USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 617 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 52 GLN : amide:sc= 0.404 X(o=0.81,f=0.69) USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0.404 USER MOD Single : A 3 SER OG : rot 156:sc= 1.21 USER MOD Single : A 8 LYS NZ :NH3+ -137:sc= 0.719 (180deg=-0.268) USER MOD Single : A 9 CYS SG : rot -162:sc= 0.857 USER MOD Single : A 11 GLN : amide:sc= 0.147 K(o=0.15,f=-8.1!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.693 K(o=-0.69,f=-6.9!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.696 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -168:sc= -1.14 (180deg=-1.5) USER MOD Single : A 31 MET CE :methyl -117:sc= -2.12 (180deg=-3.81!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0959 USER MOD Single : A 37 CYS SG : rot 180:sc=-0.00766 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 159:sc= -0.167 (180deg=-0.591) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 161:sc= -0.116 (180deg=-0.603) USER MOD ----------------------------------------------------------------- ATOM 18 N PHE A 2 -2.261 5.057 9.885 1.00 50.53 N ATOM 19 CA PHE A 2 -2.929 4.022 9.126 1.00 11.40 C ATOM 20 C PHE A 2 -1.967 3.494 8.076 1.00 61.24 C ATOM 21 O PHE A 2 -1.852 4.054 6.987 1.00 12.52 O ATOM 22 CB PHE A 2 -4.208 4.557 8.477 1.00 62.43 C ATOM 23 CG PHE A 2 -5.147 3.477 8.020 1.00 31.52 C ATOM 24 CD1 PHE A 2 -5.009 2.901 6.768 1.00 34.44 C ATOM 25 CD2 PHE A 2 -6.170 3.044 8.845 1.00 55.20 C ATOM 26 CE1 PHE A 2 -5.872 1.909 6.350 1.00 54.41 C ATOM 27 CE2 PHE A 2 -7.037 2.051 8.432 1.00 55.22 C ATOM 28 CZ PHE A 2 -6.888 1.485 7.183 1.00 15.23 C ATOM 0 HA PHE A 2 -3.222 3.212 9.793 1.00 11.40 H new ATOM 0 HB2 PHE A 2 -4.726 5.200 9.189 1.00 62.43 H new ATOM 0 HB3 PHE A 2 -3.940 5.179 7.623 1.00 62.43 H new ATOM 0 HD1 PHE A 2 -4.217 3.232 6.112 1.00 34.44 H new ATOM 0 HD2 PHE A 2 -6.292 3.487 9.822 1.00 55.20 H new ATOM 0 HE1 PHE A 2 -5.753 1.465 5.373 1.00 54.41 H new ATOM 0 HE2 PHE A 2 -7.830 1.719 9.086 1.00 55.22 H new ATOM 0 HZ PHE A 2 -7.566 0.710 6.857 1.00 15.23 H new ATOM 38 N SER A 3 -1.246 2.442 8.425 1.00 70.55 N ATOM 39 CA SER A 3 -0.213 1.922 7.551 1.00 71.40 C ATOM 40 C SER A 3 -0.787 0.928 6.551 1.00 52.44 C ATOM 41 O SER A 3 -1.867 0.370 6.757 1.00 0.31 O ATOM 42 CB SER A 3 0.903 1.278 8.378 1.00 70.23 C ATOM 43 OG SER A 3 0.386 0.335 9.305 1.00 72.34 O ATOM 0 H SER A 3 -1.357 1.935 9.303 1.00 70.55 H new ATOM 0 HA SER A 3 0.207 2.754 6.985 1.00 71.40 H new ATOM 0 HB2 SER A 3 1.612 0.785 7.713 1.00 70.23 H new ATOM 0 HB3 SER A 3 1.453 2.052 8.913 1.00 70.23 H new ATOM 0 HG SER A 3 1.084 -0.313 9.536 1.00 72.34 H new ATOM 49 N LEU A 4 -0.057 0.718 5.465 1.00 50.41 N ATOM 50 CA LEU A 4 -0.463 -0.219 4.427 1.00 50.34 C ATOM 51 C LEU A 4 -0.511 -1.641 4.976 1.00 64.32 C ATOM 52 O LEU A 4 -1.321 -2.458 4.552 1.00 63.01 O ATOM 53 CB LEU A 4 0.509 -0.136 3.246 1.00 11.33 C ATOM 54 CG LEU A 4 0.217 -1.082 2.080 1.00 42.23 C ATOM 55 CD1 LEU A 4 -1.181 -0.848 1.546 1.00 10.35 C ATOM 56 CD2 LEU A 4 1.241 -0.889 0.977 1.00 74.01 C ATOM 0 H LEU A 4 0.828 1.189 5.279 1.00 50.41 H new ATOM 0 HA LEU A 4 -1.463 0.047 4.085 1.00 50.34 H new ATOM 0 HB2 LEU A 4 0.508 0.887 2.869 1.00 11.33 H new ATOM 0 HB3 LEU A 4 1.515 -0.340 3.612 1.00 11.33 H new ATOM 0 HG LEU A 4 0.282 -2.108 2.442 1.00 42.23 H new ATOM 0 HD11 LEU A 4 -1.373 -1.529 0.717 1.00 10.35 H new ATOM 0 HD12 LEU A 4 -1.908 -1.027 2.338 1.00 10.35 H new ATOM 0 HD13 LEU A 4 -1.270 0.181 1.198 1.00 10.35 H new ATOM 0 HD21 LEU A 4 1.021 -1.568 0.154 1.00 74.01 H new ATOM 0 HD22 LEU A 4 1.201 0.140 0.619 1.00 74.01 H new ATOM 0 HD23 LEU A 4 2.238 -1.099 1.365 1.00 74.01 H new ATOM 68 N ARG A 5 0.359 -1.916 5.934 1.00 61.11 N ATOM 69 CA ARG A 5 0.429 -3.227 6.559 1.00 74.15 C ATOM 70 C ARG A 5 -0.794 -3.450 7.449 1.00 3.45 C ATOM 71 O ARG A 5 -1.294 -4.562 7.567 1.00 0.22 O ATOM 72 CB ARG A 5 1.716 -3.317 7.380 1.00 14.01 C ATOM 73 CG ARG A 5 2.444 -4.651 7.314 1.00 0.31 C ATOM 74 CD ARG A 5 1.898 -5.673 8.299 1.00 12.30 C ATOM 75 NE ARG A 5 0.629 -6.245 7.865 1.00 53.32 N ATOM 76 CZ ARG A 5 0.353 -7.547 7.826 1.00 74.31 C ATOM 77 NH1 ARG A 5 1.261 -8.446 8.182 1.00 43.22 N ATOM 78 NH2 ARG A 5 -0.851 -7.945 7.428 1.00 51.11 N ATOM 0 H ARG A 5 1.032 -1.242 6.298 1.00 61.11 H new ATOM 0 HA ARG A 5 0.436 -4.002 5.793 1.00 74.15 H new ATOM 0 HB2 ARG A 5 2.396 -2.535 7.043 1.00 14.01 H new ATOM 0 HB3 ARG A 5 1.477 -3.105 8.422 1.00 14.01 H new ATOM 0 HG2 ARG A 5 2.367 -5.051 6.303 1.00 0.31 H new ATOM 0 HG3 ARG A 5 3.504 -4.491 7.514 1.00 0.31 H new ATOM 0 HD2 ARG A 5 2.627 -6.472 8.430 1.00 12.30 H new ATOM 0 HD3 ARG A 5 1.766 -5.200 9.272 1.00 12.30 H new ATOM 0 HE ARG A 5 -0.103 -5.599 7.569 1.00 53.32 H new ATOM 0 HH11 ARG A 5 2.185 -8.143 8.491 1.00 43.22 H new ATOM 0 HH12 ARG A 5 1.035 -9.440 8.147 1.00 43.22 H new ATOM 0 HH21 ARG A 5 -1.552 -7.256 7.156 1.00 51.11 H new ATOM 0 HH22 ARG A 5 -1.074 -8.940 7.394 1.00 51.11 H new ATOM 92 N ASP A 6 -1.281 -2.373 8.054 1.00 61.15 N ATOM 93 CA ASP A 6 -2.425 -2.444 8.969 1.00 23.54 C ATOM 94 C ASP A 6 -3.675 -2.967 8.262 1.00 74.34 C ATOM 95 O ASP A 6 -4.516 -3.623 8.874 1.00 53.31 O ATOM 96 CB ASP A 6 -2.703 -1.066 9.580 1.00 51.44 C ATOM 97 CG ASP A 6 -3.838 -1.088 10.589 1.00 15.14 C ATOM 98 OD1 ASP A 6 -4.919 -0.535 10.291 1.00 41.52 O ATOM 99 OD2 ASP A 6 -3.656 -1.649 11.691 1.00 24.31 O ATOM 0 H ASP A 6 -0.903 -1.434 7.930 1.00 61.15 H new ATOM 0 HA ASP A 6 -2.171 -3.144 9.765 1.00 23.54 H new ATOM 0 HB2 ASP A 6 -1.798 -0.700 10.065 1.00 51.44 H new ATOM 0 HB3 ASP A 6 -2.945 -0.362 8.783 1.00 51.44 H new ATOM 105 N ALA A 7 -3.787 -2.685 6.972 1.00 61.25 N ATOM 106 CA ALA A 7 -4.909 -3.169 6.179 1.00 10.23 C ATOM 107 C ALA A 7 -4.742 -4.654 5.851 1.00 33.04 C ATOM 108 O ALA A 7 -3.637 -5.193 5.915 1.00 55.22 O ATOM 109 CB ALA A 7 -5.039 -2.353 4.906 1.00 50.32 C ATOM 0 H ALA A 7 -3.114 -2.123 6.451 1.00 61.25 H new ATOM 0 HA ALA A 7 -5.821 -3.053 6.764 1.00 10.23 H new ATOM 0 HB1 ALA A 7 -5.881 -2.723 4.321 1.00 50.32 H new ATOM 0 HB2 ALA A 7 -5.206 -1.306 5.160 1.00 50.32 H new ATOM 0 HB3 ALA A 7 -4.123 -2.442 4.321 1.00 50.32 H new ATOM 115 N LYS A 8 -5.840 -5.312 5.515 1.00 33.45 N ATOM 116 CA LYS A 8 -5.806 -6.728 5.172 1.00 53.20 C ATOM 117 C LYS A 8 -6.029 -6.924 3.673 1.00 20.02 C ATOM 118 O LYS A 8 -6.194 -5.957 2.929 1.00 73.33 O ATOM 119 CB LYS A 8 -6.854 -7.517 5.965 1.00 52.21 C ATOM 120 CG LYS A 8 -6.552 -7.643 7.454 1.00 11.43 C ATOM 121 CD LYS A 8 -7.733 -7.196 8.307 1.00 54.32 C ATOM 122 CE LYS A 8 -7.873 -5.682 8.339 1.00 53.20 C ATOM 123 NZ LYS A 8 -6.827 -5.045 9.184 1.00 55.11 N ATOM 0 H LYS A 8 -6.767 -4.889 5.472 1.00 33.45 H new ATOM 0 HA LYS A 8 -4.819 -7.108 5.436 1.00 53.20 H new ATOM 0 HB2 LYS A 8 -7.824 -7.035 5.843 1.00 52.21 H new ATOM 0 HB3 LYS A 8 -6.939 -8.516 5.538 1.00 52.21 H new ATOM 0 HG2 LYS A 8 -6.304 -8.678 7.689 1.00 11.43 H new ATOM 0 HG3 LYS A 8 -5.677 -7.042 7.700 1.00 11.43 H new ATOM 0 HD2 LYS A 8 -8.650 -7.637 7.916 1.00 54.32 H new ATOM 0 HD3 LYS A 8 -7.608 -7.570 9.323 1.00 54.32 H new ATOM 0 HE2 LYS A 8 -7.808 -5.290 7.324 1.00 53.20 H new ATOM 0 HE3 LYS A 8 -8.859 -5.417 8.721 1.00 53.20 H new ATOM 0 HZ1 LYS A 8 -7.258 -4.299 9.766 1.00 55.11 H new ATOM 0 HZ2 LYS A 8 -6.396 -5.762 9.803 1.00 55.11 H new ATOM 0 HZ3 LYS A 8 -6.094 -4.629 8.575 1.00 55.11 H new ATOM 137 N CYS A 9 -6.047 -8.180 3.240 1.00 12.11 N ATOM 138 CA CYS A 9 -6.199 -8.505 1.827 1.00 53.14 C ATOM 139 C CYS A 9 -7.602 -8.156 1.334 1.00 23.05 C ATOM 140 O CYS A 9 -8.578 -8.281 2.073 1.00 35.53 O ATOM 141 CB CYS A 9 -5.935 -9.997 1.607 1.00 23.04 C ATOM 142 SG CYS A 9 -4.520 -10.644 2.533 1.00 40.02 S ATOM 0 H CYS A 9 -5.958 -8.992 3.850 1.00 12.11 H new ATOM 0 HA CYS A 9 -5.477 -7.916 1.261 1.00 53.14 H new ATOM 0 HB2 CYS A 9 -6.826 -10.558 1.888 1.00 23.04 H new ATOM 0 HB3 CYS A 9 -5.770 -10.173 0.544 1.00 23.04 H new ATOM 0 HG CYS A 9 -4.143 -11.775 2.015 1.00 40.02 H new ATOM 148 N GLY A 10 -7.691 -7.703 0.091 1.00 32.24 N ATOM 149 CA GLY A 10 -8.979 -7.421 -0.509 1.00 24.22 C ATOM 150 C GLY A 10 -9.468 -6.014 -0.232 1.00 62.54 C ATOM 151 O GLY A 10 -10.566 -5.641 -0.648 1.00 42.22 O ATOM 0 H GLY A 10 -6.890 -7.525 -0.515 1.00 32.24 H new ATOM 0 HA2 GLY A 10 -8.912 -7.570 -1.587 1.00 24.22 H new ATOM 0 HA3 GLY A 10 -9.712 -8.135 -0.133 1.00 24.22 H new ATOM 155 N GLN A 11 -8.662 -5.227 0.465 1.00 14.11 N ATOM 156 CA GLN A 11 -9.047 -3.866 0.798 1.00 31.54 C ATOM 157 C GLN A 11 -8.370 -2.866 -0.128 1.00 54.41 C ATOM 158 O GLN A 11 -7.266 -3.103 -0.627 1.00 41.30 O ATOM 159 CB GLN A 11 -8.712 -3.549 2.258 1.00 61.52 C ATOM 160 CG GLN A 11 -9.444 -4.438 3.252 1.00 62.24 C ATOM 161 CD GLN A 11 -9.325 -3.941 4.679 1.00 44.13 C ATOM 162 OE1 GLN A 11 -8.396 -4.298 5.403 1.00 2.44 O ATOM 163 NE2 GLN A 11 -10.271 -3.114 5.094 1.00 74.32 N ATOM 0 H GLN A 11 -7.743 -5.506 0.809 1.00 14.11 H new ATOM 0 HA GLN A 11 -10.125 -3.782 0.663 1.00 31.54 H new ATOM 0 HB2 GLN A 11 -7.638 -3.656 2.408 1.00 61.52 H new ATOM 0 HB3 GLN A 11 -8.960 -2.507 2.462 1.00 61.52 H new ATOM 0 HG2 GLN A 11 -10.497 -4.493 2.977 1.00 62.24 H new ATOM 0 HG3 GLN A 11 -9.045 -5.451 3.190 1.00 62.24 H new ATOM 0 HE21 GLN A 11 -11.024 -2.843 4.462 1.00 74.32 H new ATOM 0 HE22 GLN A 11 -10.247 -2.748 6.046 1.00 74.32 H new ATOM 172 N THR A 12 -9.051 -1.757 -0.361 1.00 43.44 N ATOM 173 CA THR A 12 -8.551 -0.714 -1.235 1.00 1.41 C ATOM 174 C THR A 12 -8.030 0.464 -0.416 1.00 53.32 C ATOM 175 O THR A 12 -8.794 1.137 0.283 1.00 1.11 O ATOM 176 CB THR A 12 -9.665 -0.227 -2.175 1.00 54.41 C ATOM 177 OG1 THR A 12 -10.358 -1.354 -2.735 1.00 54.24 O ATOM 178 CG2 THR A 12 -9.098 0.637 -3.290 1.00 53.54 C ATOM 0 H THR A 12 -9.963 -1.556 0.050 1.00 43.44 H new ATOM 0 HA THR A 12 -7.734 -1.128 -1.827 1.00 1.41 H new ATOM 0 HB THR A 12 -10.363 0.377 -1.595 1.00 54.41 H new ATOM 0 HG1 THR A 12 -11.068 -1.038 -3.332 1.00 54.24 H new ATOM 0 HG21 THR A 12 -9.907 0.968 -3.941 1.00 53.54 H new ATOM 0 HG22 THR A 12 -8.600 1.506 -2.860 1.00 53.54 H new ATOM 0 HG23 THR A 12 -8.380 0.057 -3.870 1.00 53.54 H new ATOM 186 N VAL A 13 -6.731 0.703 -0.496 1.00 62.42 N ATOM 187 CA VAL A 13 -6.109 1.777 0.262 1.00 43.32 C ATOM 188 C VAL A 13 -5.551 2.851 -0.661 1.00 21.14 C ATOM 189 O VAL A 13 -4.910 2.552 -1.664 1.00 12.50 O ATOM 190 CB VAL A 13 -4.980 1.253 1.172 1.00 53.50 C ATOM 191 CG1 VAL A 13 -5.538 0.349 2.256 1.00 21.10 C ATOM 192 CG2 VAL A 13 -3.936 0.518 0.353 1.00 70.14 C ATOM 0 H VAL A 13 -6.087 0.168 -1.078 1.00 62.42 H new ATOM 0 HA VAL A 13 -6.890 2.211 0.887 1.00 43.32 H new ATOM 0 HB VAL A 13 -4.505 2.108 1.652 1.00 53.50 H new ATOM 0 HG11 VAL A 13 -4.724 -0.009 2.886 1.00 21.10 H new ATOM 0 HG12 VAL A 13 -6.249 0.907 2.865 1.00 21.10 H new ATOM 0 HG13 VAL A 13 -6.042 -0.501 1.797 1.00 21.10 H new ATOM 0 HG21 VAL A 13 -3.147 0.155 1.011 1.00 70.14 H new ATOM 0 HG22 VAL A 13 -4.401 -0.326 -0.156 1.00 70.14 H new ATOM 0 HG23 VAL A 13 -3.509 1.196 -0.386 1.00 70.14 H new ATOM 202 N LYS A 14 -5.812 4.099 -0.326 1.00 40.32 N ATOM 203 CA LYS A 14 -5.300 5.216 -1.098 1.00 1.33 C ATOM 204 C LYS A 14 -4.002 5.723 -0.489 1.00 32.12 C ATOM 205 O LYS A 14 -3.898 5.882 0.727 1.00 72.33 O ATOM 206 CB LYS A 14 -6.334 6.341 -1.152 1.00 33.21 C ATOM 207 CG LYS A 14 -5.884 7.549 -1.960 1.00 41.22 C ATOM 208 CD LYS A 14 -6.957 8.623 -2.006 1.00 23.41 C ATOM 209 CE LYS A 14 -8.218 8.125 -2.693 1.00 21.24 C ATOM 210 NZ LYS A 14 -9.242 9.194 -2.795 1.00 1.53 N ATOM 0 H LYS A 14 -6.378 4.367 0.479 1.00 40.32 H new ATOM 0 HA LYS A 14 -5.101 4.877 -2.115 1.00 1.33 H new ATOM 0 HB2 LYS A 14 -7.258 5.953 -1.580 1.00 33.21 H new ATOM 0 HB3 LYS A 14 -6.563 6.660 -0.135 1.00 33.21 H new ATOM 0 HG2 LYS A 14 -4.974 7.961 -1.523 1.00 41.22 H new ATOM 0 HG3 LYS A 14 -5.637 7.237 -2.975 1.00 41.22 H new ATOM 0 HD2 LYS A 14 -7.197 8.942 -0.992 1.00 23.41 H new ATOM 0 HD3 LYS A 14 -6.575 9.497 -2.534 1.00 23.41 H new ATOM 0 HE2 LYS A 14 -7.970 7.761 -3.690 1.00 21.24 H new ATOM 0 HE3 LYS A 14 -8.626 7.281 -2.138 1.00 21.24 H new ATOM 0 HZ1 LYS A 14 -10.089 8.820 -3.269 1.00 1.53 H new ATOM 0 HZ2 LYS A 14 -9.496 9.524 -1.842 1.00 1.53 H new ATOM 0 HZ3 LYS A 14 -8.860 9.989 -3.346 1.00 1.53 H new ATOM 224 N VAL A 15 -3.015 5.964 -1.337 1.00 75.02 N ATOM 225 CA VAL A 15 -1.724 6.462 -0.887 1.00 40.54 C ATOM 226 C VAL A 15 -1.801 7.953 -0.590 1.00 4.42 C ATOM 227 O VAL A 15 -2.020 8.763 -1.496 1.00 42.44 O ATOM 228 CB VAL A 15 -0.632 6.219 -1.946 1.00 33.05 C ATOM 229 CG1 VAL A 15 0.743 6.584 -1.404 1.00 21.41 C ATOM 230 CG2 VAL A 15 -0.665 4.776 -2.422 1.00 10.10 C ATOM 0 H VAL A 15 -3.083 5.822 -2.345 1.00 75.02 H new ATOM 0 HA VAL A 15 -1.465 5.919 0.022 1.00 40.54 H new ATOM 0 HB VAL A 15 -0.834 6.865 -2.801 1.00 33.05 H new ATOM 0 HG11 VAL A 15 1.496 6.403 -2.171 1.00 21.41 H new ATOM 0 HG12 VAL A 15 0.756 7.637 -1.124 1.00 21.41 H new ATOM 0 HG13 VAL A 15 0.963 5.973 -0.529 1.00 21.41 H new ATOM 0 HG21 VAL A 15 0.113 4.622 -3.170 1.00 10.10 H new ATOM 0 HG22 VAL A 15 -0.493 4.110 -1.577 1.00 10.10 H new ATOM 0 HG23 VAL A 15 -1.639 4.560 -2.862 1.00 10.10 H new ATOM 240 N VAL A 16 -1.626 8.314 0.673 1.00 53.05 N ATOM 241 CA VAL A 16 -1.715 9.708 1.072 1.00 14.51 C ATOM 242 C VAL A 16 -0.383 10.250 1.582 1.00 30.21 C ATOM 243 O VAL A 16 0.054 11.323 1.163 1.00 65.12 O ATOM 244 CB VAL A 16 -2.825 9.942 2.128 1.00 23.51 C ATOM 245 CG1 VAL A 16 -4.203 9.748 1.508 1.00 13.42 C ATOM 246 CG2 VAL A 16 -2.663 9.018 3.330 1.00 52.21 C ATOM 0 H VAL A 16 -1.423 7.665 1.433 1.00 53.05 H new ATOM 0 HA VAL A 16 -1.980 10.260 0.170 1.00 14.51 H new ATOM 0 HB VAL A 16 -2.730 10.970 2.477 1.00 23.51 H new ATOM 0 HG11 VAL A 16 -4.969 9.916 2.265 1.00 13.42 H new ATOM 0 HG12 VAL A 16 -4.338 10.457 0.691 1.00 13.42 H new ATOM 0 HG13 VAL A 16 -4.289 8.732 1.124 1.00 13.42 H new ATOM 0 HG21 VAL A 16 -3.460 9.212 4.048 1.00 52.21 H new ATOM 0 HG22 VAL A 16 -2.716 7.980 3.001 1.00 52.21 H new ATOM 0 HG23 VAL A 16 -1.697 9.200 3.801 1.00 52.21 H new ATOM 256 N LYS A 17 0.277 9.521 2.470 1.00 74.24 N ATOM 257 CA LYS A 17 1.519 10.006 3.053 1.00 42.54 C ATOM 258 C LYS A 17 2.592 8.932 3.031 1.00 70.34 C ATOM 259 O LYS A 17 2.303 7.739 3.080 1.00 42.45 O ATOM 260 CB LYS A 17 1.298 10.477 4.493 1.00 43.31 C ATOM 261 CG LYS A 17 0.252 11.569 4.627 1.00 22.33 C ATOM 262 CD LYS A 17 0.064 11.986 6.073 1.00 40.14 C ATOM 263 CE LYS A 17 -1.046 13.012 6.207 1.00 2.24 C ATOM 264 NZ LYS A 17 -1.225 13.467 7.611 1.00 24.24 N ATOM 0 H LYS A 17 -0.022 8.603 2.799 1.00 74.24 H new ATOM 0 HA LYS A 17 1.854 10.849 2.449 1.00 42.54 H new ATOM 0 HB2 LYS A 17 0.999 9.624 5.103 1.00 43.31 H new ATOM 0 HB3 LYS A 17 2.243 10.841 4.895 1.00 43.31 H new ATOM 0 HG2 LYS A 17 0.550 12.434 4.034 1.00 22.33 H new ATOM 0 HG3 LYS A 17 -0.697 11.217 4.223 1.00 22.33 H new ATOM 0 HD2 LYS A 17 -0.171 11.111 6.679 1.00 40.14 H new ATOM 0 HD3 LYS A 17 0.995 12.401 6.459 1.00 40.14 H new ATOM 0 HE2 LYS A 17 -0.822 13.871 5.574 1.00 2.24 H new ATOM 0 HE3 LYS A 17 -1.980 12.583 5.844 1.00 2.24 H new ATOM 0 HZ1 LYS A 17 -1.993 14.167 7.654 1.00 24.24 H new ATOM 0 HZ2 LYS A 17 -1.464 12.653 8.212 1.00 24.24 H new ATOM 0 HZ3 LYS A 17 -0.343 13.900 7.951 1.00 24.24 H new ATOM 278 N LEU A 18 3.835 9.369 2.972 1.00 4.01 N ATOM 279 CA LEU A 18 4.966 8.463 2.950 1.00 72.03 C ATOM 280 C LEU A 18 5.954 8.850 4.044 1.00 64.30 C ATOM 281 O LEU A 18 6.633 9.869 3.942 1.00 41.53 O ATOM 282 CB LEU A 18 5.645 8.495 1.576 1.00 50.34 C ATOM 283 CG LEU A 18 4.772 8.027 0.403 1.00 55.02 C ATOM 284 CD1 LEU A 18 5.509 8.203 -0.913 1.00 43.12 C ATOM 285 CD2 LEU A 18 4.372 6.572 0.589 1.00 3.21 C ATOM 0 H LEU A 18 4.088 10.356 2.938 1.00 4.01 H new ATOM 0 HA LEU A 18 4.615 7.448 3.134 1.00 72.03 H new ATOM 0 HB2 LEU A 18 5.977 9.514 1.377 1.00 50.34 H new ATOM 0 HB3 LEU A 18 6.538 7.871 1.615 1.00 50.34 H new ATOM 0 HG LEU A 18 3.870 8.639 0.380 1.00 55.02 H new ATOM 0 HD11 LEU A 18 4.875 7.866 -1.733 1.00 43.12 H new ATOM 0 HD12 LEU A 18 5.756 9.255 -1.054 1.00 43.12 H new ATOM 0 HD13 LEU A 18 6.426 7.614 -0.898 1.00 43.12 H new ATOM 0 HD21 LEU A 18 3.753 6.255 -0.250 1.00 3.21 H new ATOM 0 HD22 LEU A 18 5.267 5.952 0.635 1.00 3.21 H new ATOM 0 HD23 LEU A 18 3.808 6.465 1.516 1.00 3.21 H new ATOM 297 N HIS A 19 6.023 8.043 5.096 1.00 55.30 N ATOM 298 CA HIS A 19 6.868 8.361 6.248 1.00 50.40 C ATOM 299 C HIS A 19 8.287 7.845 6.044 1.00 21.52 C ATOM 300 O HIS A 19 9.166 8.070 6.875 1.00 23.10 O ATOM 301 CB HIS A 19 6.298 7.757 7.534 1.00 2.33 C ATOM 302 CG HIS A 19 4.937 8.268 7.915 1.00 73.40 C ATOM 303 ND1 HIS A 19 4.737 9.423 8.640 1.00 2.13 N ATOM 304 CD2 HIS A 19 3.704 7.758 7.684 1.00 64.11 C ATOM 305 CE1 HIS A 19 3.444 9.596 8.840 1.00 45.23 C ATOM 306 NE2 HIS A 19 2.793 8.602 8.271 1.00 13.21 N ATOM 0 H HIS A 19 5.508 7.167 5.178 1.00 55.30 H new ATOM 0 HA HIS A 19 6.889 9.447 6.340 1.00 50.40 H new ATOM 0 HB2 HIS A 19 6.246 6.674 7.420 1.00 2.33 H new ATOM 0 HB3 HIS A 19 6.990 7.958 8.352 1.00 2.33 H new ATOM 0 HD2 HIS A 19 3.478 6.854 7.138 1.00 64.11 H new ATOM 0 HE1 HIS A 19 2.994 10.416 9.380 1.00 45.23 H new ATOM 0 HE2 HIS A 19 1.780 8.479 8.267 1.00 13.21 H new ATOM 315 N GLY A 20 8.496 7.149 4.938 1.00 41.42 N ATOM 316 CA GLY A 20 9.792 6.557 4.656 1.00 44.53 C ATOM 317 C GLY A 20 10.848 7.585 4.304 1.00 41.12 C ATOM 318 O GLY A 20 10.534 8.745 4.029 1.00 70.22 O ATOM 0 H GLY A 20 7.787 6.981 4.224 1.00 41.42 H new ATOM 0 HA2 GLY A 20 10.122 5.988 5.525 1.00 44.53 H new ATOM 0 HA3 GLY A 20 9.691 5.851 3.832 1.00 44.53 H new ATOM 322 N THR A 21 12.101 7.153 4.311 1.00 24.53 N ATOM 323 CA THR A 21 13.222 8.020 3.985 1.00 2.23 C ATOM 324 C THR A 21 13.316 8.242 2.478 1.00 33.34 C ATOM 325 O THR A 21 12.554 7.651 1.716 1.00 44.30 O ATOM 326 CB THR A 21 14.531 7.404 4.499 1.00 11.33 C ATOM 327 OG1 THR A 21 14.541 6.000 4.207 1.00 33.41 O ATOM 328 CG2 THR A 21 14.682 7.620 5.997 1.00 55.00 C ATOM 0 H THR A 21 12.367 6.196 4.542 1.00 24.53 H new ATOM 0 HA THR A 21 13.060 8.983 4.469 1.00 2.23 H new ATOM 0 HB THR A 21 15.367 7.892 3.999 1.00 11.33 H new ATOM 0 HG1 THR A 21 15.376 5.604 4.532 1.00 33.41 H new ATOM 0 HG21 THR A 21 15.617 7.174 6.336 1.00 55.00 H new ATOM 0 HG22 THR A 21 14.690 8.689 6.211 1.00 55.00 H new ATOM 0 HG23 THR A 21 13.847 7.152 6.518 1.00 55.00 H new ATOM 336 N GLY A 22 14.257 9.082 2.059 1.00 53.41 N ATOM 337 CA GLY A 22 14.399 9.412 0.653 1.00 74.53 C ATOM 338 C GLY A 22 14.628 8.199 -0.230 1.00 41.12 C ATOM 339 O GLY A 22 14.031 8.088 -1.305 1.00 52.22 O ATOM 0 H GLY A 22 14.928 9.543 2.673 1.00 53.41 H new ATOM 0 HA2 GLY A 22 13.502 9.933 0.317 1.00 74.53 H new ATOM 0 HA3 GLY A 22 15.233 10.103 0.532 1.00 74.53 H new ATOM 343 N ALA A 23 15.487 7.291 0.219 1.00 72.34 N ATOM 344 CA ALA A 23 15.794 6.082 -0.540 1.00 22.11 C ATOM 345 C ALA A 23 14.566 5.188 -0.668 1.00 51.23 C ATOM 346 O ALA A 23 14.250 4.702 -1.757 1.00 41.13 O ATOM 347 CB ALA A 23 16.935 5.320 0.115 1.00 13.34 C ATOM 0 H ALA A 23 15.984 7.368 1.106 1.00 72.34 H new ATOM 0 HA ALA A 23 16.101 6.382 -1.542 1.00 22.11 H new ATOM 0 HB1 ALA A 23 17.152 4.422 -0.463 1.00 13.34 H new ATOM 0 HB2 ALA A 23 17.822 5.952 0.149 1.00 13.34 H new ATOM 0 HB3 ALA A 23 16.650 5.039 1.129 1.00 13.34 H new ATOM 353 N LEU A 24 13.876 4.978 0.449 1.00 44.44 N ATOM 354 CA LEU A 24 12.662 4.167 0.463 1.00 42.31 C ATOM 355 C LEU A 24 11.573 4.825 -0.373 1.00 53.02 C ATOM 356 O LEU A 24 10.968 4.185 -1.234 1.00 3.30 O ATOM 357 CB LEU A 24 12.163 3.965 1.902 1.00 35.34 C ATOM 358 CG LEU A 24 12.792 2.797 2.678 1.00 41.43 C ATOM 359 CD1 LEU A 24 12.462 1.471 2.012 1.00 15.25 C ATOM 360 CD2 LEU A 24 14.298 2.967 2.802 1.00 14.15 C ATOM 0 H LEU A 24 14.137 5.359 1.358 1.00 44.44 H new ATOM 0 HA LEU A 24 12.899 3.194 0.033 1.00 42.31 H new ATOM 0 HB2 LEU A 24 12.343 4.884 2.460 1.00 35.34 H new ATOM 0 HB3 LEU A 24 11.084 3.816 1.873 1.00 35.34 H new ATOM 0 HG LEU A 24 12.368 2.798 3.682 1.00 41.43 H new ATOM 0 HD11 LEU A 24 12.917 0.657 2.577 1.00 15.25 H new ATOM 0 HD12 LEU A 24 11.381 1.336 1.987 1.00 15.25 H new ATOM 0 HD13 LEU A 24 12.852 1.468 0.994 1.00 15.25 H new ATOM 0 HD21 LEU A 24 14.715 2.126 3.356 1.00 14.15 H new ATOM 0 HD22 LEU A 24 14.743 3.003 1.808 1.00 14.15 H new ATOM 0 HD23 LEU A 24 14.517 3.894 3.332 1.00 14.15 H new ATOM 372 N LYS A 25 11.356 6.112 -0.125 1.00 60.50 N ATOM 373 CA LYS A 25 10.329 6.885 -0.811 1.00 2.00 C ATOM 374 C LYS A 25 10.484 6.784 -2.319 1.00 1.14 C ATOM 375 O LYS A 25 9.523 6.499 -3.030 1.00 52.24 O ATOM 376 CB LYS A 25 10.415 8.350 -0.395 1.00 32.14 C ATOM 377 CG LYS A 25 9.070 8.994 -0.124 1.00 73.43 C ATOM 378 CD LYS A 25 9.221 10.474 0.183 1.00 25.51 C ATOM 379 CE LYS A 25 10.043 10.708 1.442 1.00 54.12 C ATOM 380 NZ LYS A 25 10.288 12.155 1.687 1.00 23.33 N ATOM 0 H LYS A 25 11.889 6.649 0.559 1.00 60.50 H new ATOM 0 HA LYS A 25 9.358 6.476 -0.531 1.00 2.00 H new ATOM 0 HB2 LYS A 25 11.030 8.427 0.501 1.00 32.14 H new ATOM 0 HB3 LYS A 25 10.923 8.911 -1.180 1.00 32.14 H new ATOM 0 HG2 LYS A 25 8.421 8.864 -0.990 1.00 73.43 H new ATOM 0 HG3 LYS A 25 8.587 8.493 0.715 1.00 73.43 H new ATOM 0 HD2 LYS A 25 9.698 10.974 -0.660 1.00 25.51 H new ATOM 0 HD3 LYS A 25 8.235 10.923 0.304 1.00 25.51 H new ATOM 0 HE2 LYS A 25 9.524 10.278 2.299 1.00 54.12 H new ATOM 0 HE3 LYS A 25 10.997 10.189 1.354 1.00 54.12 H new ATOM 0 HZ1 LYS A 25 10.851 12.270 2.554 1.00 23.33 H new ATOM 0 HZ2 LYS A 25 10.806 12.561 0.881 1.00 23.33 H new ATOM 0 HZ3 LYS A 25 9.379 12.647 1.797 1.00 23.33 H new ATOM 394 N ARG A 26 11.698 7.018 -2.799 1.00 4.41 N ATOM 395 CA ARG A 26 11.975 6.985 -4.230 1.00 5.34 C ATOM 396 C ARG A 26 11.580 5.646 -4.841 1.00 64.41 C ATOM 397 O ARG A 26 10.915 5.609 -5.877 1.00 32.24 O ATOM 398 CB ARG A 26 13.455 7.240 -4.507 1.00 72.22 C ATOM 399 CG ARG A 26 13.786 7.227 -5.991 1.00 22.12 C ATOM 400 CD ARG A 26 15.280 7.156 -6.240 1.00 20.32 C ATOM 401 NE ARG A 26 15.582 7.106 -7.669 1.00 54.52 N ATOM 402 CZ ARG A 26 16.303 6.149 -8.257 1.00 34.34 C ATOM 403 NH1 ARG A 26 16.781 5.130 -7.551 1.00 64.22 N ATOM 404 NH2 ARG A 26 16.523 6.202 -9.564 1.00 42.52 N ATOM 0 H ARG A 26 12.508 7.233 -2.218 1.00 4.41 H new ATOM 0 HA ARG A 26 11.379 7.775 -4.688 1.00 5.34 H new ATOM 0 HB2 ARG A 26 13.739 8.204 -4.084 1.00 72.22 H new ATOM 0 HB3 ARG A 26 14.051 6.482 -3.999 1.00 72.22 H new ATOM 0 HG2 ARG A 26 13.299 6.374 -6.463 1.00 22.12 H new ATOM 0 HG3 ARG A 26 13.383 8.124 -6.460 1.00 22.12 H new ATOM 0 HD2 ARG A 26 15.766 8.024 -5.794 1.00 20.32 H new ATOM 0 HD3 ARG A 26 15.690 6.274 -5.749 1.00 20.32 H new ATOM 0 HE ARG A 26 15.216 7.854 -8.258 1.00 54.52 H new ATOM 0 HH11 ARG A 26 16.598 5.073 -6.549 1.00 64.22 H new ATOM 0 HH12 ARG A 26 17.331 4.404 -8.011 1.00 64.22 H new ATOM 0 HH21 ARG A 26 16.142 6.971 -10.115 1.00 42.52 H new ATOM 0 HH22 ARG A 26 17.073 5.473 -10.018 1.00 42.52 H new ATOM 418 N ARG A 27 11.980 4.556 -4.196 1.00 41.20 N ATOM 419 CA ARG A 27 11.717 3.231 -4.733 1.00 23.21 C ATOM 420 C ARG A 27 10.220 2.944 -4.728 1.00 4.42 C ATOM 421 O ARG A 27 9.687 2.401 -5.693 1.00 20.23 O ATOM 422 CB ARG A 27 12.473 2.154 -3.955 1.00 4.30 C ATOM 423 CG ARG A 27 12.564 0.838 -4.710 1.00 31.52 C ATOM 424 CD ARG A 27 13.434 -0.175 -3.990 1.00 10.30 C ATOM 425 NE ARG A 27 13.702 -1.340 -4.833 1.00 22.04 N ATOM 426 CZ ARG A 27 14.230 -2.485 -4.400 1.00 34.31 C ATOM 427 NH1 ARG A 27 14.541 -2.646 -3.121 1.00 0.13 N ATOM 428 NH2 ARG A 27 14.451 -3.477 -5.249 1.00 32.40 N ATOM 0 H ARG A 27 12.483 4.565 -3.309 1.00 41.20 H new ATOM 0 HA ARG A 27 12.075 3.209 -5.762 1.00 23.21 H new ATOM 0 HB2 ARG A 27 13.479 2.511 -3.733 1.00 4.30 H new ATOM 0 HB3 ARG A 27 11.976 1.986 -2.999 1.00 4.30 H new ATOM 0 HG2 ARG A 27 11.563 0.427 -4.842 1.00 31.52 H new ATOM 0 HG3 ARG A 27 12.968 1.019 -5.706 1.00 31.52 H new ATOM 0 HD2 ARG A 27 14.376 0.292 -3.701 1.00 10.30 H new ATOM 0 HD3 ARG A 27 12.941 -0.494 -3.072 1.00 10.30 H new ATOM 0 HE ARG A 27 13.468 -1.271 -5.823 1.00 22.04 H new ATOM 0 HH11 ARG A 27 14.377 -1.889 -2.457 1.00 0.13 H new ATOM 0 HH12 ARG A 27 14.944 -3.527 -2.801 1.00 0.13 H new ATOM 0 HH21 ARG A 27 14.217 -3.366 -6.236 1.00 32.40 H new ATOM 0 HH22 ARG A 27 14.855 -4.352 -4.916 1.00 32.40 H new ATOM 442 N ILE A 28 9.543 3.330 -3.649 1.00 71.41 N ATOM 443 CA ILE A 28 8.093 3.159 -3.551 1.00 54.15 C ATOM 444 C ILE A 28 7.389 3.963 -4.645 1.00 21.31 C ATOM 445 O ILE A 28 6.457 3.486 -5.297 1.00 25.03 O ATOM 446 CB ILE A 28 7.561 3.589 -2.160 1.00 44.33 C ATOM 447 CG1 ILE A 28 8.249 2.780 -1.053 1.00 14.20 C ATOM 448 CG2 ILE A 28 6.050 3.401 -2.090 1.00 71.11 C ATOM 449 CD1 ILE A 28 7.874 3.218 0.347 1.00 70.14 C ATOM 0 H ILE A 28 9.973 3.762 -2.831 1.00 71.41 H new ATOM 0 HA ILE A 28 7.877 2.099 -3.684 1.00 54.15 H new ATOM 0 HB ILE A 28 7.788 4.645 -2.012 1.00 44.33 H new ATOM 0 HG12 ILE A 28 7.995 1.727 -1.174 1.00 14.20 H new ATOM 0 HG13 ILE A 28 9.329 2.864 -1.173 1.00 14.20 H new ATOM 0 HG21 ILE A 28 5.690 3.707 -1.108 1.00 71.11 H new ATOM 0 HG22 ILE A 28 5.572 4.010 -2.857 1.00 71.11 H new ATOM 0 HG23 ILE A 28 5.806 2.352 -2.255 1.00 71.11 H new ATOM 0 HD11 ILE A 28 8.400 2.600 1.075 1.00 70.14 H new ATOM 0 HD12 ILE A 28 8.153 4.262 0.489 1.00 70.14 H new ATOM 0 HD13 ILE A 28 6.799 3.108 0.487 1.00 70.14 H new ATOM 461 N MET A 29 7.877 5.174 -4.868 1.00 13.24 N ATOM 462 CA MET A 29 7.306 6.060 -5.874 1.00 65.43 C ATOM 463 C MET A 29 7.575 5.539 -7.280 1.00 42.11 C ATOM 464 O MET A 29 6.781 5.755 -8.195 1.00 1.11 O ATOM 465 CB MET A 29 7.851 7.484 -5.726 1.00 73.11 C ATOM 466 CG MET A 29 7.307 8.225 -4.512 1.00 64.30 C ATOM 467 SD MET A 29 7.832 9.950 -4.454 1.00 54.33 S ATOM 468 CE MET A 29 9.600 9.761 -4.241 1.00 62.13 C ATOM 0 H MET A 29 8.671 5.568 -4.364 1.00 13.24 H new ATOM 0 HA MET A 29 6.228 6.084 -5.715 1.00 65.43 H new ATOM 0 HB2 MET A 29 8.938 7.442 -5.658 1.00 73.11 H new ATOM 0 HB3 MET A 29 7.610 8.051 -6.625 1.00 73.11 H new ATOM 0 HG2 MET A 29 6.218 8.181 -4.523 1.00 64.30 H new ATOM 0 HG3 MET A 29 7.637 7.719 -3.605 1.00 64.30 H new ATOM 0 HE1 MET A 29 10.039 10.723 -3.976 1.00 62.13 H new ATOM 0 HE2 MET A 29 9.796 9.041 -3.446 1.00 62.13 H new ATOM 0 HE3 MET A 29 10.042 9.404 -5.171 1.00 62.13 H new ATOM 478 N ASP A 30 8.696 4.848 -7.444 1.00 52.40 N ATOM 479 CA ASP A 30 9.058 4.262 -8.733 1.00 43.24 C ATOM 480 C ASP A 30 8.060 3.175 -9.125 1.00 42.31 C ATOM 481 O ASP A 30 7.797 2.956 -10.308 1.00 75.42 O ATOM 482 CB ASP A 30 10.481 3.688 -8.674 1.00 44.15 C ATOM 483 CG ASP A 30 10.971 3.189 -10.020 1.00 14.22 C ATOM 484 OD1 ASP A 30 10.975 1.959 -10.246 1.00 51.44 O ATOM 485 OD2 ASP A 30 11.367 4.022 -10.859 1.00 73.13 O ATOM 0 H ASP A 30 9.373 4.678 -6.700 1.00 52.40 H new ATOM 0 HA ASP A 30 9.029 5.044 -9.491 1.00 43.24 H new ATOM 0 HB2 ASP A 30 11.162 4.455 -8.306 1.00 44.15 H new ATOM 0 HB3 ASP A 30 10.507 2.868 -7.956 1.00 44.15 H new ATOM 491 N MET A 31 7.477 2.530 -8.117 1.00 41.44 N ATOM 492 CA MET A 31 6.512 1.449 -8.330 1.00 12.24 C ATOM 493 C MET A 31 5.183 2.001 -8.836 1.00 61.04 C ATOM 494 O MET A 31 4.333 1.257 -9.325 1.00 63.35 O ATOM 495 CB MET A 31 6.267 0.690 -7.022 1.00 71.01 C ATOM 496 CG MET A 31 7.535 0.296 -6.292 1.00 43.32 C ATOM 497 SD MET A 31 7.209 -0.384 -4.655 1.00 34.05 S ATOM 498 CE MET A 31 8.834 -0.236 -3.921 1.00 3.12 C ATOM 0 H MET A 31 7.657 2.739 -7.135 1.00 41.44 H new ATOM 0 HA MET A 31 6.928 0.773 -9.077 1.00 12.24 H new ATOM 0 HB2 MET A 31 5.658 1.309 -6.363 1.00 71.01 H new ATOM 0 HB3 MET A 31 5.690 -0.209 -7.238 1.00 71.01 H new ATOM 0 HG2 MET A 31 8.078 -0.440 -6.885 1.00 43.32 H new ATOM 0 HG3 MET A 31 8.181 1.169 -6.197 1.00 43.32 H new ATOM 0 HE1 MET A 31 9.216 -1.228 -3.681 1.00 3.12 H new ATOM 0 HE2 MET A 31 9.508 0.252 -4.625 1.00 3.12 H new ATOM 0 HE3 MET A 31 8.769 0.358 -3.010 1.00 3.12 H new ATOM 508 N GLY A 32 5.010 3.311 -8.711 1.00 5.25 N ATOM 509 CA GLY A 32 3.756 3.934 -9.075 1.00 1.04 C ATOM 510 C GLY A 32 2.967 4.341 -7.853 1.00 1.53 C ATOM 511 O GLY A 32 1.841 4.830 -7.958 1.00 53.24 O ATOM 0 H GLY A 32 5.721 3.954 -8.362 1.00 5.25 H new ATOM 0 HA2 GLY A 32 3.950 4.810 -9.693 1.00 1.04 H new ATOM 0 HA3 GLY A 32 3.166 3.243 -9.677 1.00 1.04 H new ATOM 515 N ILE A 33 3.563 4.125 -6.689 1.00 11.41 N ATOM 516 CA ILE A 33 2.952 4.494 -5.426 1.00 50.11 C ATOM 517 C ILE A 33 3.442 5.878 -5.012 1.00 31.20 C ATOM 518 O ILE A 33 4.496 6.014 -4.389 1.00 71.13 O ATOM 519 CB ILE A 33 3.299 3.468 -4.325 1.00 55.22 C ATOM 520 CG1 ILE A 33 2.945 2.049 -4.784 1.00 42.33 C ATOM 521 CG2 ILE A 33 2.575 3.804 -3.030 1.00 4.53 C ATOM 522 CD1 ILE A 33 3.415 0.968 -3.832 1.00 33.13 C ATOM 0 H ILE A 33 4.481 3.690 -6.597 1.00 11.41 H new ATOM 0 HA ILE A 33 1.870 4.507 -5.553 1.00 50.11 H new ATOM 0 HB ILE A 33 4.372 3.515 -4.140 1.00 55.22 H new ATOM 0 HG12 ILE A 33 1.864 1.973 -4.901 1.00 42.33 H new ATOM 0 HG13 ILE A 33 3.385 1.873 -5.766 1.00 42.33 H new ATOM 0 HG21 ILE A 33 2.833 3.069 -2.268 1.00 4.53 H new ATOM 0 HG22 ILE A 33 2.874 4.797 -2.693 1.00 4.53 H new ATOM 0 HG23 ILE A 33 1.498 3.787 -3.200 1.00 4.53 H new ATOM 0 HD11 ILE A 33 3.129 -0.009 -4.222 1.00 33.13 H new ATOM 0 HD12 ILE A 33 4.499 1.017 -3.733 1.00 33.13 H new ATOM 0 HD13 ILE A 33 2.955 1.118 -2.855 1.00 33.13 H new ATOM 534 N THR A 34 2.706 6.907 -5.399 1.00 34.02 N ATOM 535 CA THR A 34 3.131 8.274 -5.143 1.00 73.11 C ATOM 536 C THR A 34 2.113 9.050 -4.323 1.00 21.10 C ATOM 537 O THR A 34 2.414 9.554 -3.238 1.00 2.14 O ATOM 538 CB THR A 34 3.358 9.011 -6.475 1.00 73.13 C ATOM 539 OG1 THR A 34 2.223 8.807 -7.329 1.00 72.03 O ATOM 540 CG2 THR A 34 4.616 8.519 -7.172 1.00 51.53 C ATOM 0 H THR A 34 1.816 6.823 -5.889 1.00 34.02 H new ATOM 0 HA THR A 34 4.058 8.218 -4.572 1.00 73.11 H new ATOM 0 HB THR A 34 3.483 10.073 -6.263 1.00 73.13 H new ATOM 0 HG1 THR A 34 2.364 9.277 -8.178 1.00 72.03 H new ATOM 0 HG21 THR A 34 4.748 9.059 -8.109 1.00 51.53 H new ATOM 0 HG22 THR A 34 5.479 8.692 -6.529 1.00 51.53 H new ATOM 0 HG23 THR A 34 4.525 7.453 -7.378 1.00 51.53 H new ATOM 548 N ARG A 35 0.904 9.119 -4.846 1.00 63.01 N ATOM 549 CA ARG A 35 -0.142 9.948 -4.269 1.00 13.14 C ATOM 550 C ARG A 35 -1.452 9.735 -5.018 1.00 31.42 C ATOM 551 O ARG A 35 -1.453 9.623 -6.244 1.00 61.31 O ATOM 552 CB ARG A 35 0.267 11.421 -4.371 1.00 35.40 C ATOM 553 CG ARG A 35 -0.600 12.374 -3.570 1.00 42.43 C ATOM 554 CD ARG A 35 -0.338 12.239 -2.080 1.00 14.51 C ATOM 555 NE ARG A 35 -0.870 13.376 -1.338 1.00 73.51 N ATOM 556 CZ ARG A 35 -0.120 14.182 -0.588 1.00 3.02 C ATOM 557 NH1 ARG A 35 1.178 13.935 -0.439 1.00 1.40 N ATOM 558 NH2 ARG A 35 -0.664 15.228 0.017 1.00 43.04 N ATOM 0 H ARG A 35 0.618 8.605 -5.679 1.00 63.01 H new ATOM 0 HA ARG A 35 -0.281 9.673 -3.224 1.00 13.14 H new ATOM 0 HB2 ARG A 35 1.300 11.522 -4.037 1.00 35.40 H new ATOM 0 HB3 ARG A 35 0.241 11.720 -5.419 1.00 35.40 H new ATOM 0 HG2 ARG A 35 -0.404 13.399 -3.884 1.00 42.43 H new ATOM 0 HG3 ARG A 35 -1.651 12.173 -3.776 1.00 42.43 H new ATOM 0 HD2 ARG A 35 -0.792 11.319 -1.712 1.00 14.51 H new ATOM 0 HD3 ARG A 35 0.735 12.158 -1.904 1.00 14.51 H new ATOM 0 HE ARG A 35 -1.871 13.564 -1.396 1.00 73.51 H new ATOM 0 HH11 ARG A 35 1.600 13.128 -0.899 1.00 1.40 H new ATOM 0 HH12 ARG A 35 1.752 14.552 0.135 1.00 1.40 H new ATOM 0 HH21 ARG A 35 -1.660 15.418 -0.091 1.00 43.04 H new ATOM 0 HH22 ARG A 35 -0.086 15.843 0.590 1.00 43.04 H new ATOM 572 N GLY A 36 -2.556 9.639 -4.280 1.00 25.31 N ATOM 573 CA GLY A 36 -3.873 9.598 -4.901 1.00 4.41 C ATOM 574 C GLY A 36 -4.247 8.225 -5.432 1.00 60.20 C ATOM 575 O GLY A 36 -5.429 7.886 -5.508 1.00 51.23 O ATOM 0 H GLY A 36 -2.563 9.589 -3.261 1.00 25.31 H new ATOM 0 HA2 GLY A 36 -4.620 9.914 -4.173 1.00 4.41 H new ATOM 0 HA3 GLY A 36 -3.903 10.317 -5.720 1.00 4.41 H new ATOM 579 N CYS A 37 -3.245 7.446 -5.818 1.00 63.32 N ATOM 580 CA CYS A 37 -3.470 6.099 -6.323 1.00 74.42 C ATOM 581 C CYS A 37 -4.081 5.221 -5.242 1.00 61.32 C ATOM 582 O CYS A 37 -3.728 5.323 -4.065 1.00 35.13 O ATOM 583 CB CYS A 37 -2.158 5.474 -6.810 1.00 14.10 C ATOM 584 SG CYS A 37 -2.328 3.822 -7.532 1.00 1.20 S ATOM 0 H CYS A 37 -2.265 7.726 -5.791 1.00 63.32 H new ATOM 0 HA CYS A 37 -4.161 6.167 -7.163 1.00 74.42 H new ATOM 0 HB2 CYS A 37 -1.710 6.135 -7.552 1.00 14.10 H new ATOM 0 HB3 CYS A 37 -1.464 5.419 -5.971 1.00 14.10 H new ATOM 0 HG CYS A 37 -1.161 3.392 -7.911 1.00 1.20 H new ATOM 590 N GLU A 38 -5.009 4.376 -5.647 1.00 31.43 N ATOM 591 CA GLU A 38 -5.602 3.418 -4.738 1.00 32.21 C ATOM 592 C GLU A 38 -5.064 2.023 -5.033 1.00 2.14 C ATOM 593 O GLU A 38 -5.015 1.584 -6.182 1.00 31.45 O ATOM 594 CB GLU A 38 -7.138 3.485 -4.781 1.00 72.40 C ATOM 595 CG GLU A 38 -7.740 3.731 -6.160 1.00 20.25 C ATOM 596 CD GLU A 38 -7.907 2.470 -6.982 1.00 62.54 C ATOM 597 OE1 GLU A 38 -8.719 1.607 -6.591 1.00 43.14 O ATOM 598 OE2 GLU A 38 -7.256 2.353 -8.044 1.00 73.04 O ATOM 0 H GLU A 38 -5.368 4.334 -6.601 1.00 31.43 H new ATOM 0 HA GLU A 38 -5.318 3.671 -3.716 1.00 32.21 H new ATOM 0 HB2 GLU A 38 -7.537 2.549 -4.390 1.00 72.40 H new ATOM 0 HB3 GLU A 38 -7.470 4.278 -4.111 1.00 72.40 H new ATOM 0 HG2 GLU A 38 -8.712 4.210 -6.043 1.00 20.25 H new ATOM 0 HG3 GLU A 38 -7.105 4.429 -6.705 1.00 20.25 H new ATOM 606 N ILE A 39 -4.617 1.357 -3.986 1.00 42.43 N ATOM 607 CA ILE A 39 -3.950 0.085 -4.105 1.00 34.24 C ATOM 608 C ILE A 39 -4.834 -1.027 -3.586 1.00 1.23 C ATOM 609 O ILE A 39 -5.306 -0.992 -2.448 1.00 22.14 O ATOM 610 CB ILE A 39 -2.622 0.072 -3.318 1.00 64.13 C ATOM 611 CG1 ILE A 39 -1.696 1.183 -3.818 1.00 53.51 C ATOM 612 CG2 ILE A 39 -1.942 -1.287 -3.432 1.00 5.23 C ATOM 613 CD1 ILE A 39 -0.388 1.269 -3.060 1.00 71.13 C ATOM 0 H ILE A 39 -4.709 1.689 -3.026 1.00 42.43 H new ATOM 0 HA ILE A 39 -3.739 -0.072 -5.163 1.00 34.24 H new ATOM 0 HB ILE A 39 -2.843 0.254 -2.266 1.00 64.13 H new ATOM 0 HG12 ILE A 39 -1.484 1.020 -4.875 1.00 53.51 H new ATOM 0 HG13 ILE A 39 -2.214 2.139 -3.741 1.00 53.51 H new ATOM 0 HG21 ILE A 39 -1.008 -1.275 -2.870 1.00 5.23 H new ATOM 0 HG22 ILE A 39 -2.599 -2.057 -3.028 1.00 5.23 H new ATOM 0 HG23 ILE A 39 -1.732 -1.502 -4.480 1.00 5.23 H new ATOM 0 HD11 ILE A 39 0.217 2.078 -3.469 1.00 71.13 H new ATOM 0 HD12 ILE A 39 -0.590 1.464 -2.007 1.00 71.13 H new ATOM 0 HD13 ILE A 39 0.152 0.327 -3.158 1.00 71.13 H new ATOM 625 N TYR A 40 -5.073 -1.995 -4.438 1.00 21.21 N ATOM 626 CA TYR A 40 -5.771 -3.197 -4.042 1.00 74.35 C ATOM 627 C TYR A 40 -4.779 -4.211 -3.486 1.00 34.05 C ATOM 628 O TYR A 40 -3.961 -4.765 -4.226 1.00 11.13 O ATOM 629 CB TYR A 40 -6.533 -3.796 -5.228 1.00 23.21 C ATOM 630 CG TYR A 40 -7.144 -5.147 -4.933 1.00 35.51 C ATOM 631 CD1 TYR A 40 -8.235 -5.268 -4.085 1.00 44.00 C ATOM 632 CD2 TYR A 40 -6.627 -6.300 -5.507 1.00 44.24 C ATOM 633 CE1 TYR A 40 -8.794 -6.502 -3.816 1.00 42.21 C ATOM 634 CE2 TYR A 40 -7.178 -7.537 -5.245 1.00 72.10 C ATOM 635 CZ TYR A 40 -8.259 -7.633 -4.398 1.00 11.15 C ATOM 636 OH TYR A 40 -8.812 -8.866 -4.136 1.00 34.43 O ATOM 0 H TYR A 40 -4.792 -1.974 -5.418 1.00 21.21 H new ATOM 0 HA TYR A 40 -6.493 -2.942 -3.267 1.00 74.35 H new ATOM 0 HB2 TYR A 40 -7.323 -3.107 -5.528 1.00 23.21 H new ATOM 0 HB3 TYR A 40 -5.854 -3.891 -6.075 1.00 23.21 H new ATOM 0 HD1 TYR A 40 -8.654 -4.384 -3.628 1.00 44.00 H new ATOM 0 HD2 TYR A 40 -5.778 -6.227 -6.171 1.00 44.24 H new ATOM 0 HE1 TYR A 40 -9.644 -6.581 -3.155 1.00 42.21 H new ATOM 0 HE2 TYR A 40 -6.764 -8.424 -5.701 1.00 72.10 H new ATOM 0 HH TYR A 40 -8.318 -9.557 -4.625 1.00 34.43 H new ATOM 646 N ILE A 41 -4.828 -4.424 -2.181 1.00 1.31 N ATOM 647 CA ILE A 41 -3.985 -5.424 -1.546 1.00 54.05 C ATOM 648 C ILE A 41 -4.454 -6.813 -1.963 1.00 3.23 C ATOM 649 O ILE A 41 -5.538 -7.250 -1.580 1.00 4.04 O ATOM 650 CB ILE A 41 -4.015 -5.299 -0.009 1.00 14.14 C ATOM 651 CG1 ILE A 41 -3.666 -3.868 0.411 1.00 60.04 C ATOM 652 CG2 ILE A 41 -3.045 -6.292 0.621 1.00 34.13 C ATOM 653 CD1 ILE A 41 -3.729 -3.642 1.905 1.00 64.00 C ATOM 0 H ILE A 41 -5.441 -3.919 -1.542 1.00 1.31 H new ATOM 0 HA ILE A 41 -2.957 -5.263 -1.870 1.00 54.05 H new ATOM 0 HB ILE A 41 -5.021 -5.529 0.343 1.00 14.14 H new ATOM 0 HG12 ILE A 41 -2.663 -3.629 0.058 1.00 60.04 H new ATOM 0 HG13 ILE A 41 -4.350 -3.177 -0.082 1.00 60.04 H new ATOM 0 HG21 ILE A 41 -3.076 -6.193 1.706 1.00 34.13 H new ATOM 0 HG22 ILE A 41 -3.330 -7.306 0.341 1.00 34.13 H new ATOM 0 HG23 ILE A 41 -2.034 -6.088 0.267 1.00 34.13 H new ATOM 0 HD11 ILE A 41 -3.470 -2.607 2.128 1.00 64.00 H new ATOM 0 HD12 ILE A 41 -4.738 -3.848 2.262 1.00 64.00 H new ATOM 0 HD13 ILE A 41 -3.025 -4.308 2.404 1.00 64.00 H new ATOM 665 N ARG A 42 -3.643 -7.492 -2.762 1.00 52.14 N ATOM 666 CA ARG A 42 -4.053 -8.756 -3.348 1.00 64.42 C ATOM 667 C ARG A 42 -3.896 -9.888 -2.342 1.00 20.54 C ATOM 668 O ARG A 42 -4.836 -10.638 -2.099 1.00 61.10 O ATOM 669 CB ARG A 42 -3.254 -9.047 -4.627 1.00 72.01 C ATOM 670 CG ARG A 42 -4.057 -9.789 -5.695 1.00 70.12 C ATOM 671 CD ARG A 42 -4.239 -11.264 -5.365 1.00 35.21 C ATOM 672 NE ARG A 42 -3.139 -12.084 -5.872 1.00 24.42 N ATOM 673 CZ ARG A 42 -2.910 -13.346 -5.506 1.00 14.21 C ATOM 674 NH1 ARG A 42 -3.657 -13.924 -4.576 1.00 51.04 N ATOM 675 NH2 ARG A 42 -1.934 -14.030 -6.081 1.00 30.01 N ATOM 0 H ARG A 42 -2.703 -7.189 -3.017 1.00 52.14 H new ATOM 0 HA ARG A 42 -5.107 -8.683 -3.617 1.00 64.42 H new ATOM 0 HB2 ARG A 42 -2.895 -8.106 -5.043 1.00 72.01 H new ATOM 0 HB3 ARG A 42 -2.375 -9.638 -4.370 1.00 72.01 H new ATOM 0 HG2 ARG A 42 -5.035 -9.320 -5.801 1.00 70.12 H new ATOM 0 HG3 ARG A 42 -3.552 -9.694 -6.656 1.00 70.12 H new ATOM 0 HD2 ARG A 42 -4.313 -11.386 -4.284 1.00 35.21 H new ATOM 0 HD3 ARG A 42 -5.179 -11.616 -5.791 1.00 35.21 H new ATOM 0 HE ARG A 42 -2.505 -11.663 -6.551 1.00 24.42 H new ATOM 0 HH11 ARG A 42 -4.414 -13.403 -4.134 1.00 51.04 H new ATOM 0 HH12 ARG A 42 -3.474 -14.890 -4.303 1.00 51.04 H new ATOM 0 HH21 ARG A 42 -1.360 -13.592 -6.801 1.00 30.01 H new ATOM 0 HH22 ARG A 42 -1.756 -14.995 -5.804 1.00 30.01 H new ATOM 689 N LYS A 43 -2.718 -10.005 -1.743 1.00 51.02 N ATOM 690 CA LYS A 43 -2.475 -11.087 -0.802 1.00 52.42 C ATOM 691 C LYS A 43 -1.315 -10.763 0.126 1.00 70.21 C ATOM 692 O LYS A 43 -0.204 -10.482 -0.321 1.00 5.45 O ATOM 693 CB LYS A 43 -2.195 -12.393 -1.554 1.00 10.25 C ATOM 694 CG LYS A 43 -2.190 -13.619 -0.657 1.00 53.15 C ATOM 695 CD LYS A 43 -1.995 -14.897 -1.455 1.00 13.21 C ATOM 696 CE LYS A 43 -2.175 -16.129 -0.584 1.00 31.30 C ATOM 697 NZ LYS A 43 -3.521 -16.164 0.048 1.00 15.13 N ATOM 0 H LYS A 43 -1.929 -9.375 -1.889 1.00 51.02 H new ATOM 0 HA LYS A 43 -3.372 -11.208 -0.195 1.00 52.42 H new ATOM 0 HB2 LYS A 43 -2.948 -12.524 -2.331 1.00 10.25 H new ATOM 0 HB3 LYS A 43 -1.230 -12.315 -2.055 1.00 10.25 H new ATOM 0 HG2 LYS A 43 -1.394 -13.526 0.082 1.00 53.15 H new ATOM 0 HG3 LYS A 43 -3.130 -13.672 -0.108 1.00 53.15 H new ATOM 0 HD2 LYS A 43 -2.708 -14.925 -2.279 1.00 13.21 H new ATOM 0 HD3 LYS A 43 -0.998 -14.904 -1.896 1.00 13.21 H new ATOM 0 HE2 LYS A 43 -2.033 -17.025 -1.188 1.00 31.30 H new ATOM 0 HE3 LYS A 43 -1.409 -16.142 0.191 1.00 31.30 H new ATOM 0 HZ1 LYS A 43 -3.747 -17.139 0.329 1.00 15.13 H new ATOM 0 HZ2 LYS A 43 -3.526 -15.552 0.889 1.00 15.13 H new ATOM 0 HZ3 LYS A 43 -4.232 -15.826 -0.631 1.00 15.13 H new ATOM 711 N VAL A 44 -1.585 -10.792 1.418 1.00 75.51 N ATOM 712 CA VAL A 44 -0.547 -10.625 2.418 1.00 33.33 C ATOM 713 C VAL A 44 -0.095 -11.990 2.913 1.00 44.21 C ATOM 714 O VAL A 44 -0.925 -12.835 3.259 1.00 40.15 O ATOM 715 CB VAL A 44 -1.036 -9.797 3.626 1.00 44.32 C ATOM 716 CG1 VAL A 44 0.099 -9.549 4.606 1.00 13.12 C ATOM 717 CG2 VAL A 44 -1.652 -8.484 3.168 1.00 64.22 C ATOM 0 H VAL A 44 -2.520 -10.931 1.801 1.00 75.51 H new ATOM 0 HA VAL A 44 0.278 -10.090 1.948 1.00 33.33 H new ATOM 0 HB VAL A 44 -1.807 -10.371 4.140 1.00 44.32 H new ATOM 0 HG11 VAL A 44 -0.269 -8.964 5.449 1.00 13.12 H new ATOM 0 HG12 VAL A 44 0.483 -10.503 4.967 1.00 13.12 H new ATOM 0 HG13 VAL A 44 0.898 -9.002 4.106 1.00 13.12 H new ATOM 0 HG21 VAL A 44 -1.989 -7.918 4.036 1.00 64.22 H new ATOM 0 HG22 VAL A 44 -0.908 -7.903 2.623 1.00 64.22 H new ATOM 0 HG23 VAL A 44 -2.501 -8.688 2.516 1.00 64.22 H new ATOM 727 N ALA A 45 1.210 -12.211 2.924 1.00 55.21 N ATOM 728 CA ALA A 45 1.758 -13.466 3.411 1.00 54.43 C ATOM 729 C ALA A 45 1.598 -13.561 4.927 1.00 42.52 C ATOM 730 O ALA A 45 1.708 -12.557 5.630 1.00 0.43 O ATOM 731 CB ALA A 45 3.226 -13.591 3.019 1.00 54.12 C ATOM 0 H ALA A 45 1.907 -11.540 2.602 1.00 55.21 H new ATOM 0 HA ALA A 45 1.208 -14.288 2.953 1.00 54.43 H new ATOM 0 HB1 ALA A 45 3.623 -14.536 3.391 1.00 54.12 H new ATOM 0 HB2 ALA A 45 3.316 -13.561 1.933 1.00 54.12 H new ATOM 0 HB3 ALA A 45 3.790 -12.765 3.453 1.00 54.12 H new ATOM 737 N PRO A 46 1.337 -14.771 5.452 1.00 32.02 N ATOM 738 CA PRO A 46 1.181 -14.992 6.895 1.00 34.13 C ATOM 739 C PRO A 46 2.461 -14.675 7.665 1.00 54.41 C ATOM 740 O PRO A 46 2.433 -14.446 8.874 1.00 74.43 O ATOM 741 CB PRO A 46 0.839 -16.481 7.004 1.00 3.31 C ATOM 742 CG PRO A 46 1.312 -17.082 5.726 1.00 3.05 C ATOM 743 CD PRO A 46 1.161 -16.013 4.683 1.00 31.25 C ATOM 0 HA PRO A 46 0.419 -14.343 7.326 1.00 34.13 H new ATOM 0 HB2 PRO A 46 1.334 -16.937 7.861 1.00 3.31 H new ATOM 0 HB3 PRO A 46 -0.232 -16.631 7.137 1.00 3.31 H new ATOM 0 HG2 PRO A 46 2.350 -17.404 5.807 1.00 3.05 H new ATOM 0 HG3 PRO A 46 0.725 -17.963 5.469 1.00 3.05 H new ATOM 0 HD2 PRO A 46 1.909 -16.109 3.896 1.00 31.25 H new ATOM 0 HD3 PRO A 46 0.184 -16.054 4.202 1.00 31.25 H new ATOM 751 N LEU A 47 3.581 -14.661 6.952 1.00 32.33 N ATOM 752 CA LEU A 47 4.860 -14.275 7.536 1.00 74.22 C ATOM 753 C LEU A 47 4.876 -12.779 7.814 1.00 33.03 C ATOM 754 O LEU A 47 5.600 -12.297 8.685 1.00 15.05 O ATOM 755 CB LEU A 47 6.000 -14.634 6.583 1.00 23.21 C ATOM 756 CG LEU A 47 6.070 -16.108 6.192 1.00 13.14 C ATOM 757 CD1 LEU A 47 7.091 -16.322 5.085 1.00 24.10 C ATOM 758 CD2 LEU A 47 6.415 -16.963 7.401 1.00 34.41 C ATOM 0 H LEU A 47 3.629 -14.913 5.965 1.00 32.33 H new ATOM 0 HA LEU A 47 4.995 -14.814 8.474 1.00 74.22 H new ATOM 0 HB2 LEU A 47 5.898 -14.037 5.677 1.00 23.21 H new ATOM 0 HB3 LEU A 47 6.945 -14.351 7.047 1.00 23.21 H new ATOM 0 HG LEU A 47 5.091 -16.410 5.820 1.00 13.14 H new ATOM 0 HD11 LEU A 47 7.125 -17.379 4.821 1.00 24.10 H new ATOM 0 HD12 LEU A 47 6.806 -15.738 4.210 1.00 24.10 H new ATOM 0 HD13 LEU A 47 8.074 -16.002 5.430 1.00 24.10 H new ATOM 0 HD21 LEU A 47 6.461 -18.011 7.104 1.00 34.41 H new ATOM 0 HD22 LEU A 47 7.382 -16.656 7.800 1.00 34.41 H new ATOM 0 HD23 LEU A 47 5.650 -16.836 8.167 1.00 34.41 H new ATOM 770 N GLY A 48 4.059 -12.055 7.061 1.00 12.24 N ATOM 771 CA GLY A 48 4.001 -10.618 7.187 1.00 1.22 C ATOM 772 C GLY A 48 4.894 -9.932 6.178 1.00 33.41 C ATOM 773 O GLY A 48 4.769 -8.734 5.934 1.00 53.35 O ATOM 0 H GLY A 48 3.430 -12.445 6.359 1.00 12.24 H new ATOM 0 HA2 GLY A 48 2.973 -10.282 7.051 1.00 1.22 H new ATOM 0 HA3 GLY A 48 4.300 -10.329 8.194 1.00 1.22 H new ATOM 777 N ASP A 49 5.786 -10.708 5.586 1.00 64.34 N ATOM 778 CA ASP A 49 6.748 -10.193 4.628 1.00 64.51 C ATOM 779 C ASP A 49 7.003 -11.223 3.535 1.00 10.35 C ATOM 780 O ASP A 49 7.320 -12.378 3.827 1.00 22.22 O ATOM 781 CB ASP A 49 8.054 -9.844 5.349 1.00 12.33 C ATOM 782 CG ASP A 49 9.158 -9.406 4.409 1.00 60.40 C ATOM 783 OD1 ASP A 49 9.099 -8.267 3.898 1.00 24.34 O ATOM 784 OD2 ASP A 49 10.105 -10.191 4.200 1.00 30.41 O ATOM 0 H ASP A 49 5.863 -11.711 5.756 1.00 64.34 H new ATOM 0 HA ASP A 49 6.347 -9.292 4.165 1.00 64.51 H new ATOM 0 HB2 ASP A 49 7.862 -9.048 6.069 1.00 12.33 H new ATOM 0 HB3 ASP A 49 8.391 -10.712 5.915 1.00 12.33 H new ATOM 790 N PRO A 50 6.830 -10.832 2.265 1.00 51.31 N ATOM 791 CA PRO A 50 6.334 -9.513 1.892 1.00 72.32 C ATOM 792 C PRO A 50 4.820 -9.496 1.661 1.00 5.23 C ATOM 793 O PRO A 50 4.126 -10.492 1.886 1.00 40.05 O ATOM 794 CB PRO A 50 7.078 -9.262 0.584 1.00 4.54 C ATOM 795 CG PRO A 50 7.222 -10.613 -0.039 1.00 70.25 C ATOM 796 CD PRO A 50 7.149 -11.633 1.078 1.00 65.13 C ATOM 0 HA PRO A 50 6.499 -8.763 2.666 1.00 72.32 H new ATOM 0 HB2 PRO A 50 6.521 -8.585 -0.064 1.00 4.54 H new ATOM 0 HB3 PRO A 50 8.050 -8.804 0.764 1.00 4.54 H new ATOM 0 HG2 PRO A 50 6.432 -10.786 -0.770 1.00 70.25 H new ATOM 0 HG3 PRO A 50 8.170 -10.692 -0.571 1.00 70.25 H new ATOM 0 HD2 PRO A 50 6.383 -12.384 0.884 1.00 65.13 H new ATOM 0 HD3 PRO A 50 8.093 -12.165 1.196 1.00 65.13 H new ATOM 804 N ILE A 51 4.321 -8.356 1.214 1.00 52.14 N ATOM 805 CA ILE A 51 2.911 -8.191 0.900 1.00 22.23 C ATOM 806 C ILE A 51 2.729 -8.004 -0.605 1.00 23.13 C ATOM 807 O ILE A 51 3.474 -7.253 -1.234 1.00 52.21 O ATOM 808 CB ILE A 51 2.316 -6.972 1.644 1.00 11.13 C ATOM 809 CG1 ILE A 51 2.435 -7.168 3.158 1.00 54.30 C ATOM 810 CG2 ILE A 51 0.863 -6.748 1.248 1.00 13.33 C ATOM 811 CD1 ILE A 51 1.879 -6.016 3.969 1.00 72.11 C ATOM 0 H ILE A 51 4.882 -7.518 1.058 1.00 52.14 H new ATOM 0 HA ILE A 51 2.386 -9.089 1.225 1.00 22.23 H new ATOM 0 HB ILE A 51 2.883 -6.086 1.358 1.00 11.13 H new ATOM 0 HG12 ILE A 51 1.913 -8.083 3.439 1.00 54.30 H new ATOM 0 HG13 ILE A 51 3.485 -7.308 3.415 1.00 54.30 H new ATOM 0 HG21 ILE A 51 0.468 -5.885 1.785 1.00 13.33 H new ATOM 0 HG22 ILE A 51 0.802 -6.566 0.175 1.00 13.33 H new ATOM 0 HG23 ILE A 51 0.277 -7.632 1.500 1.00 13.33 H new ATOM 0 HD11 ILE A 51 1.999 -6.228 5.031 1.00 72.11 H new ATOM 0 HD12 ILE A 51 2.417 -5.102 3.718 1.00 72.11 H new ATOM 0 HD13 ILE A 51 0.821 -5.889 3.742 1.00 72.11 H new ATOM 823 N GLN A 52 1.750 -8.691 -1.182 1.00 75.50 N ATOM 824 CA GLN A 52 1.475 -8.567 -2.608 1.00 45.34 C ATOM 825 C GLN A 52 0.345 -7.572 -2.842 1.00 14.50 C ATOM 826 O GLN A 52 -0.803 -7.818 -2.457 1.00 22.44 O ATOM 827 CB GLN A 52 1.092 -9.924 -3.209 1.00 4.34 C ATOM 828 CG GLN A 52 2.131 -11.015 -2.993 1.00 22.12 C ATOM 829 CD GLN A 52 3.487 -10.680 -3.590 1.00 5.21 C ATOM 830 OE1 GLN A 52 3.589 -9.948 -4.574 1.00 23.30 O ATOM 831 NE2 GLN A 52 4.541 -11.224 -3.000 1.00 65.23 N ATOM 0 H GLN A 52 1.136 -9.337 -0.687 1.00 75.50 H new ATOM 0 HA GLN A 52 2.381 -8.209 -3.096 1.00 45.34 H new ATOM 0 HB2 GLN A 52 0.146 -10.247 -2.775 1.00 4.34 H new ATOM 0 HB3 GLN A 52 0.927 -9.802 -4.279 1.00 4.34 H new ATOM 0 HG2 GLN A 52 2.246 -11.191 -1.923 1.00 22.12 H new ATOM 0 HG3 GLN A 52 1.768 -11.945 -3.432 1.00 22.12 H new ATOM 0 HE21 GLN A 52 4.416 -11.826 -2.186 1.00 65.23 H new ATOM 0 HE22 GLN A 52 5.478 -11.041 -3.360 1.00 65.23 H new ATOM 840 N ILE A 53 0.664 -6.457 -3.475 1.00 42.22 N ATOM 841 CA ILE A 53 -0.325 -5.429 -3.760 1.00 52.51 C ATOM 842 C ILE A 53 -0.437 -5.206 -5.261 1.00 63.33 C ATOM 843 O ILE A 53 0.569 -5.161 -5.962 1.00 45.41 O ATOM 844 CB ILE A 53 0.034 -4.095 -3.071 1.00 23.04 C ATOM 845 CG1 ILE A 53 1.463 -3.673 -3.440 1.00 21.10 C ATOM 846 CG2 ILE A 53 -0.127 -4.215 -1.559 1.00 24.21 C ATOM 847 CD1 ILE A 53 1.861 -2.320 -2.896 1.00 63.44 C ATOM 0 H ILE A 53 1.605 -6.238 -3.803 1.00 42.22 H new ATOM 0 HA ILE A 53 -1.281 -5.776 -3.368 1.00 52.51 H new ATOM 0 HB ILE A 53 -0.651 -3.323 -3.423 1.00 23.04 H new ATOM 0 HG12 ILE A 53 2.161 -4.423 -3.068 1.00 21.10 H new ATOM 0 HG13 ILE A 53 1.559 -3.660 -4.526 1.00 21.10 H new ATOM 0 HG21 ILE A 53 0.130 -3.266 -1.089 1.00 24.21 H new ATOM 0 HG22 ILE A 53 -1.160 -4.469 -1.322 1.00 24.21 H new ATOM 0 HG23 ILE A 53 0.534 -4.996 -1.184 1.00 24.21 H new ATOM 0 HD11 ILE A 53 2.883 -2.092 -3.199 1.00 63.44 H new ATOM 0 HD12 ILE A 53 1.188 -1.558 -3.289 1.00 63.44 H new ATOM 0 HD13 ILE A 53 1.799 -2.333 -1.808 1.00 63.44 H new ATOM 859 N ASN A 54 -1.655 -5.079 -5.762 1.00 43.04 N ATOM 860 CA ASN A 54 -1.852 -4.944 -7.195 1.00 11.11 C ATOM 861 C ASN A 54 -1.918 -3.476 -7.591 1.00 2.13 C ATOM 862 O ASN A 54 -2.886 -2.777 -7.284 1.00 25.34 O ATOM 863 CB ASN A 54 -3.123 -5.669 -7.643 1.00 72.00 C ATOM 864 CG ASN A 54 -3.201 -5.804 -9.150 1.00 60.24 C ATOM 865 OD1 ASN A 54 -3.696 -4.917 -9.847 1.00 52.11 O ATOM 866 ND2 ASN A 54 -2.720 -6.925 -9.660 1.00 11.53 N ATOM 0 H ASN A 54 -2.511 -5.067 -5.207 1.00 43.04 H new ATOM 0 HA ASN A 54 -1.000 -5.403 -7.695 1.00 11.11 H new ATOM 0 HB2 ASN A 54 -3.154 -6.659 -7.189 1.00 72.00 H new ATOM 0 HB3 ASN A 54 -3.996 -5.125 -7.282 1.00 72.00 H new ATOM 0 HD21 ASN A 54 -2.750 -7.081 -10.668 1.00 11.53 H new ATOM 0 HD22 ASN A 54 -2.319 -7.634 -9.046 1.00 11.53 H new ATOM 873 N VAL A 55 -0.878 -3.023 -8.269 1.00 53.25 N ATOM 874 CA VAL A 55 -0.799 -1.659 -8.765 1.00 3.34 C ATOM 875 C VAL A 55 -0.373 -1.687 -10.223 1.00 43.45 C ATOM 876 O VAL A 55 0.492 -2.477 -10.598 1.00 3.22 O ATOM 877 CB VAL A 55 0.210 -0.806 -7.956 1.00 43.15 C ATOM 878 CG1 VAL A 55 0.279 0.618 -8.489 1.00 44.14 C ATOM 879 CG2 VAL A 55 -0.146 -0.793 -6.479 1.00 63.01 C ATOM 0 H VAL A 55 -0.062 -3.592 -8.492 1.00 53.25 H new ATOM 0 HA VAL A 55 -1.783 -1.203 -8.657 1.00 3.34 H new ATOM 0 HB VAL A 55 1.191 -1.266 -8.073 1.00 43.15 H new ATOM 0 HG11 VAL A 55 0.995 1.192 -7.901 1.00 44.14 H new ATOM 0 HG12 VAL A 55 0.596 0.601 -9.532 1.00 44.14 H new ATOM 0 HG13 VAL A 55 -0.705 1.082 -8.416 1.00 44.14 H new ATOM 0 HG21 VAL A 55 0.579 -0.187 -5.935 1.00 63.01 H new ATOM 0 HG22 VAL A 55 -1.142 -0.371 -6.349 1.00 63.01 H new ATOM 0 HG23 VAL A 55 -0.130 -1.812 -6.092 1.00 63.01 H new ATOM 889 N ARG A 56 -1.008 -0.854 -11.043 1.00 64.12 N ATOM 890 CA ARG A 56 -0.690 -0.763 -12.470 1.00 40.32 C ATOM 891 C ARG A 56 -1.001 -2.080 -13.177 1.00 3.23 C ATOM 892 O ARG A 56 -0.481 -2.356 -14.259 1.00 51.02 O ATOM 893 CB ARG A 56 0.788 -0.386 -12.685 1.00 62.33 C ATOM 894 CG ARG A 56 1.241 0.816 -11.870 1.00 65.52 C ATOM 895 CD ARG A 56 0.416 2.053 -12.184 1.00 44.21 C ATOM 896 NE ARG A 56 0.631 3.113 -11.200 1.00 3.53 N ATOM 897 CZ ARG A 56 0.698 4.410 -11.500 1.00 2.22 C ATOM 898 NH1 ARG A 56 0.638 4.804 -12.765 1.00 10.31 N ATOM 899 NH2 ARG A 56 0.854 5.307 -10.537 1.00 51.02 N ATOM 0 H ARG A 56 -1.753 -0.226 -10.742 1.00 64.12 H new ATOM 0 HA ARG A 56 -1.312 0.022 -12.899 1.00 40.32 H new ATOM 0 HB2 ARG A 56 1.412 -1.242 -12.430 1.00 62.33 H new ATOM 0 HB3 ARG A 56 0.950 -0.178 -13.743 1.00 62.33 H new ATOM 0 HG2 ARG A 56 1.161 0.586 -10.808 1.00 65.52 H new ATOM 0 HG3 ARG A 56 2.292 1.019 -12.074 1.00 65.52 H new ATOM 0 HD2 ARG A 56 0.675 2.421 -13.177 1.00 44.21 H new ATOM 0 HD3 ARG A 56 -0.641 1.788 -12.208 1.00 44.21 H new ATOM 0 HE ARG A 56 0.736 2.843 -10.222 1.00 3.53 H new ATOM 0 HH11 ARG A 56 0.540 4.114 -13.510 1.00 10.31 H new ATOM 0 HH12 ARG A 56 0.689 5.797 -12.993 1.00 10.31 H new ATOM 0 HH21 ARG A 56 0.923 5.005 -9.565 1.00 51.02 H new ATOM 0 HH22 ARG A 56 0.905 6.299 -10.768 1.00 51.02 H new ATOM 913 N GLY A 57 -1.863 -2.884 -12.563 1.00 11.13 N ATOM 914 CA GLY A 57 -2.225 -4.168 -13.135 1.00 44.45 C ATOM 915 C GLY A 57 -1.194 -5.244 -12.845 1.00 10.45 C ATOM 916 O GLY A 57 -1.173 -6.289 -13.502 1.00 20.30 O ATOM 0 H GLY A 57 -2.319 -2.668 -11.676 1.00 11.13 H new ATOM 0 HA2 GLY A 57 -3.192 -4.479 -12.739 1.00 44.45 H new ATOM 0 HA3 GLY A 57 -2.342 -4.062 -14.214 1.00 44.45 H new ATOM 920 N TYR A 58 -0.337 -4.992 -11.863 1.00 75.30 N ATOM 921 CA TYR A 58 0.700 -5.942 -11.493 1.00 2.40 C ATOM 922 C TYR A 58 0.794 -6.041 -9.975 1.00 62.31 C ATOM 923 O TYR A 58 0.708 -5.033 -9.278 1.00 55.12 O ATOM 924 CB TYR A 58 2.045 -5.493 -12.069 1.00 14.20 C ATOM 925 CG TYR A 58 2.905 -6.623 -12.585 1.00 10.14 C ATOM 926 CD1 TYR A 58 3.701 -7.373 -11.731 1.00 24.34 C ATOM 927 CD2 TYR A 58 2.920 -6.936 -13.939 1.00 63.11 C ATOM 928 CE1 TYR A 58 4.491 -8.400 -12.210 1.00 41.11 C ATOM 929 CE2 TYR A 58 3.705 -7.961 -14.425 1.00 30.43 C ATOM 930 CZ TYR A 58 4.487 -8.690 -13.560 1.00 2.22 C ATOM 931 OH TYR A 58 5.269 -9.712 -14.044 1.00 24.41 O ATOM 0 H TYR A 58 -0.341 -4.136 -11.309 1.00 75.30 H new ATOM 0 HA TYR A 58 0.447 -6.922 -11.899 1.00 2.40 H new ATOM 0 HB2 TYR A 58 1.863 -4.789 -12.881 1.00 14.20 H new ATOM 0 HB3 TYR A 58 2.596 -4.954 -11.298 1.00 14.20 H new ATOM 0 HD1 TYR A 58 3.703 -7.150 -10.674 1.00 24.34 H new ATOM 0 HD2 TYR A 58 2.307 -6.367 -14.622 1.00 63.11 H new ATOM 0 HE1 TYR A 58 5.108 -8.972 -11.533 1.00 41.11 H new ATOM 0 HE2 TYR A 58 3.705 -8.190 -15.480 1.00 30.43 H new ATOM 0 HH TYR A 58 5.149 -9.785 -15.014 1.00 24.41 H new ATOM 941 N GLU A 59 0.943 -7.250 -9.458 1.00 12.12 N ATOM 942 CA GLU A 59 1.112 -7.437 -8.026 1.00 0.22 C ATOM 943 C GLU A 59 2.575 -7.268 -7.637 1.00 75.20 C ATOM 944 O GLU A 59 3.434 -8.083 -7.987 1.00 64.14 O ATOM 945 CB GLU A 59 0.570 -8.799 -7.555 1.00 52.22 C ATOM 946 CG GLU A 59 1.030 -9.997 -8.377 1.00 20.40 C ATOM 947 CD GLU A 59 0.270 -10.136 -9.677 1.00 60.44 C ATOM 948 OE1 GLU A 59 -0.796 -10.782 -9.677 1.00 75.24 O ATOM 949 OE2 GLU A 59 0.732 -9.597 -10.700 1.00 72.33 O ATOM 0 H GLU A 59 0.950 -8.111 -10.004 1.00 12.12 H new ATOM 0 HA GLU A 59 0.526 -6.669 -7.522 1.00 0.22 H new ATOM 0 HB2 GLU A 59 0.869 -8.953 -6.518 1.00 52.22 H new ATOM 0 HB3 GLU A 59 -0.519 -8.764 -7.570 1.00 52.22 H new ATOM 0 HG2 GLU A 59 2.094 -9.899 -8.591 1.00 20.40 H new ATOM 0 HG3 GLU A 59 0.906 -10.906 -7.789 1.00 20.40 H new ATOM 957 N LEU A 60 2.845 -6.185 -6.928 1.00 43.31 N ATOM 958 CA LEU A 60 4.192 -5.852 -6.505 1.00 11.53 C ATOM 959 C LEU A 60 4.437 -6.364 -5.096 1.00 20.51 C ATOM 960 O LEU A 60 3.568 -6.254 -4.230 1.00 72.14 O ATOM 961 CB LEU A 60 4.396 -4.335 -6.549 1.00 43.30 C ATOM 962 CG LEU A 60 4.036 -3.669 -7.877 1.00 45.42 C ATOM 963 CD1 LEU A 60 4.196 -2.162 -7.777 1.00 10.04 C ATOM 964 CD2 LEU A 60 4.895 -4.220 -9.008 1.00 12.23 C ATOM 0 H LEU A 60 2.137 -5.514 -6.631 1.00 43.31 H new ATOM 0 HA LEU A 60 4.901 -6.326 -7.184 1.00 11.53 H new ATOM 0 HB2 LEU A 60 3.798 -3.881 -5.759 1.00 43.30 H new ATOM 0 HB3 LEU A 60 5.440 -4.118 -6.323 1.00 43.30 H new ATOM 0 HG LEU A 60 2.993 -3.894 -8.099 1.00 45.42 H new ATOM 0 HD11 LEU A 60 3.936 -1.704 -8.731 1.00 10.04 H new ATOM 0 HD12 LEU A 60 3.538 -1.777 -6.998 1.00 10.04 H new ATOM 0 HD13 LEU A 60 5.230 -1.922 -7.530 1.00 10.04 H new ATOM 0 HD21 LEU A 60 4.622 -3.732 -9.943 1.00 12.23 H new ATOM 0 HD22 LEU A 60 5.946 -4.029 -8.793 1.00 12.23 H new ATOM 0 HD23 LEU A 60 4.733 -5.294 -9.098 1.00 12.23 H new ATOM 976 N SER A 61 5.603 -6.943 -4.875 1.00 61.32 N ATOM 977 CA SER A 61 5.960 -7.435 -3.559 1.00 24.43 C ATOM 978 C SER A 61 6.564 -6.318 -2.719 1.00 54.14 C ATOM 979 O SER A 61 7.710 -5.911 -2.931 1.00 32.32 O ATOM 980 CB SER A 61 6.940 -8.598 -3.684 1.00 3.10 C ATOM 981 OG SER A 61 6.398 -9.625 -4.499 1.00 64.21 O ATOM 0 H SER A 61 6.317 -7.084 -5.589 1.00 61.32 H new ATOM 0 HA SER A 61 5.058 -7.789 -3.060 1.00 24.43 H new ATOM 0 HB2 SER A 61 7.878 -8.245 -4.111 1.00 3.10 H new ATOM 0 HB3 SER A 61 7.169 -8.995 -2.695 1.00 3.10 H new ATOM 0 HG SER A 61 7.041 -10.361 -4.568 1.00 64.21 H new ATOM 987 N LEU A 62 5.789 -5.823 -1.770 1.00 2.53 N ATOM 988 CA LEU A 62 6.249 -4.769 -0.889 1.00 3.42 C ATOM 989 C LEU A 62 6.526 -5.344 0.489 1.00 64.01 C ATOM 990 O LEU A 62 5.667 -5.995 1.081 1.00 32.13 O ATOM 991 CB LEU A 62 5.212 -3.648 -0.800 1.00 23.50 C ATOM 992 CG LEU A 62 5.689 -2.383 -0.086 1.00 30.51 C ATOM 993 CD1 LEU A 62 6.841 -1.742 -0.846 1.00 33.32 C ATOM 994 CD2 LEU A 62 4.544 -1.400 0.070 1.00 1.41 C ATOM 0 H LEU A 62 4.835 -6.137 -1.591 1.00 2.53 H new ATOM 0 HA LEU A 62 7.169 -4.347 -1.293 1.00 3.42 H new ATOM 0 HB2 LEU A 62 4.899 -3.381 -1.810 1.00 23.50 H new ATOM 0 HB3 LEU A 62 4.331 -4.029 -0.283 1.00 23.50 H new ATOM 0 HG LEU A 62 6.045 -2.661 0.906 1.00 30.51 H new ATOM 0 HD11 LEU A 62 7.167 -0.843 -0.323 1.00 33.32 H new ATOM 0 HD12 LEU A 62 7.671 -2.446 -0.910 1.00 33.32 H new ATOM 0 HD13 LEU A 62 6.512 -1.477 -1.851 1.00 33.32 H new ATOM 0 HD21 LEU A 62 4.900 -0.505 0.580 1.00 1.41 H new ATOM 0 HD22 LEU A 62 4.161 -1.129 -0.914 1.00 1.41 H new ATOM 0 HD23 LEU A 62 3.748 -1.859 0.656 1.00 1.41 H new ATOM 1006 N ARG A 63 7.730 -5.122 0.984 1.00 2.24 N ATOM 1007 CA ARG A 63 8.142 -5.692 2.260 1.00 1.43 C ATOM 1008 C ARG A 63 7.449 -4.997 3.424 1.00 42.35 C ATOM 1009 O ARG A 63 7.029 -3.839 3.311 1.00 42.41 O ATOM 1010 CB ARG A 63 9.658 -5.601 2.425 1.00 22.14 C ATOM 1011 CG ARG A 63 10.429 -6.170 1.247 1.00 41.32 C ATOM 1012 CD ARG A 63 11.800 -6.657 1.669 1.00 32.41 C ATOM 1013 NE ARG A 63 11.712 -7.863 2.488 1.00 50.02 N ATOM 1014 CZ ARG A 63 12.738 -8.673 2.728 1.00 62.22 C ATOM 1015 NH1 ARG A 63 13.954 -8.355 2.307 1.00 45.23 N ATOM 1016 NH2 ARG A 63 12.550 -9.789 3.411 1.00 45.10 N ATOM 0 H ARG A 63 8.441 -4.552 0.525 1.00 2.24 H new ATOM 0 HA ARG A 63 7.848 -6.742 2.264 1.00 1.43 H new ATOM 0 HB2 ARG A 63 9.939 -4.557 2.563 1.00 22.14 H new ATOM 0 HB3 ARG A 63 9.950 -6.132 3.331 1.00 22.14 H new ATOM 0 HG2 ARG A 63 9.868 -6.994 0.806 1.00 41.32 H new ATOM 0 HG3 ARG A 63 10.533 -5.407 0.476 1.00 41.32 H new ATOM 0 HD2 ARG A 63 12.403 -6.860 0.784 1.00 32.41 H new ATOM 0 HD3 ARG A 63 12.309 -5.872 2.229 1.00 32.41 H new ATOM 0 HE ARG A 63 10.809 -8.098 2.900 1.00 50.02 H new ATOM 0 HH11 ARG A 63 14.106 -7.485 1.796 1.00 45.23 H new ATOM 0 HH12 ARG A 63 14.738 -8.980 2.494 1.00 45.23 H new ATOM 0 HH21 ARG A 63 11.619 -10.027 3.753 1.00 45.10 H new ATOM 0 HH22 ARG A 63 13.336 -10.412 3.596 1.00 45.10 H new ATOM 1030 N LYS A 64 7.349 -5.703 4.548 1.00 31.12 N ATOM 1031 CA LYS A 64 6.663 -5.192 5.734 1.00 53.44 C ATOM 1032 C LYS A 64 7.314 -3.910 6.251 1.00 54.15 C ATOM 1033 O LYS A 64 6.656 -3.087 6.886 1.00 40.50 O ATOM 1034 CB LYS A 64 6.613 -6.265 6.839 1.00 24.24 C ATOM 1035 CG LYS A 64 7.955 -6.917 7.168 1.00 20.11 C ATOM 1036 CD LYS A 64 8.794 -6.082 8.126 1.00 75.33 C ATOM 1037 CE LYS A 64 8.177 -6.024 9.514 1.00 52.34 C ATOM 1038 NZ LYS A 64 9.000 -5.216 10.448 1.00 43.41 N ATOM 0 H LYS A 64 7.738 -6.639 4.663 1.00 31.12 H new ATOM 0 HA LYS A 64 5.641 -4.947 5.445 1.00 53.44 H new ATOM 0 HB2 LYS A 64 6.214 -5.812 7.747 1.00 24.24 H new ATOM 0 HB3 LYS A 64 5.912 -7.043 6.537 1.00 24.24 H new ATOM 0 HG2 LYS A 64 7.779 -7.899 7.607 1.00 20.11 H new ATOM 0 HG3 LYS A 64 8.514 -7.075 6.245 1.00 20.11 H new ATOM 0 HD2 LYS A 64 9.797 -6.503 8.192 1.00 75.33 H new ATOM 0 HD3 LYS A 64 8.898 -5.071 7.732 1.00 75.33 H new ATOM 0 HE2 LYS A 64 7.176 -5.598 9.450 1.00 52.34 H new ATOM 0 HE3 LYS A 64 8.068 -7.035 9.906 1.00 52.34 H new ATOM 0 HZ1 LYS A 64 8.547 -5.200 11.384 1.00 43.41 H new ATOM 0 HZ2 LYS A 64 9.948 -5.637 10.529 1.00 43.41 H new ATOM 0 HZ3 LYS A 64 9.083 -4.244 10.086 1.00 43.41 H new ATOM 1052 N SER A 65 8.599 -3.743 5.964 1.00 43.41 N ATOM 1053 CA SER A 65 9.329 -2.553 6.368 1.00 11.14 C ATOM 1054 C SER A 65 8.687 -1.304 5.765 1.00 63.51 C ATOM 1055 O SER A 65 8.414 -0.330 6.465 1.00 35.24 O ATOM 1056 CB SER A 65 10.788 -2.670 5.929 1.00 2.30 C ATOM 1057 OG SER A 65 11.329 -3.921 6.325 1.00 72.21 O ATOM 0 H SER A 65 9.158 -4.423 5.449 1.00 43.41 H new ATOM 0 HA SER A 65 9.292 -2.465 7.454 1.00 11.14 H new ATOM 0 HB2 SER A 65 10.858 -2.564 4.846 1.00 2.30 H new ATOM 0 HB3 SER A 65 11.371 -1.860 6.367 1.00 2.30 H new ATOM 0 HG SER A 65 12.263 -3.980 6.035 1.00 72.21 H new ATOM 1063 N ALA A 66 8.427 -1.356 4.464 1.00 42.10 N ATOM 1064 CA ALA A 66 7.796 -0.245 3.764 1.00 45.02 C ATOM 1065 C ALA A 66 6.301 -0.197 4.060 1.00 72.33 C ATOM 1066 O ALA A 66 5.726 0.876 4.223 1.00 45.14 O ATOM 1067 CB ALA A 66 8.045 -0.350 2.267 1.00 72.45 C ATOM 0 H ALA A 66 8.644 -2.158 3.872 1.00 42.10 H new ATOM 0 HA ALA A 66 8.241 0.683 4.123 1.00 45.02 H new ATOM 0 HB1 ALA A 66 7.567 0.488 1.759 1.00 72.45 H new ATOM 0 HB2 ALA A 66 9.118 -0.327 2.074 1.00 72.45 H new ATOM 0 HB3 ALA A 66 7.629 -1.286 1.894 1.00 72.45 H new ATOM 1073 N ALA A 67 5.679 -1.368 4.141 1.00 2.30 N ATOM 1074 CA ALA A 67 4.242 -1.463 4.376 1.00 35.14 C ATOM 1075 C ALA A 67 3.845 -0.831 5.708 1.00 12.25 C ATOM 1076 O ALA A 67 2.784 -0.215 5.821 1.00 3.43 O ATOM 1077 CB ALA A 67 3.793 -2.912 4.319 1.00 2.44 C ATOM 0 H ALA A 67 6.149 -2.268 4.047 1.00 2.30 H new ATOM 0 HA ALA A 67 3.739 -0.905 3.586 1.00 35.14 H new ATOM 0 HB1 ALA A 67 2.719 -2.967 4.496 1.00 2.44 H new ATOM 0 HB2 ALA A 67 4.020 -3.325 3.336 1.00 2.44 H new ATOM 0 HB3 ALA A 67 4.317 -3.486 5.084 1.00 2.44 H new ATOM 1083 N GLU A 68 4.702 -0.979 6.712 1.00 4.05 N ATOM 1084 CA GLU A 68 4.456 -0.382 8.022 1.00 22.42 C ATOM 1085 C GLU A 68 4.946 1.064 8.072 1.00 11.44 C ATOM 1086 O GLU A 68 4.882 1.713 9.115 1.00 23.41 O ATOM 1087 CB GLU A 68 5.140 -1.195 9.125 1.00 4.01 C ATOM 1088 CG GLU A 68 4.404 -2.477 9.480 1.00 12.42 C ATOM 1089 CD GLU A 68 3.082 -2.220 10.187 1.00 63.45 C ATOM 1090 OE1 GLU A 68 2.299 -1.371 9.719 1.00 12.35 O ATOM 1091 OE2 GLU A 68 2.812 -2.885 11.207 1.00 70.11 O ATOM 0 H GLU A 68 5.573 -1.506 6.645 1.00 4.05 H new ATOM 0 HA GLU A 68 3.379 -0.390 8.188 1.00 22.42 H new ATOM 0 HB2 GLU A 68 6.153 -1.443 8.807 1.00 4.01 H new ATOM 0 HB3 GLU A 68 5.229 -0.577 10.019 1.00 4.01 H new ATOM 0 HG2 GLU A 68 4.219 -3.049 8.570 1.00 12.42 H new ATOM 0 HG3 GLU A 68 5.039 -3.091 10.119 1.00 12.42 H new ATOM 1099 N MET A 69 5.433 1.568 6.943 1.00 53.21 N ATOM 1100 CA MET A 69 5.984 2.917 6.887 1.00 72.41 C ATOM 1101 C MET A 69 5.126 3.825 6.002 1.00 53.42 C ATOM 1102 O MET A 69 5.223 5.056 6.064 1.00 31.53 O ATOM 1103 CB MET A 69 7.424 2.876 6.364 1.00 43.51 C ATOM 1104 CG MET A 69 8.190 4.167 6.590 1.00 61.34 C ATOM 1105 SD MET A 69 8.362 4.574 8.342 1.00 55.12 S ATOM 1106 CE MET A 69 9.322 3.173 8.918 1.00 74.42 C ATOM 0 H MET A 69 5.457 1.064 6.057 1.00 53.21 H new ATOM 0 HA MET A 69 5.982 3.328 7.897 1.00 72.41 H new ATOM 0 HB2 MET A 69 7.955 2.058 6.851 1.00 43.51 H new ATOM 0 HB3 MET A 69 7.408 2.655 5.297 1.00 43.51 H new ATOM 0 HG2 MET A 69 9.180 4.081 6.142 1.00 61.34 H new ATOM 0 HG3 MET A 69 7.678 4.983 6.080 1.00 61.34 H new ATOM 0 HE1 MET A 69 9.795 3.422 9.868 1.00 74.42 H new ATOM 0 HE2 MET A 69 8.666 2.313 9.053 1.00 74.42 H new ATOM 0 HE3 MET A 69 10.090 2.931 8.183 1.00 74.42 H new ATOM 1116 N ILE A 70 4.283 3.217 5.181 1.00 61.53 N ATOM 1117 CA ILE A 70 3.409 3.969 4.292 1.00 54.01 C ATOM 1118 C ILE A 70 2.103 4.336 4.991 1.00 33.21 C ATOM 1119 O ILE A 70 1.496 3.506 5.668 1.00 2.15 O ATOM 1120 CB ILE A 70 3.097 3.178 2.999 1.00 3.31 C ATOM 1121 CG1 ILE A 70 4.389 2.885 2.229 1.00 71.20 C ATOM 1122 CG2 ILE A 70 2.122 3.944 2.113 1.00 20.44 C ATOM 1123 CD1 ILE A 70 4.179 2.077 0.967 1.00 24.12 C ATOM 0 H ILE A 70 4.185 2.204 5.112 1.00 61.53 H new ATOM 0 HA ILE A 70 3.939 4.882 4.022 1.00 54.01 H new ATOM 0 HB ILE A 70 2.632 2.234 3.284 1.00 3.31 H new ATOM 0 HG12 ILE A 70 4.868 3.829 1.969 1.00 71.20 H new ATOM 0 HG13 ILE A 70 5.076 2.348 2.883 1.00 71.20 H new ATOM 0 HG21 ILE A 70 1.919 3.367 1.211 1.00 20.44 H new ATOM 0 HG22 ILE A 70 1.191 4.109 2.655 1.00 20.44 H new ATOM 0 HG23 ILE A 70 2.558 4.905 1.838 1.00 20.44 H new ATOM 0 HD11 ILE A 70 5.139 1.910 0.478 1.00 24.12 H new ATOM 0 HD12 ILE A 70 3.729 1.117 1.220 1.00 24.12 H new ATOM 0 HD13 ILE A 70 3.518 2.621 0.293 1.00 24.12 H new ATOM 1135 N GLU A 71 1.690 5.585 4.826 1.00 2.42 N ATOM 1136 CA GLU A 71 0.436 6.070 5.384 1.00 32.23 C ATOM 1137 C GLU A 71 -0.635 6.036 4.300 1.00 24.13 C ATOM 1138 O GLU A 71 -0.533 6.741 3.292 1.00 73.23 O ATOM 1139 CB GLU A 71 0.615 7.500 5.899 1.00 65.20 C ATOM 1140 CG GLU A 71 -0.614 8.104 6.564 1.00 72.02 C ATOM 1141 CD GLU A 71 -0.725 7.755 8.035 1.00 4.21 C ATOM 1142 OE1 GLU A 71 0.271 7.945 8.769 1.00 15.01 O ATOM 1143 OE2 GLU A 71 -1.813 7.326 8.472 1.00 2.40 O ATOM 0 H GLU A 71 2.213 6.288 4.304 1.00 2.42 H new ATOM 0 HA GLU A 71 0.133 5.434 6.216 1.00 32.23 H new ATOM 0 HB2 GLU A 71 1.439 7.512 6.613 1.00 65.20 H new ATOM 0 HB3 GLU A 71 0.907 8.137 5.064 1.00 65.20 H new ATOM 0 HG2 GLU A 71 -0.583 9.188 6.455 1.00 72.02 H new ATOM 0 HG3 GLU A 71 -1.508 7.757 6.046 1.00 72.02 H new ATOM 1151 N VAL A 72 -1.645 5.210 4.496 1.00 20.15 N ATOM 1152 CA VAL A 72 -2.690 5.051 3.503 1.00 73.34 C ATOM 1153 C VAL A 72 -4.057 5.362 4.093 1.00 42.14 C ATOM 1154 O VAL A 72 -4.181 5.677 5.277 1.00 31.44 O ATOM 1155 CB VAL A 72 -2.708 3.627 2.904 1.00 25.13 C ATOM 1156 CG1 VAL A 72 -1.459 3.375 2.076 1.00 52.44 C ATOM 1157 CG2 VAL A 72 -2.840 2.582 3.999 1.00 22.51 C ATOM 0 H VAL A 72 -1.764 4.639 5.333 1.00 20.15 H new ATOM 0 HA VAL A 72 -2.469 5.759 2.705 1.00 73.34 H new ATOM 0 HB VAL A 72 -3.576 3.548 2.249 1.00 25.13 H new ATOM 0 HG11 VAL A 72 -1.493 2.366 1.664 1.00 52.44 H new ATOM 0 HG12 VAL A 72 -1.410 4.098 1.262 1.00 52.44 H new ATOM 0 HG13 VAL A 72 -0.577 3.479 2.707 1.00 52.44 H new ATOM 0 HG21 VAL A 72 -2.850 1.587 3.553 1.00 22.51 H new ATOM 0 HG22 VAL A 72 -1.996 2.664 4.684 1.00 22.51 H new ATOM 0 HG23 VAL A 72 -3.768 2.744 4.547 1.00 22.51 H new ATOM 1167 N GLU A 73 -5.073 5.274 3.256 1.00 63.23 N ATOM 1168 CA GLU A 73 -6.439 5.505 3.680 1.00 51.11 C ATOM 1169 C GLU A 73 -7.353 4.453 3.077 1.00 3.41 C ATOM 1170 O GLU A 73 -7.293 4.189 1.880 1.00 1.22 O ATOM 1171 CB GLU A 73 -6.909 6.896 3.248 1.00 70.31 C ATOM 1172 CG GLU A 73 -8.339 7.214 3.658 1.00 74.34 C ATOM 1173 CD GLU A 73 -8.898 8.427 2.945 1.00 32.20 C ATOM 1174 OE1 GLU A 73 -8.533 9.565 3.307 1.00 74.15 O ATOM 1175 OE2 GLU A 73 -9.719 8.253 2.023 1.00 41.34 O ATOM 0 H GLU A 73 -4.975 5.041 2.268 1.00 63.23 H new ATOM 0 HA GLU A 73 -6.477 5.442 4.768 1.00 51.11 H new ATOM 0 HB2 GLU A 73 -6.243 7.644 3.677 1.00 70.31 H new ATOM 0 HB3 GLU A 73 -6.825 6.978 2.164 1.00 70.31 H new ATOM 0 HG2 GLU A 73 -8.972 6.352 3.449 1.00 74.34 H new ATOM 0 HG3 GLU A 73 -8.375 7.382 4.734 1.00 74.34 H new ATOM 1183 N LEU A 74 -8.179 3.845 3.907 1.00 61.34 N ATOM 1184 CA LEU A 74 -9.188 2.924 3.413 1.00 75.31 C ATOM 1185 C LEU A 74 -10.249 3.734 2.684 1.00 4.45 C ATOM 1186 O LEU A 74 -11.016 4.465 3.317 1.00 40.21 O ATOM 1187 CB LEU A 74 -9.818 2.130 4.564 1.00 4.41 C ATOM 1188 CG LEU A 74 -9.846 0.605 4.380 1.00 42.53 C ATOM 1189 CD1 LEU A 74 -10.569 0.223 3.101 1.00 34.53 C ATOM 1190 CD2 LEU A 74 -8.434 0.042 4.384 1.00 10.32 C ATOM 0 H LEU A 74 -8.173 3.970 4.919 1.00 61.34 H new ATOM 0 HA LEU A 74 -8.729 2.204 2.735 1.00 75.31 H new ATOM 0 HB2 LEU A 74 -9.273 2.358 5.480 1.00 4.41 H new ATOM 0 HB3 LEU A 74 -10.840 2.480 4.706 1.00 4.41 H new ATOM 0 HG LEU A 74 -10.394 0.174 5.218 1.00 42.53 H new ATOM 0 HD11 LEU A 74 -10.574 -0.862 2.996 1.00 34.53 H new ATOM 0 HD12 LEU A 74 -11.595 0.588 3.140 1.00 34.53 H new ATOM 0 HD13 LEU A 74 -10.058 0.668 2.247 1.00 34.53 H new ATOM 0 HD21 LEU A 74 -8.473 -1.039 4.253 1.00 10.32 H new ATOM 0 HD22 LEU A 74 -7.863 0.486 3.569 1.00 10.32 H new ATOM 0 HD23 LEU A 74 -7.952 0.275 5.334 1.00 10.32 H new