USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=15 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= -1.65 K(o=-3.2,f=-1.1) USER MOD Set 1.2: A 49 MET CE :methyl -132:sc= -1.57 (180deg=-1.49) USER MOD Set 2.1: A 44 GLN : amide:sc= -0.244 K(o=-2.1,f=-0.58) USER MOD Set 2.2: A 47 GLN : amide:sc= -1.84 K(o=-2.1,f=-0.58) USER MOD Set 3.1: A 8 CYS SG : rot 17:sc= 0.994 USER MOD Set 3.2: A 36 SER OG : rot -58:sc= -0.083 USER MOD Single : A 5 THR OG1 : rot 19:sc= 0.409 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0.242 K(o=0.24,f=-0.47) USER MOD Single : A 18 GLN : amide:sc= -3.22 X(o=-3.2,f=-3.3!) USER MOD Single : A 21 GLN : amide:sc= -0.163 K(o=-0.16,f=-3.9!) USER MOD Single : A 23 TYR OH : rot 30:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 159:sc= -0.0156 (180deg=-0.165) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.897 K(o=-0.9,f=-2.6!) USER MOD Single : A 37 LYS NZ :NH3+ -145:sc= -0.077 (180deg=-1.65!) USER MOD Single : A 42 GLN : amide:sc= -0.543 K(o=-0.54,f=-2.8!) USER MOD Single : A 46 LYS NZ :NH3+ 178:sc= 0.496 (180deg=0.494) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.448 X(o=0.45,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -149:sc=-0.000526 (180deg=-0.688) USER MOD Single : A 55 LYS NZ :NH3+ 167:sc= -0.0812 (180deg=-0.4) USER MOD Single : A 57 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.085) USER MOD Single : A 58 MET CE :methyl -170:sc= -9.7! (180deg=-10.4!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -2.12 K(o=-2.1,f=-8.2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.155 K(o=-0.15,f=-1.3!) USER MOD Single : A 71 MET CE :methyl -163:sc= -2.3! (180deg=-3.5!) USER MOD Single : A 73 ASN : amide:sc= -1.66 K(o=-1.7,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 5 -8.947 -18.713 41.181 1.00 61.43 N ATOM 63 CA THR A 5 -9.255 -18.846 39.762 1.00 75.42 C ATOM 64 C THR A 5 -10.690 -18.406 39.489 1.00 53.15 C ATOM 65 O THR A 5 -11.641 -19.000 39.999 1.00 32.22 O ATOM 66 CB THR A 5 -9.051 -20.293 39.310 1.00 2.14 C ATOM 67 OG1 THR A 5 -7.904 -20.853 39.926 1.00 3.05 O ATOM 68 CG2 THR A 5 -8.881 -20.434 37.814 1.00 34.41 C ATOM 0 HA THR A 5 -8.579 -18.204 39.197 1.00 75.42 H new ATOM 0 HB THR A 5 -9.958 -20.819 39.608 1.00 2.14 H new ATOM 0 HG1 THR A 5 -7.664 -20.322 40.714 1.00 3.05 H new ATOM 0 HG21 THR A 5 -8.741 -21.485 37.561 1.00 34.41 H new ATOM 0 HG22 THR A 5 -9.770 -20.055 37.309 1.00 34.41 H new ATOM 0 HG23 THR A 5 -8.010 -19.864 37.491 1.00 34.41 H new ATOM 76 N ILE A 6 -10.842 -17.352 38.690 1.00 1.53 N ATOM 77 CA ILE A 6 -12.161 -16.826 38.361 1.00 33.41 C ATOM 78 C ILE A 6 -12.827 -17.636 37.257 1.00 11.10 C ATOM 79 O ILE A 6 -12.264 -18.607 36.752 1.00 72.21 O ATOM 80 CB ILE A 6 -12.084 -15.350 37.916 1.00 12.34 C ATOM 81 CG1 ILE A 6 -11.315 -15.220 36.597 1.00 14.45 C ATOM 82 CG2 ILE A 6 -11.431 -14.504 38.999 1.00 42.42 C ATOM 83 CD1 ILE A 6 -11.625 -13.950 35.835 1.00 23.21 C ATOM 0 H ILE A 6 -10.067 -16.847 38.260 1.00 1.53 H new ATOM 0 HA ILE A 6 -12.758 -16.899 39.270 1.00 33.41 H new ATOM 0 HB ILE A 6 -13.099 -14.987 37.756 1.00 12.34 H new ATOM 0 HG12 ILE A 6 -10.246 -15.257 36.805 1.00 14.45 H new ATOM 0 HG13 ILE A 6 -11.546 -16.078 35.966 1.00 14.45 H new ATOM 0 HG21 ILE A 6 -11.384 -13.466 38.671 1.00 42.42 H new ATOM 0 HG22 ILE A 6 -12.018 -14.569 39.915 1.00 42.42 H new ATOM 0 HG23 ILE A 6 -10.422 -14.871 39.188 1.00 42.42 H new ATOM 0 HD11 ILE A 6 -11.044 -13.928 34.913 1.00 23.21 H new ATOM 0 HD12 ILE A 6 -12.688 -13.920 35.595 1.00 23.21 H new ATOM 0 HD13 ILE A 6 -11.367 -13.086 36.447 1.00 23.21 H new ATOM 95 N PHE A 7 -14.023 -17.209 36.876 1.00 13.34 N ATOM 96 CA PHE A 7 -14.773 -17.866 35.817 1.00 50.22 C ATOM 97 C PHE A 7 -14.993 -16.897 34.665 1.00 42.14 C ATOM 98 O PHE A 7 -15.926 -16.094 34.687 1.00 72.41 O ATOM 99 CB PHE A 7 -16.119 -18.370 36.343 1.00 50.24 C ATOM 100 CG PHE A 7 -16.725 -19.449 35.491 1.00 70.43 C ATOM 101 CD1 PHE A 7 -16.110 -20.685 35.380 1.00 13.11 C ATOM 102 CD2 PHE A 7 -17.906 -19.227 34.802 1.00 40.51 C ATOM 103 CE1 PHE A 7 -16.664 -21.681 34.598 1.00 14.44 C ATOM 104 CE2 PHE A 7 -18.465 -20.218 34.019 1.00 31.12 C ATOM 105 CZ PHE A 7 -17.842 -21.446 33.916 1.00 21.53 C ATOM 0 H PHE A 7 -14.496 -16.405 37.288 1.00 13.34 H new ATOM 0 HA PHE A 7 -14.200 -18.722 35.462 1.00 50.22 H new ATOM 0 HB2 PHE A 7 -15.986 -18.749 37.356 1.00 50.24 H new ATOM 0 HB3 PHE A 7 -16.814 -17.532 36.404 1.00 50.24 H new ATOM 0 HD1 PHE A 7 -15.188 -20.873 35.910 1.00 13.11 H new ATOM 0 HD2 PHE A 7 -18.396 -18.267 34.878 1.00 40.51 H new ATOM 0 HE1 PHE A 7 -16.177 -22.642 34.520 1.00 14.44 H new ATOM 0 HE2 PHE A 7 -19.387 -20.033 33.488 1.00 31.12 H new ATOM 0 HZ PHE A 7 -18.275 -22.222 33.303 1.00 21.53 H new ATOM 115 N CYS A 8 -14.124 -16.967 33.665 1.00 31.32 N ATOM 116 CA CYS A 8 -14.222 -16.082 32.512 1.00 54.41 C ATOM 117 C CYS A 8 -15.570 -16.246 31.818 1.00 65.22 C ATOM 118 O CYS A 8 -16.140 -17.337 31.800 1.00 34.32 O ATOM 119 CB CYS A 8 -13.082 -16.362 31.530 1.00 24.25 C ATOM 120 SG CYS A 8 -12.981 -15.188 30.159 1.00 51.15 S ATOM 0 H CYS A 8 -13.346 -17.625 33.629 1.00 31.32 H new ATOM 0 HA CYS A 8 -14.140 -15.053 32.862 1.00 54.41 H new ATOM 0 HB2 CYS A 8 -12.138 -16.350 32.074 1.00 24.25 H new ATOM 0 HB3 CYS A 8 -13.204 -17.367 31.125 1.00 24.25 H new ATOM 0 HG CYS A 8 -13.664 -14.121 30.450 1.00 51.15 H new ATOM 126 N THR A 9 -16.078 -15.156 31.251 1.00 52.25 N ATOM 127 CA THR A 9 -17.362 -15.186 30.561 1.00 12.21 C ATOM 128 C THR A 9 -17.169 -15.328 29.054 1.00 43.22 C ATOM 129 O THR A 9 -18.054 -15.810 28.347 1.00 73.23 O ATOM 130 CB THR A 9 -18.161 -13.919 30.874 1.00 25.02 C ATOM 131 OG1 THR A 9 -19.476 -14.016 30.356 1.00 2.15 O ATOM 132 CG2 THR A 9 -17.538 -12.662 30.310 1.00 1.45 C ATOM 0 H THR A 9 -15.621 -14.244 31.256 1.00 52.25 H new ATOM 0 HA THR A 9 -17.919 -16.053 30.917 1.00 12.21 H new ATOM 0 HB THR A 9 -18.168 -13.844 31.961 1.00 25.02 H new ATOM 0 HG1 THR A 9 -19.972 -13.198 30.567 1.00 2.15 H new ATOM 0 HG21 THR A 9 -18.156 -11.802 30.569 1.00 1.45 H new ATOM 0 HG22 THR A 9 -16.540 -12.531 30.728 1.00 1.45 H new ATOM 0 HG23 THR A 9 -17.469 -12.745 29.225 1.00 1.45 H new ATOM 140 N PHE A 10 -16.004 -14.911 28.569 1.00 65.32 N ATOM 141 CA PHE A 10 -15.695 -15.000 27.148 1.00 62.40 C ATOM 142 C PHE A 10 -15.395 -16.445 26.763 1.00 73.04 C ATOM 143 O PHE A 10 -15.898 -16.951 25.761 1.00 1.33 O ATOM 144 CB PHE A 10 -14.502 -14.103 26.811 1.00 25.33 C ATOM 145 CG PHE A 10 -14.098 -14.152 25.365 1.00 64.10 C ATOM 146 CD1 PHE A 10 -14.840 -13.488 24.402 1.00 61.21 C ATOM 147 CD2 PHE A 10 -12.974 -14.860 24.972 1.00 62.10 C ATOM 148 CE1 PHE A 10 -14.469 -13.532 23.071 1.00 51.44 C ATOM 149 CE2 PHE A 10 -12.597 -14.907 23.644 1.00 3.30 C ATOM 150 CZ PHE A 10 -13.344 -14.241 22.692 1.00 24.22 C ATOM 0 H PHE A 10 -15.260 -14.509 29.139 1.00 65.32 H new ATOM 0 HA PHE A 10 -16.560 -14.660 26.579 1.00 62.40 H new ATOM 0 HB2 PHE A 10 -14.746 -13.074 27.076 1.00 25.33 H new ATOM 0 HB3 PHE A 10 -13.652 -14.398 27.427 1.00 25.33 H new ATOM 0 HD1 PHE A 10 -15.717 -12.930 24.694 1.00 61.21 H new ATOM 0 HD2 PHE A 10 -12.386 -15.381 25.713 1.00 62.10 H new ATOM 0 HE1 PHE A 10 -15.057 -13.013 22.328 1.00 51.44 H new ATOM 0 HE2 PHE A 10 -11.719 -15.464 23.350 1.00 3.30 H new ATOM 0 HZ PHE A 10 -13.050 -14.274 21.653 1.00 24.22 H new ATOM 160 N LEU A 11 -14.584 -17.107 27.581 1.00 73.11 N ATOM 161 CA LEU A 11 -14.229 -18.501 27.345 1.00 31.00 C ATOM 162 C LEU A 11 -15.239 -19.428 28.009 1.00 73.10 C ATOM 163 O LEU A 11 -15.307 -20.616 27.696 1.00 62.15 O ATOM 164 CB LEU A 11 -12.829 -18.807 27.883 1.00 1.01 C ATOM 165 CG LEU A 11 -11.784 -17.713 27.662 1.00 4.35 C ATOM 166 CD1 LEU A 11 -10.828 -17.641 28.845 1.00 41.20 C ATOM 167 CD2 LEU A 11 -11.019 -17.965 26.368 1.00 2.01 C ATOM 0 H LEU A 11 -14.160 -16.700 28.414 1.00 73.11 H new ATOM 0 HA LEU A 11 -14.238 -18.669 26.268 1.00 31.00 H new ATOM 0 HB2 LEU A 11 -12.905 -19.002 28.953 1.00 1.01 H new ATOM 0 HB3 LEU A 11 -12.472 -19.725 27.416 1.00 1.01 H new ATOM 0 HG LEU A 11 -12.297 -16.755 27.579 1.00 4.35 H new ATOM 0 HD11 LEU A 11 -10.091 -16.857 28.670 1.00 41.20 H new ATOM 0 HD12 LEU A 11 -11.388 -17.417 29.753 1.00 41.20 H new ATOM 0 HD13 LEU A 11 -10.319 -18.598 28.960 1.00 41.20 H new ATOM 0 HD21 LEU A 11 -10.279 -17.178 26.224 1.00 2.01 H new ATOM 0 HD22 LEU A 11 -10.516 -18.930 26.425 1.00 2.01 H new ATOM 0 HD23 LEU A 11 -11.714 -17.967 25.529 1.00 2.01 H new ATOM 179 N GLN A 12 -16.014 -18.880 28.941 1.00 23.53 N ATOM 180 CA GLN A 12 -17.007 -19.664 29.658 1.00 23.44 C ATOM 181 C GLN A 12 -16.331 -20.795 30.421 1.00 25.43 C ATOM 182 O GLN A 12 -16.828 -21.920 30.459 1.00 51.41 O ATOM 183 CB GLN A 12 -18.047 -20.228 28.688 1.00 53.11 C ATOM 184 CG GLN A 12 -19.078 -19.205 28.239 1.00 64.42 C ATOM 185 CD GLN A 12 -19.948 -18.716 29.379 1.00 42.33 C ATOM 186 OE1 GLN A 12 -20.399 -19.502 30.213 1.00 24.32 O ATOM 187 NE2 GLN A 12 -20.191 -17.412 29.420 1.00 71.40 N ATOM 0 H GLN A 12 -15.971 -17.898 29.215 1.00 23.53 H new ATOM 0 HA GLN A 12 -17.515 -19.013 30.370 1.00 23.44 H new ATOM 0 HB2 GLN A 12 -17.536 -20.625 27.811 1.00 53.11 H new ATOM 0 HB3 GLN A 12 -18.560 -21.064 29.164 1.00 53.11 H new ATOM 0 HG2 GLN A 12 -18.568 -18.355 27.786 1.00 64.42 H new ATOM 0 HG3 GLN A 12 -19.710 -19.646 27.468 1.00 64.42 H new ATOM 0 HE21 GLN A 12 -19.797 -16.797 28.708 1.00 71.40 H new ATOM 0 HE22 GLN A 12 -20.772 -17.025 30.163 1.00 71.40 H new ATOM 196 N ARG A 13 -15.192 -20.483 31.033 1.00 31.42 N ATOM 197 CA ARG A 13 -14.439 -21.467 31.805 1.00 30.23 C ATOM 198 C ARG A 13 -13.813 -20.814 33.033 1.00 63.10 C ATOM 199 O ARG A 13 -14.046 -19.638 33.309 1.00 64.23 O ATOM 200 CB ARG A 13 -13.336 -22.112 30.952 1.00 73.20 C ATOM 201 CG ARG A 13 -13.433 -21.815 29.465 1.00 72.11 C ATOM 202 CD ARG A 13 -12.125 -22.123 28.758 1.00 24.42 C ATOM 203 NE ARG A 13 -12.334 -22.545 27.375 1.00 51.31 N ATOM 204 CZ ARG A 13 -11.719 -23.582 26.808 1.00 21.21 C ATOM 205 NH1 ARG A 13 -10.854 -24.318 27.497 1.00 22.03 N ATOM 206 NH2 ARG A 13 -11.971 -23.885 25.542 1.00 63.21 N ATOM 0 H ARG A 13 -14.770 -19.555 31.009 1.00 31.42 H new ATOM 0 HA ARG A 13 -15.136 -22.243 32.122 1.00 30.23 H new ATOM 0 HB2 ARG A 13 -12.367 -21.770 31.315 1.00 73.20 H new ATOM 0 HB3 ARG A 13 -13.368 -23.192 31.097 1.00 73.20 H new ATOM 0 HG2 ARG A 13 -14.236 -22.407 29.025 1.00 72.11 H new ATOM 0 HG3 ARG A 13 -13.692 -20.767 29.317 1.00 72.11 H new ATOM 0 HD2 ARG A 13 -11.488 -21.239 28.774 1.00 24.42 H new ATOM 0 HD3 ARG A 13 -11.596 -22.907 29.300 1.00 24.42 H new ATOM 0 HE ARG A 13 -12.993 -22.012 26.807 1.00 51.31 H new ATOM 0 HH11 ARG A 13 -10.654 -24.092 28.471 1.00 22.03 H new ATOM 0 HH12 ARG A 13 -10.390 -25.109 27.052 1.00 22.03 H new ATOM 0 HH21 ARG A 13 -12.634 -23.325 25.006 1.00 63.21 H new ATOM 0 HH22 ARG A 13 -11.502 -24.678 25.104 1.00 63.21 H new ATOM 220 N GLU A 14 -13.013 -21.584 33.761 1.00 1.13 N ATOM 221 CA GLU A 14 -12.348 -21.076 34.955 1.00 34.13 C ATOM 222 C GLU A 14 -10.907 -20.688 34.645 1.00 14.15 C ATOM 223 O GLU A 14 -10.075 -21.542 34.340 1.00 14.24 O ATOM 224 CB GLU A 14 -12.379 -22.119 36.072 1.00 13.12 C ATOM 225 CG GLU A 14 -12.493 -21.514 37.461 1.00 33.02 C ATOM 226 CD GLU A 14 -12.891 -22.534 38.509 1.00 62.23 C ATOM 227 OE1 GLU A 14 -12.011 -23.299 38.955 1.00 33.53 O ATOM 228 OE2 GLU A 14 -14.082 -22.568 38.883 1.00 65.42 O ATOM 0 H GLU A 14 -12.809 -22.560 33.546 1.00 1.13 H new ATOM 0 HA GLU A 14 -12.885 -20.188 35.289 1.00 34.13 H new ATOM 0 HB2 GLU A 14 -13.220 -22.792 35.907 1.00 13.12 H new ATOM 0 HB3 GLU A 14 -11.473 -22.723 36.020 1.00 13.12 H new ATOM 0 HG2 GLU A 14 -11.538 -21.067 37.738 1.00 33.02 H new ATOM 0 HG3 GLU A 14 -13.229 -20.710 37.444 1.00 33.02 H new ATOM 235 N ALA A 15 -10.619 -19.393 34.724 1.00 12.03 N ATOM 236 CA ALA A 15 -9.278 -18.893 34.451 1.00 21.22 C ATOM 237 C ALA A 15 -8.673 -18.254 35.695 1.00 54.41 C ATOM 238 O ALA A 15 -9.393 -17.848 36.608 1.00 2.04 O ATOM 239 CB ALA A 15 -9.310 -17.894 33.304 1.00 50.14 C ATOM 0 H ALA A 15 -11.296 -18.672 34.975 1.00 12.03 H new ATOM 0 HA ALA A 15 -8.651 -19.737 34.163 1.00 21.22 H new ATOM 0 HB1 ALA A 15 -8.301 -17.529 33.111 1.00 50.14 H new ATOM 0 HB2 ALA A 15 -9.697 -18.380 32.409 1.00 50.14 H new ATOM 0 HB3 ALA A 15 -9.955 -17.056 33.569 1.00 50.14 H new ATOM 245 N GLU A 16 -7.348 -18.167 35.727 1.00 3.04 N ATOM 246 CA GLU A 16 -6.651 -17.576 36.863 1.00 72.43 C ATOM 247 C GLU A 16 -7.086 -16.131 37.089 1.00 31.24 C ATOM 248 O GLU A 16 -6.907 -15.583 38.176 1.00 54.24 O ATOM 249 CB GLU A 16 -5.138 -17.637 36.649 1.00 40.45 C ATOM 250 CG GLU A 16 -4.677 -16.973 35.361 1.00 2.55 C ATOM 251 CD GLU A 16 -3.189 -16.690 35.354 1.00 45.03 C ATOM 252 OE1 GLU A 16 -2.712 -15.999 36.278 1.00 45.02 O ATOM 253 OE2 GLU A 16 -2.498 -17.157 34.423 1.00 44.31 O ATOM 0 H GLU A 16 -6.736 -18.498 34.981 1.00 3.04 H new ATOM 0 HA GLU A 16 -6.911 -18.153 37.750 1.00 72.43 H new ATOM 0 HB2 GLU A 16 -4.641 -17.158 37.493 1.00 40.45 H new ATOM 0 HB3 GLU A 16 -4.822 -18.680 36.643 1.00 40.45 H new ATOM 0 HG2 GLU A 16 -4.925 -17.615 34.516 1.00 2.55 H new ATOM 0 HG3 GLU A 16 -5.222 -16.039 35.222 1.00 2.55 H new ATOM 260 N GLY A 17 -7.659 -15.523 36.059 1.00 52.13 N ATOM 261 CA GLY A 17 -8.111 -14.149 36.168 1.00 51.12 C ATOM 262 C GLY A 17 -6.963 -13.160 36.158 1.00 22.35 C ATOM 263 O GLY A 17 -5.828 -13.518 35.844 1.00 53.22 O ATOM 0 H GLY A 17 -7.819 -15.956 35.150 1.00 52.13 H new ATOM 0 HA2 GLY A 17 -8.787 -13.925 35.343 1.00 51.12 H new ATOM 0 HA3 GLY A 17 -8.682 -14.029 37.089 1.00 51.12 H new ATOM 267 N GLN A 18 -7.259 -11.911 36.503 1.00 21.14 N ATOM 268 CA GLN A 18 -6.245 -10.865 36.533 1.00 54.11 C ATOM 269 C GLN A 18 -5.954 -10.434 37.964 1.00 43.52 C ATOM 270 O GLN A 18 -6.541 -10.954 38.913 1.00 15.54 O ATOM 271 CB GLN A 18 -6.704 -9.664 35.707 1.00 11.52 C ATOM 272 CG GLN A 18 -7.009 -10.012 34.259 1.00 53.05 C ATOM 273 CD GLN A 18 -8.454 -9.748 33.882 1.00 62.42 C ATOM 274 OE1 GLN A 18 -8.748 -8.853 33.089 1.00 1.12 O ATOM 275 NE2 GLN A 18 -9.365 -10.533 34.446 1.00 14.32 N ATOM 0 H GLN A 18 -8.194 -11.599 36.766 1.00 21.14 H new ATOM 0 HA GLN A 18 -5.328 -11.265 36.101 1.00 54.11 H new ATOM 0 HB2 GLN A 18 -7.595 -9.235 36.166 1.00 11.52 H new ATOM 0 HB3 GLN A 18 -5.931 -8.896 35.734 1.00 11.52 H new ATOM 0 HG2 GLN A 18 -6.356 -9.433 33.606 1.00 53.05 H new ATOM 0 HG3 GLN A 18 -6.780 -11.064 34.087 1.00 53.05 H new ATOM 0 HE21 GLN A 18 -9.076 -11.263 35.098 1.00 14.32 H new ATOM 0 HE22 GLN A 18 -10.353 -10.406 34.227 1.00 14.32 H new ATOM 284 N ASP A 19 -5.039 -9.483 38.114 1.00 30.30 N ATOM 285 CA ASP A 19 -4.666 -8.985 39.432 1.00 31.15 C ATOM 286 C ASP A 19 -4.880 -7.479 39.542 1.00 54.34 C ATOM 287 O ASP A 19 -5.088 -6.952 40.635 1.00 62.12 O ATOM 288 CB ASP A 19 -3.206 -9.320 39.730 1.00 61.25 C ATOM 289 CG ASP A 19 -2.985 -10.804 39.941 1.00 4.21 C ATOM 290 OD1 ASP A 19 -3.839 -11.443 40.592 1.00 32.45 O ATOM 291 OD2 ASP A 19 -1.960 -11.328 39.457 1.00 63.02 O ATOM 0 H ASP A 19 -4.542 -9.042 37.340 1.00 30.30 H new ATOM 0 HA ASP A 19 -5.309 -9.475 40.164 1.00 31.15 H new ATOM 0 HB2 ASP A 19 -2.582 -8.976 38.905 1.00 61.25 H new ATOM 0 HB3 ASP A 19 -2.886 -8.778 40.620 1.00 61.25 H new ATOM 296 N PHE A 20 -4.820 -6.787 38.409 1.00 75.50 N ATOM 297 CA PHE A 20 -4.999 -5.340 38.393 1.00 61.11 C ATOM 298 C PHE A 20 -5.945 -4.908 37.279 1.00 11.10 C ATOM 299 O PHE A 20 -5.836 -5.370 36.143 1.00 10.14 O ATOM 300 CB PHE A 20 -3.648 -4.642 38.226 1.00 42.10 C ATOM 301 CG PHE A 20 -2.743 -5.313 37.233 1.00 20.33 C ATOM 302 CD1 PHE A 20 -2.918 -5.119 35.873 1.00 53.11 C ATOM 303 CD2 PHE A 20 -1.715 -6.137 37.660 1.00 62.20 C ATOM 304 CE1 PHE A 20 -2.087 -5.733 34.957 1.00 13.12 C ATOM 305 CE2 PHE A 20 -0.878 -6.754 36.750 1.00 64.11 C ATOM 306 CZ PHE A 20 -1.065 -6.552 35.396 1.00 51.01 C ATOM 0 H PHE A 20 -4.649 -7.203 37.493 1.00 75.50 H new ATOM 0 HA PHE A 20 -5.442 -5.050 39.346 1.00 61.11 H new ATOM 0 HB2 PHE A 20 -3.817 -3.612 37.913 1.00 42.10 H new ATOM 0 HB3 PHE A 20 -3.147 -4.603 39.193 1.00 42.10 H new ATOM 0 HD1 PHE A 20 -3.715 -4.479 35.524 1.00 53.11 H new ATOM 0 HD2 PHE A 20 -1.566 -6.299 38.717 1.00 62.20 H new ATOM 0 HE1 PHE A 20 -2.236 -5.573 33.899 1.00 13.12 H new ATOM 0 HE2 PHE A 20 -0.079 -7.393 37.096 1.00 64.11 H new ATOM 0 HZ PHE A 20 -0.413 -7.034 34.682 1.00 51.01 H new ATOM 316 N GLN A 21 -6.869 -4.014 37.613 1.00 15.34 N ATOM 317 CA GLN A 21 -7.834 -3.510 36.645 1.00 22.42 C ATOM 318 C GLN A 21 -7.125 -2.805 35.491 1.00 75.54 C ATOM 319 O GLN A 21 -6.291 -1.926 35.705 1.00 3.30 O ATOM 320 CB GLN A 21 -8.815 -2.555 37.329 1.00 41.11 C ATOM 321 CG GLN A 21 -9.941 -2.090 36.425 1.00 63.45 C ATOM 322 CD GLN A 21 -11.219 -1.790 37.185 1.00 14.32 C ATOM 323 OE1 GLN A 21 -11.587 -2.511 38.112 1.00 21.41 O ATOM 324 NE2 GLN A 21 -11.903 -0.721 36.795 1.00 51.02 N ATOM 0 H GLN A 21 -6.970 -3.623 38.550 1.00 15.34 H new ATOM 0 HA GLN A 21 -8.389 -4.355 36.239 1.00 22.42 H new ATOM 0 HB2 GLN A 21 -9.242 -3.050 38.202 1.00 41.11 H new ATOM 0 HB3 GLN A 21 -8.268 -1.684 37.692 1.00 41.11 H new ATOM 0 HG2 GLN A 21 -9.624 -1.196 35.888 1.00 63.45 H new ATOM 0 HG3 GLN A 21 -10.140 -2.857 35.677 1.00 63.45 H new ATOM 0 HE21 GLN A 21 -11.561 -0.151 36.021 1.00 51.02 H new ATOM 0 HE22 GLN A 21 -12.770 -0.470 37.269 1.00 51.02 H new ATOM 333 N LEU A 22 -7.457 -3.206 34.267 1.00 10.45 N ATOM 334 CA LEU A 22 -6.846 -2.625 33.075 1.00 4.02 C ATOM 335 C LEU A 22 -7.683 -1.468 32.534 1.00 35.51 C ATOM 336 O LEU A 22 -7.144 -0.437 32.130 1.00 71.53 O ATOM 337 CB LEU A 22 -6.673 -3.699 31.995 1.00 12.14 C ATOM 338 CG LEU A 22 -6.303 -5.090 32.520 1.00 25.31 C ATOM 339 CD1 LEU A 22 -6.731 -6.170 31.536 1.00 12.30 C ATOM 340 CD2 LEU A 22 -4.808 -5.176 32.794 1.00 4.03 C ATOM 0 H LEU A 22 -8.147 -3.932 34.074 1.00 10.45 H new ATOM 0 HA LEU A 22 -5.867 -2.234 33.353 1.00 4.02 H new ATOM 0 HB2 LEU A 22 -7.601 -3.776 31.428 1.00 12.14 H new ATOM 0 HB3 LEU A 22 -5.900 -3.372 31.299 1.00 12.14 H new ATOM 0 HG LEU A 22 -6.835 -5.254 33.457 1.00 25.31 H new ATOM 0 HD11 LEU A 22 -6.458 -7.149 31.929 1.00 12.30 H new ATOM 0 HD12 LEU A 22 -7.811 -6.124 31.393 1.00 12.30 H new ATOM 0 HD13 LEU A 22 -6.231 -6.011 30.581 1.00 12.30 H new ATOM 0 HD21 LEU A 22 -4.563 -6.171 33.166 1.00 4.03 H new ATOM 0 HD22 LEU A 22 -4.258 -4.988 31.872 1.00 4.03 H new ATOM 0 HD23 LEU A 22 -4.531 -4.431 33.540 1.00 4.03 H new ATOM 352 N TYR A 23 -8.999 -1.640 32.536 1.00 34.05 N ATOM 353 CA TYR A 23 -9.908 -0.606 32.053 1.00 23.50 C ATOM 354 C TYR A 23 -10.400 0.249 33.221 1.00 25.40 C ATOM 355 O TYR A 23 -10.211 -0.112 34.379 1.00 43.13 O ATOM 356 CB TYR A 23 -11.093 -1.243 31.329 1.00 63.45 C ATOM 357 CG TYR A 23 -11.303 -0.741 29.922 1.00 52.33 C ATOM 358 CD1 TYR A 23 -10.251 -0.645 29.022 1.00 65.42 C ATOM 359 CD2 TYR A 23 -12.567 -0.367 29.497 1.00 4.51 C ATOM 360 CE1 TYR A 23 -10.457 -0.188 27.734 1.00 33.35 C ATOM 361 CE2 TYR A 23 -12.783 0.090 28.213 1.00 71.50 C ATOM 362 CZ TYR A 23 -11.725 0.178 27.335 1.00 12.35 C ATOM 363 OH TYR A 23 -11.936 0.633 26.053 1.00 2.05 O ATOM 0 H TYR A 23 -9.462 -2.487 32.867 1.00 34.05 H new ATOM 0 HA TYR A 23 -9.372 0.034 31.352 1.00 23.50 H new ATOM 0 HB2 TYR A 23 -10.948 -2.323 31.299 1.00 63.45 H new ATOM 0 HB3 TYR A 23 -11.999 -1.059 31.907 1.00 63.45 H new ATOM 0 HD1 TYR A 23 -9.257 -0.932 29.333 1.00 65.42 H new ATOM 0 HD2 TYR A 23 -13.399 -0.434 30.183 1.00 4.51 H new ATOM 0 HE1 TYR A 23 -9.629 -0.118 27.044 1.00 33.35 H new ATOM 0 HE2 TYR A 23 -13.775 0.377 27.898 1.00 71.50 H new ATOM 0 HH TYR A 23 -11.288 0.216 25.447 1.00 2.05 H new ATOM 373 N PRO A 24 -11.025 1.400 32.940 1.00 32.24 N ATOM 374 CA PRO A 24 -11.523 2.307 33.972 1.00 11.05 C ATOM 375 C PRO A 24 -12.989 2.066 34.321 1.00 1.33 C ATOM 376 O PRO A 24 -13.631 1.162 33.786 1.00 21.12 O ATOM 377 CB PRO A 24 -11.380 3.646 33.273 1.00 65.33 C ATOM 378 CG PRO A 24 -11.809 3.334 31.881 1.00 43.20 C ATOM 379 CD PRO A 24 -11.286 1.944 31.593 1.00 63.42 C ATOM 0 HA PRO A 24 -10.993 2.202 34.919 1.00 11.05 H new ATOM 0 HB2 PRO A 24 -12.009 4.410 33.729 1.00 65.33 H new ATOM 0 HB3 PRO A 24 -10.355 4.014 33.308 1.00 65.33 H new ATOM 0 HG2 PRO A 24 -12.894 3.371 31.788 1.00 43.20 H new ATOM 0 HG3 PRO A 24 -11.404 4.059 31.175 1.00 43.20 H new ATOM 0 HD2 PRO A 24 -12.015 1.343 31.050 1.00 63.42 H new ATOM 0 HD3 PRO A 24 -10.381 1.971 30.987 1.00 63.42 H new ATOM 387 N GLY A 25 -13.511 2.909 35.206 1.00 62.31 N ATOM 388 CA GLY A 25 -14.902 2.820 35.612 1.00 55.53 C ATOM 389 C GLY A 25 -15.363 1.415 35.940 1.00 61.45 C ATOM 390 O GLY A 25 -14.627 0.630 36.539 1.00 31.03 O ATOM 0 H GLY A 25 -12.988 3.661 35.654 1.00 62.31 H new ATOM 0 HA2 GLY A 25 -15.056 3.454 36.485 1.00 55.53 H new ATOM 0 HA3 GLY A 25 -15.528 3.219 34.814 1.00 55.53 H new ATOM 394 N GLU A 26 -16.599 1.114 35.557 1.00 34.32 N ATOM 395 CA GLU A 26 -17.196 -0.193 35.816 1.00 25.33 C ATOM 396 C GLU A 26 -16.746 -1.221 34.787 1.00 14.12 C ATOM 397 O GLU A 26 -16.495 -2.379 35.122 1.00 61.02 O ATOM 398 CB GLU A 26 -18.723 -0.095 35.801 1.00 60.13 C ATOM 399 CG GLU A 26 -19.276 1.018 36.675 1.00 32.34 C ATOM 400 CD GLU A 26 -20.693 0.738 37.141 1.00 53.51 C ATOM 401 OE1 GLU A 26 -21.600 0.686 36.284 1.00 44.40 O ATOM 402 OE2 GLU A 26 -20.894 0.570 38.362 1.00 61.30 O ATOM 0 H GLU A 26 -17.212 1.762 35.062 1.00 34.32 H new ATOM 0 HA GLU A 26 -16.861 -0.517 36.801 1.00 25.33 H new ATOM 0 HB2 GLU A 26 -19.057 0.061 34.775 1.00 60.13 H new ATOM 0 HB3 GLU A 26 -19.142 -1.046 36.131 1.00 60.13 H new ATOM 0 HG2 GLU A 26 -18.630 1.149 37.543 1.00 32.34 H new ATOM 0 HG3 GLU A 26 -19.258 1.956 36.119 1.00 32.34 H new ATOM 409 N LEU A 27 -16.651 -0.793 33.532 1.00 43.20 N ATOM 410 CA LEU A 27 -16.235 -1.686 32.458 1.00 70.03 C ATOM 411 C LEU A 27 -14.964 -2.429 32.843 1.00 3.24 C ATOM 412 O LEU A 27 -14.912 -3.658 32.812 1.00 43.43 O ATOM 413 CB LEU A 27 -16.011 -0.907 31.163 1.00 42.54 C ATOM 414 CG LEU A 27 -16.759 -1.443 29.940 1.00 51.12 C ATOM 415 CD1 LEU A 27 -16.596 -2.949 29.805 1.00 14.22 C ATOM 416 CD2 LEU A 27 -18.226 -1.060 30.009 1.00 51.13 C ATOM 0 H LEU A 27 -16.855 0.161 33.235 1.00 43.20 H new ATOM 0 HA LEU A 27 -17.032 -2.412 32.295 1.00 70.03 H new ATOM 0 HB2 LEU A 27 -16.309 0.129 31.325 1.00 42.54 H new ATOM 0 HB3 LEU A 27 -14.944 -0.901 30.942 1.00 42.54 H new ATOM 0 HG LEU A 27 -16.323 -0.987 29.051 1.00 51.12 H new ATOM 0 HD11 LEU A 27 -17.140 -3.297 28.927 1.00 14.22 H new ATOM 0 HD12 LEU A 27 -15.539 -3.192 29.697 1.00 14.22 H new ATOM 0 HD13 LEU A 27 -16.992 -3.439 30.694 1.00 14.22 H new ATOM 0 HD21 LEU A 27 -18.745 -1.448 29.133 1.00 51.13 H new ATOM 0 HD22 LEU A 27 -18.670 -1.482 30.910 1.00 51.13 H new ATOM 0 HD23 LEU A 27 -18.318 0.026 30.034 1.00 51.13 H new ATOM 428 N GLY A 28 -13.939 -1.676 33.221 1.00 3.43 N ATOM 429 CA GLY A 28 -12.693 -2.289 33.624 1.00 70.33 C ATOM 430 C GLY A 28 -12.900 -3.259 34.762 1.00 53.45 C ATOM 431 O GLY A 28 -12.194 -4.257 34.871 1.00 64.53 O ATOM 0 H GLY A 28 -13.950 -0.657 33.255 1.00 3.43 H new ATOM 0 HA2 GLY A 28 -12.251 -2.811 32.775 1.00 70.33 H new ATOM 0 HA3 GLY A 28 -11.986 -1.516 33.926 1.00 70.33 H new ATOM 435 N LYS A 29 -13.890 -2.970 35.601 1.00 41.30 N ATOM 436 CA LYS A 29 -14.206 -3.836 36.726 1.00 11.31 C ATOM 437 C LYS A 29 -14.759 -5.168 36.227 1.00 74.12 C ATOM 438 O LYS A 29 -14.290 -6.233 36.623 1.00 50.10 O ATOM 439 CB LYS A 29 -15.218 -3.157 37.654 1.00 13.40 C ATOM 440 CG LYS A 29 -14.663 -2.857 39.037 1.00 74.43 C ATOM 441 CD LYS A 29 -15.612 -3.311 40.137 1.00 54.40 C ATOM 442 CE LYS A 29 -15.072 -4.523 40.877 1.00 33.14 C ATOM 443 NZ LYS A 29 -13.851 -4.196 41.666 1.00 73.52 N ATOM 0 H LYS A 29 -14.484 -2.145 35.522 1.00 41.30 H new ATOM 0 HA LYS A 29 -13.291 -4.024 37.288 1.00 11.31 H new ATOM 0 HB2 LYS A 29 -15.553 -2.227 37.195 1.00 13.40 H new ATOM 0 HB3 LYS A 29 -16.095 -3.797 37.754 1.00 13.40 H new ATOM 0 HG2 LYS A 29 -13.701 -3.355 39.159 1.00 74.43 H new ATOM 0 HG3 LYS A 29 -14.482 -1.786 39.132 1.00 74.43 H new ATOM 0 HD2 LYS A 29 -15.770 -2.495 40.842 1.00 54.40 H new ATOM 0 HD3 LYS A 29 -16.583 -3.551 39.704 1.00 54.40 H new ATOM 0 HE2 LYS A 29 -15.841 -4.913 41.544 1.00 33.14 H new ATOM 0 HE3 LYS A 29 -14.841 -5.312 40.161 1.00 33.14 H new ATOM 0 HZ1 LYS A 29 -13.719 -4.908 42.412 1.00 73.52 H new ATOM 0 HZ2 LYS A 29 -13.022 -4.194 41.038 1.00 73.52 H new ATOM 0 HZ3 LYS A 29 -13.959 -3.257 42.099 1.00 73.52 H new ATOM 457 N ARG A 30 -15.759 -5.095 35.350 1.00 14.42 N ATOM 458 CA ARG A 30 -16.374 -6.295 34.792 1.00 74.43 C ATOM 459 C ARG A 30 -15.368 -7.088 33.960 1.00 51.04 C ATOM 460 O ARG A 30 -15.310 -8.310 34.054 1.00 65.32 O ATOM 461 CB ARG A 30 -17.602 -5.937 33.946 1.00 42.34 C ATOM 462 CG ARG A 30 -17.354 -4.825 32.944 1.00 12.00 C ATOM 463 CD ARG A 30 -18.646 -4.365 32.287 1.00 64.35 C ATOM 464 NE ARG A 30 -19.574 -3.781 33.252 1.00 14.55 N ATOM 465 CZ ARG A 30 -20.519 -4.471 33.890 1.00 44.23 C ATOM 466 NH1 ARG A 30 -20.652 -5.777 33.690 1.00 71.24 N ATOM 467 NH2 ARG A 30 -21.328 -3.849 34.735 1.00 70.40 N ATOM 0 H ARG A 30 -16.159 -4.219 35.012 1.00 14.42 H new ATOM 0 HA ARG A 30 -16.699 -6.920 35.624 1.00 74.43 H new ATOM 0 HB2 ARG A 30 -17.935 -6.827 33.412 1.00 42.34 H new ATOM 0 HB3 ARG A 30 -18.414 -5.641 34.609 1.00 42.34 H new ATOM 0 HG2 ARG A 30 -16.880 -3.981 33.446 1.00 12.00 H new ATOM 0 HG3 ARG A 30 -16.660 -5.172 32.179 1.00 12.00 H new ATOM 0 HD2 ARG A 30 -18.418 -3.631 31.514 1.00 64.35 H new ATOM 0 HD3 ARG A 30 -19.122 -5.212 31.793 1.00 64.35 H new ATOM 0 HE ARG A 30 -19.494 -2.784 33.450 1.00 14.55 H new ATOM 0 HH11 ARG A 30 -20.028 -6.260 33.044 1.00 71.24 H new ATOM 0 HH12 ARG A 30 -21.378 -6.297 34.183 1.00 71.24 H new ATOM 0 HH21 ARG A 30 -21.226 -2.847 34.895 1.00 70.40 H new ATOM 0 HH22 ARG A 30 -22.053 -4.372 35.226 1.00 70.40 H new ATOM 481 N ILE A 31 -14.564 -6.391 33.158 1.00 42.52 N ATOM 482 CA ILE A 31 -13.553 -7.056 32.334 1.00 44.44 C ATOM 483 C ILE A 31 -12.560 -7.766 33.231 1.00 73.55 C ATOM 484 O ILE A 31 -12.369 -8.978 33.148 1.00 62.43 O ATOM 485 CB ILE A 31 -12.789 -6.058 31.441 1.00 54.41 C ATOM 486 CG1 ILE A 31 -13.762 -5.210 30.626 1.00 20.53 C ATOM 487 CG2 ILE A 31 -11.827 -6.792 30.520 1.00 14.54 C ATOM 488 CD1 ILE A 31 -13.235 -3.827 30.339 1.00 24.11 C ATOM 0 H ILE A 31 -14.591 -5.376 33.061 1.00 42.52 H new ATOM 0 HA ILE A 31 -14.070 -7.766 31.688 1.00 44.44 H new ATOM 0 HB ILE A 31 -12.212 -5.396 32.087 1.00 54.41 H new ATOM 0 HG12 ILE A 31 -13.975 -5.715 29.684 1.00 20.53 H new ATOM 0 HG13 ILE A 31 -14.706 -5.129 31.165 1.00 20.53 H new ATOM 0 HG21 ILE A 31 -11.297 -6.071 29.898 1.00 14.54 H new ATOM 0 HG22 ILE A 31 -11.108 -7.353 31.117 1.00 14.54 H new ATOM 0 HG23 ILE A 31 -12.385 -7.479 29.884 1.00 14.54 H new ATOM 0 HD11 ILE A 31 -13.970 -3.271 29.757 1.00 24.11 H new ATOM 0 HD12 ILE A 31 -13.048 -3.307 31.278 1.00 24.11 H new ATOM 0 HD13 ILE A 31 -12.306 -3.902 29.774 1.00 24.11 H new ATOM 500 N TYR A 32 -11.959 -6.991 34.117 1.00 64.50 N ATOM 501 CA TYR A 32 -11.011 -7.518 35.077 1.00 23.32 C ATOM 502 C TYR A 32 -11.685 -8.597 35.930 1.00 71.21 C ATOM 503 O TYR A 32 -11.014 -9.400 36.577 1.00 4.24 O ATOM 504 CB TYR A 32 -10.478 -6.372 35.948 1.00 61.31 C ATOM 505 CG TYR A 32 -10.124 -6.758 37.364 1.00 14.12 C ATOM 506 CD1 TYR A 32 -11.112 -6.894 38.328 1.00 20.14 C ATOM 507 CD2 TYR A 32 -8.805 -6.976 37.732 1.00 54.11 C ATOM 508 CE1 TYR A 32 -10.794 -7.240 39.628 1.00 50.43 C ATOM 509 CE2 TYR A 32 -8.476 -7.321 39.028 1.00 31.22 C ATOM 510 CZ TYR A 32 -9.474 -7.452 39.973 1.00 75.01 C ATOM 511 OH TYR A 32 -9.150 -7.791 41.268 1.00 23.44 O ATOM 0 H TYR A 32 -12.114 -5.986 34.190 1.00 64.50 H new ATOM 0 HA TYR A 32 -10.169 -7.975 34.557 1.00 23.32 H new ATOM 0 HB2 TYR A 32 -9.593 -5.954 35.469 1.00 61.31 H new ATOM 0 HB3 TYR A 32 -11.227 -5.581 35.980 1.00 61.31 H new ATOM 0 HD1 TYR A 32 -12.145 -6.727 38.059 1.00 20.14 H new ATOM 0 HD2 TYR A 32 -8.023 -6.874 36.994 1.00 54.11 H new ATOM 0 HE1 TYR A 32 -11.573 -7.344 40.369 1.00 50.43 H new ATOM 0 HE2 TYR A 32 -7.444 -7.487 39.301 1.00 31.22 H new ATOM 0 HH TYR A 32 -8.180 -7.906 41.343 1.00 23.44 H new ATOM 521 N ASN A 33 -13.022 -8.594 35.934 1.00 73.34 N ATOM 522 CA ASN A 33 -13.787 -9.561 36.719 1.00 54.32 C ATOM 523 C ASN A 33 -14.142 -10.822 35.922 1.00 71.34 C ATOM 524 O ASN A 33 -13.717 -11.924 36.269 1.00 44.01 O ATOM 525 CB ASN A 33 -15.068 -8.911 37.242 1.00 0.31 C ATOM 526 CG ASN A 33 -14.886 -8.280 38.608 1.00 15.51 C ATOM 527 OD1 ASN A 33 -13.895 -8.529 39.293 1.00 33.41 O ATOM 528 ND2 ASN A 33 -15.848 -7.460 39.013 1.00 61.25 N ATOM 0 H ASN A 33 -13.592 -7.935 35.404 1.00 73.34 H new ATOM 0 HA ASN A 33 -13.152 -9.868 37.550 1.00 54.32 H new ATOM 0 HB2 ASN A 33 -15.399 -8.150 36.536 1.00 0.31 H new ATOM 0 HB3 ASN A 33 -15.857 -9.662 37.295 1.00 0.31 H new ATOM 0 HD21 ASN A 33 -15.782 -7.008 39.925 1.00 61.25 H new ATOM 0 HD22 ASN A 33 -16.653 -7.282 38.412 1.00 61.25 H new ATOM 535 N GLU A 34 -14.954 -10.660 34.877 1.00 11.44 N ATOM 536 CA GLU A 34 -15.398 -11.794 34.063 1.00 12.01 C ATOM 537 C GLU A 34 -14.526 -12.019 32.828 1.00 33.04 C ATOM 538 O GLU A 34 -14.632 -13.056 32.176 1.00 14.34 O ATOM 539 CB GLU A 34 -16.848 -11.585 33.621 1.00 14.34 C ATOM 540 CG GLU A 34 -17.776 -11.150 34.743 1.00 71.44 C ATOM 541 CD GLU A 34 -18.599 -12.295 35.296 1.00 43.43 C ATOM 542 OE1 GLU A 34 -18.046 -13.105 36.068 1.00 51.51 O ATOM 543 OE2 GLU A 34 -19.797 -12.383 34.958 1.00 60.04 O ATOM 0 H GLU A 34 -15.318 -9.757 34.574 1.00 11.44 H new ATOM 0 HA GLU A 34 -15.312 -12.681 34.691 1.00 12.01 H new ATOM 0 HB2 GLU A 34 -16.872 -10.835 32.831 1.00 14.34 H new ATOM 0 HB3 GLU A 34 -17.224 -12.513 33.191 1.00 14.34 H new ATOM 0 HG2 GLU A 34 -17.186 -10.710 35.547 1.00 71.44 H new ATOM 0 HG3 GLU A 34 -18.444 -10.372 34.375 1.00 71.44 H new ATOM 550 N ILE A 35 -13.669 -11.060 32.501 1.00 41.23 N ATOM 551 CA ILE A 35 -12.802 -11.194 31.336 1.00 15.01 C ATOM 552 C ILE A 35 -11.354 -11.426 31.755 1.00 22.10 C ATOM 553 O ILE A 35 -10.600 -10.479 31.981 1.00 72.42 O ATOM 554 CB ILE A 35 -12.886 -9.953 30.417 1.00 65.24 C ATOM 555 CG1 ILE A 35 -14.329 -9.724 29.957 1.00 43.31 C ATOM 556 CG2 ILE A 35 -11.963 -10.103 29.212 1.00 51.33 C ATOM 557 CD1 ILE A 35 -15.038 -10.989 29.522 1.00 44.35 C ATOM 0 H ILE A 35 -13.555 -10.189 33.020 1.00 41.23 H new ATOM 0 HA ILE A 35 -13.153 -12.061 30.776 1.00 15.01 H new ATOM 0 HB ILE A 35 -12.560 -9.085 30.990 1.00 65.24 H new ATOM 0 HG12 ILE A 35 -14.891 -9.264 30.770 1.00 43.31 H new ATOM 0 HG13 ILE A 35 -14.329 -9.015 29.129 1.00 43.31 H new ATOM 0 HG21 ILE A 35 -12.041 -9.217 28.582 1.00 51.33 H new ATOM 0 HG22 ILE A 35 -10.934 -10.216 29.554 1.00 51.33 H new ATOM 0 HG23 ILE A 35 -12.254 -10.983 28.638 1.00 51.33 H new ATOM 0 HD11 ILE A 35 -16.054 -10.748 29.210 1.00 44.35 H new ATOM 0 HD12 ILE A 35 -14.500 -11.439 28.688 1.00 44.35 H new ATOM 0 HD13 ILE A 35 -15.071 -11.692 30.354 1.00 44.35 H new ATOM 569 N SER A 36 -10.973 -12.696 31.852 1.00 32.24 N ATOM 570 CA SER A 36 -9.616 -13.062 32.237 1.00 70.31 C ATOM 571 C SER A 36 -8.604 -12.513 31.236 1.00 1.11 C ATOM 572 O SER A 36 -8.972 -11.829 30.280 1.00 2.44 O ATOM 573 CB SER A 36 -9.483 -14.583 32.336 1.00 53.15 C ATOM 574 OG SER A 36 -10.121 -15.223 31.245 1.00 41.34 O ATOM 0 H SER A 36 -11.587 -13.490 31.669 1.00 32.24 H new ATOM 0 HA SER A 36 -9.409 -12.625 33.214 1.00 70.31 H new ATOM 0 HB2 SER A 36 -8.429 -14.858 32.357 1.00 53.15 H new ATOM 0 HB3 SER A 36 -9.922 -14.929 33.272 1.00 53.15 H new ATOM 0 HG SER A 36 -11.068 -14.973 31.227 1.00 41.34 H new ATOM 580 N LYS A 37 -7.330 -12.813 31.460 1.00 42.00 N ATOM 581 CA LYS A 37 -6.267 -12.346 30.577 1.00 52.25 C ATOM 582 C LYS A 37 -6.347 -13.021 29.210 1.00 52.31 C ATOM 583 O LYS A 37 -5.991 -12.425 28.193 1.00 14.05 O ATOM 584 CB LYS A 37 -4.899 -12.613 31.210 1.00 71.22 C ATOM 585 CG LYS A 37 -4.524 -11.620 32.298 1.00 2.54 C ATOM 586 CD LYS A 37 -3.096 -11.829 32.775 1.00 32.52 C ATOM 587 CE LYS A 37 -2.708 -10.811 33.835 1.00 55.32 C ATOM 588 NZ LYS A 37 -2.854 -11.359 35.212 1.00 43.10 N ATOM 0 H LYS A 37 -7.008 -13.378 32.246 1.00 42.00 H new ATOM 0 HA LYS A 37 -6.396 -11.273 30.436 1.00 52.25 H new ATOM 0 HB2 LYS A 37 -4.893 -13.619 31.631 1.00 71.22 H new ATOM 0 HB3 LYS A 37 -4.137 -12.589 30.431 1.00 71.22 H new ATOM 0 HG2 LYS A 37 -4.637 -10.604 31.920 1.00 2.54 H new ATOM 0 HG3 LYS A 37 -5.209 -11.725 33.140 1.00 2.54 H new ATOM 0 HD2 LYS A 37 -2.990 -12.836 33.180 1.00 32.52 H new ATOM 0 HD3 LYS A 37 -2.414 -11.752 31.928 1.00 32.52 H new ATOM 0 HE2 LYS A 37 -1.676 -10.498 33.677 1.00 55.32 H new ATOM 0 HE3 LYS A 37 -3.331 -9.923 33.730 1.00 55.32 H new ATOM 0 HZ1 LYS A 37 -3.166 -10.604 35.855 1.00 43.10 H new ATOM 0 HZ2 LYS A 37 -3.559 -12.124 35.208 1.00 43.10 H new ATOM 0 HZ3 LYS A 37 -1.939 -11.733 35.536 1.00 43.10 H new ATOM 602 N GLU A 38 -6.812 -14.267 29.192 1.00 41.40 N ATOM 603 CA GLU A 38 -6.933 -15.017 27.945 1.00 54.20 C ATOM 604 C GLU A 38 -7.903 -14.333 26.985 1.00 31.43 C ATOM 605 O GLU A 38 -7.614 -14.188 25.796 1.00 60.21 O ATOM 606 CB GLU A 38 -7.395 -16.448 28.228 1.00 41.40 C ATOM 607 CG GLU A 38 -6.627 -17.499 27.443 1.00 62.41 C ATOM 608 CD GLU A 38 -7.264 -18.873 27.528 1.00 30.14 C ATOM 609 OE1 GLU A 38 -8.427 -19.015 27.097 1.00 54.15 O ATOM 610 OE2 GLU A 38 -6.598 -19.805 28.025 1.00 72.33 O ATOM 0 H GLU A 38 -7.110 -14.777 30.023 1.00 41.40 H new ATOM 0 HA GLU A 38 -5.951 -15.047 27.474 1.00 54.20 H new ATOM 0 HB2 GLU A 38 -7.289 -16.652 29.293 1.00 41.40 H new ATOM 0 HB3 GLU A 38 -8.456 -16.532 27.992 1.00 41.40 H new ATOM 0 HG2 GLU A 38 -6.567 -17.195 26.398 1.00 62.41 H new ATOM 0 HG3 GLU A 38 -5.605 -17.553 27.819 1.00 62.41 H new ATOM 617 N ALA A 39 -9.048 -13.910 27.509 1.00 51.41 N ATOM 618 CA ALA A 39 -10.057 -13.237 26.699 1.00 63.44 C ATOM 619 C ALA A 39 -9.622 -11.817 26.366 1.00 13.12 C ATOM 620 O ALA A 39 -9.861 -11.325 25.262 1.00 44.04 O ATOM 621 CB ALA A 39 -11.393 -13.224 27.423 1.00 12.31 C ATOM 0 H ALA A 39 -9.301 -14.021 28.491 1.00 51.41 H new ATOM 0 HA ALA A 39 -10.170 -13.788 25.765 1.00 63.44 H new ATOM 0 HB1 ALA A 39 -12.136 -12.718 26.806 1.00 12.31 H new ATOM 0 HB2 ALA A 39 -11.714 -14.248 27.612 1.00 12.31 H new ATOM 0 HB3 ALA A 39 -11.288 -12.696 28.371 1.00 12.31 H new ATOM 627 N TRP A 40 -8.984 -11.161 27.327 1.00 21.45 N ATOM 628 CA TRP A 40 -8.514 -9.795 27.139 1.00 64.40 C ATOM 629 C TRP A 40 -7.487 -9.725 26.016 1.00 11.24 C ATOM 630 O TRP A 40 -7.408 -8.731 25.294 1.00 3.30 O ATOM 631 CB TRP A 40 -7.906 -9.263 28.437 1.00 22.34 C ATOM 632 CG TRP A 40 -7.584 -7.801 28.388 1.00 24.04 C ATOM 633 CD1 TRP A 40 -6.356 -7.228 28.542 1.00 14.34 C ATOM 634 CD2 TRP A 40 -8.505 -6.726 28.170 1.00 71.33 C ATOM 635 NE1 TRP A 40 -6.456 -5.861 28.436 1.00 2.03 N ATOM 636 CE2 TRP A 40 -7.766 -5.529 28.207 1.00 22.04 C ATOM 637 CE3 TRP A 40 -9.882 -6.662 27.949 1.00 10.53 C ATOM 638 CZ2 TRP A 40 -8.361 -4.281 28.032 1.00 13.34 C ATOM 639 CZ3 TRP A 40 -10.471 -5.425 27.774 1.00 12.25 C ATOM 640 CH2 TRP A 40 -9.711 -4.248 27.816 1.00 72.40 C ATOM 0 H TRP A 40 -8.780 -11.554 28.246 1.00 21.45 H new ATOM 0 HA TRP A 40 -9.368 -9.175 26.865 1.00 64.40 H new ATOM 0 HB2 TRP A 40 -8.600 -9.447 29.257 1.00 22.34 H new ATOM 0 HB3 TRP A 40 -6.996 -9.821 28.658 1.00 22.34 H new ATOM 0 HD1 TRP A 40 -5.439 -7.769 28.721 1.00 14.34 H new ATOM 0 HE1 TRP A 40 -5.682 -5.202 28.515 1.00 2.03 H new ATOM 0 HE3 TRP A 40 -10.476 -7.563 27.915 1.00 10.53 H new ATOM 0 HZ2 TRP A 40 -7.777 -3.373 28.066 1.00 13.34 H new ATOM 0 HZ3 TRP A 40 -11.535 -5.364 27.602 1.00 12.25 H new ATOM 0 HH2 TRP A 40 -10.201 -3.296 27.675 1.00 72.40 H new ATOM 651 N ALA A 41 -6.703 -10.788 25.871 1.00 22.20 N ATOM 652 CA ALA A 41 -5.680 -10.846 24.833 1.00 53.14 C ATOM 653 C ALA A 41 -6.310 -10.924 23.446 1.00 42.33 C ATOM 654 O ALA A 41 -5.722 -10.476 22.462 1.00 53.05 O ATOM 655 CB ALA A 41 -4.753 -12.031 25.069 1.00 23.01 C ATOM 0 H ALA A 41 -6.756 -11.620 26.458 1.00 22.20 H new ATOM 0 HA ALA A 41 -5.093 -9.929 24.883 1.00 53.14 H new ATOM 0 HB1 ALA A 41 -3.995 -12.061 24.286 1.00 23.01 H new ATOM 0 HB2 ALA A 41 -4.269 -11.926 26.040 1.00 23.01 H new ATOM 0 HB3 ALA A 41 -5.331 -12.955 25.050 1.00 23.01 H new ATOM 661 N GLN A 42 -7.516 -11.480 23.376 1.00 45.32 N ATOM 662 CA GLN A 42 -8.227 -11.597 22.109 1.00 24.31 C ATOM 663 C GLN A 42 -8.828 -10.252 21.723 1.00 23.11 C ATOM 664 O GLN A 42 -8.904 -9.905 20.543 1.00 73.11 O ATOM 665 CB GLN A 42 -9.328 -12.655 22.208 1.00 64.34 C ATOM 666 CG GLN A 42 -8.853 -13.983 22.774 1.00 12.21 C ATOM 667 CD GLN A 42 -9.547 -15.171 22.135 1.00 5.23 C ATOM 668 OE1 GLN A 42 -10.387 -15.008 21.249 1.00 75.14 O ATOM 669 NE2 GLN A 42 -9.202 -16.372 22.583 1.00 44.42 N ATOM 0 H GLN A 42 -8.019 -11.855 24.180 1.00 45.32 H new ATOM 0 HA GLN A 42 -7.519 -11.905 21.340 1.00 24.31 H new ATOM 0 HB2 GLN A 42 -10.133 -12.271 22.834 1.00 64.34 H new ATOM 0 HB3 GLN A 42 -9.748 -12.823 21.216 1.00 64.34 H new ATOM 0 HG2 GLN A 42 -7.777 -14.073 22.626 1.00 12.21 H new ATOM 0 HG3 GLN A 42 -9.029 -13.999 23.850 1.00 12.21 H new ATOM 0 HE21 GLN A 42 -8.501 -16.460 23.319 1.00 44.42 H new ATOM 0 HE22 GLN A 42 -9.638 -17.207 22.191 1.00 44.42 H new ATOM 678 N TRP A 43 -9.243 -9.491 22.731 1.00 55.12 N ATOM 679 CA TRP A 43 -9.826 -8.176 22.508 1.00 54.33 C ATOM 680 C TRP A 43 -8.750 -7.196 22.051 1.00 32.20 C ATOM 681 O TRP A 43 -8.915 -6.499 21.049 1.00 45.45 O ATOM 682 CB TRP A 43 -10.504 -7.671 23.789 1.00 21.24 C ATOM 683 CG TRP A 43 -10.672 -6.181 23.838 1.00 14.31 C ATOM 684 CD1 TRP A 43 -10.086 -5.321 24.722 1.00 42.10 C ATOM 685 CD2 TRP A 43 -11.472 -5.375 22.964 1.00 45.21 C ATOM 686 NE1 TRP A 43 -10.475 -4.032 24.455 1.00 3.05 N ATOM 687 CE2 TRP A 43 -11.327 -4.039 23.383 1.00 43.44 C ATOM 688 CE3 TRP A 43 -12.298 -5.649 21.869 1.00 21.12 C ATOM 689 CZ2 TRP A 43 -11.976 -2.984 22.749 1.00 41.34 C ATOM 690 CZ3 TRP A 43 -12.941 -4.599 21.239 1.00 23.33 C ATOM 691 CH2 TRP A 43 -12.776 -3.280 21.681 1.00 23.41 C ATOM 0 H TRP A 43 -9.185 -9.765 23.712 1.00 55.12 H new ATOM 0 HA TRP A 43 -10.581 -8.253 21.726 1.00 54.33 H new ATOM 0 HB2 TRP A 43 -11.483 -8.141 23.880 1.00 21.24 H new ATOM 0 HB3 TRP A 43 -9.916 -7.990 24.650 1.00 21.24 H new ATOM 0 HD1 TRP A 43 -9.414 -5.613 25.516 1.00 42.10 H new ATOM 0 HE1 TRP A 43 -10.178 -3.204 24.971 1.00 3.05 H new ATOM 0 HE3 TRP A 43 -12.431 -6.663 21.522 1.00 21.12 H new ATOM 0 HZ2 TRP A 43 -11.852 -1.966 23.089 1.00 41.34 H new ATOM 0 HZ3 TRP A 43 -13.581 -4.799 20.392 1.00 23.33 H new ATOM 0 HH2 TRP A 43 -13.291 -2.481 21.168 1.00 23.41 H new ATOM 702 N GLN A 44 -7.644 -7.151 22.790 1.00 51.52 N ATOM 703 CA GLN A 44 -6.538 -6.262 22.456 1.00 3.30 C ATOM 704 C GLN A 44 -6.113 -6.465 21.006 1.00 74.45 C ATOM 705 O GLN A 44 -5.793 -5.510 20.299 1.00 32.54 O ATOM 706 CB GLN A 44 -5.353 -6.503 23.393 1.00 73.54 C ATOM 707 CG GLN A 44 -5.705 -6.369 24.866 1.00 4.42 C ATOM 708 CD GLN A 44 -5.464 -4.971 25.404 1.00 41.44 C ATOM 709 OE1 GLN A 44 -4.396 -4.676 25.941 1.00 2.02 O ATOM 710 NE2 GLN A 44 -6.458 -4.101 25.262 1.00 2.33 N ATOM 0 H GLN A 44 -7.491 -7.720 23.623 1.00 51.52 H new ATOM 0 HA GLN A 44 -6.875 -5.233 22.581 1.00 3.30 H new ATOM 0 HB2 GLN A 44 -4.955 -7.502 23.212 1.00 73.54 H new ATOM 0 HB3 GLN A 44 -4.560 -5.795 23.152 1.00 73.54 H new ATOM 0 HG2 GLN A 44 -6.753 -6.633 25.010 1.00 4.42 H new ATOM 0 HG3 GLN A 44 -5.115 -7.082 25.442 1.00 4.42 H new ATOM 0 HE21 GLN A 44 -7.326 -4.388 24.811 1.00 2.33 H new ATOM 0 HE22 GLN A 44 -6.353 -3.146 25.604 1.00 2.33 H new ATOM 719 N HIS A 45 -6.129 -7.720 20.570 1.00 5.13 N ATOM 720 CA HIS A 45 -5.764 -8.059 19.202 1.00 12.51 C ATOM 721 C HIS A 45 -6.758 -7.439 18.224 1.00 52.13 C ATOM 722 O HIS A 45 -6.400 -7.070 17.106 1.00 22.04 O ATOM 723 CB HIS A 45 -5.727 -9.581 19.026 1.00 61.45 C ATOM 724 CG HIS A 45 -5.633 -10.027 17.599 1.00 44.53 C ATOM 725 ND1 HIS A 45 -4.463 -10.473 17.023 1.00 20.33 N ATOM 726 CD2 HIS A 45 -6.576 -10.096 16.631 1.00 31.41 C ATOM 727 CE1 HIS A 45 -4.688 -10.795 15.762 1.00 42.21 C ATOM 728 NE2 HIS A 45 -5.964 -10.577 15.499 1.00 45.21 N ATOM 0 H HIS A 45 -6.392 -8.520 21.146 1.00 5.13 H new ATOM 0 HA HIS A 45 -4.772 -7.659 18.994 1.00 12.51 H new ATOM 0 HB2 HIS A 45 -4.875 -9.980 19.577 1.00 61.45 H new ATOM 0 HB3 HIS A 45 -6.624 -10.010 19.472 1.00 61.45 H new ATOM 0 HD2 HIS A 45 -7.616 -9.824 16.730 1.00 31.41 H new ATOM 0 HE1 HIS A 45 -3.954 -11.172 15.065 1.00 42.21 H new ATOM 0 HE2 HIS A 45 -6.421 -10.739 14.601 1.00 45.21 H new ATOM 736 N LYS A 46 -8.008 -7.326 18.660 1.00 55.53 N ATOM 737 CA LYS A 46 -9.061 -6.749 17.835 1.00 40.11 C ATOM 738 C LYS A 46 -9.117 -5.232 18.010 1.00 73.41 C ATOM 739 O LYS A 46 -9.564 -4.512 17.117 1.00 51.20 O ATOM 740 CB LYS A 46 -10.412 -7.377 18.193 1.00 2.14 C ATOM 741 CG LYS A 46 -11.582 -6.812 17.403 1.00 34.23 C ATOM 742 CD LYS A 46 -11.945 -7.705 16.227 1.00 13.22 C ATOM 743 CE LYS A 46 -12.712 -6.935 15.163 1.00 12.15 C ATOM 744 NZ LYS A 46 -12.574 -7.556 13.816 1.00 74.13 N ATOM 0 H LYS A 46 -8.317 -7.628 19.584 1.00 55.53 H new ATOM 0 HA LYS A 46 -8.837 -6.963 16.790 1.00 40.11 H new ATOM 0 HB2 LYS A 46 -10.358 -8.453 18.024 1.00 2.14 H new ATOM 0 HB3 LYS A 46 -10.600 -7.230 19.257 1.00 2.14 H new ATOM 0 HG2 LYS A 46 -12.446 -6.703 18.059 1.00 34.23 H new ATOM 0 HG3 LYS A 46 -11.330 -5.816 17.040 1.00 34.23 H new ATOM 0 HD2 LYS A 46 -11.037 -8.124 15.792 1.00 13.22 H new ATOM 0 HD3 LYS A 46 -12.547 -8.543 16.577 1.00 13.22 H new ATOM 0 HE2 LYS A 46 -13.766 -6.892 15.436 1.00 12.15 H new ATOM 0 HE3 LYS A 46 -12.350 -5.908 15.127 1.00 12.15 H new ATOM 0 HZ1 LYS A 46 -13.139 -7.020 13.127 1.00 74.13 H new ATOM 0 HZ2 LYS A 46 -11.575 -7.543 13.529 1.00 74.13 H new ATOM 0 HZ3 LYS A 46 -12.912 -8.539 13.851 1.00 74.13 H new ATOM 758 N GLN A 47 -8.654 -4.749 19.158 1.00 52.34 N ATOM 759 CA GLN A 47 -8.648 -3.317 19.432 1.00 41.35 C ATOM 760 C GLN A 47 -7.788 -2.584 18.403 1.00 55.42 C ATOM 761 O GLN A 47 -8.226 -1.611 17.791 1.00 61.23 O ATOM 762 CB GLN A 47 -8.133 -3.045 20.856 1.00 50.34 C ATOM 763 CG GLN A 47 -7.599 -1.634 21.068 1.00 75.45 C ATOM 764 CD GLN A 47 -7.004 -1.425 22.449 1.00 54.04 C ATOM 765 OE1 GLN A 47 -6.000 -0.726 22.603 1.00 60.30 O ATOM 766 NE2 GLN A 47 -7.615 -2.028 23.464 1.00 24.34 N ATOM 0 H GLN A 47 -8.279 -5.326 19.911 1.00 52.34 H new ATOM 0 HA GLN A 47 -9.670 -2.944 19.358 1.00 41.35 H new ATOM 0 HB2 GLN A 47 -8.942 -3.225 21.564 1.00 50.34 H new ATOM 0 HB3 GLN A 47 -7.343 -3.759 21.087 1.00 50.34 H new ATOM 0 HG2 GLN A 47 -6.839 -1.422 20.316 1.00 75.45 H new ATOM 0 HG3 GLN A 47 -8.407 -0.919 20.915 1.00 75.45 H new ATOM 0 HE21 GLN A 47 -8.444 -2.598 23.294 1.00 24.34 H new ATOM 0 HE22 GLN A 47 -7.255 -1.921 24.412 1.00 24.34 H new ATOM 775 N THR A 48 -6.559 -3.060 18.223 1.00 2.31 N ATOM 776 CA THR A 48 -5.628 -2.451 17.277 1.00 41.14 C ATOM 777 C THR A 48 -6.276 -2.240 15.910 1.00 32.32 C ATOM 778 O THR A 48 -6.109 -1.187 15.294 1.00 11.51 O ATOM 779 CB THR A 48 -4.376 -3.318 17.131 1.00 74.14 C ATOM 780 OG1 THR A 48 -3.364 -2.618 16.429 1.00 65.15 O ATOM 781 CG2 THR A 48 -4.625 -4.621 16.401 1.00 22.44 C ATOM 0 H THR A 48 -6.184 -3.867 18.721 1.00 2.31 H new ATOM 0 HA THR A 48 -5.347 -1.475 17.672 1.00 41.14 H new ATOM 0 HB THR A 48 -4.066 -3.549 18.150 1.00 74.14 H new ATOM 0 HG1 THR A 48 -2.570 -3.187 16.346 1.00 65.15 H new ATOM 0 HG21 THR A 48 -3.694 -5.184 16.334 1.00 22.44 H new ATOM 0 HG22 THR A 48 -5.366 -5.207 16.945 1.00 22.44 H new ATOM 0 HG23 THR A 48 -4.995 -4.411 15.397 1.00 22.44 H new ATOM 789 N MET A 49 -7.010 -3.243 15.439 1.00 63.31 N ATOM 790 CA MET A 49 -7.672 -3.154 14.144 1.00 24.21 C ATOM 791 C MET A 49 -8.938 -2.311 14.238 1.00 40.42 C ATOM 792 O MET A 49 -9.274 -1.573 13.311 1.00 5.35 O ATOM 793 CB MET A 49 -8.000 -4.553 13.606 1.00 25.43 C ATOM 794 CG MET A 49 -8.687 -5.458 14.615 1.00 13.45 C ATOM 795 SD MET A 49 -9.221 -7.021 13.887 1.00 74.20 S ATOM 796 CE MET A 49 -7.922 -8.116 14.455 1.00 41.13 C ATOM 0 H MET A 49 -7.161 -4.123 15.933 1.00 63.31 H new ATOM 0 HA MET A 49 -6.988 -2.668 13.449 1.00 24.21 H new ATOM 0 HB2 MET A 49 -8.639 -4.453 12.729 1.00 25.43 H new ATOM 0 HB3 MET A 49 -7.077 -5.029 13.275 1.00 25.43 H new ATOM 0 HG2 MET A 49 -8.005 -5.659 15.441 1.00 13.45 H new ATOM 0 HG3 MET A 49 -9.551 -4.941 15.033 1.00 13.45 H new ATOM 0 HE1 MET A 49 -7.555 -8.710 13.618 1.00 41.13 H new ATOM 0 HE2 MET A 49 -7.104 -7.526 14.868 1.00 41.13 H new ATOM 0 HE3 MET A 49 -8.316 -8.779 15.225 1.00 41.13 H new ATOM 806 N LEU A 50 -9.631 -2.412 15.367 1.00 10.12 N ATOM 807 CA LEU A 50 -10.852 -1.645 15.582 1.00 72.50 C ATOM 808 C LEU A 50 -10.549 -0.151 15.601 1.00 24.05 C ATOM 809 O LEU A 50 -11.376 0.662 15.204 1.00 31.33 O ATOM 810 CB LEU A 50 -11.521 -2.056 16.896 1.00 35.02 C ATOM 811 CG LEU A 50 -12.437 -3.278 16.808 1.00 62.32 C ATOM 812 CD1 LEU A 50 -12.968 -3.643 18.185 1.00 23.33 C ATOM 813 CD2 LEU A 50 -13.586 -3.020 15.846 1.00 64.03 C ATOM 0 H LEU A 50 -9.369 -3.016 16.146 1.00 10.12 H new ATOM 0 HA LEU A 50 -11.534 -1.856 14.758 1.00 72.50 H new ATOM 0 HB2 LEU A 50 -10.744 -2.257 17.633 1.00 35.02 H new ATOM 0 HB3 LEU A 50 -12.102 -1.212 17.268 1.00 35.02 H new ATOM 0 HG LEU A 50 -11.854 -4.117 16.427 1.00 62.32 H new ATOM 0 HD11 LEU A 50 -13.618 -4.514 18.105 1.00 23.33 H new ATOM 0 HD12 LEU A 50 -12.134 -3.872 18.848 1.00 23.33 H new ATOM 0 HD13 LEU A 50 -13.534 -2.804 18.591 1.00 23.33 H new ATOM 0 HD21 LEU A 50 -14.225 -3.901 15.798 1.00 64.03 H new ATOM 0 HD22 LEU A 50 -14.169 -2.168 16.195 1.00 64.03 H new ATOM 0 HD23 LEU A 50 -13.189 -2.806 14.854 1.00 64.03 H new ATOM 825 N ILE A 51 -9.356 0.200 16.067 1.00 21.21 N ATOM 826 CA ILE A 51 -8.942 1.598 16.140 1.00 51.32 C ATOM 827 C ILE A 51 -8.399 2.082 14.798 1.00 51.43 C ATOM 828 O ILE A 51 -8.754 3.163 14.329 1.00 23.00 O ATOM 829 CB ILE A 51 -7.880 1.799 17.245 1.00 73.01 C ATOM 830 CG1 ILE A 51 -8.468 1.405 18.600 1.00 34.51 C ATOM 831 CG2 ILE A 51 -7.374 3.239 17.278 1.00 5.23 C ATOM 832 CD1 ILE A 51 -7.501 1.558 19.752 1.00 32.24 C ATOM 0 H ILE A 51 -8.657 -0.464 16.400 1.00 21.21 H new ATOM 0 HA ILE A 51 -9.823 2.190 16.389 1.00 51.32 H new ATOM 0 HB ILE A 51 -7.027 1.159 17.022 1.00 73.01 H new ATOM 0 HG12 ILE A 51 -9.350 2.016 18.794 1.00 34.51 H new ATOM 0 HG13 ILE A 51 -8.802 0.368 18.553 1.00 34.51 H new ATOM 0 HG21 ILE A 51 -6.629 3.345 18.066 1.00 5.23 H new ATOM 0 HG22 ILE A 51 -6.924 3.489 16.317 1.00 5.23 H new ATOM 0 HG23 ILE A 51 -8.208 3.913 17.474 1.00 5.23 H new ATOM 0 HD11 ILE A 51 -7.990 1.260 20.679 1.00 32.24 H new ATOM 0 HD12 ILE A 51 -6.629 0.926 19.582 1.00 32.24 H new ATOM 0 HD13 ILE A 51 -7.186 2.599 19.827 1.00 32.24 H new ATOM 844 N ASN A 52 -7.535 1.279 14.189 1.00 53.30 N ATOM 845 CA ASN A 52 -6.940 1.631 12.906 1.00 52.52 C ATOM 846 C ASN A 52 -7.964 1.553 11.775 1.00 23.31 C ATOM 847 O ASN A 52 -7.838 2.244 10.763 1.00 63.50 O ATOM 848 CB ASN A 52 -5.760 0.707 12.602 1.00 74.33 C ATOM 849 CG ASN A 52 -4.452 1.241 13.153 1.00 12.23 C ATOM 850 OD1 ASN A 52 -3.709 1.935 12.459 1.00 63.13 O ATOM 851 ND2 ASN A 52 -4.162 0.917 14.407 1.00 75.53 N ATOM 0 H ASN A 52 -7.231 0.380 14.563 1.00 53.30 H new ATOM 0 HA ASN A 52 -6.588 2.660 12.973 1.00 52.52 H new ATOM 0 HB2 ASN A 52 -5.955 -0.278 13.026 1.00 74.33 H new ATOM 0 HB3 ASN A 52 -5.671 0.578 11.523 1.00 74.33 H new ATOM 0 HD21 ASN A 52 -3.295 1.246 14.831 1.00 75.53 H new ATOM 0 HD22 ASN A 52 -4.807 0.339 14.947 1.00 75.53 H new ATOM 858 N GLU A 53 -8.974 0.704 11.946 1.00 22.35 N ATOM 859 CA GLU A 53 -10.011 0.535 10.931 1.00 2.12 C ATOM 860 C GLU A 53 -11.128 1.562 11.096 1.00 0.01 C ATOM 861 O GLU A 53 -11.469 2.277 10.153 1.00 44.44 O ATOM 862 CB GLU A 53 -10.591 -0.878 10.995 1.00 54.44 C ATOM 863 CG GLU A 53 -11.368 -1.272 9.749 1.00 72.53 C ATOM 864 CD GLU A 53 -12.035 -2.627 9.881 1.00 60.14 C ATOM 865 OE1 GLU A 53 -13.153 -2.686 10.436 1.00 64.12 O ATOM 866 OE2 GLU A 53 -11.440 -3.628 9.431 1.00 3.25 O ATOM 0 H GLU A 53 -9.097 0.123 12.776 1.00 22.35 H new ATOM 0 HA GLU A 53 -9.548 0.692 9.957 1.00 2.12 H new ATOM 0 HB2 GLU A 53 -9.779 -1.589 11.147 1.00 54.44 H new ATOM 0 HB3 GLU A 53 -11.247 -0.954 11.862 1.00 54.44 H new ATOM 0 HG2 GLU A 53 -12.126 -0.516 9.544 1.00 72.53 H new ATOM 0 HG3 GLU A 53 -10.693 -1.286 8.894 1.00 72.53 H new ATOM 873 N LYS A 54 -11.702 1.629 12.294 1.00 2.21 N ATOM 874 CA LYS A 54 -12.787 2.567 12.571 1.00 51.31 C ATOM 875 C LYS A 54 -12.265 3.995 12.718 1.00 13.10 C ATOM 876 O LYS A 54 -13.046 4.936 12.856 1.00 20.24 O ATOM 877 CB LYS A 54 -13.538 2.165 13.842 1.00 24.31 C ATOM 878 CG LYS A 54 -14.459 0.969 13.657 1.00 71.11 C ATOM 879 CD LYS A 54 -13.714 -0.345 13.832 1.00 44.52 C ATOM 880 CE LYS A 54 -14.356 -1.464 13.027 1.00 52.22 C ATOM 881 NZ LYS A 54 -15.655 -1.896 13.611 1.00 54.31 N ATOM 0 H LYS A 54 -11.435 1.046 13.087 1.00 2.21 H new ATOM 0 HA LYS A 54 -13.470 2.532 11.722 1.00 51.31 H new ATOM 0 HB2 LYS A 54 -12.814 1.937 14.624 1.00 24.31 H new ATOM 0 HB3 LYS A 54 -14.126 3.014 14.190 1.00 24.31 H new ATOM 0 HG2 LYS A 54 -15.276 1.023 14.377 1.00 71.11 H new ATOM 0 HG3 LYS A 54 -14.907 1.004 12.664 1.00 71.11 H new ATOM 0 HD2 LYS A 54 -12.677 -0.220 13.520 1.00 44.52 H new ATOM 0 HD3 LYS A 54 -13.699 -0.618 14.887 1.00 44.52 H new ATOM 0 HE2 LYS A 54 -14.513 -1.129 12.002 1.00 52.22 H new ATOM 0 HE3 LYS A 54 -13.677 -2.315 12.984 1.00 52.22 H new ATOM 0 HZ1 LYS A 54 -15.804 -2.907 13.417 1.00 54.31 H new ATOM 0 HZ2 LYS A 54 -15.643 -1.738 14.639 1.00 54.31 H new ATOM 0 HZ3 LYS A 54 -16.427 -1.345 13.185 1.00 54.31 H new ATOM 895 N LYS A 55 -10.945 4.151 12.693 1.00 43.42 N ATOM 896 CA LYS A 55 -10.328 5.464 12.827 1.00 74.11 C ATOM 897 C LYS A 55 -10.564 6.036 14.220 1.00 31.21 C ATOM 898 O LYS A 55 -11.160 7.104 14.371 1.00 5.25 O ATOM 899 CB LYS A 55 -10.868 6.427 11.766 1.00 72.23 C ATOM 900 CG LYS A 55 -10.740 5.905 10.343 1.00 12.00 C ATOM 901 CD LYS A 55 -9.294 5.600 9.986 1.00 1.15 C ATOM 902 CE LYS A 55 -8.661 6.739 9.203 1.00 24.22 C ATOM 903 NZ LYS A 55 -8.538 7.975 10.024 1.00 61.25 N ATOM 0 H LYS A 55 -10.283 3.383 12.581 1.00 43.42 H new ATOM 0 HA LYS A 55 -9.255 5.345 12.678 1.00 74.11 H new ATOM 0 HB2 LYS A 55 -11.918 6.632 11.975 1.00 72.23 H new ATOM 0 HB3 LYS A 55 -10.336 7.375 11.845 1.00 72.23 H new ATOM 0 HG2 LYS A 55 -11.341 5.003 10.231 1.00 12.00 H new ATOM 0 HG3 LYS A 55 -11.139 6.643 9.647 1.00 12.00 H new ATOM 0 HD2 LYS A 55 -8.723 5.422 10.897 1.00 1.15 H new ATOM 0 HD3 LYS A 55 -9.249 4.684 9.398 1.00 1.15 H new ATOM 0 HE2 LYS A 55 -7.674 6.435 8.854 1.00 24.22 H new ATOM 0 HE3 LYS A 55 -9.262 6.949 8.318 1.00 24.22 H new ATOM 0 HZ1 LYS A 55 -7.913 8.652 9.541 1.00 61.25 H new ATOM 0 HZ2 LYS A 55 -9.478 8.402 10.151 1.00 61.25 H new ATOM 0 HZ3 LYS A 55 -8.138 7.736 10.954 1.00 61.25 H new ATOM 917 N LEU A 56 -10.079 5.331 15.235 1.00 30.41 N ATOM 918 CA LEU A 56 -10.225 5.779 16.611 1.00 52.41 C ATOM 919 C LEU A 56 -8.953 6.489 17.071 1.00 51.14 C ATOM 920 O LEU A 56 -7.940 6.473 16.373 1.00 44.51 O ATOM 921 CB LEU A 56 -10.533 4.591 17.522 1.00 75.54 C ATOM 922 CG LEU A 56 -11.850 3.872 17.219 1.00 34.35 C ATOM 923 CD1 LEU A 56 -12.055 2.712 18.178 1.00 32.03 C ATOM 924 CD2 LEU A 56 -13.018 4.846 17.293 1.00 14.14 C ATOM 0 H LEU A 56 -9.581 4.447 15.129 1.00 30.41 H new ATOM 0 HA LEU A 56 -11.055 6.483 16.667 1.00 52.41 H new ATOM 0 HB2 LEU A 56 -9.717 3.872 17.446 1.00 75.54 H new ATOM 0 HB3 LEU A 56 -10.555 4.940 18.555 1.00 75.54 H new ATOM 0 HG LEU A 56 -11.802 3.473 16.206 1.00 34.35 H new ATOM 0 HD11 LEU A 56 -12.996 2.212 17.948 1.00 32.03 H new ATOM 0 HD12 LEU A 56 -11.233 2.004 18.074 1.00 32.03 H new ATOM 0 HD13 LEU A 56 -12.083 3.087 19.201 1.00 32.03 H new ATOM 0 HD21 LEU A 56 -13.946 4.318 17.075 1.00 14.14 H new ATOM 0 HD22 LEU A 56 -13.071 5.275 18.294 1.00 14.14 H new ATOM 0 HD23 LEU A 56 -12.874 5.643 16.564 1.00 14.14 H new ATOM 936 N ASN A 57 -9.012 7.113 18.241 1.00 32.03 N ATOM 937 CA ASN A 57 -7.865 7.831 18.784 1.00 20.43 C ATOM 938 C ASN A 57 -7.814 7.712 20.305 1.00 1.23 C ATOM 939 O ASN A 57 -8.597 8.345 21.012 1.00 1.02 O ATOM 940 CB ASN A 57 -7.922 9.305 18.377 1.00 15.31 C ATOM 941 CG ASN A 57 -7.035 9.613 17.186 1.00 61.42 C ATOM 942 OD1 ASN A 57 -7.475 10.223 16.211 1.00 54.21 O ATOM 943 ND2 ASN A 57 -5.778 9.191 17.261 1.00 70.12 N ATOM 0 H ASN A 57 -9.843 7.136 18.833 1.00 32.03 H new ATOM 0 HA ASN A 57 -6.960 7.381 18.374 1.00 20.43 H new ATOM 0 HB2 ASN A 57 -8.951 9.573 18.139 1.00 15.31 H new ATOM 0 HB3 ASN A 57 -7.619 9.924 19.222 1.00 15.31 H new ATOM 0 HD21 ASN A 57 -5.134 9.369 16.491 1.00 70.12 H new ATOM 0 HD22 ASN A 57 -5.457 8.689 18.089 1.00 70.12 H new ATOM 950 N MET A 58 -6.889 6.894 20.800 1.00 5.10 N ATOM 951 CA MET A 58 -6.736 6.688 22.238 1.00 4.22 C ATOM 952 C MET A 58 -6.522 8.009 22.975 1.00 4.32 C ATOM 953 O MET A 58 -6.720 8.089 24.188 1.00 31.45 O ATOM 954 CB MET A 58 -5.570 5.738 22.529 1.00 30.22 C ATOM 955 CG MET A 58 -4.359 5.947 21.629 1.00 34.55 C ATOM 956 SD MET A 58 -3.942 4.480 20.665 1.00 24.45 S ATOM 957 CE MET A 58 -5.510 4.148 19.868 1.00 24.34 C ATOM 0 H MET A 58 -6.234 6.363 20.227 1.00 5.10 H new ATOM 0 HA MET A 58 -7.661 6.240 22.601 1.00 4.22 H new ATOM 0 HB2 MET A 58 -5.264 5.863 23.567 1.00 30.22 H new ATOM 0 HB3 MET A 58 -5.917 4.710 22.421 1.00 30.22 H new ATOM 0 HG2 MET A 58 -4.555 6.778 20.951 1.00 34.55 H new ATOM 0 HG3 MET A 58 -3.502 6.230 22.241 1.00 34.55 H new ATOM 0 HE1 MET A 58 -5.470 3.175 19.378 1.00 24.34 H new ATOM 0 HE2 MET A 58 -6.304 4.147 20.614 1.00 24.34 H new ATOM 0 HE3 MET A 58 -5.711 4.920 19.125 1.00 24.34 H new ATOM 967 N MET A 59 -6.118 9.044 22.243 1.00 1.01 N ATOM 968 CA MET A 59 -5.886 10.352 22.843 1.00 74.53 C ATOM 969 C MET A 59 -7.205 11.090 23.051 1.00 71.54 C ATOM 970 O MET A 59 -7.332 11.909 23.963 1.00 44.32 O ATOM 971 CB MET A 59 -4.950 11.184 21.962 1.00 2.02 C ATOM 972 CG MET A 59 -3.847 11.886 22.740 1.00 24.22 C ATOM 973 SD MET A 59 -3.901 13.681 22.566 1.00 11.43 S ATOM 974 CE MET A 59 -4.166 14.178 24.266 1.00 3.04 C ATOM 0 H MET A 59 -5.946 9.002 21.239 1.00 1.01 H new ATOM 0 HA MET A 59 -5.415 10.204 23.815 1.00 74.53 H new ATOM 0 HB2 MET A 59 -4.498 10.535 21.212 1.00 2.02 H new ATOM 0 HB3 MET A 59 -5.537 11.930 21.426 1.00 2.02 H new ATOM 0 HG2 MET A 59 -3.931 11.625 23.795 1.00 24.22 H new ATOM 0 HG3 MET A 59 -2.879 11.521 22.397 1.00 24.22 H new ATOM 0 HE1 MET A 59 -4.222 15.265 24.323 1.00 3.04 H new ATOM 0 HE2 MET A 59 -5.099 13.747 24.630 1.00 3.04 H new ATOM 0 HE3 MET A 59 -3.339 13.825 24.882 1.00 3.04 H new ATOM 984 N ASN A 60 -8.186 10.788 22.208 1.00 72.24 N ATOM 985 CA ASN A 60 -9.499 11.413 22.308 1.00 13.25 C ATOM 986 C ASN A 60 -10.421 10.579 23.191 1.00 2.34 C ATOM 987 O ASN A 60 -10.898 9.521 22.782 1.00 73.54 O ATOM 988 CB ASN A 60 -10.114 11.587 20.917 1.00 54.23 C ATOM 989 CG ASN A 60 -10.557 13.013 20.654 1.00 60.15 C ATOM 990 OD1 ASN A 60 -9.738 13.928 20.592 1.00 45.25 O ATOM 991 ND2 ASN A 60 -11.862 13.207 20.499 1.00 43.22 N ATOM 0 H ASN A 60 -8.097 10.114 21.448 1.00 72.24 H new ATOM 0 HA ASN A 60 -9.379 12.396 22.762 1.00 13.25 H new ATOM 0 HB2 ASN A 60 -9.386 11.291 20.162 1.00 54.23 H new ATOM 0 HB3 ASN A 60 -10.969 10.919 20.815 1.00 54.23 H new ATOM 0 HD21 ASN A 60 -12.220 14.145 20.320 1.00 43.22 H new ATOM 0 HD22 ASN A 60 -12.506 12.418 20.558 1.00 43.22 H new ATOM 998 N ALA A 61 -10.660 11.059 24.407 1.00 10.14 N ATOM 999 CA ALA A 61 -11.518 10.359 25.358 1.00 75.00 C ATOM 1000 C ALA A 61 -12.811 9.878 24.702 1.00 54.22 C ATOM 1001 O ALA A 61 -13.375 8.861 25.098 1.00 53.14 O ATOM 1002 CB ALA A 61 -11.832 11.260 26.544 1.00 34.33 C ATOM 0 H ALA A 61 -10.270 11.933 24.759 1.00 10.14 H new ATOM 0 HA ALA A 61 -10.978 9.480 25.709 1.00 75.00 H new ATOM 0 HB1 ALA A 61 -12.473 10.727 27.246 1.00 34.33 H new ATOM 0 HB2 ALA A 61 -10.904 11.543 27.042 1.00 34.33 H new ATOM 0 HB3 ALA A 61 -12.344 12.156 26.194 1.00 34.33 H new ATOM 1008 N GLU A 62 -13.272 10.618 23.698 1.00 55.43 N ATOM 1009 CA GLU A 62 -14.499 10.269 22.988 1.00 72.21 C ATOM 1010 C GLU A 62 -14.355 8.939 22.256 1.00 14.54 C ATOM 1011 O GLU A 62 -15.314 8.177 22.139 1.00 50.50 O ATOM 1012 CB GLU A 62 -14.868 11.369 21.994 1.00 2.31 C ATOM 1013 CG GLU A 62 -16.340 11.375 21.617 1.00 22.12 C ATOM 1014 CD GLU A 62 -17.222 11.923 22.722 1.00 43.31 C ATOM 1015 OE1 GLU A 62 -16.834 12.933 23.345 1.00 1.12 O ATOM 1016 OE2 GLU A 62 -18.298 11.340 22.966 1.00 50.21 O ATOM 0 H GLU A 62 -12.814 11.464 23.357 1.00 55.43 H new ATOM 0 HA GLU A 62 -15.294 10.169 23.727 1.00 72.21 H new ATOM 0 HB2 GLU A 62 -14.606 12.337 22.421 1.00 2.31 H new ATOM 0 HB3 GLU A 62 -14.270 11.247 21.091 1.00 2.31 H new ATOM 0 HG2 GLU A 62 -16.478 11.973 20.716 1.00 22.12 H new ATOM 0 HG3 GLU A 62 -16.654 10.359 21.376 1.00 22.12 H new ATOM 1023 N HIS A 63 -13.153 8.666 21.766 1.00 50.11 N ATOM 1024 CA HIS A 63 -12.891 7.425 21.049 1.00 60.41 C ATOM 1025 C HIS A 63 -12.548 6.301 22.019 1.00 12.50 C ATOM 1026 O HIS A 63 -12.968 5.159 21.835 1.00 40.22 O ATOM 1027 CB HIS A 63 -11.758 7.614 20.046 1.00 24.44 C ATOM 1028 CG HIS A 63 -12.200 8.233 18.757 1.00 10.20 C ATOM 1029 ND1 HIS A 63 -11.326 8.606 17.758 1.00 53.10 N ATOM 1030 CD2 HIS A 63 -13.438 8.546 18.303 1.00 33.45 C ATOM 1031 CE1 HIS A 63 -12.002 9.120 16.747 1.00 31.32 C ATOM 1032 NE2 HIS A 63 -13.286 9.094 17.052 1.00 33.54 N ATOM 0 H HIS A 63 -12.347 9.285 21.851 1.00 50.11 H new ATOM 0 HA HIS A 63 -13.797 7.151 20.508 1.00 60.41 H new ATOM 0 HB2 HIS A 63 -10.986 8.240 20.495 1.00 24.44 H new ATOM 0 HB3 HIS A 63 -11.302 6.646 19.838 1.00 24.44 H new ATOM 0 HD2 HIS A 63 -14.370 8.393 18.827 1.00 33.45 H new ATOM 0 HE1 HIS A 63 -11.577 9.497 15.828 1.00 31.32 H new ATOM 0 HE2 HIS A 63 -14.043 9.427 16.455 1.00 33.54 H new ATOM 1040 N ARG A 64 -11.783 6.630 23.058 1.00 13.31 N ATOM 1041 CA ARG A 64 -11.390 5.645 24.058 1.00 25.03 C ATOM 1042 C ARG A 64 -12.617 4.922 24.597 1.00 71.40 C ATOM 1043 O ARG A 64 -12.587 3.714 24.831 1.00 61.24 O ATOM 1044 CB ARG A 64 -10.627 6.313 25.203 1.00 40.44 C ATOM 1045 CG ARG A 64 -9.690 5.369 25.943 1.00 33.11 C ATOM 1046 CD ARG A 64 -8.271 5.456 25.400 1.00 61.24 C ATOM 1047 NE ARG A 64 -7.604 4.155 25.388 1.00 14.00 N ATOM 1048 CZ ARG A 64 -7.290 3.471 26.486 1.00 25.11 C ATOM 1049 NH1 ARG A 64 -7.589 3.952 27.686 1.00 63.42 N ATOM 1050 NH2 ARG A 64 -6.676 2.300 26.384 1.00 33.54 N ATOM 0 H ARG A 64 -11.425 7.570 23.227 1.00 13.31 H new ATOM 0 HA ARG A 64 -10.732 4.917 23.583 1.00 25.03 H new ATOM 0 HB2 ARG A 64 -10.049 7.147 24.805 1.00 40.44 H new ATOM 0 HB3 ARG A 64 -11.343 6.730 25.911 1.00 40.44 H new ATOM 0 HG2 ARG A 64 -9.690 5.613 27.005 1.00 33.11 H new ATOM 0 HG3 ARG A 64 -10.054 4.346 25.851 1.00 33.11 H new ATOM 0 HD2 ARG A 64 -8.295 5.859 24.388 1.00 61.24 H new ATOM 0 HD3 ARG A 64 -7.693 6.153 26.007 1.00 61.24 H new ATOM 0 HE ARG A 64 -7.365 3.747 24.484 1.00 14.00 H new ATOM 0 HH11 ARG A 64 -8.063 4.851 27.771 1.00 63.42 H new ATOM 0 HH12 ARG A 64 -7.345 3.422 28.523 1.00 63.42 H new ATOM 0 HH21 ARG A 64 -6.445 1.924 25.465 1.00 33.54 H new ATOM 0 HH22 ARG A 64 -6.435 1.775 27.225 1.00 33.54 H new ATOM 1064 N LYS A 65 -13.702 5.668 24.778 1.00 13.21 N ATOM 1065 CA LYS A 65 -14.942 5.090 25.272 1.00 31.33 C ATOM 1066 C LYS A 65 -15.625 4.294 24.166 1.00 61.24 C ATOM 1067 O LYS A 65 -16.357 3.345 24.437 1.00 33.24 O ATOM 1068 CB LYS A 65 -15.877 6.178 25.802 1.00 52.43 C ATOM 1069 CG LYS A 65 -16.091 7.325 24.831 1.00 2.34 C ATOM 1070 CD LYS A 65 -17.490 7.906 24.949 1.00 51.14 C ATOM 1071 CE LYS A 65 -17.801 8.330 26.375 1.00 42.14 C ATOM 1072 NZ LYS A 65 -19.216 8.769 26.526 1.00 60.30 N ATOM 0 H LYS A 65 -13.746 6.670 24.590 1.00 13.21 H new ATOM 0 HA LYS A 65 -14.705 4.417 26.096 1.00 31.33 H new ATOM 0 HB2 LYS A 65 -16.842 5.731 26.041 1.00 52.43 H new ATOM 0 HB3 LYS A 65 -15.470 6.573 26.733 1.00 52.43 H new ATOM 0 HG2 LYS A 65 -15.355 8.106 25.022 1.00 2.34 H new ATOM 0 HG3 LYS A 65 -15.927 6.975 23.812 1.00 2.34 H new ATOM 0 HD2 LYS A 65 -17.585 8.765 24.284 1.00 51.14 H new ATOM 0 HD3 LYS A 65 -18.221 7.167 24.621 1.00 51.14 H new ATOM 0 HE2 LYS A 65 -17.604 7.499 27.052 1.00 42.14 H new ATOM 0 HE3 LYS A 65 -17.135 9.143 26.666 1.00 42.14 H new ATOM 0 HZ1 LYS A 65 -19.389 9.050 27.512 1.00 60.30 H new ATOM 0 HZ2 LYS A 65 -19.397 9.578 25.898 1.00 60.30 H new ATOM 0 HZ3 LYS A 65 -19.851 7.986 26.273 1.00 60.30 H new ATOM 1086 N LEU A 66 -15.369 4.670 22.914 1.00 15.23 N ATOM 1087 CA LEU A 66 -15.952 3.957 21.785 1.00 65.44 C ATOM 1088 C LEU A 66 -15.466 2.516 21.796 1.00 64.34 C ATOM 1089 O LEU A 66 -16.247 1.581 21.612 1.00 43.34 O ATOM 1090 CB LEU A 66 -15.586 4.630 20.461 1.00 3.13 C ATOM 1091 CG LEU A 66 -16.719 4.676 19.432 1.00 44.22 C ATOM 1092 CD1 LEU A 66 -17.334 6.066 19.376 1.00 44.03 C ATOM 1093 CD2 LEU A 66 -16.217 4.257 18.057 1.00 64.02 C ATOM 0 H LEU A 66 -14.769 5.455 22.660 1.00 15.23 H new ATOM 0 HA LEU A 66 -17.038 3.978 21.879 1.00 65.44 H new ATOM 0 HB2 LEU A 66 -15.258 5.649 20.666 1.00 3.13 H new ATOM 0 HB3 LEU A 66 -14.738 4.104 20.024 1.00 3.13 H new ATOM 0 HG LEU A 66 -17.490 3.971 19.742 1.00 44.22 H new ATOM 0 HD11 LEU A 66 -18.137 6.079 18.639 1.00 44.03 H new ATOM 0 HD12 LEU A 66 -17.736 6.326 20.355 1.00 44.03 H new ATOM 0 HD13 LEU A 66 -16.570 6.791 19.093 1.00 44.03 H new ATOM 0 HD21 LEU A 66 -17.039 4.297 17.342 1.00 64.02 H new ATOM 0 HD22 LEU A 66 -15.424 4.934 17.737 1.00 64.02 H new ATOM 0 HD23 LEU A 66 -15.828 3.240 18.106 1.00 64.02 H new ATOM 1105 N LEU A 67 -14.171 2.342 22.049 1.00 63.34 N ATOM 1106 CA LEU A 67 -13.583 1.012 22.125 1.00 22.20 C ATOM 1107 C LEU A 67 -14.267 0.230 23.235 1.00 1.33 C ATOM 1108 O LEU A 67 -14.460 -0.983 23.139 1.00 4.11 O ATOM 1109 CB LEU A 67 -12.082 1.102 22.400 1.00 1.32 C ATOM 1110 CG LEU A 67 -11.236 0.019 21.731 1.00 21.52 C ATOM 1111 CD1 LEU A 67 -10.669 0.524 20.418 1.00 44.30 C ATOM 1112 CD2 LEU A 67 -10.119 -0.435 22.659 1.00 25.32 C ATOM 0 H LEU A 67 -13.512 3.105 22.204 1.00 63.34 H new ATOM 0 HA LEU A 67 -13.726 0.503 21.172 1.00 22.20 H new ATOM 0 HB2 LEU A 67 -11.725 2.077 22.068 1.00 1.32 H new ATOM 0 HB3 LEU A 67 -11.922 1.053 23.477 1.00 1.32 H new ATOM 0 HG LEU A 67 -11.876 -0.838 21.521 1.00 21.52 H new ATOM 0 HD11 LEU A 67 -10.069 -0.260 19.955 1.00 44.30 H new ATOM 0 HD12 LEU A 67 -11.486 0.798 19.750 1.00 44.30 H new ATOM 0 HD13 LEU A 67 -10.044 1.397 20.604 1.00 44.30 H new ATOM 0 HD21 LEU A 67 -9.527 -1.206 22.166 1.00 25.32 H new ATOM 0 HD22 LEU A 67 -9.480 0.414 22.901 1.00 25.32 H new ATOM 0 HD23 LEU A 67 -10.549 -0.838 23.576 1.00 25.32 H new ATOM 1124 N GLU A 68 -14.648 0.951 24.284 1.00 45.01 N ATOM 1125 CA GLU A 68 -15.334 0.353 25.417 1.00 31.11 C ATOM 1126 C GLU A 68 -16.664 -0.246 24.970 1.00 33.44 C ATOM 1127 O GLU A 68 -17.215 -1.130 25.626 1.00 63.34 O ATOM 1128 CB GLU A 68 -15.569 1.405 26.505 1.00 31.53 C ATOM 1129 CG GLU A 68 -16.185 0.848 27.769 1.00 52.31 C ATOM 1130 CD GLU A 68 -16.271 1.878 28.878 1.00 75.24 C ATOM 1131 OE1 GLU A 68 -17.141 2.770 28.794 1.00 60.33 O ATOM 1132 OE2 GLU A 68 -15.470 1.790 29.832 1.00 41.25 O ATOM 0 H GLU A 68 -14.491 1.955 24.370 1.00 45.01 H new ATOM 0 HA GLU A 68 -14.711 -0.442 25.825 1.00 31.11 H new ATOM 0 HB2 GLU A 68 -14.618 1.877 26.753 1.00 31.53 H new ATOM 0 HB3 GLU A 68 -16.219 2.185 26.109 1.00 31.53 H new ATOM 0 HG2 GLU A 68 -17.184 0.474 27.547 1.00 52.31 H new ATOM 0 HG3 GLU A 68 -15.595 -0.002 28.112 1.00 52.31 H new ATOM 1139 N GLN A 69 -17.167 0.245 23.840 1.00 45.54 N ATOM 1140 CA GLN A 69 -18.426 -0.231 23.284 1.00 31.33 C ATOM 1141 C GLN A 69 -18.217 -1.511 22.483 1.00 54.04 C ATOM 1142 O GLN A 69 -18.928 -2.498 22.674 1.00 73.31 O ATOM 1143 CB GLN A 69 -19.038 0.845 22.387 1.00 42.43 C ATOM 1144 CG GLN A 69 -20.512 0.623 22.091 1.00 52.05 C ATOM 1145 CD GLN A 69 -21.418 1.377 23.046 1.00 70.01 C ATOM 1146 OE1 GLN A 69 -21.081 2.466 23.511 1.00 75.11 O ATOM 1147 NE2 GLN A 69 -22.576 0.799 23.342 1.00 70.13 N ATOM 0 H GLN A 69 -16.717 0.977 23.290 1.00 45.54 H new ATOM 0 HA GLN A 69 -19.105 -0.447 24.109 1.00 31.33 H new ATOM 0 HB2 GLN A 69 -18.914 1.817 22.864 1.00 42.43 H new ATOM 0 HB3 GLN A 69 -18.488 0.878 21.447 1.00 42.43 H new ATOM 0 HG2 GLN A 69 -20.725 0.937 21.069 1.00 52.05 H new ATOM 0 HG3 GLN A 69 -20.734 -0.442 22.150 1.00 52.05 H new ATOM 0 HE21 GLN A 69 -22.814 -0.105 22.933 1.00 70.13 H new ATOM 0 HE22 GLN A 69 -23.227 1.259 23.978 1.00 70.13 H new ATOM 1156 N GLU A 70 -17.242 -1.484 21.582 1.00 3.11 N ATOM 1157 CA GLU A 70 -16.942 -2.641 20.746 1.00 33.15 C ATOM 1158 C GLU A 70 -16.448 -3.813 21.591 1.00 4.01 C ATOM 1159 O GLU A 70 -16.692 -4.974 21.259 1.00 44.01 O ATOM 1160 CB GLU A 70 -15.892 -2.278 19.692 1.00 60.04 C ATOM 1161 CG GLU A 70 -16.232 -1.028 18.892 1.00 12.23 C ATOM 1162 CD GLU A 70 -17.270 -1.285 17.818 1.00 62.35 C ATOM 1163 OE1 GLU A 70 -17.488 -2.464 17.473 1.00 22.20 O ATOM 1164 OE2 GLU A 70 -17.862 -0.303 17.319 1.00 42.42 O ATOM 0 H GLU A 70 -16.646 -0.674 21.411 1.00 3.11 H new ATOM 0 HA GLU A 70 -17.862 -2.942 20.244 1.00 33.15 H new ATOM 0 HB2 GLU A 70 -14.931 -2.132 20.185 1.00 60.04 H new ATOM 0 HB3 GLU A 70 -15.774 -3.117 19.006 1.00 60.04 H new ATOM 0 HG2 GLU A 70 -16.599 -0.257 19.569 1.00 12.23 H new ATOM 0 HG3 GLU A 70 -15.325 -0.640 18.429 1.00 12.23 H new ATOM 1171 N MET A 71 -15.749 -3.504 22.680 1.00 72.11 N ATOM 1172 CA MET A 71 -15.221 -4.538 23.565 1.00 42.11 C ATOM 1173 C MET A 71 -16.334 -5.451 24.082 1.00 0.22 C ATOM 1174 O MET A 71 -16.125 -6.649 24.269 1.00 15.12 O ATOM 1175 CB MET A 71 -14.436 -3.905 24.724 1.00 44.14 C ATOM 1176 CG MET A 71 -15.240 -3.694 26.001 1.00 2.34 C ATOM 1177 SD MET A 71 -14.443 -2.546 27.137 1.00 23.31 S ATOM 1178 CE MET A 71 -12.752 -3.129 27.084 1.00 23.35 C ATOM 0 H MET A 71 -15.536 -2.550 22.970 1.00 72.11 H new ATOM 0 HA MET A 71 -14.535 -5.159 22.988 1.00 42.11 H new ATOM 0 HB2 MET A 71 -13.578 -4.538 24.952 1.00 44.14 H new ATOM 0 HB3 MET A 71 -14.043 -2.943 24.395 1.00 44.14 H new ATOM 0 HG2 MET A 71 -16.230 -3.318 25.745 1.00 2.34 H new ATOM 0 HG3 MET A 71 -15.382 -4.653 26.499 1.00 2.34 H new ATOM 0 HE1 MET A 71 -12.204 -2.733 27.939 1.00 23.35 H new ATOM 0 HE2 MET A 71 -12.741 -4.218 27.119 1.00 23.35 H new ATOM 0 HE3 MET A 71 -12.279 -2.791 26.162 1.00 23.35 H new ATOM 1188 N VAL A 72 -17.517 -4.886 24.298 1.00 73.42 N ATOM 1189 CA VAL A 72 -18.652 -5.667 24.780 1.00 11.44 C ATOM 1190 C VAL A 72 -19.024 -6.748 23.773 1.00 55.10 C ATOM 1191 O VAL A 72 -18.998 -7.936 24.085 1.00 31.33 O ATOM 1192 CB VAL A 72 -19.887 -4.781 25.044 1.00 43.11 C ATOM 1193 CG1 VAL A 72 -21.082 -5.620 25.492 1.00 1.44 C ATOM 1194 CG2 VAL A 72 -19.561 -3.721 26.079 1.00 54.21 C ATOM 0 H VAL A 72 -17.715 -3.897 24.148 1.00 73.42 H new ATOM 0 HA VAL A 72 -18.346 -6.125 25.720 1.00 11.44 H new ATOM 0 HB VAL A 72 -20.157 -4.288 24.110 1.00 43.11 H new ATOM 0 HG11 VAL A 72 -21.937 -4.969 25.671 1.00 1.44 H new ATOM 0 HG12 VAL A 72 -21.332 -6.342 24.714 1.00 1.44 H new ATOM 0 HG13 VAL A 72 -20.831 -6.149 26.411 1.00 1.44 H new ATOM 0 HG21 VAL A 72 -20.441 -3.103 26.256 1.00 54.21 H new ATOM 0 HG22 VAL A 72 -19.262 -4.202 27.010 1.00 54.21 H new ATOM 0 HG23 VAL A 72 -18.746 -3.096 25.715 1.00 54.21 H new ATOM 1204 N ASN A 73 -19.365 -6.326 22.561 1.00 64.34 N ATOM 1205 CA ASN A 73 -19.739 -7.258 21.502 1.00 33.53 C ATOM 1206 C ASN A 73 -18.701 -8.371 21.346 1.00 45.13 C ATOM 1207 O ASN A 73 -18.988 -9.422 20.774 1.00 11.01 O ATOM 1208 CB ASN A 73 -19.903 -6.512 20.176 1.00 64.34 C ATOM 1209 CG ASN A 73 -20.493 -7.388 19.089 1.00 32.25 C ATOM 1210 OD1 ASN A 73 -20.925 -8.511 19.346 1.00 4.54 O ATOM 1211 ND2 ASN A 73 -20.513 -6.875 17.864 1.00 43.31 N ATOM 0 H ASN A 73 -19.390 -5.344 22.286 1.00 64.34 H new ATOM 0 HA ASN A 73 -20.688 -7.715 21.781 1.00 33.53 H new ATOM 0 HB2 ASN A 73 -20.545 -5.644 20.328 1.00 64.34 H new ATOM 0 HB3 ASN A 73 -18.932 -6.138 19.850 1.00 64.34 H new ATOM 0 HD21 ASN A 73 -20.898 -7.417 17.090 1.00 43.31 H new ATOM 0 HD22 ASN A 73 -20.144 -5.939 17.697 1.00 43.31 H new ATOM 1218 N PHE A 74 -17.492 -8.130 21.848 1.00 74.22 N ATOM 1219 CA PHE A 74 -16.419 -9.109 21.757 1.00 43.41 C ATOM 1220 C PHE A 74 -16.325 -9.963 23.023 1.00 53.44 C ATOM 1221 O PHE A 74 -16.258 -11.190 22.949 1.00 24.31 O ATOM 1222 CB PHE A 74 -15.085 -8.402 21.514 1.00 54.04 C ATOM 1223 CG PHE A 74 -14.077 -9.246 20.790 1.00 3.15 C ATOM 1224 CD1 PHE A 74 -14.192 -9.467 19.428 1.00 23.30 C ATOM 1225 CD2 PHE A 74 -13.013 -9.817 21.472 1.00 73.25 C ATOM 1226 CE1 PHE A 74 -13.265 -10.241 18.757 1.00 1.20 C ATOM 1227 CE2 PHE A 74 -12.083 -10.592 20.806 1.00 32.35 C ATOM 1228 CZ PHE A 74 -12.209 -10.805 19.447 1.00 14.42 C ATOM 0 H PHE A 74 -17.234 -7.264 22.321 1.00 74.22 H new ATOM 0 HA PHE A 74 -16.644 -9.770 20.920 1.00 43.41 H new ATOM 0 HB2 PHE A 74 -15.265 -7.494 20.939 1.00 54.04 H new ATOM 0 HB3 PHE A 74 -14.667 -8.095 22.473 1.00 54.04 H new ATOM 0 HD1 PHE A 74 -15.016 -9.029 18.884 1.00 23.30 H new ATOM 0 HD2 PHE A 74 -12.910 -9.654 22.535 1.00 73.25 H new ATOM 0 HE1 PHE A 74 -13.366 -10.405 17.694 1.00 1.20 H new ATOM 0 HE2 PHE A 74 -11.258 -11.031 21.348 1.00 32.35 H new ATOM 0 HZ PHE A 74 -11.484 -11.411 18.925 1.00 14.42 H new ATOM 1238 N LEU A 75 -16.287 -9.306 24.180 1.00 52.12 N ATOM 1239 CA LEU A 75 -16.163 -10.009 25.457 1.00 13.42 C ATOM 1240 C LEU A 75 -17.485 -10.086 26.221 1.00 31.53 C ATOM 1241 O LEU A 75 -17.836 -11.134 26.762 1.00 14.55 O ATOM 1242 CB LEU A 75 -15.118 -9.313 26.334 1.00 43.21 C ATOM 1243 CG LEU A 75 -13.889 -8.778 25.591 1.00 43.31 C ATOM 1244 CD1 LEU A 75 -13.638 -7.316 25.938 1.00 63.10 C ATOM 1245 CD2 LEU A 75 -12.666 -9.623 25.914 1.00 74.13 C ATOM 0 H LEU A 75 -16.340 -8.291 24.261 1.00 52.12 H new ATOM 0 HA LEU A 75 -15.855 -11.029 25.227 1.00 13.42 H new ATOM 0 HB2 LEU A 75 -15.598 -8.483 26.853 1.00 43.21 H new ATOM 0 HB3 LEU A 75 -14.783 -10.015 27.098 1.00 43.21 H new ATOM 0 HG LEU A 75 -14.082 -8.842 24.520 1.00 43.31 H new ATOM 0 HD11 LEU A 75 -12.761 -6.959 25.398 1.00 63.10 H new ATOM 0 HD12 LEU A 75 -14.506 -6.720 25.654 1.00 63.10 H new ATOM 0 HD13 LEU A 75 -13.468 -7.221 27.010 1.00 63.10 H new ATOM 0 HD21 LEU A 75 -11.801 -9.231 25.379 1.00 74.13 H new ATOM 0 HD22 LEU A 75 -12.474 -9.591 26.987 1.00 74.13 H new ATOM 0 HD23 LEU A 75 -12.845 -10.654 25.608 1.00 74.13 H new ATOM 1257 N PHE A 76 -18.201 -8.970 26.285 1.00 73.34 N ATOM 1258 CA PHE A 76 -19.469 -8.911 27.011 1.00 61.03 C ATOM 1259 C PHE A 76 -20.661 -9.074 26.088 1.00 53.21 C ATOM 1260 O PHE A 76 -21.743 -8.552 26.357 1.00 1.11 O ATOM 1261 CB PHE A 76 -19.587 -7.592 27.736 1.00 51.14 C ATOM 1262 CG PHE A 76 -18.481 -7.352 28.713 1.00 33.21 C ATOM 1263 CD1 PHE A 76 -18.302 -8.196 29.795 1.00 44.41 C ATOM 1264 CD2 PHE A 76 -17.613 -6.287 28.543 1.00 2.43 C ATOM 1265 CE1 PHE A 76 -17.277 -7.983 30.691 1.00 73.25 C ATOM 1266 CE2 PHE A 76 -16.587 -6.069 29.438 1.00 14.30 C ATOM 1267 CZ PHE A 76 -16.418 -6.919 30.512 1.00 10.35 C ATOM 0 H PHE A 76 -17.927 -8.092 25.844 1.00 73.34 H new ATOM 0 HA PHE A 76 -19.472 -9.737 27.722 1.00 61.03 H new ATOM 0 HB2 PHE A 76 -19.598 -6.784 27.005 1.00 51.14 H new ATOM 0 HB3 PHE A 76 -20.541 -7.559 28.263 1.00 51.14 H new ATOM 0 HD1 PHE A 76 -18.973 -9.030 29.939 1.00 44.41 H new ATOM 0 HD2 PHE A 76 -17.741 -5.621 27.702 1.00 2.43 H new ATOM 0 HE1 PHE A 76 -17.147 -8.648 31.532 1.00 73.25 H new ATOM 0 HE2 PHE A 76 -15.916 -5.234 29.299 1.00 14.30 H new ATOM 0 HZ PHE A 76 -15.613 -6.751 31.212 1.00 10.35 H new ATOM 1277 N GLU A 77 -20.453 -9.786 25.004 1.00 54.11 N ATOM 1278 CA GLU A 77 -21.499 -10.027 24.017 1.00 1.24 C ATOM 1279 C GLU A 77 -22.616 -10.889 24.599 1.00 64.35 C ATOM 1280 O GLU A 77 -22.920 -11.965 24.082 1.00 22.34 O ATOM 1281 CB GLU A 77 -20.911 -10.707 22.781 1.00 71.23 C ATOM 1282 CG GLU A 77 -21.860 -10.736 21.594 1.00 55.43 C ATOM 1283 CD GLU A 77 -21.983 -12.116 20.978 1.00 0.31 C ATOM 1284 OE1 GLU A 77 -21.022 -12.557 20.313 1.00 31.00 O ATOM 1285 OE2 GLU A 77 -23.039 -12.756 21.158 1.00 30.04 O ATOM 0 H GLU A 77 -19.557 -10.217 24.775 1.00 54.11 H new ATOM 0 HA GLU A 77 -21.921 -9.063 23.732 1.00 1.24 H new ATOM 0 HB2 GLU A 77 -19.996 -10.189 22.492 1.00 71.23 H new ATOM 0 HB3 GLU A 77 -20.631 -11.729 23.037 1.00 71.23 H new ATOM 0 HG2 GLU A 77 -22.845 -10.396 21.913 1.00 55.43 H new ATOM 0 HG3 GLU A 77 -21.510 -10.034 20.837 1.00 55.43 H new ATOM 1292 N GLY A 78 -23.222 -10.410 25.677 1.00 23.53 N ATOM 1293 CA GLY A 78 -24.297 -11.142 26.314 1.00 62.55 C ATOM 1294 C GLY A 78 -24.929 -10.369 27.456 1.00 72.21 C ATOM 1295 O GLY A 78 -26.151 -10.342 27.594 1.00 64.15 O ATOM 0 H GLY A 78 -22.986 -9.523 26.123 1.00 23.53 H new ATOM 0 HA2 GLY A 78 -25.061 -11.378 25.573 1.00 62.55 H new ATOM 0 HA3 GLY A 78 -23.914 -12.091 26.690 1.00 62.55 H new