00 22.04 C ATOM 637 CE3 TRP A 40 -10.004 -6.852 28.011 1.00 10.53 C ATOM 638 CZ2 TRP A 40 -8.778 -4.305 28.033 1.00 13.34 C ATOM 639 CZ3 TRP A 40 -10.744 -5.695 27.851 1.00 12.25 C ATOM 640 CH2 TRP A 40 -10.130 -4.435 27.863 1.00 72.40 C ATOM 0 H TRP A 40 -8.441 -11.553 28.325 1.00 21.45 H new ATOM 0 HA TRP A 40 -9.227 -9.234 26.925 1.00 64.40 H new ATOM 0 HB2 TRP A 40 -8.318 -9.457 29.302 1.00 22.34 H new ATOM 0 HB3 TRP A 40 -6.723 -9.634 28.599 1.00 22.34 H new ATOM 0 HD1 TRP A 40 -5.433 -7.402 28.641 1.00 14.34 H new ATOM 0 HE1 TRP A 40 -5.997 -4.886 28.429 1.00 2.03 H new ATOM 0 HE3 TRP A 40 -10.486 -7.818 28.000 1.00 10.53 H new ATOM 0 HZ2 TRP A 40 -8.306 -3.334 28.041 1.00 13.34 H new ATOM 0 HZ3 TRP A 40 -11.813 -5.763 27.714 1.00 12.25 H new ATOM 0 HH2 TRP A 40 -10.735 -3.550 27.736 1.00 72.40 H new ATOM 651 N ALA A 41 -6.499 -10.717 25.879 1.00 22.20 N ATOM 652 CA ALA A 41 -5.516 -10.747 24.805 1.00 53.14 C ATOM 653 C ALA A 41 -6.201 -10.840 23.447 1.00 42.33 C ATOM 654 O ALA A 41 -5.664 -10.388 22.436 1.00 53.05 O ATOM 655 CB ALA A 41 -4.554 -11.912 24.999 1.00 23.01 C ATOM 0 H ALA A 41 -6.475 -11.529 26.496 1.00 22.20 H new ATOM 0 HA ALA A 41 -4.947 -9.818 24.835 1.00 53.14 H new ATOM 0 HB1 ALA A 41 -3.825 -11.921 24.188 1.00 23.01 H new ATOM 0 HB2 ALA A 41 -4.036 -11.801 25.952 1.00 23.01 H new ATOM 0 HB3 ALA A 41 -5.112 -12.849 24.996 1.00 23.01 H new ATOM 661 N GLN A 42 -7.397 -11.420 23.434 1.00 45.32 N ATOM 662 CA GLN A 42 -8.164 -11.560 22.204 1.00 24.31 C ATOM 663 C GLN A 42 -8.835 -10.239 21.852 1.00 23.11 C ATOM 664 O GLN A 42 -8.978 -9.896 20.678 1.00 73.11 O ATOM 665 CB GLN A 42 -9.214 -12.663 22.359 1.00 64.34 C ATOM 666 CG GLN A 42 -8.643 -13.975 22.869 1.00 12.21 C ATOM 667 CD GLN A 42 -9.307 -15.184 22.243 1.00 5.23 C ATOM 668 OE1 GLN A 42 -9.767 -15.134 21.102 1.00 75.14 O ATOM 669 NE2 GLN A 42 -9.363 -16.281 22.989 1.00 44.42 N ATOM 0 H GLN A 42 -7.855 -11.800 24.262 1.00 45.32 H new ATOM 0 HA GLN A 42 -7.486 -11.835 21.396 1.00 24.31 H new ATOM 0 HB2 GLN A 42 -9.989 -12.322 23.045 1.00 64.34 H new ATOM 0 HB3 GLN A 42 -9.694 -12.835 21.396 1.00 64.34 H new ATOM 0 HG2 GLN A 42 -7.573 -14.006 22.663 1.00 12.21 H new ATOM 0 HG3 GLN A 42 -8.760 -14.021 23.952 1.00 12.21 H new ATOM 0 HE21 GLN A 42 -8.969 -16.279 23.930 1.00 44.42 H new ATOM 0 HE22 GLN A 42 -9.800 -17.126 22.621 1.00 44.42 H new ATOM 678 N TRP A 43 -9.231 -9.493 22.880 1.00 55.12 N ATOM 679 CA TRP A 43 -9.871 -8.202 22.680 1.00 54.33 C ATOM 680 C TRP A 43 -8.835 -7.155 22.285 1.00 32.20 C ATOM 681 O TRP A 43 -8.996 -6.456 21.285 1.00 45.45 O ATOM 682 CB TRP A 43 -10.605 -7.756 23.948 1.00 21.24 C ATOM 683 CG TRP A 43 -10.920 -6.289 23.959 1.00 14.31 C ATOM 684 CD1 TRP A 43 -10.439 -5.354 24.829 1.00 42.10 C ATOM 685 CD2 TRP A 43 -11.771 -5.588 23.044 1.00 45.21 C ATOM 686 NE1 TRP A 43 -10.947 -4.116 24.519 1.00 3.05 N ATOM 687 CE2 TRP A 43 -11.767 -4.233 23.426 1.00 43.44 C ATOM 688 CE3 TRP A 43 -12.538 -5.975 21.940 1.00 21.12 C ATOM 689 CZ2 TRP A 43 -12.499 -3.266 22.743 1.00 41.34 C ATOM 690 CZ3 TRP A 43 -13.264 -5.011 21.263 1.00 23.33 C ATOM 691 CH2 TRP A 43 -13.240 -3.672 21.668 1.00 23.41 C ATOM 0 H TRP A 43 -9.119 -9.762 23.857 1.00 55.12 H new ATOM 0 HA TRP A 43 -10.600 -8.305 21.876 1.00 54.33 H new ATOM 0 HB2 TRP A 43 -11.532 -8.322 24.042 1.00 21.24 H new ATOM 0 HB3 TRP A 43 -9.995 -7.997 24.818 1.00 21.24 H new ATOM 0 HD1 TRP A 43 -9.758 -5.558 25.642 1.00 42.10 H new ATOM 0 HE1 TRP A 43 -10.747 -3.250 25.020 1.00 3.05 H new ATOM 0 HE3 TRP A 43 -12.563 -7.007 21.622 1.00 21.12 H new ATOM 0 HZ2 TRP A 43 -12.482 -2.231 23.051 1.00 41.34 H new ATOM 0 HZ3 TRP A 43 -13.859 -5.297 20.408 1.00 23.33 H new ATOM 0 HH2 TRP A 43 -13.819 -2.944 21.120 1.00 23.41 H new ATOM 702 N GLN A 44 -7.768 -7.052 23.077 1.00 51.52 N ATOM 703 CA GLN A 44 -6.706 -6.092 22.803 1.00 3.30 C ATOM 704 C GLN A 44 -6.271 -6.188 21.344 1.00 74.45 C ATOM 705 O GLN A 44 -5.966 -5.183 20.704 1.00 32.54 O ATOM 706 CB GLN A 44 -5.513 -6.339 23.728 1.00 73.54 C ATOM 707 CG GLN A 44 -5.864 -6.260 25.207 1.00 4.42 C ATOM 708 CD GLN A 44 -5.448 -4.946 25.839 1.00 41.44 C ATOM 709 OE1 GLN A 44 -4.585 -4.913 26.717 1.00 2.02 O ATOM 710 NE2 GLN A 44 -6.061 -3.855 25.395 1.00 2.33 N ATOM 0 H GLN A 44 -7.619 -7.621 23.910 1.00 51.52 H new ATOM 0 HA GLN A 44 -7.088 -5.088 22.989 1.00 3.30 H new ATOM 0 HB2 GLN A 44 -5.095 -7.323 23.514 1.00 73.54 H new ATOM 0 HB3 GLN A 44 -4.735 -5.608 23.508 1.00 73.54 H new ATOM 0 HG2 GLN A 44 -6.939 -6.392 25.328 1.00 4.42 H new ATOM 0 HG3 GLN A 44 -5.380 -7.082 25.735 1.00 4.42 H new ATOM 0 HE21 GLN A 44 -6.770 -3.930 24.666 1.00 2.33 H new ATOM 0 HE22 GLN A 44 -5.823 -2.942 25.783 1.00 2.33 H new ATOM 719 N HIS A 45 -6.262 -7.412 20.825 1.00 5.13 N ATOM 720 CA HIS A 45 -5.884 -7.655 19.439 1.00 12.51 C ATOM 721 C HIS A 45 -6.958 -7.119 18.494 1.00 52.13 C ATOM 722 O HIS A 45 -6.666 -6.711 17.370 1.00 22.04 O ATOM 723 CB HIS A 45 -5.667 -9.151 19.202 1.00 61.45 C ATOM 724 CG HIS A 45 -5.542 -9.517 17.755 1.00 44.53 C ATOM 725 ND1 HIS A 45 -4.336 -9.784 17.144 1.00 20.33 N ATOM 726 CD2 HIS A 45 -6.484 -9.647 16.793 1.00 31.41 C ATOM 727 CE1 HIS A 45 -4.539 -10.063 15.869 1.00 42.21 C ATOM 728 NE2 HIS A 45 -5.836 -9.987 15.631 1.00 45.21 N ATOM 0 H HIS A 45 -6.513 -8.252 21.346 1.00 5.13 H new ATOM 0 HA HIS A 45 -4.950 -7.131 19.237 1.00 12.51 H new ATOM 0 HB2 HIS A 45 -4.765 -9.466 19.727 1.00 61.45 H new ATOM 0 HB3 HIS A 45 -6.499 -9.704 19.637 1.00 61.45 H new ATOM 0 HD2 HIS A 45 -7.548 -9.509 16.916 1.00 31.41 H new ATOM 0 HE1 HIS A 45 -3.776 -10.311 15.146 1.00 42.21 H new ATOM 0 HE2 HIS A 45 -6.284 -10.154 14.730 1.00 45.21 H new ATOM 736 N LYS A 46 -8.201 -7.117 18.962 1.00 55.53 N ATOM 737 CA LYS A 46 -9.317 -6.621 18.167 1.00 40.11 C ATOM 738 C LYS A 46 -9.449 -5.111 18.328 1.00 73.41 C ATOM 739 O LYS A 46 -9.957 -4.422 17.444 1.00 51.20 O ATOM 740 CB LYS A 46 -10.619 -7.309 18.585 1.00 2.14 C ATOM 741 CG LYS A 46 -11.813 -6.913 17.729 1.00 34.23 C ATOM 742 CD LYS A 46 -11.939 -7.801 16.502 1.00 13.22 C ATOM 743 CE LYS A 46 -13.084 -7.356 15.606 1.00 12.15 C ATOM 744 NZ LYS A 46 -14.369 -8.007 15.984 1.00 74.13 N ATOM 0 H LYS A 46 -8.461 -7.454 19.889 1.00 55.53 H new ATOM 0 HA LYS A 46 -9.123 -6.849 17.119 1.00 40.11 H new ATOM 0 HB2 LYS A 46 -10.484 -8.389 18.530 1.00 2.14 H new ATOM 0 HB3 LYS A 46 -10.831 -7.067 19.626 1.00 2.14 H new ATOM 0 HG2 LYS A 46 -12.725 -6.979 18.322 1.00 34.23 H new ATOM 0 HG3 LYS A 46 -11.710 -5.873 17.418 1.00 34.23 H new ATOM 0 HD2 LYS A 46 -11.006 -7.780 15.939 1.00 13.22 H new ATOM 0 HD3 LYS A 46 -12.100 -8.833 16.814 1.00 13.22 H new ATOM 0 HE2 LYS A 46 -13.194 -6.273 15.667 1.00 12.15 H new ATOM 0 HE3 LYS A 46 -12.847 -7.594 14.569 1.00 12.15 H new ATOM 0 HZ1 LYS A 46 -14.634 -8.701 15.256 1.00 74.13 H new ATOM 0 HZ2 LYS A 46 -14.258 -8.490 16.898 1.00 74.13 H new ATOM 0 HZ3 LYS A 46 -15.114 -7.285 16.062 1.00 74.13 H new ATOM 758 N GLN A 47 -8.977 -4.602 19.463 1.00 52.34 N ATOM 759 CA GLN A 47 -9.027 -3.174 19.744 1.00 41.35 C ATOM 760 C GLN A 47 -8.080 -2.416 18.818 1.00 55.42 C ATOM 761 O GLN A 47 -8.454 -1.410 18.216 1.00 61.23 O ATOM 762 CB GLN A 47 -8.663 -2.912 21.211 1.00 50.34 C ATOM 763 CG GLN A 47 -8.370 -1.452 21.526 1.00 75.45 C ATOM 764 CD GLN A 47 -8.553 -1.120 22.996 1.00 54.04 C ATOM 765 OE1 GLN A 47 -7.658 -0.562 23.631 1.00 60.30 O ATOM 766 NE2 GLN A 47 -9.714 -1.462 23.543 1.00 24.34 N ATOM 0 H GLN A 47 -8.555 -5.161 20.204 1.00 52.34 H new ATOM 0 HA GLN A 47 -10.042 -2.818 19.566 1.00 41.35 H new ATOM 0 HB2 GLN A 47 -9.483 -3.252 21.844 1.00 50.34 H new ATOM 0 HB3 GLN A 47 -7.790 -3.511 21.470 1.00 50.34 H new ATOM 0 HG2 GLN A 47 -7.347 -1.219 21.230 1.00 75.45 H new ATOM 0 HG3 GLN A 47 -9.026 -0.818 20.930 1.00 75.45 H new ATOM 0 HE21 GLN A 47 -10.428 -1.923 22.979 1.00 24.34 H new ATOM 0 HE22 GLN A 47 -9.892 -1.264 24.528 1.00 24.34 H new ATOM 775 N THR A 48 -6.848 -2.906 18.713 1.00 2.31 N ATOM 776 CA THR A 48 -5.844 -2.277 17.865 1.00 41.14 C ATOM 777 C THR A 48 -6.352 -2.109 16.437 1.00 32.32 C ATOM 778 O THR A 48 -6.189 -1.047 15.836 1.00 11.51 O ATOM 779 CB THR A 48 -4.553 -3.098 17.868 1.00 74.14 C ATOM 780 OG1 THR A 48 -3.585 -2.511 17.018 1.00 65.15 O ATOM 781 CG2 THR A 48 -4.754 -4.526 17.418 1.00 22.44 C ATOM 0 H THR A 48 -6.522 -3.738 19.206 1.00 2.31 H new ATOM 0 HA THR A 48 -5.638 -1.287 18.272 1.00 41.14 H new ATOM 0 HB THR A 48 -4.216 -3.105 18.904 1.00 74.14 H new ATOM 0 HG1 THR A 48 -2.766 -3.049 17.034 1.00 65.15 H new ATOM 0 HG21 THR A 48 -3.800 -5.053 17.443 1.00 22.44 H new ATOM 0 HG22 THR A 48 -5.460 -5.021 18.084 1.00 22.44 H new ATOM 0 HG23 THR A 48 -5.147 -4.535 16.401 1.00 22.44 H new ATOM 789 N MET A 49 -6.967 -3.155 15.893 1.00 63.31 N ATOM 790 CA MET A 49 -7.491 -3.099 14.533 1.00 24.21 C ATOM 791 C MET A 49 -8.730 -2.215 14.468 1.00 40.42 C ATOM 792 O MET A 49 -8.887 -1.422 13.541 1.00 5.35 O ATOM 793 CB MET A 49 -7.812 -4.503 14.013 1.00 25.43 C ATOM 794 CG MET A 49 -8.707 -5.317 14.934 1.00 13.45 C ATOM 795 SD MET A 49 -9.381 -6.778 14.122 1.00 74.20 S ATOM 796 CE MET A 49 -7.961 -7.868 14.146 1.00 41.13 C ATOM 0 H MET A 49 -7.114 -4.045 16.369 1.00 63.31 H new ATOM 0 HA MET A 49 -6.722 -2.664 13.895 1.00 24.21 H new ATOM 0 HB2 MET A 49 -8.294 -4.417 13.039 1.00 25.43 H new ATOM 0 HB3 MET A 49 -6.878 -5.044 13.860 1.00 25.43 H new ATOM 0 HG2 MET A 49 -8.138 -5.623 15.812 1.00 13.45 H new ATOM 0 HG3 MET A 49 -9.526 -4.691 15.287 1.00 13.45 H new ATOM 0 HE1 MET A 49 -7.667 -8.105 13.124 1.00 41.13 H new ATOM 0 HE2 MET A 49 -7.133 -7.376 14.657 1.00 41.13 H new ATOM 0 HE3 MET A 49 -8.217 -8.788 14.672 1.00 41.13 H new ATOM 806 N LEU A 50 -9.606 -2.343 15.461 1.00 10.12 N ATOM 807 CA LEU A 50 -10.821 -1.538 15.506 1.00 72.50 C ATOM 808 C LEU A 50 -10.475 -0.055 15.494 1.00 24.05 C ATOM 809 O LEU A 50 -11.234 0.764 14.986 1.00 31.33 O ATOM 810 CB LEU A 50 -11.648 -1.873 16.750 1.00 35.02 C ATOM 811 CG LEU A 50 -12.517 -3.128 16.634 1.00 62.32 C ATOM 812 CD1 LEU A 50 -13.088 -3.508 17.993 1.00 23.33 C ATOM 813 CD2 LEU A 50 -13.636 -2.914 15.625 1.00 64.03 C ATOM 0 H LEU A 50 -9.498 -2.992 16.240 1.00 10.12 H new ATOM 0 HA LEU A 50 -11.415 -1.770 14.622 1.00 72.50 H new ATOM 0 HB2 LEU A 50 -10.971 -1.996 17.595 1.00 35.02 H new ATOM 0 HB3 LEU A 50 -12.292 -1.024 16.978 1.00 35.02 H new ATOM 0 HG LEU A 50 -11.891 -3.948 16.282 1.00 62.32 H new ATOM 0 HD11 LEU A 50 -13.703 -4.402 17.892 1.00 23.33 H new ATOM 0 HD12 LEU A 50 -12.272 -3.705 18.688 1.00 23.33 H new ATOM 0 HD13 LEU A 50 -13.698 -2.689 18.373 1.00 23.33 H new ATOM 0 HD21 LEU A 50 -14.242 -3.817 15.557 1.00 64.03 H new ATOM 0 HD22 LEU A 50 -14.261 -2.081 15.946 1.00 64.03 H new ATOM 0 HD23 LEU A 50 -13.207 -2.690 14.648 1.00 64.03 H new ATOM 825 N ILE A 51 -9.318 0.282 16.050 1.00 21.21 N ATOM 826 CA ILE A 51 -8.868 1.665 16.096 1.00 51.32 C ATOM 827 C ILE A 51 -8.155 2.055 14.805 1.00 51.43 C ATOM 828 O ILE A 51 -8.322 3.168 14.304 1.00 23.00 O ATOM 829 CB ILE A 51 -7.932 1.905 17.301 1.00 73.01 C ATOM 830 CG1 ILE A 51 -8.705 1.700 18.601 1.00 34.51 C ATOM 831 CG2 ILE A 51 -7.321 3.302 17.255 1.00 5.23 C ATOM 832 CD1 ILE A 51 -7.830 1.642 19.833 1.00 32.24 C ATOM 0 H ILE A 51 -8.674 -0.385 16.475 1.00 21.21 H new ATOM 0 HA ILE A 51 -9.754 2.290 16.209 1.00 51.32 H new ATOM 0 HB ILE A 51 -7.114 1.186 17.253 1.00 73.01 H new ATOM 0 HG12 ILE A 51 -9.424 2.511 18.716 1.00 34.51 H new ATOM 0 HG13 ILE A 51 -9.277 0.775 18.530 1.00 34.51 H new ATOM 0 HG21 ILE A 51 -6.667 3.442 18.116 1.00 5.23 H new ATOM 0 HG22 ILE A 51 -6.743 3.416 16.338 1.00 5.23 H new ATOM 0 HG23 ILE A 51 -8.116 4.048 17.278 1.00 5.23 H new ATOM 0 HD11 ILE A 51 -8.453 1.495 20.715 1.00 32.24 H new ATOM 0 HD12 ILE A 51 -7.128 0.813 19.742 1.00 32.24 H new ATOM 0 HD13 ILE A 51 -7.277 2.576 19.931 1.00 32.24 H new ATOM 844 N ASN A 52 -7.360 1.135 14.277 1.00 53.30 N ATOM 845 CA ASN A 52 -6.618 1.383 13.049 1.00 52.52 C ATOM 846 C ASN A 52 -7.535 1.361 11.828 1.00 23.31 C ATOM 847 O ASN A 52 -7.291 2.065 10.849 1.00 63.50 O ATOM 848 CB ASN A 52 -5.508 0.345 12.887 1.00 74.33 C ATOM 849 CG ASN A 52 -4.245 0.729 13.635 1.00 12.23 C ATOM 850 OD1 ASN A 52 -4.087 1.875 14.059 1.00 63.13 O ATOM 851 ND2 ASN A 52 -3.341 -0.228 13.802 1.00 75.53 N ATOM 0 H ASN A 52 -7.212 0.210 14.680 1.00 53.30 H new ATOM 0 HA ASN A 52 -6.176 2.377 13.120 1.00 52.52 H new ATOM 0 HB2 ASN A 52 -5.862 -0.621 13.248 1.00 74.33 H new ATOM 0 HB3 ASN A 52 -5.278 0.225 11.828 1.00 74.33 H new ATOM 0 HD21 ASN A 52 -2.473 -0.028 14.299 1.00 75.53 H new ATOM 0 HD22 ASN A 52 -3.514 -1.163 13.434 1.00 75.53 H new ATOM 858 N GLU A 53 -8.585 0.545 11.886 1.00 22.35 N ATOM 859 CA GLU A 53 -9.526 0.438 10.773 1.00 2.12 C ATOM 860 C GLU A 53 -10.612 1.507 10.857 1.00 0.01 C ATOM 861 O GLU A 53 -10.818 2.264 9.909 1.00 44.44 O ATOM 862 CB GLU A 53 -10.158 -0.956 10.738 1.00 54.44 C ATOM 863 CG GLU A 53 -9.971 -1.672 9.409 1.00 72.53 C ATOM 864 CD GLU A 53 -8.994 -2.826 9.498 1.00 60.14 C ATOM 865 OE1 GLU A 53 -8.883 -3.430 10.586 1.00 3.25 O ATOM 866 OE2 GLU A 53 -8.337 -3.127 8.479 1.00 64.12 O ATOM 0 H GLU A 53 -8.805 -0.048 12.686 1.00 22.35 H new ATOM 0 HA GLU A 53 -8.968 0.597 9.851 1.00 2.12 H new ATOM 0 HB2 GLU A 53 -9.725 -1.563 11.533 1.00 54.44 H new ATOM 0 HB3 GLU A 53 -11.224 -0.869 10.948 1.00 54.44 H new ATOM 0 HG2 GLU A 53 -10.935 -2.044 9.063 1.00 72.53 H new ATOM 0 HG3 GLU A 53 -9.618 -0.959 8.664 1.00 72.53 H new ATOM 873 N LYS A 54 -11.304 1.574 11.995 1.00 2.21 N ATOM 874 CA LYS A 54 -12.361 2.567 12.178 1.00 51.31 C ATOM 875 C LYS A 54 -11.774 3.968 12.320 1.00 13.10 C ATOM 876 O LYS A 54 -12.505 4.959 12.324 1.00 20.24 O ATOM 877 CB LYS A 54 -13.216 2.240 13.405 1.00 24.31 C ATOM 878 CG LYS A 54 -14.245 1.149 13.161 1.00 71.11 C ATOM 879 CD LYS A 54 -13.691 -0.228 13.486 1.00 44.52 C ATOM 880 CE LYS A 54 -14.329 -1.302 12.620 1.00 52.22 C ATOM 881 NZ LYS A 54 -13.320 -2.259 12.088 1.00 54.31 N ATOM 0 H LYS A 54 -11.154 0.960 12.795 1.00 2.21 H new ATOM 0 HA LYS A 54 -12.994 2.538 11.291 1.00 51.31 H new ATOM 0 HB2 LYS A 54 -12.562 1.934 14.221 1.00 24.31 H new ATOM 0 HB3 LYS A 54 -13.729 3.145 13.730 1.00 24.31 H new ATOM 0 HG2 LYS A 54 -15.129 1.339 13.770 1.00 71.11 H new ATOM 0 HG3 LYS A 54 -14.564 1.176 12.119 1.00 71.11 H new ATOM 0 HD2 LYS A 54 -12.611 -0.232 13.336 1.00 44.52 H new ATOM 0 HD3 LYS A 54 -13.868 -0.454 14.538 1.00 44.52 H new ATOM 0 HE2 LYS A 54 -15.072 -1.845 13.204 1.00 52.22 H new ATOM 0 HE3 LYS A 54 -14.857 -0.833 11.790 1.00 52.22 H new ATOM 0 HZ1 LYS A 54 -13.077 -2.000 11.111 1.00 54.31 H new ATOM 0 HZ2 LYS A 54 -12.464 -2.225 12.678 1.00 54.31 H new ATOM 0 HZ3 LYS A 54 -13.713 -3.222 12.103 1.00 54.31 H new ATOM 895 N LYS A 55 -10.448 4.049 12.439 1.00 43.42 N ATOM 896 CA LYS A 55 -9.764 5.328 12.584 1.00 74.11 C ATOM 897 C LYS A 55 -10.095 5.974 13.925 1.00 31.21 C ATOM 898 O LYS A 55 -10.607 7.092 13.978 1.00 5.25 O ATOM 899 CB LYS A 55 -10.137 6.271 11.435 1.00 72.23 C ATOM 900 CG LYS A 55 -9.856 5.693 10.057 1.00 12.00 C ATOM 901 CD LYS A 55 -8.362 5.579 9.794 1.00 1.15 C ATOM 902 CE LYS A 55 -7.912 6.524 8.691 1.00 24.22 C ATOM 903 NZ LYS A 55 -6.461 6.844 8.790 1.00 61.25 N ATOM 0 H LYS A 55 -9.828 3.239 12.437 1.00 43.42 H new ATOM 0 HA LYS A 55 -8.691 5.142 12.549 1.00 74.11 H new ATOM 0 HB2 LYS A 55 -11.196 6.517 11.507 1.00 72.23 H new ATOM 0 HB3 LYS A 55 -9.585 7.204 11.548 1.00 72.23 H new ATOM 0 HG2 LYS A 55 -10.317 4.709 9.973 1.00 12.00 H new ATOM 0 HG3 LYS A 55 -10.313 6.325 9.296 1.00 12.00 H new ATOM 0 HD2 LYS A 55 -7.813 5.800 10.709 1.00 1.15 H new ATOM 0 HD3 LYS A 55 -8.118 4.553 9.517 1.00 1.15 H new ATOM 0 HE2 LYS A 55 -8.119 6.073 7.720 1.00 24.22 H new ATOM 0 HE3 LYS A 55 -8.491 7.446 8.744 1.00 24.22 H new ATOM 0 HZ1 LYS A 55 -6.195 7.491 8.020 1.00 61.25 H new ATOM 0 HZ2 LYS A 55 -6.267 7.297 9.706 1.00 61.25 H new ATOM 0 HZ3 LYS A 55 -5.906 5.968 8.713 1.00 61.25 H new ATOM 917 N LEU A 56 -9.787 5.268 15.010 1.00 30.41 N ATOM 918 CA LEU A 56 -10.038 5.778 16.349 1.00 52.41 C ATOM 919 C LEU A 56 -8.776 6.420 16.918 1.00 51.14 C ATOM 920 O LEU A 56 -7.781 6.579 16.210 1.00 44.51 O ATOM 921 CB LEU A 56 -10.519 4.646 17.261 1.00 75.54 C ATOM 922 CG LEU A 56 -11.879 4.054 16.884 1.00 34.35 C ATOM 923 CD1 LEU A 56 -12.280 2.965 17.864 1.00 32.03 C ATOM 924 CD2 LEU A 56 -12.937 5.147 16.834 1.00 14.14 C ATOM 0 H LEU A 56 -9.363 4.341 14.985 1.00 30.41 H new ATOM 0 HA LEU A 56 -10.817 6.538 16.294 1.00 52.41 H new ATOM 0 HB2 LEU A 56 -9.776 3.849 17.251 1.00 75.54 H new ATOM 0 HB3 LEU A 56 -10.572 5.019 18.284 1.00 75.54 H new ATOM 0 HG LEU A 56 -11.798 3.606 15.893 1.00 34.35 H new ATOM 0 HD11 LEU A 56 -13.250 2.557 17.578 1.00 32.03 H new ATOM 0 HD12 LEU A 56 -11.534 2.170 17.850 1.00 32.03 H new ATOM 0 HD13 LEU A 56 -12.345 3.385 18.868 1.00 32.03 H new ATOM 0 HD21 LEU A 56 -13.899 4.710 16.565 1.00 14.14 H new ATOM 0 HD22 LEU A 56 -13.015 5.622 17.812 1.00 14.14 H new ATOM 0 HD23 LEU A 56 -12.656 5.892 16.090 1.00 14.14 H new ATOM 936 N ASN A 57 -8.816 6.787 18.192 1.00 32.03 N ATOM 937 CA ASN A 57 -7.673 7.409 18.846 1.00 20.43 C ATOM 938 C ASN A 57 -7.741 7.205 20.355 1.00 1.23 C ATOM 939 O ASN A 57 -8.715 7.593 21.002 1.00 1.02 O ATOM 940 CB ASN A 57 -7.622 8.904 18.520 1.00 15.31 C ATOM 941 CG ASN A 57 -6.228 9.367 18.149 1.00 61.42 C ATOM 942 OD1 ASN A 57 -5.509 8.690 17.413 1.00 54.21 O ATOM 943 ND2 ASN A 57 -5.837 10.529 18.659 1.00 70.12 N ATOM 0 H ASN A 57 -9.630 6.664 18.794 1.00 32.03 H new ATOM 0 HA ASN A 57 -6.765 6.935 18.472 1.00 20.43 H new ATOM 0 HB2 ASN A 57 -8.304 9.117 17.697 1.00 15.31 H new ATOM 0 HB3 ASN A 57 -7.974 9.473 19.381 1.00 15.31 H new ATOM 0 HD21 ASN A 57 -4.909 10.893 18.445 1.00 70.12 H new ATOM 0 HD22 ASN A 57 -6.465 11.057 19.264 1.00 70.12 H new ATOM 950 N MET A 58 -6.703 6.589 20.909 1.00 5.10 N ATOM 951 CA MET A 58 -6.648 6.328 22.345 1.00 4.22 C ATOM 952 C MET A 58 -6.456 7.617 23.140 1.00 4.32 C ATOM 953 O MET A 58 -6.637 7.636 24.356 1.00 31.45 O ATOM 954 CB MET A 58 -5.527 5.333 22.679 1.00 30.22 C ATOM 955 CG MET A 58 -4.267 5.505 21.842 1.00 34.55 C ATOM 956 SD MET A 58 -3.987 4.130 20.706 1.00 24.45 S ATOM 957 CE MET A 58 -5.583 4.012 19.898 1.00 24.34 C ATOM 0 H MET A 58 -5.889 6.261 20.388 1.00 5.10 H new ATOM 0 HA MET A 58 -7.604 5.890 22.631 1.00 4.22 H new ATOM 0 HB2 MET A 58 -5.267 5.437 23.732 1.00 30.22 H new ATOM 0 HB3 MET A 58 -5.904 4.319 22.543 1.00 30.22 H new ATOM 0 HG2 MET A 58 -4.339 6.432 21.273 1.00 34.55 H new ATOM 0 HG3 MET A 58 -3.407 5.604 22.505 1.00 34.55 H new ATOM 0 HE1 MET A 58 -5.603 3.129 19.259 1.00 24.34 H new ATOM 0 HE2 MET A 58 -6.367 3.933 20.651 1.00 24.34 H new ATOM 0 HE3 MET A 58 -5.751 4.902 19.292 1.00 24.34 H new ATOM 967 N MET A 59 -6.102 8.697 22.450 1.00 1.01 N ATOM 968 CA MET A 59 -5.904 9.983 23.106 1.00 74.53 C ATOM 969 C MET A 59 -7.226 10.737 23.210 1.00 71.54 C ATOM 970 O MET A 59 -7.418 11.558 24.106 1.00 44.32 O ATOM 971 CB MET A 59 -4.878 10.821 22.340 1.00 2.02 C ATOM 972 CG MET A 59 -3.482 10.771 22.940 1.00 24.22 C ATOM 973 SD MET A 59 -2.471 9.457 22.233 1.00 11.43 S ATOM 974 CE MET A 59 -0.835 9.978 22.741 1.00 3.04 C ATOM 0 H MET A 59 -5.947 8.707 21.442 1.00 1.01 H new ATOM 0 HA MET A 59 -5.526 9.801 24.112 1.00 74.53 H new ATOM 0 HB2 MET A 59 -4.834 10.472 21.308 1.00 2.02 H new ATOM 0 HB3 MET A 59 -5.216 11.857 22.312 1.00 2.02 H new ATOM 0 HG2 MET A 59 -2.988 11.730 22.782 1.00 24.22 H new ATOM 0 HG3 MET A 59 -3.559 10.626 24.018 1.00 24.22 H new ATOM 0 HE1 MET A 59 -0.096 9.263 22.378 1.00 3.04 H new ATOM 0 HE2 MET A 59 -0.622 10.963 22.326 1.00 3.04 H new ATOM 0 HE3 MET A 59 -0.790 10.025 23.829 1.00 3.04 H new ATOM 984 N ASN A 60 -8.139 10.445 22.287 1.00 72.24 N ATOM 985 CA ASN A 60 -9.449 11.086 22.270 1.00 13.25 C ATOM 986 C ASN A 60 -10.451 10.286 23.096 1.00 2.34 C ATOM 987 O ASN A 60 -10.815 9.169 22.731 1.00 73.54 O ATOM 988 CB ASN A 60 -9.950 11.221 20.830 1.00 54.23 C ATOM 989 CG ASN A 60 -10.687 12.524 20.591 1.00 60.15 C ATOM 990 OD1 ASN A 60 -10.220 13.595 20.981 1.00 45.25 O ATOM 991 ND2 ASN A 60 -11.844 12.439 19.945 1.00 43.22 N ATOM 0 H ASN A 60 -7.994 9.766 21.539 1.00 72.24 H new ATOM 0 HA ASN A 60 -9.351 12.079 22.709 1.00 13.25 H new ATOM 0 HB2 ASN A 60 -9.103 11.156 20.147 1.00 54.23 H new ATOM 0 HB3 ASN A 60 -10.611 10.386 20.599 1.00 54.23 H new ATOM 0 HD21 ASN A 60 -12.384 13.283 19.753 1.00 43.22 H new ATOM 0 HD22 ASN A 60 -12.192 11.530 19.640 1.00 43.22 H new ATOM 998 N ALA A 61 -10.890 10.861 24.211 1.00 10.14 N ATOM 999 CA ALA A 61 -11.848 10.197 25.088 1.00 75.00 C ATOM 1000 C ALA A 61 -13.086 9.745 24.317 1.00 54.22 C ATOM 1001 O ALA A 61 -13.728 8.758 24.678 1.00 53.14 O ATOM 1002 CB ALA A 61 -12.243 11.119 26.233 1.00 34.33 C ATOM 0 H ALA A 61 -10.598 11.785 24.529 1.00 10.14 H new ATOM 0 HA ALA A 61 -11.368 9.309 25.499 1.00 75.00 H new ATOM 0 HB1 ALA A 61 -12.958 10.610 26.879 1.00 34.33 H new ATOM 0 HB2 ALA A 61 -11.357 11.383 26.810 1.00 34.33 H new ATOM 0 HB3 ALA A 61 -12.697 12.024 25.831 1.00 34.33 H new ATOM 1008 N GLU A 62 -13.412 10.473 23.253 1.00 55.43 N ATOM 1009 CA GLU A 62 -14.570 10.147 22.429 1.00 72.21 C ATOM 1010 C GLU A 62 -14.396 8.789 21.763 1.00 14.54 C ATOM 1011 O GLU A 62 -15.353 8.027 21.621 1.00 50.50 O ATOM 1012 CB GLU A 62 -14.782 11.221 21.362 1.00 2.31 C ATOM 1013 CG GLU A 62 -16.146 11.152 20.700 1.00 22.12 C ATOM 1014 CD GLU A 62 -17.274 11.468 21.660 1.00 43.31 C ATOM 1015 OE1 GLU A 62 -17.685 10.561 22.415 1.00 1.12 O ATOM 1016 OE2 GLU A 62 -17.745 12.622 21.657 1.00 50.21 O ATOM 0 H GLU A 62 -12.890 11.292 22.942 1.00 55.43 H new ATOM 0 HA GLU A 62 -15.445 10.108 23.077 1.00 72.21 H new ATOM 0 HB2 GLU A 62 -14.656 12.204 21.816 1.00 2.31 H new ATOM 0 HB3 GLU A 62 -14.010 11.122 20.599 1.00 2.31 H new ATOM 0 HG2 GLU A 62 -16.177 11.852 19.865 1.00 22.12 H new ATOM 0 HG3 GLU A 62 -16.295 10.155 20.285 1.00 22.12 H new ATOM 1023 N HIS A 63 -13.168 8.492 21.359 1.00 50.11 N ATOM 1024 CA HIS A 63 -12.864 7.225 20.711 1.00 60.41 C ATOM 1025 C HIS A 63 -12.589 6.141 21.745 1.00 12.50 C ATOM 1026 O HIS A 63 -12.922 4.975 21.541 1.00 40.22 O ATOM 1027 CB HIS A 63 -11.658 7.377 19.788 1.00 24.44 C ATOM 1028 CG HIS A 63 -11.960 8.117 18.521 1.00 10.20 C ATOM 1029 ND1 HIS A 63 -10.994 8.446 17.593 1.00 53.10 N ATOM 1030 CD2 HIS A 63 -13.129 8.589 18.025 1.00 33.45 C ATOM 1031 CE1 HIS A 63 -11.553 9.090 16.584 1.00 31.32 C ATOM 1032 NE2 HIS A 63 -12.848 9.189 16.821 1.00 33.54 N ATOM 0 H HIS A 63 -12.366 9.113 21.469 1.00 50.11 H new ATOM 0 HA HIS A 63 -13.731 6.931 20.120 1.00 60.41 H new ATOM 0 HB2 HIS A 63 -10.865 7.899 20.323 1.00 24.44 H new ATOM 0 HB3 HIS A 63 -11.276 6.387 19.538 1.00 24.44 H new ATOM 0 HD2 HIS A 63 -14.101 8.509 18.489 1.00 33.45 H new ATOM 0 HE1 HIS A 63 -11.039 9.470 15.714 1.00 31.32 H new ATOM 0 HE2 HIS A 63 -13.530 9.638 16.209 1.00 33.54 H new ATOM 1040 N ARG A 64 -11.978 6.535 22.858 1.00 13.31 N ATOM 1041 CA ARG A 64 -11.657 5.598 23.927 1.00 25.03 C ATOM 1042 C ARG A 64 -12.895 4.819 24.355 1.00 71.40 C ATOM 1043 O ARG A 64 -12.852 3.599 24.515 1.00 61.24 O ATOM 1044 CB ARG A 64 -11.073 6.342 25.128 1.00 40.44 C ATOM 1045 CG ARG A 64 -9.991 5.563 25.858 1.00 33.11 C ATOM 1046 CD ARG A 64 -8.735 5.436 25.012 1.00 61.24 C ATOM 1047 NE ARG A 64 -8.061 4.153 25.217 1.00 14.00 N ATOM 1048 CZ ARG A 64 -7.849 3.254 24.256 1.00 25.11 C ATOM 1049 NH1 ARG A 64 -8.270 3.473 23.015 1.00 63.42 N ATOM 1050 NH2 ARG A 64 -7.210 2.126 24.540 1.00 33.54 N ATOM 0 H ARG A 64 -11.695 7.498 23.042 1.00 13.31 H new ATOM 0 HA ARG A 64 -10.916 4.894 23.548 1.00 25.03 H new ATOM 0 HB2 ARG A 64 -10.660 7.292 24.790 1.00 40.44 H new ATOM 0 HB3 ARG A 64 -11.876 6.574 25.827 1.00 40.44 H new ATOM 0 HG2 ARG A 64 -9.751 6.063 26.796 1.00 33.11 H new ATOM 0 HG3 ARG A 64 -10.363 4.570 26.112 1.00 33.11 H new ATOM 0 HD2 ARG A 64 -8.995 5.544 23.959 1.00 61.24 H new ATOM 0 HD3 ARG A 64 -8.050 6.248 25.256 1.00 61.24 H new ATOM 0 HE ARG A 64 -7.732 3.932 26.157 1.00 14.00 H new ATOM 0 HH11 ARG A 64 -8.762 4.337 22.788 1.00 63.42 H new ATOM 0 HH12 ARG A 64 -8.101 2.777 22.289 1.00 63.42 H new ATOM 0 HH21 ARG A 64 -6.884 1.950 25.490 1.00 33.54 H new ATOM 0 HH22 ARG A 64 -7.045 1.435 23.808 1.00 33.54 H new ATOM 1064 N LYS A 65 -14.001 5.534 24.538 1.00 13.21 N ATOM 1065 CA LYS A 65 -15.253 4.911 24.951 1.00 31.33 C ATOM 1066 C LYS A 65 -15.810 4.025 23.842 1.00 61.24 C ATOM 1067 O LYS A 65 -16.508 3.047 24.112 1.00 33.24 O ATOM 1068 CB LYS A 65 -16.281 5.975 25.345 1.00 52.43 C ATOM 1069 CG LYS A 65 -16.764 6.830 24.184 1.00 2.34 C ATOM 1070 CD LYS A 65 -18.235 7.193 24.333 1.00 51.14 C ATOM 1071 CE LYS A 65 -19.056 6.690 23.156 1.00 42.14 C ATOM 1072 NZ LYS A 65 -19.132 7.695 22.061 1.00 60.30 N ATOM 0 H LYS A 65 -14.055 6.544 24.407 1.00 13.21 H new ATOM 0 HA LYS A 65 -15.047 4.286 25.820 1.00 31.33 H new ATOM 0 HB2 LYS A 65 -17.140 5.484 25.803 1.00 52.43 H new ATOM 0 HB3 LYS A 65 -15.844 6.624 26.103 1.00 52.43 H new ATOM 0 HG2 LYS A 65 -16.167 7.740 24.128 1.00 2.34 H new ATOM 0 HG3 LYS A 65 -16.614 6.293 23.248 1.00 2.34 H new ATOM 0 HD2 LYS A 65 -18.624 6.767 25.258 1.00 51.14 H new ATOM 0 HD3 LYS A 65 -18.337 8.275 24.413 1.00 51.14 H new ATOM 0 HE2 LYS A 65 -18.615 5.769 22.773 1.00 42.14 H new ATOM 0 HE3 LYS A 65 -20.063 6.445 23.494 1.00 42.14 H new ATOM 0 HZ1 LYS A 65 -20.128 7.924 21.868 1.00 60.30 H new ATOM 0 HZ2 LYS A 65 -18.628 8.559 22.347 1.00 60.30 H new ATOM 0 HZ3 LYS A 65 -18.693 7.306 21.202 1.00 60.30 H new ATOM 1086 N LEU A 66 -15.494 4.362 22.593 1.00 15.23 N ATOM 1087 CA LEU A 66 -15.968 3.578 21.457 1.00 65.44 C ATOM 1088 C LEU A 66 -15.578 2.116 21.627 1.00 64.34 C ATOM 1089 O LEU A 66 -16.405 1.220 21.456 1.00 43.34 O ATOM 1090 CB LEU A 66 -15.415 4.125 20.142 1.00 3.13 C ATOM 1091 CG LEU A 66 -16.354 3.965 18.939 1.00 44.22 C ATOM 1092 CD1 LEU A 66 -16.708 5.321 18.343 1.00 44.03 C ATOM 1093 CD2 LEU A 66 -15.732 3.057 17.884 1.00 64.02 C ATOM 0 H LEU A 66 -14.917 5.165 22.344 1.00 15.23 H new ATOM 0 HA LEU A 66 -17.055 3.653 21.423 1.00 65.44 H new ATOM 0 HB2 LEU A 66 -15.188 5.183 20.271 1.00 3.13 H new ATOM 0 HB3 LEU A 66 -14.474 3.621 19.921 1.00 3.13 H new ATOM 0 HG LEU A 66 -17.275 3.498 19.289 1.00 44.22 H new ATOM 0 HD11 LEU A 66 -17.374 5.182 17.492 1.00 44.03 H new ATOM 0 HD12 LEU A 66 -17.205 5.931 19.097 1.00 44.03 H new ATOM 0 HD13 LEU A 66 -15.798 5.822 18.013 1.00 44.03 H new ATOM 0 HD21 LEU A 66 -16.415 2.958 17.041 1.00 64.02 H new ATOM 0 HD22 LEU A 66 -14.792 3.489 17.541 1.00 64.02 H new ATOM 0 HD23 LEU A 66 -15.543 2.074 18.315 1.00 64.02 H new ATOM 1105 N LEU A 67 -14.319 1.876 21.989 1.00 63.34 N ATOM 1106 CA LEU A 67 -13.843 0.515 22.208 1.00 22.20 C ATOM 1107 C LEU A 67 -14.681 -0.144 23.289 1.00 1.33 C ATOM 1108 O LEU A 67 -15.163 -1.262 23.128 1.00 4.11 O ATOM 1109 CB LEU A 67 -12.371 0.514 22.619 1.00 1.32 C ATOM 1110 CG LEU A 67 -11.389 0.306 21.471 1.00 21.52 C ATOM 1111 CD1 LEU A 67 -11.616 -1.046 20.808 1.00 44.30 C ATOM 1112 CD2 LEU A 67 -11.537 1.425 20.460 1.00 25.32 C ATOM 0 H LEU A 67 -13.617 2.601 22.135 1.00 63.34 H new ATOM 0 HA LEU A 67 -13.938 -0.044 21.277 1.00 22.20 H new ATOM 0 HB2 LEU A 67 -12.143 1.462 23.107 1.00 1.32 H new ATOM 0 HB3 LEU A 67 -12.215 -0.271 23.359 1.00 1.32 H new ATOM 0 HG LEU A 67 -10.375 0.321 21.869 1.00 21.52 H new ATOM 0 HD11 LEU A 67 -10.905 -1.175 19.992 1.00 44.30 H new ATOM 0 HD12 LEU A 67 -11.474 -1.839 21.542 1.00 44.30 H new ATOM 0 HD13 LEU A 67 -12.632 -1.093 20.416 1.00 44.30 H new ATOM 0 HD21 LEU A 67 -10.833 1.272 19.642 1.00 25.32 H new ATOM 0 HD22 LEU A 67 -12.554 1.429 20.068 1.00 25.32 H new ATOM 0 HD23 LEU A 67 -11.330 2.381 20.942 1.00 25.32 H new ATOM 1124 N GLU A 68 -14.871 0.585 24.384 1.00 45.01 N ATOM 1125 CA GLU A 68 -15.677 0.111 25.497 1.00 31.11 C ATOM 1126 C GLU A 68 -17.047 -0.348 24.999 1.00 33.44 C ATOM 1127 O GLU A 68 -17.719 -1.159 25.637 1.00 63.34 O ATOM 1128 CB GLU A 68 -15.826 1.232 26.530 1.00 31.53 C ATOM 1129 CG GLU A 68 -16.554 0.821 27.790 1.00 52.31 C ATOM 1130 CD GLU A 68 -17.526 1.879 28.276 1.00 75.24 C ATOM 1131 OE1 GLU A 68 -18.550 2.102 27.597 1.00 41.25 O ATOM 1132 OE2 GLU A 68 -17.262 2.482 29.337 1.00 60.33 O ATOM 0 H GLU A 68 -14.473 1.514 24.522 1.00 45.01 H new ATOM 0 HA GLU A 68 -15.183 -0.740 25.966 1.00 31.11 H new ATOM 0 HB2 GLU A 68 -14.835 1.597 26.799 1.00 31.53 H new ATOM 0 HB3 GLU A 68 -16.359 2.065 26.071 1.00 31.53 H new ATOM 0 HG2 GLU A 68 -17.096 -0.107 27.606 1.00 52.31 H new ATOM 0 HG3 GLU A 68 -15.826 0.615 28.574 1.00 52.31 H new ATOM 1139 N GLN A 69 -17.448 0.183 23.844 1.00 45.54 N ATOM 1140 CA GLN A 69 -18.726 -0.155 23.231 1.00 31.33 C ATOM 1141 C GLN A 69 -18.643 -1.474 22.464 1.00 54.04 C ATOM 1142 O GLN A 69 -19.480 -2.360 22.646 1.00 73.31 O ATOM 1143 CB GLN A 69 -19.160 0.967 22.283 1.00 42.43 C ATOM 1144 CG GLN A 69 -20.643 0.939 21.950 1.00 52.05 C ATOM 1145 CD GLN A 69 -21.483 1.706 22.954 1.00 70.01 C ATOM 1146 OE1 GLN A 69 -21.908 2.832 22.694 1.00 75.11 O ATOM 1147 NE2 GLN A 69 -21.727 1.098 24.109 1.00 70.13 N ATOM 0 H GLN A 69 -16.897 0.856 23.312 1.00 45.54 H new ATOM 0 HA GLN A 69 -19.462 -0.270 24.027 1.00 31.33 H new ATOM 0 HB2 GLN A 69 -18.915 1.928 22.734 1.00 42.43 H new ATOM 0 HB3 GLN A 69 -18.587 0.893 21.359 1.00 42.43 H new ATOM 0 HG2 GLN A 69 -20.796 1.361 20.957 1.00 52.05 H new ATOM 0 HG3 GLN A 69 -20.983 -0.096 21.913 1.00 52.05 H new ATOM 0 HE21 GLN A 69 -21.355 0.164 24.282 1.00 70.13 H new ATOM 0 HE22 GLN A 69 -22.287 1.565 24.823 1.00 70.13 H new ATOM 1156 N GLU A 70 -17.637 -1.598 21.601 1.00 3.11 N ATOM 1157 CA GLU A 70 -17.459 -2.807 20.802 1.00 33.15 C ATOM 1158 C GLU A 70 -16.935 -3.950 21.659 1.00 4.01 C ATOM 1159 O GLU A 70 -17.224 -5.118 21.398 1.00 44.01 O ATOM 1160 CB GLU A 70 -16.498 -2.542 19.640 1.00 60.04 C ATOM 1161 CG GLU A 70 -16.838 -1.296 18.836 1.00 12.23 C ATOM 1162 CD GLU A 70 -17.329 -1.621 17.439 1.00 62.35 C ATOM 1163 OE1 GLU A 70 -18.516 -1.989 17.298 1.00 42.42 O ATOM 1164 OE2 GLU A 70 -16.529 -1.508 16.487 1.00 22.20 O ATOM 0 H GLU A 70 -16.934 -0.877 21.438 1.00 3.11 H new ATOM 0 HA GLU A 70 -18.431 -3.093 20.400 1.00 33.15 H new ATOM 0 HB2 GLU A 70 -15.486 -2.445 20.032 1.00 60.04 H new ATOM 0 HB3 GLU A 70 -16.501 -3.405 18.974 1.00 60.04 H new ATOM 0 HG2 GLU A 70 -17.603 -0.726 19.363 1.00 12.23 H new ATOM 0 HG3 GLU A 70 -15.956 -0.659 18.768 1.00 12.23 H new ATOM 1171 N MET A 71 -16.159 -3.610 22.681 1.00 72.11 N ATOM 1172 CA MET A 71 -15.592 -4.614 23.571 1.00 42.11 C ATOM 1173 C MET A 71 -16.670 -5.562 24.088 1.00 0.22 C ATOM 1174 O MET A 71 -16.518 -6.779 24.016 1.00 15.12 O ATOM 1175 CB MET A 71 -14.840 -3.935 24.727 1.00 44.14 C ATOM 1176 CG MET A 71 -15.415 -4.193 26.113 1.00 2.34 C ATOM 1177 SD MET A 71 -14.185 -3.977 27.408 1.00 23.31 S ATOM 1178 CE MET A 71 -13.585 -2.329 27.038 1.00 23.35 C ATOM 0 H MET A 71 -15.909 -2.649 22.913 1.00 72.11 H new ATOM 0 HA MET A 71 -14.878 -5.214 23.006 1.00 42.11 H new ATOM 0 HB2 MET A 71 -13.803 -4.272 24.713 1.00 44.14 H new ATOM 0 HB3 MET A 71 -14.828 -2.860 24.550 1.00 44.14 H new ATOM 0 HG2 MET A 71 -16.250 -3.515 26.290 1.00 2.34 H new ATOM 0 HG3 MET A 71 -15.813 -5.207 26.157 1.00 2.34 H new ATOM 0 HE1 MET A 71 -12.616 -2.179 27.514 1.00 23.35 H new ATOM 0 HE2 MET A 71 -13.482 -2.213 25.959 1.00 23.35 H new ATOM 0 HE3 MET A 71 -14.292 -1.591 27.416 1.00 23.35 H new ATOM 1188 N VAL A 72 -17.759 -5.004 24.607 1.00 73.42 N ATOM 1189 CA VAL A 72 -18.849 -5.821 25.127 1.00 11.44 C ATOM 1190 C VAL A 72 -19.266 -6.861 24.099 1.00 55.10 C ATOM 1191 O VAL A 72 -19.220 -8.061 24.359 1.00 31.33 O ATOM 1192 CB VAL A 72 -20.077 -4.967 25.511 1.00 43.11 C ATOM 1193 CG1 VAL A 72 -21.207 -5.839 26.047 1.00 1.44 C ATOM 1194 CG2 VAL A 72 -19.690 -3.907 26.531 1.00 54.21 C ATOM 0 H VAL A 72 -17.910 -3.998 24.678 1.00 73.42 H new ATOM 0 HA VAL A 72 -18.480 -6.314 26.026 1.00 11.44 H new ATOM 0 HB VAL A 72 -20.436 -4.469 24.611 1.00 43.11 H new ATOM 0 HG11 VAL A 72 -22.058 -5.211 26.309 1.00 1.44 H new ATOM 0 HG12 VAL A 72 -21.507 -6.556 25.283 1.00 1.44 H new ATOM 0 HG13 VAL A 72 -20.865 -6.374 26.933 1.00 1.44 H new ATOM 0 HG21 VAL A 72 -20.567 -3.314 26.790 1.00 54.21 H new ATOM 0 HG22 VAL A 72 -19.300 -4.390 27.427 1.00 54.21 H new ATOM 0 HG23 VAL A 72 -18.925 -3.256 26.107 1.00 54.21 H new ATOM 1204 N ASN A 73 -19.657 -6.390 22.922 1.00 64.34 N ATOM 1205 CA ASN A 73 -20.070 -7.278 21.844 1.00 33.53 C ATOM 1206 C ASN A 73 -19.015 -8.354 21.582 1.00 45.13 C ATOM 1207 O ASN A 73 -19.313 -9.398 21.004 1.00 11.01 O ATOM 1208 CB ASN A 73 -20.321 -6.475 20.566 1.00 64.34 C ATOM 1209 CG ASN A 73 -20.885 -7.328 19.449 1.00 32.25 C ATOM 1210 OD1 ASN A 73 -22.023 -7.793 19.522 1.00 4.54 O ATOM 1211 ND2 ASN A 73 -20.089 -7.543 18.409 1.00 43.31 N ATOM 0 H ASN A 73 -19.697 -5.398 22.690 1.00 64.34 H new ATOM 0 HA ASN A 73 -20.994 -7.770 22.148 1.00 33.53 H new ATOM 0 HB2 ASN A 73 -21.012 -5.661 20.782 1.00 64.34 H new ATOM 0 HB3 ASN A 73 -19.387 -6.021 20.236 1.00 64.34 H new ATOM 0 HD21 ASN A 73 -20.413 -8.113 17.628 1.00 43.31 H new ATOM 0 HD22 ASN A 73 -19.153 -7.138 18.391 1.00 43.31 H new ATOM 1218 N PHE A 74 -17.779 -8.087 22.001 1.00 74.22 N ATOM 1219 CA PHE A 74 -16.685 -9.030 21.797 1.00 43.41 C ATOM 1220 C PHE A 74 -16.471 -9.930 23.013 1.00 53.44 C ATOM 1221 O PHE A 74 -16.391 -11.152 22.882 1.00 24.31 O ATOM 1222 CB PHE A 74 -15.392 -8.276 21.483 1.00 54.04 C ATOM 1223 CG PHE A 74 -14.345 -9.132 20.829 1.00 3.15 C ATOM 1224 CD1 PHE A 74 -13.440 -9.850 21.595 1.00 23.30 C ATOM 1225 CD2 PHE A 74 -14.269 -9.219 19.448 1.00 73.25 C ATOM 1226 CE1 PHE A 74 -12.478 -10.639 20.994 1.00 1.20 C ATOM 1227 CE2 PHE A 74 -13.307 -10.006 18.844 1.00 32.35 C ATOM 1228 CZ PHE A 74 -12.411 -10.718 19.617 1.00 14.42 C ATOM 0 H PHE A 74 -17.512 -7.228 22.482 1.00 74.22 H new ATOM 0 HA PHE A 74 -16.957 -9.665 20.954 1.00 43.41 H new ATOM 0 HB2 PHE A 74 -15.621 -7.433 20.831 1.00 54.04 H new ATOM 0 HB3 PHE A 74 -14.988 -7.863 22.407 1.00 54.04 H new ATOM 0 HD1 PHE A 74 -13.487 -9.792 22.672 1.00 23.30 H new ATOM 0 HD2 PHE A 74 -14.968 -8.666 18.838 1.00 73.25 H new ATOM 0 HE1 PHE A 74 -11.778 -11.194 21.601 1.00 1.20 H new ATOM 0 HE2 PHE A 74 -13.256 -10.064 17.767 1.00 32.35 H new ATOM 0 HZ PHE A 74 -11.660 -11.335 19.146 1.00 14.42 H new ATOM 1238 N LEU A 75 -16.350 -9.322 24.190 1.00 52.12 N ATOM 1239 CA LEU A 75 -16.113 -10.076 25.417 1.00 13.42 C ATOM 1240 C LEU A 75 -17.373 -10.212 26.270 1.00 31.53 C ATOM 1241 O LEU A 75 -17.676 -11.294 26.773 1.00 14.55 O ATOM 1242 CB LEU A 75 -15.015 -9.398 26.236 1.00 43.21 C ATOM 1243 CG LEU A 75 -13.740 -9.061 25.454 1.00 43.31 C ATOM 1244 CD1 LEU A 75 -13.206 -7.696 25.863 1.00 63.10 C ATOM 1245 CD2 LEU A 75 -12.683 -10.138 25.661 1.00 74.13 C ATOM 0 H LEU A 75 -16.412 -8.312 24.320 1.00 52.12 H new ATOM 0 HA LEU A 75 -15.803 -11.079 25.125 1.00 13.42 H new ATOM 0 HB2 LEU A 75 -15.416 -8.478 26.663 1.00 43.21 H new ATOM 0 HB3 LEU A 75 -14.751 -10.048 27.070 1.00 43.21 H new ATOM 0 HG LEU A 75 -13.987 -9.026 24.393 1.00 43.31 H new ATOM 0 HD11 LEU A 75 -12.301 -7.475 25.297 1.00 63.10 H new ATOM 0 HD12 LEU A 75 -13.958 -6.934 25.657 1.00 63.10 H new ATOM 0 HD13 LEU A 75 -12.976 -7.700 26.928 1.00 63.10 H new ATOM 0 HD21 LEU A 75 -11.786 -9.880 25.098 1.00 74.13 H new ATOM 0 HD22 LEU A 75 -12.438 -10.209 26.721 1.00 74.13 H new ATOM 0 HD23 LEU A 75 -13.067 -11.097 25.313 1.00 74.13 H new ATOM 1257 N PHE A 76 -18.089 -9.109 26.454 1.00 73.34 N ATOM 1258 CA PHE A 76 -19.296 -9.112 27.277 1.00 61.03 C ATOM 1259 C PHE A 76 -20.558 -9.292 26.455 1.00 53.21 C ATOM 1260 O PHE A 76 -21.629 -8.823 26.840 1.00 1.11 O ATOM 1261 CB PHE A 76 -19.404 -7.816 28.043 1.00 51.14 C ATOM 1262 CG PHE A 76 -18.223 -7.546 28.913 1.00 33.21 C ATOM 1263 CD1 PHE A 76 -18.153 -8.078 30.188 1.00 44.41 C ATOM 1264 CD2 PHE A 76 -17.179 -6.763 28.454 1.00 2.43 C ATOM 1265 CE1 PHE A 76 -17.060 -7.831 30.990 1.00 73.25 C ATOM 1266 CE2 PHE A 76 -16.086 -6.514 29.251 1.00 14.30 C ATOM 1267 CZ PHE A 76 -16.027 -7.048 30.521 1.00 10.35 C ATOM 0 H PHE A 76 -17.857 -8.203 26.047 1.00 73.34 H new ATOM 0 HA PHE A 76 -19.208 -9.958 27.959 1.00 61.03 H new ATOM 0 HB2 PHE A 76 -19.523 -6.994 27.338 1.00 51.14 H new ATOM 0 HB3 PHE A 76 -20.303 -7.840 28.659 1.00 51.14 H new ATOM 0 HD1 PHE A 76 -18.961 -8.692 30.558 1.00 44.41 H new ATOM 0 HD2 PHE A 76 -17.223 -6.343 27.460 1.00 2.43 H new ATOM 0 HE1 PHE A 76 -17.013 -8.250 31.984 1.00 73.25 H new ATOM 0 HE2 PHE A 76 -15.276 -5.902 28.883 1.00 14.30 H new ATOM 0 HZ PHE A 76 -15.170 -6.853 31.149 1.00 10.35 H new ATOM 1277 N GLU A 77 -20.429 -9.961 25.333 1.00 54.11 N ATOM 1278 CA GLU A 77 -21.564 -10.204 24.452 1.00 1.24 C ATOM 1279 C GLU A 77 -22.553 -11.162 25.110 1.00 64.35 C ATOM 1280 O GLU A 77 -22.853 -12.230 24.576 1.00 22.34 O ATOM 1281 CB GLU A 77 -21.090 -10.773 23.111 1.00 71.23 C ATOM 1282 CG GLU A 77 -22.029 -10.468 21.955 1.00 55.43 C ATOM 1283 CD GLU A 77 -21.770 -11.347 20.746 1.00 0.31 C ATOM 1284 OE1 GLU A 77 -20.610 -11.766 20.555 1.00 30.04 O ATOM 1285 OE2 GLU A 77 -22.728 -11.615 19.991 1.00 31.00 O ATOM 0 H GLU A 77 -19.547 -10.352 25.001 1.00 54.11 H new ATOM 0 HA GLU A 77 -22.066 -9.254 24.269 1.00 1.24 H new ATOM 0 HB2 GLU A 77 -20.103 -10.370 22.883 1.00 71.23 H new ATOM 0 HB3 GLU A 77 -20.979 -11.853 23.203 1.00 71.23 H new ATOM 0 HG2 GLU A 77 -23.060 -10.603 22.284 1.00 55.43 H new ATOM 0 HG3 GLU A 77 -21.920 -9.422 21.669 1.00 55.43 H new ATOM 1292 N GLY A 78 -23.049 -10.770 26.277 1.00 23.53 N ATOM 1293 CA GLY A 78 -23.992 -11.591 27.003 1.00 62.55 C ATOM 1294 C GLY A 78 -24.602 -10.860 28.183 1.00 72.21 C ATOM 1295 O GLY A 78 -25.803 -10.964 28.433 1.00 64.15 O ATOM 0 H GLY A 78 -22.811 -9.890 26.735 1.00 23.53 H new ATOM 0 HA2 GLY A 78 -24.785 -11.913 26.328 1.00 62.55 H new ATOM 0 HA3 GLY A 78 -23.490 -12.491 27.356 1.00 62.55 H new