USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 760 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 3 HIS :FLIP no HD1:sc= 0 F(o=0.01,f=1.2) USER MOD Set 1.2: A 103 THR OG1 : rot 81:sc= 1.22 USER MOD Set 2.1: A 99 ASN : amide:sc= -2.01! X(o=-2!,f=-1.7) USER MOD Set 2.2: A 102 MET CE :methyl -126:sc= -0.0226 (180deg=-1.69!) USER MOD Set 3.1: A 93 ASN : amide:sc= 0.633 K(o=0.63,f=-9!) USER MOD Set 3.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 38 HIS : no HD1:sc=-0.00211 X(o=0.14,f=0.12) USER MOD Set 4.2: A 85 GLN : amide:sc= 0.311 X(o=0.14,f=-0.068) USER MOD Set 4.3: A 87 HIS : no HE2:sc= -0.17 X(o=0.14,f=-0.068) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0309) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -2.05! C(o=-3!,f=-2!) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0247 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -20:sc= 0.453 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0666 USER MOD Single : A 36 LYS NZ :NH3+ -153:sc= 1.25 (180deg=1.04) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 43 SER OG : rot 88:sc= 0.305 USER MOD Single : A 44 THR OG1 : rot -9:sc= -0.238! USER MOD Single : A 47 LYS NZ :NH3+ -120:sc= 0.902 (180deg=-0.112) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0259 F(o=-1.4,f=-0.026) USER MOD Single : A 51 THR OG1 : rot -12:sc= -1.09! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 150:sc= 0.235 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -159:sc= 0 (180deg=-0.237) USER MOD Single : A 59 MET CE :methyl -162:sc= -0.117 (180deg=-0.644) USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= 2.37 (180deg=2.15) USER MOD Single : A 88 MET CE :methyl -148:sc= -0.828 (180deg=-2.12!) USER MOD Single : A 90 SER OG : rot -69:sc= 0.438 USER MOD Single : A 92 ASN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 97 MET CE :methyl -161:sc= -2.36! (180deg=-4.35!) USER MOD Single : A 101 LYS NZ :NH3+ -151:sc= 1.21 (180deg=1.17) USER MOD Single : A 105 GLN :FLIP amide:sc= -0.0484 F(o=-1.8!,f=-0.048) USER MOD Single : A 106 GLN : amide:sc= 1.23 K(o=1.2,f=-0.073) USER MOD Single : A 109 SER OG : rot 76:sc= 1.12 USER MOD Single : A 111 TYR OH : rot 180:sc= -0.143 USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 14.546 -2.879 2.595 1.00 0.35 N ATOM 29 CA HIS A 3 14.029 -1.577 2.183 1.00 0.24 C ATOM 30 C HIS A 3 13.949 -1.494 0.664 1.00 0.16 C ATOM 31 O HIS A 3 13.919 -0.409 0.085 1.00 0.19 O ATOM 32 CB HIS A 3 14.921 -0.446 2.716 1.00 0.32 C ATOM 33 CG HIS A 3 15.213 -0.533 4.186 1.00 0.71 C ATOM 34 ND1 HIS A 3 14.433 -0.907 5.225 1.00 1.12 N flip ATOM 35 CD2 HIS A 3 16.438 -0.215 4.728 1.00 1.43 C flip ATOM 36 CE1 HIS A 3 15.191 -0.813 6.365 1.00 1.64 C flip ATOM 37 NE2 HIS A 3 16.397 -0.393 6.035 1.00 1.85 N flip ATOM 0 HA HIS A 3 13.029 -1.463 2.600 1.00 0.24 H new ATOM 0 HB2 HIS A 3 15.864 -0.453 2.169 1.00 0.32 H new ATOM 0 HB3 HIS A 3 14.440 0.510 2.509 1.00 0.32 H new ATOM 0 HD2 HIS A 3 17.298 0.127 4.171 1.00 1.43 H new ATOM 0 HE1 HIS A 3 14.856 -1.044 7.365 1.00 1.64 H new ATOM 0 HE2 HIS A 3 17.169 -0.233 6.682 1.00 1.85 H new ATOM 46 N SER A 4 13.924 -2.648 0.031 1.00 0.14 N ATOM 47 CA SER A 4 13.856 -2.739 -1.423 1.00 0.13 C ATOM 48 C SER A 4 13.445 -4.152 -1.841 1.00 0.15 C ATOM 49 O SER A 4 13.757 -5.123 -1.149 1.00 0.24 O ATOM 50 CB SER A 4 15.202 -2.370 -2.049 1.00 0.17 C ATOM 51 OG SER A 4 16.224 -3.253 -1.616 1.00 0.95 O ATOM 0 H SER A 4 13.950 -3.551 0.504 1.00 0.14 H new ATOM 0 HA SER A 4 13.107 -2.033 -1.781 1.00 0.13 H new ATOM 0 HB2 SER A 4 15.123 -2.404 -3.136 1.00 0.17 H new ATOM 0 HB3 SER A 4 15.463 -1.346 -1.781 1.00 0.17 H new ATOM 0 HG SER A 4 17.074 -2.998 -2.031 1.00 0.95 H new ATOM 57 N GLY A 5 12.750 -4.261 -2.961 1.00 0.14 N ATOM 58 CA GLY A 5 12.307 -5.551 -3.453 1.00 0.15 C ATOM 59 C GLY A 5 11.557 -5.408 -4.759 1.00 0.15 C ATOM 60 O GLY A 5 10.834 -4.437 -4.945 1.00 0.16 O ATOM 0 H GLY A 5 12.481 -3.470 -3.546 1.00 0.14 H new ATOM 0 HA2 GLY A 5 13.168 -6.205 -3.594 1.00 0.15 H new ATOM 0 HA3 GLY A 5 11.664 -6.025 -2.711 1.00 0.15 H new ATOM 64 N ALA A 6 11.731 -6.352 -5.669 1.00 0.16 N ATOM 65 CA ALA A 6 11.088 -6.265 -6.976 1.00 0.17 C ATOM 66 C ALA A 6 9.594 -6.597 -6.878 1.00 0.21 C ATOM 67 O ALA A 6 9.226 -7.691 -6.449 1.00 0.43 O ATOM 68 CB ALA A 6 11.770 -7.190 -7.969 1.00 0.21 C ATOM 0 H ALA A 6 12.307 -7.183 -5.532 1.00 0.16 H new ATOM 0 HA ALA A 6 11.186 -5.239 -7.330 1.00 0.17 H new ATOM 0 HB1 ALA A 6 11.277 -7.111 -8.938 1.00 0.21 H new ATOM 0 HB2 ALA A 6 12.817 -6.906 -8.071 1.00 0.21 H new ATOM 0 HB3 ALA A 6 11.706 -8.218 -7.612 1.00 0.21 H new ATOM 74 N ALA A 7 8.739 -5.663 -7.287 1.00 0.11 N ATOM 75 CA ALA A 7 7.290 -5.843 -7.174 1.00 0.12 C ATOM 76 C ALA A 7 6.578 -5.506 -8.476 1.00 0.12 C ATOM 77 O ALA A 7 7.083 -4.758 -9.302 1.00 0.13 O ATOM 78 CB ALA A 7 6.723 -4.974 -6.060 1.00 0.12 C ATOM 0 H ALA A 7 9.022 -4.774 -7.700 1.00 0.11 H new ATOM 0 HA ALA A 7 7.119 -6.894 -6.943 1.00 0.12 H new ATOM 0 HB1 ALA A 7 5.645 -5.124 -5.994 1.00 0.12 H new ATOM 0 HB2 ALA A 7 7.186 -5.249 -5.112 1.00 0.12 H new ATOM 0 HB3 ALA A 7 6.931 -3.926 -6.275 1.00 0.12 H new ATOM 84 N ILE A 8 5.390 -6.061 -8.634 1.00 0.15 N ATOM 85 CA ILE A 8 4.531 -5.769 -9.770 1.00 0.19 C ATOM 86 C ILE A 8 3.548 -4.674 -9.388 1.00 0.22 C ATOM 87 O ILE A 8 2.694 -4.868 -8.520 1.00 0.26 O ATOM 88 CB ILE A 8 3.733 -7.019 -10.232 1.00 0.23 C ATOM 89 CG1 ILE A 8 4.636 -8.085 -10.879 1.00 0.26 C ATOM 90 CG2 ILE A 8 2.634 -6.615 -11.198 1.00 0.29 C ATOM 91 CD1 ILE A 8 5.563 -8.797 -9.914 1.00 0.25 C ATOM 0 H ILE A 8 4.991 -6.730 -7.976 1.00 0.15 H new ATOM 0 HA ILE A 8 5.169 -5.449 -10.594 1.00 0.19 H new ATOM 0 HB ILE A 8 3.291 -7.464 -9.340 1.00 0.23 H new ATOM 0 HG12 ILE A 8 4.006 -8.826 -11.371 1.00 0.26 H new ATOM 0 HG13 ILE A 8 5.236 -7.611 -11.656 1.00 0.26 H new ATOM 0 HG21 ILE A 8 2.083 -7.501 -11.513 1.00 0.29 H new ATOM 0 HG22 ILE A 8 1.953 -5.921 -10.705 1.00 0.29 H new ATOM 0 HG23 ILE A 8 3.075 -6.133 -12.070 1.00 0.29 H new ATOM 0 HD11 ILE A 8 6.161 -9.529 -10.457 1.00 0.25 H new ATOM 0 HD12 ILE A 8 6.223 -8.070 -9.440 1.00 0.25 H new ATOM 0 HD13 ILE A 8 4.973 -9.304 -9.150 1.00 0.25 H new ATOM 103 N PHE A 9 3.674 -3.530 -10.029 1.00 0.28 N ATOM 104 CA PHE A 9 2.815 -2.402 -9.736 1.00 0.34 C ATOM 105 C PHE A 9 2.089 -1.960 -10.995 1.00 0.46 C ATOM 106 O PHE A 9 2.712 -1.455 -11.927 1.00 0.52 O ATOM 107 CB PHE A 9 3.640 -1.257 -9.142 1.00 0.35 C ATOM 108 CG PHE A 9 2.903 0.041 -8.970 1.00 0.40 C ATOM 109 CD1 PHE A 9 1.977 0.205 -7.954 1.00 0.40 C ATOM 110 CD2 PHE A 9 3.157 1.108 -9.819 1.00 0.50 C ATOM 111 CE1 PHE A 9 1.318 1.406 -7.788 1.00 0.45 C ATOM 112 CE2 PHE A 9 2.498 2.310 -9.658 1.00 0.56 C ATOM 113 CZ PHE A 9 1.576 2.459 -8.642 1.00 0.52 C ATOM 0 H PHE A 9 4.366 -3.357 -10.759 1.00 0.28 H new ATOM 0 HA PHE A 9 2.067 -2.699 -9.001 1.00 0.34 H new ATOM 0 HB2 PHE A 9 4.021 -1.571 -8.170 1.00 0.35 H new ATOM 0 HB3 PHE A 9 4.505 -1.083 -9.783 1.00 0.35 H new ATOM 0 HD1 PHE A 9 1.768 -0.616 -7.284 1.00 0.40 H new ATOM 0 HD2 PHE A 9 3.878 0.997 -10.615 1.00 0.50 H new ATOM 0 HE1 PHE A 9 0.600 1.522 -6.990 1.00 0.45 H new ATOM 0 HE2 PHE A 9 2.704 3.133 -10.326 1.00 0.56 H new ATOM 0 HZ PHE A 9 1.057 3.398 -8.515 1.00 0.52 H new ATOM 123 N GLU A 10 0.775 -2.178 -11.007 1.00 0.58 N ATOM 124 CA GLU A 10 -0.075 -1.886 -12.160 1.00 0.73 C ATOM 125 C GLU A 10 0.183 -2.879 -13.280 1.00 0.64 C ATOM 126 O GLU A 10 0.357 -2.508 -14.442 1.00 0.67 O ATOM 127 CB GLU A 10 0.110 -0.453 -12.657 1.00 0.87 C ATOM 128 CG GLU A 10 -0.227 0.592 -11.611 1.00 0.98 C ATOM 129 CD GLU A 10 -0.289 1.991 -12.184 1.00 1.21 C ATOM 130 OE1 GLU A 10 0.780 2.615 -12.361 1.00 1.25 O ATOM 131 OE2 GLU A 10 -1.403 2.481 -12.459 1.00 1.46 O ATOM 0 H GLU A 10 0.267 -2.565 -10.212 1.00 0.58 H new ATOM 0 HA GLU A 10 -1.111 -1.986 -11.835 1.00 0.73 H new ATOM 0 HB2 GLU A 10 1.143 -0.317 -12.977 1.00 0.87 H new ATOM 0 HB3 GLU A 10 -0.518 -0.296 -13.534 1.00 0.87 H new ATOM 0 HG2 GLU A 10 -1.186 0.348 -11.155 1.00 0.98 H new ATOM 0 HG3 GLU A 10 0.520 0.561 -10.818 1.00 0.98 H new ATOM 138 N LYS A 11 0.208 -4.150 -12.895 1.00 0.58 N ATOM 139 CA LYS A 11 0.307 -5.282 -13.826 1.00 0.55 C ATOM 140 C LYS A 11 1.641 -5.319 -14.567 1.00 0.49 C ATOM 141 O LYS A 11 1.818 -6.101 -15.502 1.00 0.56 O ATOM 142 CB LYS A 11 -0.855 -5.281 -14.832 1.00 0.65 C ATOM 143 CG LYS A 11 -2.228 -5.315 -14.178 1.00 0.74 C ATOM 144 CD LYS A 11 -2.794 -3.932 -13.984 1.00 1.29 C ATOM 145 CE LYS A 11 -3.943 -3.931 -13.002 1.00 1.32 C ATOM 146 NZ LYS A 11 -5.055 -4.819 -13.433 1.00 1.91 N ATOM 0 H LYS A 11 0.160 -4.433 -11.916 1.00 0.58 H new ATOM 0 HA LYS A 11 0.246 -6.183 -13.215 1.00 0.55 H new ATOM 0 HB2 LYS A 11 -0.782 -4.391 -15.458 1.00 0.65 H new ATOM 0 HB3 LYS A 11 -0.754 -6.143 -15.491 1.00 0.65 H new ATOM 0 HG2 LYS A 11 -2.909 -5.902 -14.794 1.00 0.74 H new ATOM 0 HG3 LYS A 11 -2.158 -5.817 -13.213 1.00 0.74 H new ATOM 0 HD2 LYS A 11 -2.010 -3.265 -13.627 1.00 1.29 H new ATOM 0 HD3 LYS A 11 -3.134 -3.540 -14.943 1.00 1.29 H new ATOM 0 HE2 LYS A 11 -3.583 -4.252 -12.025 1.00 1.32 H new ATOM 0 HE3 LYS A 11 -4.318 -2.914 -12.886 1.00 1.32 H new ATOM 0 HZ1 LYS A 11 -5.872 -4.683 -12.803 1.00 1.91 H new ATOM 0 HZ2 LYS A 11 -5.328 -4.585 -14.409 1.00 1.91 H new ATOM 0 HZ3 LYS A 11 -4.745 -5.811 -13.389 1.00 1.91 H new ATOM 160 N VAL A 12 2.575 -4.476 -14.159 1.00 0.44 N ATOM 161 CA VAL A 12 3.920 -4.507 -14.711 1.00 0.42 C ATOM 162 C VAL A 12 4.931 -4.866 -13.629 1.00 0.35 C ATOM 163 O VAL A 12 4.871 -4.350 -12.511 1.00 0.30 O ATOM 164 CB VAL A 12 4.309 -3.166 -15.385 1.00 0.47 C ATOM 165 CG1 VAL A 12 3.728 -1.980 -14.636 1.00 0.47 C ATOM 166 CG2 VAL A 12 5.822 -3.036 -15.472 1.00 0.46 C ATOM 0 H VAL A 12 2.427 -3.761 -13.447 1.00 0.44 H new ATOM 0 HA VAL A 12 3.932 -5.275 -15.484 1.00 0.42 H new ATOM 0 HB VAL A 12 3.891 -3.168 -16.392 1.00 0.47 H new ATOM 0 HG11 VAL A 12 4.020 -1.056 -15.135 1.00 0.47 H new ATOM 0 HG12 VAL A 12 2.641 -2.056 -14.621 1.00 0.47 H new ATOM 0 HG13 VAL A 12 4.106 -1.975 -13.614 1.00 0.47 H new ATOM 0 HG21 VAL A 12 6.079 -2.089 -15.948 1.00 0.46 H new ATOM 0 HG22 VAL A 12 6.248 -3.066 -14.469 1.00 0.46 H new ATOM 0 HG23 VAL A 12 6.225 -3.859 -16.062 1.00 0.46 H new ATOM 176 N SER A 13 5.848 -5.762 -13.966 1.00 0.35 N ATOM 177 CA SER A 13 6.871 -6.189 -13.033 1.00 0.30 C ATOM 178 C SER A 13 7.970 -5.140 -12.941 1.00 0.28 C ATOM 179 O SER A 13 8.551 -4.730 -13.950 1.00 0.40 O ATOM 180 CB SER A 13 7.448 -7.544 -13.459 1.00 0.34 C ATOM 181 OG SER A 13 8.348 -8.053 -12.489 1.00 1.02 O ATOM 0 H SER A 13 5.901 -6.206 -14.883 1.00 0.35 H new ATOM 0 HA SER A 13 6.422 -6.304 -12.047 1.00 0.30 H new ATOM 0 HB2 SER A 13 6.636 -8.255 -13.612 1.00 0.34 H new ATOM 0 HB3 SER A 13 7.962 -7.438 -14.414 1.00 0.34 H new ATOM 0 HG SER A 13 8.697 -8.918 -12.789 1.00 1.02 H new ATOM 187 N GLY A 14 8.235 -4.695 -11.727 1.00 0.16 N ATOM 188 CA GLY A 14 9.231 -3.682 -11.510 1.00 0.14 C ATOM 189 C GLY A 14 9.945 -3.854 -10.197 1.00 0.12 C ATOM 190 O GLY A 14 9.996 -4.954 -9.658 1.00 0.14 O ATOM 0 H GLY A 14 7.770 -5.024 -10.881 1.00 0.16 H new ATOM 0 HA2 GLY A 14 9.957 -3.710 -12.322 1.00 0.14 H new ATOM 0 HA3 GLY A 14 8.759 -2.700 -11.538 1.00 0.14 H new ATOM 194 N ILE A 15 10.507 -2.776 -9.684 1.00 0.11 N ATOM 195 CA ILE A 15 11.263 -2.829 -8.451 1.00 0.12 C ATOM 196 C ILE A 15 10.749 -1.800 -7.467 1.00 0.10 C ATOM 197 O ILE A 15 10.181 -0.796 -7.855 1.00 0.08 O ATOM 198 CB ILE A 15 12.763 -2.587 -8.684 1.00 0.15 C ATOM 199 CG1 ILE A 15 13.255 -3.344 -9.915 1.00 0.17 C ATOM 200 CG2 ILE A 15 13.576 -2.991 -7.464 1.00 0.17 C ATOM 201 CD1 ILE A 15 13.322 -4.843 -9.780 1.00 0.19 C ATOM 0 H ILE A 15 10.453 -1.849 -10.106 1.00 0.11 H new ATOM 0 HA ILE A 15 11.132 -3.832 -8.045 1.00 0.12 H new ATOM 0 HB ILE A 15 12.901 -1.519 -8.855 1.00 0.15 H new ATOM 0 HG12 ILE A 15 12.600 -3.103 -10.752 1.00 0.17 H new ATOM 0 HG13 ILE A 15 14.249 -2.976 -10.171 1.00 0.17 H new ATOM 0 HG21 ILE A 15 14.634 -2.810 -7.655 1.00 0.17 H new ATOM 0 HG22 ILE A 15 13.257 -2.403 -6.603 1.00 0.17 H new ATOM 0 HG23 ILE A 15 13.421 -4.050 -7.258 1.00 0.17 H new ATOM 0 HD11 ILE A 15 13.684 -5.276 -10.712 1.00 0.19 H new ATOM 0 HD12 ILE A 15 14.002 -5.105 -8.970 1.00 0.19 H new ATOM 0 HD13 ILE A 15 12.328 -5.233 -9.560 1.00 0.19 H new ATOM 213 N ILE A 16 10.943 -2.069 -6.201 1.00 0.13 N ATOM 214 CA ILE A 16 10.498 -1.189 -5.141 1.00 0.11 C ATOM 215 C ILE A 16 11.657 -0.866 -4.217 1.00 0.12 C ATOM 216 O ILE A 16 12.434 -1.745 -3.852 1.00 0.15 O ATOM 217 CB ILE A 16 9.339 -1.833 -4.350 1.00 0.12 C ATOM 218 CG1 ILE A 16 8.061 -1.052 -4.592 1.00 0.12 C ATOM 219 CG2 ILE A 16 9.630 -1.906 -2.853 1.00 0.13 C ATOM 220 CD1 ILE A 16 6.843 -1.718 -4.008 1.00 0.16 C ATOM 0 H ILE A 16 11.417 -2.910 -5.870 1.00 0.13 H new ATOM 0 HA ILE A 16 10.132 -0.263 -5.585 1.00 0.11 H new ATOM 0 HB ILE A 16 9.224 -2.856 -4.707 1.00 0.12 H new ATOM 0 HG12 ILE A 16 8.164 -0.056 -4.162 1.00 0.12 H new ATOM 0 HG13 ILE A 16 7.918 -0.923 -5.665 1.00 0.12 H new ATOM 0 HG21 ILE A 16 8.786 -2.366 -2.340 1.00 0.13 H new ATOM 0 HG22 ILE A 16 10.526 -2.504 -2.685 1.00 0.13 H new ATOM 0 HG23 ILE A 16 9.787 -0.900 -2.463 1.00 0.13 H new ATOM 0 HD11 ILE A 16 5.962 -1.111 -4.215 1.00 0.16 H new ATOM 0 HD12 ILE A 16 6.717 -2.704 -4.456 1.00 0.16 H new ATOM 0 HD13 ILE A 16 6.967 -1.822 -2.930 1.00 0.16 H new ATOM 232 N ALA A 17 11.810 0.400 -3.893 1.00 0.10 N ATOM 233 CA ALA A 17 12.816 0.807 -2.937 1.00 0.10 C ATOM 234 C ALA A 17 12.279 1.852 -1.968 1.00 0.08 C ATOM 235 O ALA A 17 11.977 2.972 -2.359 1.00 0.08 O ATOM 236 CB ALA A 17 14.048 1.316 -3.661 1.00 0.12 C ATOM 0 H ALA A 17 11.252 1.163 -4.276 1.00 0.10 H new ATOM 0 HA ALA A 17 13.094 -0.065 -2.345 1.00 0.10 H new ATOM 0 HB1 ALA A 17 14.799 1.620 -2.932 1.00 0.12 H new ATOM 0 HB2 ALA A 17 14.453 0.524 -4.291 1.00 0.12 H new ATOM 0 HB3 ALA A 17 13.778 2.171 -4.281 1.00 0.12 H new ATOM 242 N ILE A 18 12.165 1.474 -0.707 1.00 0.08 N ATOM 243 CA ILE A 18 11.843 2.418 0.346 1.00 0.08 C ATOM 244 C ILE A 18 13.130 3.077 0.793 1.00 0.09 C ATOM 245 O ILE A 18 14.070 2.398 1.208 1.00 0.18 O ATOM 246 CB ILE A 18 11.225 1.777 1.598 1.00 0.10 C ATOM 247 CG1 ILE A 18 10.061 0.856 1.237 1.00 0.12 C ATOM 248 CG2 ILE A 18 10.775 2.873 2.567 1.00 0.13 C ATOM 249 CD1 ILE A 18 10.476 -0.573 0.997 1.00 0.12 C ATOM 0 H ILE A 18 12.292 0.514 -0.387 1.00 0.08 H new ATOM 0 HA ILE A 18 11.111 3.109 -0.073 1.00 0.08 H new ATOM 0 HB ILE A 18 11.983 1.162 2.083 1.00 0.10 H new ATOM 0 HG12 ILE A 18 9.325 0.882 2.041 1.00 0.12 H new ATOM 0 HG13 ILE A 18 9.570 1.238 0.342 1.00 0.12 H new ATOM 0 HG21 ILE A 18 10.337 2.417 3.455 1.00 0.13 H new ATOM 0 HG22 ILE A 18 11.634 3.478 2.857 1.00 0.13 H new ATOM 0 HG23 ILE A 18 10.033 3.506 2.081 1.00 0.13 H new ATOM 0 HD11 ILE A 18 9.599 -1.169 0.746 1.00 0.12 H new ATOM 0 HD12 ILE A 18 11.189 -0.611 0.174 1.00 0.12 H new ATOM 0 HD13 ILE A 18 10.941 -0.973 1.898 1.00 0.12 H new ATOM 261 N ASN A 19 13.186 4.376 0.698 1.00 0.13 N ATOM 262 CA ASN A 19 14.372 5.106 1.070 1.00 0.18 C ATOM 263 C ASN A 19 14.026 6.174 2.061 1.00 0.20 C ATOM 264 O ASN A 19 13.131 6.978 1.813 1.00 0.21 O ATOM 265 CB ASN A 19 15.015 5.718 -0.180 1.00 0.22 C ATOM 266 CG ASN A 19 15.918 6.899 0.127 1.00 0.43 C ATOM 267 OD1 ASN A 19 15.373 8.104 0.010 1.00 1.12 O flip ATOM 268 ND2 ASN A 19 17.094 6.731 0.446 1.00 0.29 N flip ATOM 0 H ASN A 19 12.418 4.958 0.363 1.00 0.13 H new ATOM 0 HA ASN A 19 15.086 4.424 1.533 1.00 0.18 H new ATOM 0 HB2 ASN A 19 15.594 4.951 -0.695 1.00 0.22 H new ATOM 0 HB3 ASN A 19 14.230 6.038 -0.865 1.00 0.22 H new ATOM 0 HD21 ASN A 19 17.471 5.787 0.524 1.00 0.29 H new ATOM 0 HD22 ASN A 19 17.692 7.536 0.633 1.00 0.29 H new ATOM 275 N GLU A 20 14.696 6.192 3.202 1.00 0.24 N ATOM 276 CA GLU A 20 14.632 7.391 3.969 1.00 0.28 C ATOM 277 C GLU A 20 16.008 8.043 3.921 1.00 0.34 C ATOM 278 O GLU A 20 16.835 7.866 4.811 1.00 0.40 O ATOM 279 CB GLU A 20 14.298 7.058 5.422 1.00 0.33 C ATOM 280 CG GLU A 20 13.157 6.080 5.586 1.00 0.33 C ATOM 281 CD GLU A 20 13.001 5.622 7.017 1.00 0.55 C ATOM 282 OE1 GLU A 20 12.529 6.418 7.851 1.00 0.70 O ATOM 283 OE2 GLU A 20 13.374 4.470 7.321 1.00 0.74 O ATOM 0 H GLU A 20 15.255 5.431 3.588 1.00 0.24 H new ATOM 0 HA GLU A 20 13.866 8.054 3.568 1.00 0.28 H new ATOM 0 HB2 GLU A 20 15.186 6.647 5.902 1.00 0.33 H new ATOM 0 HB3 GLU A 20 14.050 7.980 5.947 1.00 0.33 H new ATOM 0 HG2 GLU A 20 12.230 6.546 5.252 1.00 0.33 H new ATOM 0 HG3 GLU A 20 13.327 5.215 4.946 1.00 0.33 H new ATOM 290 N ASP A 21 16.233 8.789 2.862 1.00 0.35 N ATOM 291 CA ASP A 21 17.218 9.855 2.788 1.00 0.41 C ATOM 292 C ASP A 21 16.448 11.111 2.455 1.00 0.41 C ATOM 293 O ASP A 21 16.940 12.238 2.499 1.00 0.46 O ATOM 294 CB ASP A 21 18.271 9.527 1.721 1.00 0.44 C ATOM 295 CG ASP A 21 19.231 10.667 1.445 1.00 0.51 C ATOM 296 OD1 ASP A 21 20.230 10.802 2.185 1.00 0.59 O ATOM 297 OD2 ASP A 21 18.975 11.448 0.507 1.00 0.53 O ATOM 0 H ASP A 21 15.716 8.668 1.991 1.00 0.35 H new ATOM 0 HA ASP A 21 17.761 9.980 3.725 1.00 0.41 H new ATOM 0 HB2 ASP A 21 18.840 8.654 2.040 1.00 0.44 H new ATOM 0 HB3 ASP A 21 17.765 9.257 0.794 1.00 0.44 H new ATOM 302 N VAL A 22 15.190 10.848 2.153 1.00 0.35 N ATOM 303 CA VAL A 22 14.341 11.725 1.375 1.00 0.33 C ATOM 304 C VAL A 22 13.361 12.507 2.258 1.00 0.31 C ATOM 305 O VAL A 22 13.292 12.292 3.472 1.00 0.30 O ATOM 306 CB VAL A 22 13.557 10.809 0.389 1.00 0.30 C ATOM 307 CG1 VAL A 22 12.657 9.861 1.159 1.00 0.25 C ATOM 308 CG2 VAL A 22 12.742 11.566 -0.638 1.00 0.32 C ATOM 0 H VAL A 22 14.719 9.994 2.452 1.00 0.35 H new ATOM 0 HA VAL A 22 14.945 12.468 0.854 1.00 0.33 H new ATOM 0 HB VAL A 22 14.312 10.252 -0.166 1.00 0.30 H new ATOM 0 HG11 VAL A 22 12.114 9.226 0.459 1.00 0.25 H new ATOM 0 HG12 VAL A 22 13.263 9.239 1.819 1.00 0.25 H new ATOM 0 HG13 VAL A 22 11.947 10.436 1.753 1.00 0.25 H new ATOM 0 HG21 VAL A 22 12.226 10.858 -1.287 1.00 0.32 H new ATOM 0 HG22 VAL A 22 12.009 12.194 -0.130 1.00 0.32 H new ATOM 0 HG23 VAL A 22 13.403 12.192 -1.237 1.00 0.32 H new ATOM 318 N SER A 23 12.639 13.427 1.626 1.00 0.32 N ATOM 319 CA SER A 23 11.453 14.053 2.197 1.00 0.28 C ATOM 320 C SER A 23 10.509 12.924 2.604 1.00 0.18 C ATOM 321 O SER A 23 10.741 11.812 2.151 1.00 0.16 O ATOM 322 CB SER A 23 10.826 14.973 1.156 1.00 0.35 C ATOM 323 OG SER A 23 11.822 15.748 0.507 1.00 1.31 O ATOM 0 H SER A 23 12.865 13.763 0.690 1.00 0.32 H new ATOM 0 HA SER A 23 11.686 14.663 3.070 1.00 0.28 H new ATOM 0 HB2 SER A 23 10.282 14.381 0.420 1.00 0.35 H new ATOM 0 HB3 SER A 23 10.101 15.631 1.635 1.00 0.35 H new ATOM 0 HG SER A 23 11.401 16.331 -0.159 1.00 1.31 H new ATOM 329 N PRO A 24 9.419 13.143 3.380 1.00 0.16 N ATOM 330 CA PRO A 24 8.857 12.086 4.246 1.00 0.16 C ATOM 331 C PRO A 24 8.859 10.740 3.543 1.00 0.15 C ATOM 332 O PRO A 24 8.330 10.612 2.437 1.00 0.22 O ATOM 333 CB PRO A 24 7.411 12.558 4.463 1.00 0.21 C ATOM 334 CG PRO A 24 7.214 13.661 3.480 1.00 0.19 C ATOM 335 CD PRO A 24 8.554 14.323 3.387 1.00 0.17 C ATOM 0 HA PRO A 24 9.424 11.948 5.166 1.00 0.16 H new ATOM 0 HB2 PRO A 24 6.702 11.748 4.294 1.00 0.21 H new ATOM 0 HB3 PRO A 24 7.259 12.907 5.484 1.00 0.21 H new ATOM 0 HG2 PRO A 24 6.893 13.277 2.512 1.00 0.19 H new ATOM 0 HG3 PRO A 24 6.448 14.360 3.816 1.00 0.19 H new ATOM 0 HD2 PRO A 24 8.661 14.923 2.484 1.00 0.17 H new ATOM 0 HD3 PRO A 24 8.753 14.981 4.233 1.00 0.17 H new ATOM 343 N ALA A 25 9.437 9.752 4.248 1.00 0.15 N ATOM 344 CA ALA A 25 10.000 8.541 3.638 1.00 0.14 C ATOM 345 C ALA A 25 9.251 8.076 2.419 1.00 0.14 C ATOM 346 O ALA A 25 8.023 7.995 2.406 1.00 0.18 O ATOM 347 CB ALA A 25 10.106 7.412 4.631 1.00 0.20 C ATOM 0 H ALA A 25 9.526 9.774 5.264 1.00 0.15 H new ATOM 0 HA ALA A 25 11.000 8.829 3.313 1.00 0.14 H new ATOM 0 HB1 ALA A 25 10.527 6.534 4.140 1.00 0.20 H new ATOM 0 HB2 ALA A 25 10.753 7.712 5.455 1.00 0.20 H new ATOM 0 HB3 ALA A 25 9.115 7.172 5.016 1.00 0.20 H new ATOM 353 N GLU A 26 10.016 7.716 1.419 1.00 0.14 N ATOM 354 CA GLU A 26 9.472 7.466 0.119 1.00 0.15 C ATOM 355 C GLU A 26 9.844 6.080 -0.374 1.00 0.11 C ATOM 356 O GLU A 26 10.957 5.601 -0.171 1.00 0.13 O ATOM 357 CB GLU A 26 9.905 8.540 -0.899 1.00 0.27 C ATOM 358 CG GLU A 26 9.207 9.872 -0.700 1.00 0.66 C ATOM 359 CD GLU A 26 9.434 10.836 -1.847 1.00 0.71 C ATOM 360 OE1 GLU A 26 10.463 10.706 -2.539 1.00 1.26 O ATOM 361 OE2 GLU A 26 8.592 11.729 -2.070 1.00 1.14 O ATOM 0 H GLU A 26 11.026 7.590 1.488 1.00 0.14 H new ATOM 0 HA GLU A 26 8.387 7.517 0.211 1.00 0.15 H new ATOM 0 HB2 GLU A 26 10.982 8.688 -0.825 1.00 0.27 H new ATOM 0 HB3 GLU A 26 9.702 8.178 -1.907 1.00 0.27 H new ATOM 0 HG2 GLU A 26 8.137 9.701 -0.582 1.00 0.66 H new ATOM 0 HG3 GLU A 26 9.561 10.327 0.225 1.00 0.66 H new ATOM 368 N LEU A 27 8.885 5.451 -1.011 1.00 0.10 N ATOM 369 CA LEU A 27 9.083 4.197 -1.701 1.00 0.09 C ATOM 370 C LEU A 27 9.187 4.528 -3.161 1.00 0.09 C ATOM 371 O LEU A 27 8.484 5.398 -3.642 1.00 0.13 O ATOM 372 CB LEU A 27 7.882 3.272 -1.449 1.00 0.11 C ATOM 373 CG LEU A 27 7.727 2.048 -2.374 1.00 0.10 C ATOM 374 CD1 LEU A 27 6.763 1.078 -1.748 1.00 0.15 C ATOM 375 CD2 LEU A 27 7.200 2.428 -3.760 1.00 0.11 C ATOM 0 H LEU A 27 7.929 5.802 -1.066 1.00 0.10 H new ATOM 0 HA LEU A 27 9.979 3.684 -1.351 1.00 0.09 H new ATOM 0 HB2 LEU A 27 7.942 2.913 -0.422 1.00 0.11 H new ATOM 0 HB3 LEU A 27 6.974 3.870 -1.525 1.00 0.11 H new ATOM 0 HG LEU A 27 8.715 1.605 -2.498 1.00 0.10 H new ATOM 0 HD11 LEU A 27 6.648 0.209 -2.397 1.00 0.15 H new ATOM 0 HD12 LEU A 27 7.146 0.759 -0.779 1.00 0.15 H new ATOM 0 HD13 LEU A 27 5.795 1.562 -1.615 1.00 0.15 H new ATOM 0 HD21 LEU A 27 7.109 1.531 -4.373 1.00 0.11 H new ATOM 0 HD22 LEU A 27 6.223 2.901 -3.661 1.00 0.11 H new ATOM 0 HD23 LEU A 27 7.893 3.123 -4.235 1.00 0.11 H new ATOM 387 N THR A 28 10.034 3.851 -3.872 1.00 0.08 N ATOM 388 CA THR A 28 10.181 4.138 -5.268 1.00 0.09 C ATOM 389 C THR A 28 10.028 2.875 -6.080 1.00 0.08 C ATOM 390 O THR A 28 10.878 1.986 -6.027 1.00 0.10 O ATOM 391 CB THR A 28 11.532 4.801 -5.567 1.00 0.14 C ATOM 392 OG1 THR A 28 11.772 5.862 -4.630 1.00 0.21 O ATOM 393 CG2 THR A 28 11.533 5.358 -6.974 1.00 0.14 C ATOM 0 H THR A 28 10.629 3.103 -3.516 1.00 0.08 H new ATOM 0 HA THR A 28 9.396 4.840 -5.548 1.00 0.09 H new ATOM 0 HB THR A 28 12.321 4.054 -5.476 1.00 0.14 H new ATOM 0 HG1 THR A 28 12.636 6.281 -4.824 1.00 0.21 H new ATOM 0 HG21 THR A 28 12.495 5.827 -7.179 1.00 0.14 H new ATOM 0 HG22 THR A 28 11.365 4.550 -7.685 1.00 0.14 H new ATOM 0 HG23 THR A 28 10.740 6.099 -7.072 1.00 0.14 H new ATOM 401 N TRP A 29 8.925 2.780 -6.796 1.00 0.08 N ATOM 402 CA TRP A 29 8.719 1.655 -7.679 1.00 0.08 C ATOM 403 C TRP A 29 9.313 1.981 -9.031 1.00 0.08 C ATOM 404 O TRP A 29 8.781 2.785 -9.787 1.00 0.12 O ATOM 405 CB TRP A 29 7.242 1.277 -7.818 1.00 0.11 C ATOM 406 CG TRP A 29 7.038 0.054 -8.669 1.00 0.11 C ATOM 407 CD1 TRP A 29 7.062 -1.252 -8.262 1.00 0.13 C ATOM 408 CD2 TRP A 29 6.796 0.024 -10.079 1.00 0.14 C ATOM 409 NE1 TRP A 29 6.853 -2.085 -9.335 1.00 0.14 N ATOM 410 CE2 TRP A 29 6.687 -1.325 -10.459 1.00 0.14 C ATOM 411 CE3 TRP A 29 6.662 1.007 -11.056 1.00 0.19 C ATOM 412 CZ2 TRP A 29 6.449 -1.713 -11.770 1.00 0.19 C ATOM 413 CZ3 TRP A 29 6.427 0.621 -12.355 1.00 0.24 C ATOM 414 CH2 TRP A 29 6.322 -0.728 -12.703 1.00 0.24 C ATOM 0 H TRP A 29 8.166 3.462 -6.783 1.00 0.08 H new ATOM 0 HA TRP A 29 9.217 0.788 -7.245 1.00 0.08 H new ATOM 0 HB2 TRP A 29 6.821 1.101 -6.828 1.00 0.11 H new ATOM 0 HB3 TRP A 29 6.696 2.114 -8.253 1.00 0.11 H new ATOM 0 HD1 TRP A 29 7.222 -1.580 -7.246 1.00 0.13 H new ATOM 0 HE1 TRP A 29 6.826 -3.104 -9.299 1.00 0.14 H new ATOM 0 HE3 TRP A 29 6.741 2.053 -10.799 1.00 0.19 H new ATOM 0 HZ2 TRP A 29 6.368 -2.755 -12.040 1.00 0.19 H new ATOM 0 HZ3 TRP A 29 6.322 1.375 -13.121 1.00 0.24 H new ATOM 0 HH2 TRP A 29 6.136 -0.996 -13.733 1.00 0.24 H new ATOM 425 N ARG A 30 10.429 1.362 -9.301 1.00 0.10 N ATOM 426 CA ARG A 30 11.148 1.558 -10.530 1.00 0.12 C ATOM 427 C ARG A 30 11.125 0.265 -11.319 1.00 0.13 C ATOM 428 O ARG A 30 11.717 -0.724 -10.902 1.00 0.15 O ATOM 429 CB ARG A 30 12.578 1.990 -10.206 1.00 0.15 C ATOM 430 CG ARG A 30 13.482 2.085 -11.416 1.00 0.21 C ATOM 431 CD ARG A 30 14.368 0.856 -11.538 1.00 0.32 C ATOM 432 NE ARG A 30 15.165 0.875 -12.764 1.00 0.33 N ATOM 433 CZ ARG A 30 15.685 -0.211 -13.337 1.00 0.47 C ATOM 434 NH1 ARG A 30 15.503 -1.408 -12.791 1.00 0.87 N ATOM 435 NH2 ARG A 30 16.399 -0.093 -14.447 1.00 0.51 N ATOM 0 H ARG A 30 10.871 0.698 -8.665 1.00 0.10 H new ATOM 0 HA ARG A 30 10.684 2.339 -11.133 1.00 0.12 H new ATOM 0 HB2 ARG A 30 12.550 2.960 -9.709 1.00 0.15 H new ATOM 0 HB3 ARG A 30 13.009 1.282 -9.498 1.00 0.15 H new ATOM 0 HG2 ARG A 30 12.878 2.192 -12.317 1.00 0.21 H new ATOM 0 HG3 ARG A 30 14.103 2.978 -11.340 1.00 0.21 H new ATOM 0 HD2 ARG A 30 15.032 0.800 -10.675 1.00 0.32 H new ATOM 0 HD3 ARG A 30 13.748 -0.041 -11.522 1.00 0.32 H new ATOM 0 HE ARG A 30 15.334 1.777 -13.209 1.00 0.33 H new ATOM 0 HH11 ARG A 30 14.964 -1.499 -11.930 1.00 0.87 H new ATOM 0 HH12 ARG A 30 15.903 -2.236 -13.233 1.00 0.87 H new ATOM 0 HH21 ARG A 30 16.550 0.827 -14.861 1.00 0.51 H new ATOM 0 HH22 ARG A 30 16.798 -0.922 -14.887 1.00 0.51 H new ATOM 449 N SER A 31 10.425 0.265 -12.444 1.00 0.16 N ATOM 450 CA SER A 31 10.235 -0.945 -13.217 1.00 0.18 C ATOM 451 C SER A 31 11.571 -1.545 -13.619 1.00 0.20 C ATOM 452 O SER A 31 12.548 -0.835 -13.854 1.00 0.24 O ATOM 453 CB SER A 31 9.372 -0.663 -14.448 1.00 0.28 C ATOM 454 OG SER A 31 10.020 0.198 -15.372 1.00 0.75 O ATOM 0 H SER A 31 9.980 1.093 -12.839 1.00 0.16 H new ATOM 0 HA SER A 31 9.715 -1.672 -12.593 1.00 0.18 H new ATOM 0 HB2 SER A 31 9.127 -1.604 -14.941 1.00 0.28 H new ATOM 0 HB3 SER A 31 8.430 -0.213 -14.134 1.00 0.28 H new ATOM 0 HG SER A 31 10.734 0.691 -14.915 1.00 0.75 H new ATOM 460 N THR A 32 11.591 -2.871 -13.669 1.00 0.20 N ATOM 461 CA THR A 32 12.798 -3.641 -13.939 1.00 0.26 C ATOM 462 C THR A 32 13.421 -3.244 -15.282 1.00 0.30 C ATOM 463 O THR A 32 14.620 -3.421 -15.502 1.00 0.38 O ATOM 464 CB THR A 32 12.470 -5.143 -13.952 1.00 0.31 C ATOM 465 OG1 THR A 32 11.646 -5.457 -12.824 1.00 0.31 O ATOM 466 CG2 THR A 32 13.736 -5.987 -13.902 1.00 0.39 C ATOM 0 H THR A 32 10.762 -3.447 -13.522 1.00 0.20 H new ATOM 0 HA THR A 32 13.517 -3.427 -13.148 1.00 0.26 H new ATOM 0 HB THR A 32 11.945 -5.370 -14.880 1.00 0.31 H new ATOM 0 HG1 THR A 32 11.434 -6.414 -12.830 1.00 0.31 H new ATOM 0 HG21 THR A 32 13.469 -7.044 -13.913 1.00 0.39 H new ATOM 0 HG22 THR A 32 14.358 -5.761 -14.768 1.00 0.39 H new ATOM 0 HG23 THR A 32 14.288 -5.761 -12.990 1.00 0.39 H new ATOM 474 N ASP A 33 12.589 -2.713 -16.174 1.00 0.32 N ATOM 475 CA ASP A 33 13.039 -2.281 -17.493 1.00 0.39 C ATOM 476 C ASP A 33 13.530 -0.834 -17.461 1.00 0.37 C ATOM 477 O ASP A 33 14.385 -0.441 -18.254 1.00 0.44 O ATOM 478 CB ASP A 33 11.908 -2.433 -18.509 1.00 0.52 C ATOM 479 CG ASP A 33 12.336 -2.088 -19.921 1.00 1.60 C ATOM 480 OD1 ASP A 33 13.111 -2.863 -20.518 1.00 2.07 O ATOM 481 OD2 ASP A 33 11.879 -1.053 -20.450 1.00 2.33 O ATOM 0 H ASP A 33 11.593 -2.571 -16.005 1.00 0.32 H new ATOM 0 HA ASP A 33 13.875 -2.914 -17.792 1.00 0.39 H new ATOM 0 HB2 ASP A 33 11.541 -3.459 -18.486 1.00 0.52 H new ATOM 0 HB3 ASP A 33 11.077 -1.790 -18.219 1.00 0.52 H new ATOM 486 N GLY A 34 12.993 -0.050 -16.530 1.00 0.36 N ATOM 487 CA GLY A 34 13.446 1.319 -16.362 1.00 0.37 C ATOM 488 C GLY A 34 12.619 2.327 -17.135 1.00 0.42 C ATOM 489 O GLY A 34 13.091 3.428 -17.422 1.00 0.55 O ATOM 0 H GLY A 34 12.253 -0.338 -15.890 1.00 0.36 H new ATOM 0 HA2 GLY A 34 13.420 1.575 -15.303 1.00 0.37 H new ATOM 0 HA3 GLY A 34 14.485 1.392 -16.682 1.00 0.37 H new ATOM 493 N ASP A 35 11.388 1.969 -17.478 1.00 0.45 N ATOM 494 CA ASP A 35 10.540 2.846 -18.283 1.00 0.55 C ATOM 495 C ASP A 35 9.389 3.402 -17.450 1.00 0.46 C ATOM 496 O ASP A 35 8.666 4.302 -17.881 1.00 0.74 O ATOM 497 CB ASP A 35 9.997 2.084 -19.488 1.00 0.73 C ATOM 498 CG ASP A 35 9.247 2.968 -20.468 1.00 0.89 C ATOM 499 OD1 ASP A 35 9.903 3.697 -21.242 1.00 1.13 O ATOM 500 OD2 ASP A 35 7.999 2.932 -20.481 1.00 0.92 O ATOM 0 H ASP A 35 10.955 1.084 -17.215 1.00 0.45 H new ATOM 0 HA ASP A 35 11.144 3.683 -18.633 1.00 0.55 H new ATOM 0 HB2 ASP A 35 10.825 1.600 -20.006 1.00 0.73 H new ATOM 0 HB3 ASP A 35 9.332 1.293 -19.140 1.00 0.73 H new ATOM 505 N LYS A 36 9.239 2.874 -16.245 1.00 0.34 N ATOM 506 CA LYS A 36 8.116 3.231 -15.393 1.00 0.34 C ATOM 507 C LYS A 36 8.584 3.370 -13.943 1.00 0.27 C ATOM 508 O LYS A 36 9.091 2.413 -13.361 1.00 0.34 O ATOM 509 CB LYS A 36 7.046 2.142 -15.509 1.00 0.55 C ATOM 510 CG LYS A 36 5.660 2.569 -15.089 1.00 0.92 C ATOM 511 CD LYS A 36 4.696 1.408 -15.234 1.00 0.90 C ATOM 512 CE LYS A 36 3.264 1.789 -14.883 1.00 1.25 C ATOM 513 NZ LYS A 36 3.140 2.305 -13.492 1.00 2.03 N ATOM 0 H LYS A 36 9.882 2.196 -15.835 1.00 0.34 H new ATOM 0 HA LYS A 36 7.697 4.187 -15.709 1.00 0.34 H new ATOM 0 HB2 LYS A 36 7.008 1.799 -16.543 1.00 0.55 H new ATOM 0 HB3 LYS A 36 7.348 1.289 -14.901 1.00 0.55 H new ATOM 0 HG2 LYS A 36 5.674 2.914 -14.055 1.00 0.92 H new ATOM 0 HG3 LYS A 36 5.327 3.408 -15.701 1.00 0.92 H new ATOM 0 HD2 LYS A 36 4.729 1.039 -16.259 1.00 0.90 H new ATOM 0 HD3 LYS A 36 5.019 0.590 -14.590 1.00 0.90 H new ATOM 0 HE2 LYS A 36 2.911 2.547 -15.582 1.00 1.25 H new ATOM 0 HE3 LYS A 36 2.619 0.919 -15.004 1.00 1.25 H new ATOM 0 HZ1 LYS A 36 2.179 2.123 -13.139 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 3.830 1.824 -12.881 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 3.324 3.329 -13.484 1.00 2.03 H new ATOM 527 N VAL A 37 8.431 4.557 -13.368 1.00 0.22 N ATOM 528 CA VAL A 37 8.875 4.814 -11.997 1.00 0.21 C ATOM 529 C VAL A 37 7.806 5.580 -11.217 1.00 0.22 C ATOM 530 O VAL A 37 7.366 6.654 -11.636 1.00 0.32 O ATOM 531 CB VAL A 37 10.196 5.622 -11.961 1.00 0.22 C ATOM 532 CG1 VAL A 37 10.643 5.867 -10.526 1.00 0.54 C ATOM 533 CG2 VAL A 37 11.290 4.909 -12.744 1.00 0.55 C ATOM 0 H VAL A 37 8.002 5.360 -13.828 1.00 0.22 H new ATOM 0 HA VAL A 37 9.047 3.842 -11.534 1.00 0.21 H new ATOM 0 HB VAL A 37 10.011 6.587 -12.432 1.00 0.22 H new ATOM 0 HG11 VAL A 37 11.573 6.436 -10.527 1.00 0.54 H new ATOM 0 HG12 VAL A 37 9.874 6.429 -9.996 1.00 0.54 H new ATOM 0 HG13 VAL A 37 10.803 4.911 -10.027 1.00 0.54 H new ATOM 0 HG21 VAL A 37 12.208 5.496 -12.704 1.00 0.55 H new ATOM 0 HG22 VAL A 37 11.468 3.926 -12.307 1.00 0.55 H new ATOM 0 HG23 VAL A 37 10.978 4.794 -13.782 1.00 0.55 H new ATOM 543 N HIS A 38 7.387 5.021 -10.091 1.00 0.17 N ATOM 544 CA HIS A 38 6.384 5.651 -9.247 1.00 0.19 C ATOM 545 C HIS A 38 6.852 5.695 -7.804 1.00 0.17 C ATOM 546 O HIS A 38 7.119 4.659 -7.201 1.00 0.17 O ATOM 547 CB HIS A 38 5.074 4.882 -9.315 1.00 0.25 C ATOM 548 CG HIS A 38 3.896 5.662 -8.806 1.00 0.41 C ATOM 549 ND1 HIS A 38 2.993 6.281 -9.637 1.00 0.52 N ATOM 550 CD2 HIS A 38 3.487 5.937 -7.544 1.00 0.56 C ATOM 551 CE1 HIS A 38 2.084 6.902 -8.913 1.00 0.67 C ATOM 552 NE2 HIS A 38 2.357 6.712 -7.634 1.00 0.69 N ATOM 0 H HIS A 38 7.729 4.127 -9.740 1.00 0.17 H new ATOM 0 HA HIS A 38 6.232 6.667 -9.611 1.00 0.19 H new ATOM 0 HB2 HIS A 38 4.887 4.589 -10.348 1.00 0.25 H new ATOM 0 HB3 HIS A 38 5.170 3.964 -8.735 1.00 0.25 H new ATOM 0 HD2 HIS A 38 3.963 5.607 -6.633 1.00 0.56 H new ATOM 0 HE1 HIS A 38 1.253 7.472 -9.301 1.00 0.67 H new ATOM 0 HE2 HIS A 38 1.820 7.078 -6.848 1.00 0.69 H new ATOM 561 N THR A 39 6.922 6.880 -7.237 1.00 0.18 N ATOM 562 CA THR A 39 7.374 7.032 -5.869 1.00 0.17 C ATOM 563 C THR A 39 6.183 7.258 -4.918 1.00 0.19 C ATOM 564 O THR A 39 5.278 8.037 -5.219 1.00 0.30 O ATOM 565 CB THR A 39 8.353 8.213 -5.748 1.00 0.22 C ATOM 566 OG1 THR A 39 9.386 8.091 -6.737 1.00 0.23 O ATOM 567 CG2 THR A 39 8.973 8.253 -4.362 1.00 0.23 C ATOM 0 H THR A 39 6.672 7.753 -7.701 1.00 0.18 H new ATOM 0 HA THR A 39 7.885 6.111 -5.586 1.00 0.17 H new ATOM 0 HB THR A 39 7.802 9.139 -5.910 1.00 0.22 H new ATOM 0 HG1 THR A 39 10.006 8.846 -6.657 1.00 0.23 H new ATOM 0 HG21 THR A 39 9.662 9.095 -4.296 1.00 0.23 H new ATOM 0 HG22 THR A 39 8.187 8.368 -3.615 1.00 0.23 H new ATOM 0 HG23 THR A 39 9.515 7.325 -4.179 1.00 0.23 H new ATOM 575 N VAL A 40 6.182 6.563 -3.785 1.00 0.13 N ATOM 576 CA VAL A 40 5.134 6.707 -2.780 1.00 0.18 C ATOM 577 C VAL A 40 5.635 7.470 -1.552 1.00 0.11 C ATOM 578 O VAL A 40 6.661 7.112 -0.980 1.00 0.11 O ATOM 579 CB VAL A 40 4.630 5.323 -2.323 1.00 0.30 C ATOM 580 CG1 VAL A 40 3.782 5.444 -1.076 1.00 0.47 C ATOM 581 CG2 VAL A 40 3.843 4.640 -3.421 1.00 0.66 C ATOM 0 H VAL A 40 6.904 5.887 -3.538 1.00 0.13 H new ATOM 0 HA VAL A 40 4.323 7.269 -3.243 1.00 0.18 H new ATOM 0 HB VAL A 40 5.504 4.713 -2.094 1.00 0.30 H new ATOM 0 HG11 VAL A 40 3.438 4.455 -0.773 1.00 0.47 H new ATOM 0 HG12 VAL A 40 4.375 5.884 -0.274 1.00 0.47 H new ATOM 0 HG13 VAL A 40 2.921 6.080 -1.282 1.00 0.47 H new ATOM 0 HG21 VAL A 40 3.500 3.666 -3.071 1.00 0.66 H new ATOM 0 HG22 VAL A 40 2.982 5.254 -3.688 1.00 0.66 H new ATOM 0 HG23 VAL A 40 4.479 4.508 -4.296 1.00 0.66 H new ATOM 591 N VAL A 41 4.909 8.511 -1.148 1.00 0.10 N ATOM 592 CA VAL A 41 5.219 9.217 0.086 1.00 0.10 C ATOM 593 C VAL A 41 4.461 8.582 1.241 1.00 0.08 C ATOM 594 O VAL A 41 3.244 8.711 1.358 1.00 0.09 O ATOM 595 CB VAL A 41 4.874 10.721 0.013 1.00 0.13 C ATOM 596 CG1 VAL A 41 5.321 11.437 1.285 1.00 0.14 C ATOM 597 CG2 VAL A 41 5.508 11.354 -1.213 1.00 0.18 C ATOM 0 H VAL A 41 4.106 8.880 -1.657 1.00 0.10 H new ATOM 0 HA VAL A 41 6.295 9.136 0.242 1.00 0.10 H new ATOM 0 HB VAL A 41 3.792 10.823 -0.072 1.00 0.13 H new ATOM 0 HG11 VAL A 41 5.069 12.495 1.214 1.00 0.14 H new ATOM 0 HG12 VAL A 41 4.814 11.000 2.146 1.00 0.14 H new ATOM 0 HG13 VAL A 41 6.399 11.328 1.404 1.00 0.14 H new ATOM 0 HG21 VAL A 41 5.254 12.413 -1.248 1.00 0.18 H new ATOM 0 HG22 VAL A 41 6.591 11.242 -1.162 1.00 0.18 H new ATOM 0 HG23 VAL A 41 5.135 10.862 -2.111 1.00 0.18 H new ATOM 607 N LEU A 42 5.199 7.896 2.077 1.00 0.08 N ATOM 608 CA LEU A 42 4.666 7.216 3.254 1.00 0.09 C ATOM 609 C LEU A 42 3.858 8.157 4.147 1.00 0.10 C ATOM 610 O LEU A 42 2.926 7.729 4.819 1.00 0.12 O ATOM 611 CB LEU A 42 5.807 6.601 4.062 1.00 0.10 C ATOM 612 CG LEU A 42 6.392 5.285 3.527 1.00 0.10 C ATOM 613 CD1 LEU A 42 5.499 4.131 3.922 1.00 0.12 C ATOM 614 CD2 LEU A 42 6.575 5.301 2.014 1.00 0.10 C ATOM 0 H LEU A 42 6.207 7.786 1.966 1.00 0.08 H new ATOM 0 HA LEU A 42 3.994 6.434 2.900 1.00 0.09 H new ATOM 0 HB2 LEU A 42 6.613 7.332 4.126 1.00 0.10 H new ATOM 0 HB3 LEU A 42 5.452 6.429 5.078 1.00 0.10 H new ATOM 0 HG LEU A 42 7.380 5.165 3.972 1.00 0.10 H new ATOM 0 HD11 LEU A 42 5.918 3.200 3.540 1.00 0.12 H new ATOM 0 HD12 LEU A 42 5.430 4.080 5.009 1.00 0.12 H new ATOM 0 HD13 LEU A 42 4.504 4.280 3.502 1.00 0.12 H new ATOM 0 HD21 LEU A 42 6.991 4.348 1.688 1.00 0.10 H new ATOM 0 HD22 LEU A 42 5.610 5.460 1.532 1.00 0.10 H new ATOM 0 HD23 LEU A 42 7.255 6.107 1.738 1.00 0.10 H new ATOM 626 N SER A 43 4.211 9.437 4.153 1.00 0.12 N ATOM 627 CA SER A 43 3.486 10.411 4.959 1.00 0.15 C ATOM 628 C SER A 43 2.106 10.684 4.363 1.00 0.14 C ATOM 629 O SER A 43 1.135 10.888 5.094 1.00 0.17 O ATOM 630 CB SER A 43 4.279 11.710 5.076 1.00 0.20 C ATOM 631 OG SER A 43 3.611 12.671 5.881 1.00 1.06 O ATOM 0 H SER A 43 4.987 9.822 3.614 1.00 0.12 H new ATOM 0 HA SER A 43 3.355 9.994 5.958 1.00 0.15 H new ATOM 0 HB2 SER A 43 5.260 11.499 5.502 1.00 0.20 H new ATOM 0 HB3 SER A 43 4.446 12.124 4.081 1.00 0.20 H new ATOM 0 HG SER A 43 3.861 12.542 6.820 1.00 1.06 H new ATOM 637 N THR A 44 2.018 10.677 3.036 1.00 0.13 N ATOM 638 CA THR A 44 0.737 10.847 2.365 1.00 0.14 C ATOM 639 C THR A 44 -0.063 9.552 2.427 1.00 0.13 C ATOM 640 O THR A 44 -1.257 9.535 2.170 1.00 0.18 O ATOM 641 CB THR A 44 0.903 11.296 0.893 1.00 0.16 C ATOM 642 OG1 THR A 44 1.705 10.362 0.158 1.00 0.17 O ATOM 643 CG2 THR A 44 1.542 12.673 0.816 1.00 0.20 C ATOM 0 H THR A 44 2.814 10.556 2.409 1.00 0.13 H new ATOM 0 HA THR A 44 0.198 11.636 2.889 1.00 0.14 H new ATOM 0 HB THR A 44 -0.092 11.337 0.451 1.00 0.16 H new ATOM 0 HG1 THR A 44 2.102 9.714 0.777 1.00 0.17 H new ATOM 0 HG21 THR A 44 1.648 12.967 -0.228 1.00 0.20 H new ATOM 0 HG22 THR A 44 0.912 13.396 1.334 1.00 0.20 H new ATOM 0 HG23 THR A 44 2.525 12.645 1.287 1.00 0.20 H new ATOM 651 N ILE A 45 0.620 8.472 2.769 1.00 0.11 N ATOM 652 CA ILE A 45 -0.008 7.179 2.972 1.00 0.12 C ATOM 653 C ILE A 45 -0.676 7.092 4.349 1.00 0.16 C ATOM 654 O ILE A 45 -0.045 7.335 5.376 1.00 0.23 O ATOM 655 CB ILE A 45 1.037 6.057 2.845 1.00 0.12 C ATOM 656 CG1 ILE A 45 1.648 6.036 1.437 1.00 0.10 C ATOM 657 CG2 ILE A 45 0.421 4.718 3.180 1.00 0.16 C ATOM 658 CD1 ILE A 45 0.662 5.699 0.320 1.00 0.10 C ATOM 0 H ILE A 45 1.630 8.469 2.914 1.00 0.11 H new ATOM 0 HA ILE A 45 -0.774 7.060 2.206 1.00 0.12 H new ATOM 0 HB ILE A 45 1.838 6.255 3.558 1.00 0.12 H new ATOM 0 HG12 ILE A 45 2.089 7.012 1.232 1.00 0.10 H new ATOM 0 HG13 ILE A 45 2.460 5.309 1.418 1.00 0.10 H new ATOM 0 HG21 ILE A 45 1.175 3.937 3.085 1.00 0.16 H new ATOM 0 HG22 ILE A 45 0.045 4.736 4.203 1.00 0.16 H new ATOM 0 HG23 ILE A 45 -0.401 4.514 2.494 1.00 0.16 H new ATOM 0 HD11 ILE A 45 1.181 5.707 -0.638 1.00 0.10 H new ATOM 0 HD12 ILE A 45 0.238 4.710 0.495 1.00 0.10 H new ATOM 0 HD13 ILE A 45 -0.138 6.439 0.305 1.00 0.10 H new ATOM 670 N ASP A 46 -1.965 6.770 4.351 1.00 0.16 N ATOM 671 CA ASP A 46 -2.725 6.566 5.580 1.00 0.22 C ATOM 672 C ASP A 46 -2.451 5.183 6.161 1.00 0.22 C ATOM 673 O ASP A 46 -2.178 5.038 7.352 1.00 0.28 O ATOM 674 CB ASP A 46 -4.223 6.702 5.301 1.00 0.28 C ATOM 675 CG ASP A 46 -5.054 6.732 6.571 1.00 0.46 C ATOM 676 OD1 ASP A 46 -4.906 7.686 7.365 1.00 0.70 O ATOM 677 OD2 ASP A 46 -5.845 5.789 6.796 1.00 0.61 O ATOM 0 H ASP A 46 -2.513 6.643 3.500 1.00 0.16 H new ATOM 0 HA ASP A 46 -2.414 7.324 6.299 1.00 0.22 H new ATOM 0 HB2 ASP A 46 -4.401 7.615 4.733 1.00 0.28 H new ATOM 0 HB3 ASP A 46 -4.549 5.870 4.677 1.00 0.28 H new ATOM 682 N LYS A 47 -2.526 4.172 5.303 1.00 0.21 N ATOM 683 CA LYS A 47 -2.348 2.784 5.722 1.00 0.27 C ATOM 684 C LYS A 47 -1.445 2.045 4.749 1.00 0.18 C ATOM 685 O LYS A 47 -1.420 2.353 3.564 1.00 0.20 O ATOM 686 CB LYS A 47 -3.692 2.043 5.756 1.00 0.41 C ATOM 687 CG LYS A 47 -4.723 2.621 6.706 1.00 1.07 C ATOM 688 CD LYS A 47 -4.362 2.312 8.139 1.00 1.01 C ATOM 689 CE LYS A 47 -5.519 2.586 9.078 1.00 1.60 C ATOM 690 NZ LYS A 47 -5.164 2.290 10.491 1.00 1.95 N ATOM 0 H LYS A 47 -2.710 4.288 4.306 1.00 0.21 H new ATOM 0 HA LYS A 47 -1.905 2.805 6.718 1.00 0.27 H new ATOM 0 HB2 LYS A 47 -4.111 2.037 4.750 1.00 0.41 H new ATOM 0 HB3 LYS A 47 -3.509 1.004 6.031 1.00 0.41 H new ATOM 0 HG2 LYS A 47 -4.788 3.700 6.567 1.00 1.07 H new ATOM 0 HG3 LYS A 47 -5.706 2.210 6.477 1.00 1.07 H new ATOM 0 HD2 LYS A 47 -4.065 1.267 8.222 1.00 1.01 H new ATOM 0 HD3 LYS A 47 -3.502 2.912 8.436 1.00 1.01 H new ATOM 0 HE2 LYS A 47 -5.820 3.630 8.990 1.00 1.60 H new ATOM 0 HE3 LYS A 47 -6.377 1.981 8.784 1.00 1.60 H new ATOM 0 HZ1 LYS A 47 -5.801 1.556 10.863 1.00 1.95 H new ATOM 0 HZ2 LYS A 47 -4.182 1.952 10.539 1.00 1.95 H new ATOM 0 HZ3 LYS A 47 -5.261 3.154 11.062 1.00 1.95 H new ATOM 704 N LEU A 48 -0.706 1.076 5.241 1.00 0.14 N ATOM 705 CA LEU A 48 -0.072 0.114 4.367 1.00 0.10 C ATOM 706 C LEU A 48 -0.702 -1.249 4.589 1.00 0.11 C ATOM 707 O LEU A 48 -1.088 -1.601 5.702 1.00 0.14 O ATOM 708 CB LEU A 48 1.432 0.033 4.590 1.00 0.10 C ATOM 709 CG LEU A 48 2.074 -1.252 4.086 1.00 0.11 C ATOM 710 CD1 LEU A 48 2.114 -1.281 2.576 1.00 0.12 C ATOM 711 CD2 LEU A 48 3.466 -1.395 4.625 1.00 0.13 C ATOM 0 H LEU A 48 -0.530 0.933 6.235 1.00 0.14 H new ATOM 0 HA LEU A 48 -0.226 0.442 3.339 1.00 0.10 H new ATOM 0 HB2 LEU A 48 1.907 0.880 4.095 1.00 0.10 H new ATOM 0 HB3 LEU A 48 1.635 0.132 5.656 1.00 0.10 H new ATOM 0 HG LEU A 48 1.466 -2.085 4.439 1.00 0.11 H new ATOM 0 HD11 LEU A 48 2.577 -2.209 2.242 1.00 0.12 H new ATOM 0 HD12 LEU A 48 1.099 -1.221 2.184 1.00 0.12 H new ATOM 0 HD13 LEU A 48 2.695 -0.434 2.211 1.00 0.12 H new ATOM 0 HD21 LEU A 48 3.907 -2.320 4.253 1.00 0.13 H new ATOM 0 HD22 LEU A 48 4.071 -0.548 4.300 1.00 0.13 H new ATOM 0 HD23 LEU A 48 3.434 -1.421 5.714 1.00 0.13 H new ATOM 723 N GLN A 49 -0.798 -1.995 3.521 1.00 0.10 N ATOM 724 CA GLN A 49 -1.395 -3.315 3.543 1.00 0.11 C ATOM 725 C GLN A 49 -0.400 -4.339 3.039 1.00 0.10 C ATOM 726 O GLN A 49 0.484 -4.022 2.246 1.00 0.12 O ATOM 727 CB GLN A 49 -2.632 -3.359 2.662 1.00 0.15 C ATOM 728 CG GLN A 49 -3.683 -2.319 3.013 1.00 0.27 C ATOM 729 CD GLN A 49 -4.354 -2.585 4.347 1.00 0.86 C ATOM 730 OE1 GLN A 49 -4.523 -3.853 4.689 1.00 1.49 O flip ATOM 731 NE2 GLN A 49 -4.746 -1.656 5.052 1.00 1.03 N flip ATOM 0 H GLN A 49 -0.463 -1.707 2.602 1.00 0.10 H new ATOM 0 HA GLN A 49 -1.677 -3.543 4.571 1.00 0.11 H new ATOM 0 HB2 GLN A 49 -2.330 -3.219 1.624 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -3.080 -4.350 2.733 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -3.218 -1.333 3.036 1.00 0.27 H new ATOM 0 HG3 GLN A 49 -4.440 -2.296 2.229 1.00 0.27 H new ATOM 0 HE21 GLN A 49 -4.597 -0.692 4.754 1.00 1.03 H new ATOM 0 HE22 GLN A 49 -5.220 -1.850 5.934 1.00 1.03 H new ATOM 740 N ALA A 50 -0.568 -5.559 3.492 1.00 0.11 N ATOM 741 CA ALA A 50 0.308 -6.657 3.118 1.00 0.13 C ATOM 742 C ALA A 50 -0.373 -7.984 3.440 1.00 0.18 C ATOM 743 O ALA A 50 -1.106 -8.080 4.428 1.00 0.25 O ATOM 744 CB ALA A 50 1.633 -6.532 3.855 1.00 0.16 C ATOM 0 H ALA A 50 -1.316 -5.824 4.132 1.00 0.11 H new ATOM 0 HA ALA A 50 0.508 -6.621 2.047 1.00 0.13 H new ATOM 0 HB1 ALA A 50 2.286 -7.357 3.571 1.00 0.16 H new ATOM 0 HB2 ALA A 50 2.108 -5.587 3.592 1.00 0.16 H new ATOM 0 HB3 ALA A 50 1.456 -6.563 4.930 1.00 0.16 H new ATOM 750 N THR A 51 -0.163 -8.986 2.595 1.00 0.17 N ATOM 751 CA THR A 51 -0.754 -10.308 2.800 1.00 0.22 C ATOM 752 C THR A 51 -0.284 -10.921 4.117 1.00 0.33 C ATOM 753 O THR A 51 0.919 -11.037 4.383 1.00 0.37 O ATOM 754 CB THR A 51 -0.387 -11.276 1.663 1.00 0.21 C ATOM 755 OG1 THR A 51 1.028 -11.354 1.524 1.00 0.25 O ATOM 756 CG2 THR A 51 -0.992 -10.853 0.340 1.00 0.20 C ATOM 0 H THR A 51 0.414 -8.910 1.757 1.00 0.17 H new ATOM 0 HA THR A 51 -1.834 -10.164 2.819 1.00 0.22 H new ATOM 0 HB THR A 51 -0.794 -12.252 1.928 1.00 0.21 H new ATOM 0 HG1 THR A 51 1.448 -10.636 2.043 1.00 0.25 H new ATOM 0 HG21 THR A 51 -0.707 -11.565 -0.435 1.00 0.20 H new ATOM 0 HG22 THR A 51 -2.078 -10.828 0.428 1.00 0.20 H new ATOM 0 HG23 THR A 51 -0.627 -9.861 0.073 1.00 0.20 H new ATOM 764 N PRO A 52 -1.246 -11.307 4.949 1.00 0.41 N ATOM 765 CA PRO A 52 -0.997 -12.005 6.212 1.00 0.54 C ATOM 766 C PRO A 52 -0.525 -13.432 5.971 1.00 0.61 C ATOM 767 O PRO A 52 -0.638 -13.945 4.861 1.00 0.58 O ATOM 768 CB PRO A 52 -2.376 -12.010 6.874 1.00 0.64 C ATOM 769 CG PRO A 52 -3.325 -11.961 5.737 1.00 0.60 C ATOM 770 CD PRO A 52 -2.680 -11.093 4.710 1.00 0.45 C ATOM 0 HA PRO A 52 -0.220 -11.531 6.812 1.00 0.54 H new ATOM 0 HB2 PRO A 52 -2.524 -12.905 7.478 1.00 0.64 H new ATOM 0 HB3 PRO A 52 -2.503 -11.154 7.536 1.00 0.64 H new ATOM 0 HG2 PRO A 52 -3.515 -12.959 5.342 1.00 0.60 H new ATOM 0 HG3 PRO A 52 -4.287 -11.552 6.047 1.00 0.60 H new ATOM 0 HD2 PRO A 52 -2.968 -11.382 3.699 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -2.958 -10.046 4.834 1.00 0.45 H new ATOM 778 N ALA A 53 0.004 -14.069 7.007 1.00 0.73 N ATOM 779 CA ALA A 53 0.419 -15.467 6.915 1.00 0.86 C ATOM 780 C ALA A 53 -0.782 -16.367 6.625 1.00 0.91 C ATOM 781 O ALA A 53 -0.633 -17.511 6.197 1.00 1.00 O ATOM 782 CB ALA A 53 1.111 -15.897 8.198 1.00 1.02 C ATOM 0 H ALA A 53 0.157 -13.643 7.921 1.00 0.73 H new ATOM 0 HA ALA A 53 1.125 -15.565 6.090 1.00 0.86 H new ATOM 0 HB1 ALA A 53 1.415 -16.941 8.115 1.00 1.02 H new ATOM 0 HB2 ALA A 53 1.991 -15.275 8.363 1.00 1.02 H new ATOM 0 HB3 ALA A 53 0.424 -15.784 9.037 1.00 1.02 H new ATOM 788 N SER A 54 -1.973 -15.834 6.866 1.00 0.89 N ATOM 789 CA SER A 54 -3.209 -16.536 6.560 1.00 0.98 C ATOM 790 C SER A 54 -3.503 -16.476 5.064 1.00 0.88 C ATOM 791 O SER A 54 -4.191 -17.334 4.519 1.00 0.97 O ATOM 792 CB SER A 54 -4.352 -15.897 7.332 1.00 1.07 C ATOM 793 OG SER A 54 -4.026 -15.757 8.706 1.00 1.58 O ATOM 0 H SER A 54 -2.107 -14.910 7.276 1.00 0.89 H new ATOM 0 HA SER A 54 -3.104 -17.581 6.851 1.00 0.98 H new ATOM 0 HB2 SER A 54 -4.579 -14.919 6.908 1.00 1.07 H new ATOM 0 HB3 SER A 54 -5.250 -16.506 7.228 1.00 1.07 H new ATOM 0 HG SER A 54 -4.777 -15.342 9.180 1.00 1.58 H new ATOM 799 N SER A 55 -2.973 -15.449 4.416 1.00 0.71 N ATOM 800 CA SER A 55 -3.116 -15.277 2.978 1.00 0.61 C ATOM 801 C SER A 55 -2.242 -16.294 2.249 1.00 0.63 C ATOM 802 O SER A 55 -1.210 -16.725 2.765 1.00 0.71 O ATOM 803 CB SER A 55 -2.708 -13.852 2.567 1.00 0.55 C ATOM 804 OG SER A 55 -2.817 -13.666 1.166 1.00 0.54 O ATOM 0 H SER A 55 -2.433 -14.713 4.871 1.00 0.71 H new ATOM 0 HA SER A 55 -4.160 -15.435 2.707 1.00 0.61 H new ATOM 0 HB2 SER A 55 -3.340 -13.128 3.082 1.00 0.55 H new ATOM 0 HB3 SER A 55 -1.682 -13.661 2.882 1.00 0.55 H new ATOM 0 HG SER A 55 -3.029 -12.728 0.976 1.00 0.54 H new ATOM 810 N GLU A 56 -2.663 -16.683 1.057 1.00 0.61 N ATOM 811 CA GLU A 56 -1.906 -17.628 0.253 1.00 0.69 C ATOM 812 C GLU A 56 -1.029 -16.876 -0.726 1.00 0.60 C ATOM 813 O GLU A 56 -0.259 -17.464 -1.485 1.00 0.70 O ATOM 814 CB GLU A 56 -2.842 -18.550 -0.510 1.00 0.80 C ATOM 815 CG GLU A 56 -3.966 -19.108 0.338 1.00 1.19 C ATOM 816 CD GLU A 56 -5.226 -18.270 0.267 1.00 2.20 C ATOM 817 OE1 GLU A 56 -6.046 -18.514 -0.635 1.00 2.89 O ATOM 818 OE2 GLU A 56 -5.405 -17.367 1.112 1.00 2.66 O ATOM 0 H GLU A 56 -3.527 -16.358 0.624 1.00 0.61 H new ATOM 0 HA GLU A 56 -1.285 -18.230 0.916 1.00 0.69 H new ATOM 0 HB2 GLU A 56 -3.269 -18.005 -1.352 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -2.266 -19.377 -0.925 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -4.191 -20.123 0.012 1.00 1.19 H new ATOM 0 HG3 GLU A 56 -3.636 -19.172 1.375 1.00 1.19 H new ATOM 825 N LYS A 57 -1.166 -15.566 -0.698 1.00 0.46 N ATOM 826 CA LYS A 57 -0.482 -14.701 -1.636 1.00 0.39 C ATOM 827 C LYS A 57 0.650 -13.958 -0.944 1.00 0.32 C ATOM 828 O LYS A 57 0.903 -14.154 0.247 1.00 0.39 O ATOM 829 CB LYS A 57 -1.464 -13.683 -2.217 1.00 0.41 C ATOM 830 CG LYS A 57 -2.858 -14.236 -2.487 1.00 0.56 C ATOM 831 CD LYS A 57 -2.860 -15.310 -3.550 1.00 0.89 C ATOM 832 CE LYS A 57 -2.299 -14.791 -4.860 1.00 1.84 C ATOM 833 NZ LYS A 57 -2.483 -15.757 -5.972 1.00 2.59 N ATOM 0 H LYS A 57 -1.753 -15.072 -0.026 1.00 0.46 H new ATOM 0 HA LYS A 57 -0.072 -15.317 -2.436 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -1.547 -12.842 -1.528 1.00 0.41 H new ATOM 0 HB3 LYS A 57 -1.055 -13.292 -3.149 1.00 0.41 H new ATOM 0 HG2 LYS A 57 -3.269 -14.643 -1.563 1.00 0.56 H new ATOM 0 HG3 LYS A 57 -3.514 -13.422 -2.796 1.00 0.56 H new ATOM 0 HD2 LYS A 57 -2.269 -16.161 -3.211 1.00 0.89 H new ATOM 0 HD3 LYS A 57 -3.877 -15.669 -3.705 1.00 0.89 H new ATOM 0 HE2 LYS A 57 -2.787 -13.850 -5.114 1.00 1.84 H new ATOM 0 HE3 LYS A 57 -1.237 -14.577 -4.739 1.00 1.84 H new ATOM 0 HZ1 LYS A 57 -2.085 -15.360 -6.847 1.00 2.59 H new ATOM 0 HZ2 LYS A 57 -1.996 -16.647 -5.743 1.00 2.59 H new ATOM 0 HZ3 LYS A 57 -3.497 -15.942 -6.107 1.00 2.59 H new ATOM 847 N MET A 58 1.335 -13.125 -1.707 1.00 0.27 N ATOM 848 CA MET A 58 2.293 -12.181 -1.162 1.00 0.25 C ATOM 849 C MET A 58 2.100 -10.850 -1.862 1.00 0.23 C ATOM 850 O MET A 58 2.416 -10.710 -3.041 1.00 0.29 O ATOM 851 CB MET A 58 3.749 -12.629 -1.364 1.00 0.29 C ATOM 852 CG MET A 58 3.956 -14.022 -1.964 1.00 0.42 C ATOM 853 SD MET A 58 3.222 -14.227 -3.602 1.00 1.78 S ATOM 854 CE MET A 58 3.612 -15.943 -3.933 1.00 1.53 C ATOM 0 H MET A 58 1.242 -13.084 -2.722 1.00 0.27 H new ATOM 0 HA MET A 58 2.116 -12.110 -0.089 1.00 0.25 H new ATOM 0 HB2 MET A 58 4.244 -11.902 -2.009 1.00 0.29 H new ATOM 0 HB3 MET A 58 4.254 -12.594 -0.399 1.00 0.29 H new ATOM 0 HG2 MET A 58 5.025 -14.225 -2.027 1.00 0.42 H new ATOM 0 HG3 MET A 58 3.530 -14.765 -1.290 1.00 0.42 H new ATOM 0 HE1 MET A 58 3.572 -16.124 -5.007 1.00 1.53 H new ATOM 0 HE2 MET A 58 4.613 -16.166 -3.564 1.00 1.53 H new ATOM 0 HE3 MET A 58 2.888 -16.584 -3.430 1.00 1.53 H new ATOM 864 N MET A 59 1.593 -9.867 -1.150 1.00 0.20 N ATOM 865 CA MET A 59 1.252 -8.606 -1.779 1.00 0.21 C ATOM 866 C MET A 59 1.244 -7.460 -0.780 1.00 0.18 C ATOM 867 O MET A 59 0.941 -7.649 0.395 1.00 0.26 O ATOM 868 CB MET A 59 -0.115 -8.721 -2.452 1.00 0.27 C ATOM 869 CG MET A 59 -0.095 -8.391 -3.932 1.00 0.64 C ATOM 870 SD MET A 59 -1.714 -8.534 -4.713 1.00 1.30 S ATOM 871 CE MET A 59 -2.070 -10.273 -4.461 1.00 0.62 C ATOM 0 H MET A 59 1.409 -9.913 -0.148 1.00 0.20 H new ATOM 0 HA MET A 59 2.015 -8.386 -2.526 1.00 0.21 H new ATOM 0 HB2 MET A 59 -0.491 -9.736 -2.320 1.00 0.27 H new ATOM 0 HB3 MET A 59 -0.815 -8.054 -1.949 1.00 0.27 H new ATOM 0 HG2 MET A 59 0.278 -7.376 -4.066 1.00 0.64 H new ATOM 0 HG3 MET A 59 0.605 -9.057 -4.437 1.00 0.64 H new ATOM 0 HE1 MET A 59 -2.859 -10.586 -5.145 1.00 0.62 H new ATOM 0 HE2 MET A 59 -1.171 -10.860 -4.651 1.00 0.62 H new ATOM 0 HE3 MET A 59 -2.397 -10.432 -3.434 1.00 0.62 H new ATOM 881 N LEU A 60 1.583 -6.281 -1.267 1.00 0.12 N ATOM 882 CA LEU A 60 1.507 -5.052 -0.487 1.00 0.10 C ATOM 883 C LEU A 60 0.513 -4.076 -1.121 1.00 0.10 C ATOM 884 O LEU A 60 0.240 -4.157 -2.315 1.00 0.13 O ATOM 885 CB LEU A 60 2.865 -4.366 -0.434 1.00 0.13 C ATOM 886 CG LEU A 60 3.585 -4.442 0.903 1.00 0.11 C ATOM 887 CD1 LEU A 60 4.384 -5.715 1.025 1.00 0.12 C ATOM 888 CD2 LEU A 60 4.489 -3.251 1.073 1.00 0.14 C ATOM 0 H LEU A 60 1.921 -6.144 -2.220 1.00 0.12 H new ATOM 0 HA LEU A 60 1.183 -5.321 0.518 1.00 0.10 H new ATOM 0 HB2 LEU A 60 3.506 -4.807 -1.197 1.00 0.13 H new ATOM 0 HB3 LEU A 60 2.733 -3.316 -0.697 1.00 0.13 H new ATOM 0 HG LEU A 60 2.831 -4.439 1.690 1.00 0.11 H new ATOM 0 HD11 LEU A 60 4.886 -5.738 1.992 1.00 0.12 H new ATOM 0 HD12 LEU A 60 3.717 -6.573 0.942 1.00 0.12 H new ATOM 0 HD13 LEU A 60 5.127 -5.756 0.229 1.00 0.12 H new ATOM 0 HD21 LEU A 60 4.999 -3.316 2.034 1.00 0.14 H new ATOM 0 HD22 LEU A 60 5.227 -3.237 0.271 1.00 0.14 H new ATOM 0 HD23 LEU A 60 3.897 -2.337 1.038 1.00 0.14 H new ATOM 900 N ARG A 61 -0.013 -3.149 -0.327 1.00 0.10 N ATOM 901 CA ARG A 61 -0.796 -2.039 -0.864 1.00 0.11 C ATOM 902 C ARG A 61 -0.690 -0.811 0.044 1.00 0.11 C ATOM 903 O ARG A 61 -1.167 -0.824 1.171 1.00 0.11 O ATOM 904 CB ARG A 61 -2.272 -2.407 -1.060 1.00 0.16 C ATOM 905 CG ARG A 61 -3.080 -1.284 -1.696 1.00 0.32 C ATOM 906 CD ARG A 61 -4.554 -1.635 -1.817 1.00 0.56 C ATOM 907 NE ARG A 61 -5.191 -1.818 -0.514 1.00 1.35 N ATOM 908 CZ ARG A 61 -6.409 -2.332 -0.347 1.00 1.67 C ATOM 909 NH1 ARG A 61 -7.115 -2.731 -1.395 1.00 1.46 N ATOM 910 NH2 ARG A 61 -6.929 -2.436 0.870 1.00 2.72 N ATOM 0 H ARG A 61 0.088 -3.143 0.688 1.00 0.10 H new ATOM 0 HA ARG A 61 -0.376 -1.807 -1.843 1.00 0.11 H new ATOM 0 HB2 ARG A 61 -2.340 -3.297 -1.686 1.00 0.16 H new ATOM 0 HB3 ARG A 61 -2.710 -2.662 -0.095 1.00 0.16 H new ATOM 0 HG2 ARG A 61 -2.972 -0.378 -1.100 1.00 0.32 H new ATOM 0 HG3 ARG A 61 -2.678 -1.065 -2.685 1.00 0.32 H new ATOM 0 HD2 ARG A 61 -5.069 -0.845 -2.363 1.00 0.56 H new ATOM 0 HD3 ARG A 61 -4.661 -2.548 -2.402 1.00 0.56 H new ATOM 0 HE ARG A 61 -4.672 -1.535 0.317 1.00 1.35 H new ATOM 0 HH11 ARG A 61 -6.726 -2.645 -2.334 1.00 1.46 H new ATOM 0 HH12 ARG A 61 -8.047 -3.124 -1.262 1.00 1.46 H new ATOM 0 HH21 ARG A 61 -6.396 -2.122 1.681 1.00 2.72 H new ATOM 0 HH22 ARG A 61 -7.862 -2.830 0.994 1.00 2.72 H new ATOM 924 N LEU A 62 -0.079 0.246 -0.463 1.00 0.11 N ATOM 925 CA LEU A 62 0.079 1.489 0.282 1.00 0.11 C ATOM 926 C LEU A 62 -1.084 2.444 -0.009 1.00 0.15 C ATOM 927 O LEU A 62 -1.231 2.945 -1.122 1.00 0.19 O ATOM 928 CB LEU A 62 1.433 2.124 -0.061 1.00 0.12 C ATOM 929 CG LEU A 62 2.582 1.641 0.833 1.00 0.20 C ATOM 930 CD1 LEU A 62 3.937 1.919 0.212 1.00 0.90 C ATOM 931 CD2 LEU A 62 2.509 2.301 2.191 1.00 0.86 C ATOM 0 H LEU A 62 0.322 0.270 -1.401 1.00 0.11 H new ATOM 0 HA LEU A 62 0.061 1.276 1.351 1.00 0.11 H new ATOM 0 HB2 LEU A 62 1.675 1.903 -1.101 1.00 0.12 H new ATOM 0 HB3 LEU A 62 1.349 3.207 0.024 1.00 0.12 H new ATOM 0 HG LEU A 62 2.471 0.562 0.942 1.00 0.20 H new ATOM 0 HD11 LEU A 62 4.723 1.561 0.878 1.00 0.90 H new ATOM 0 HD12 LEU A 62 4.011 1.404 -0.746 1.00 0.90 H new ATOM 0 HD13 LEU A 62 4.053 2.992 0.057 1.00 0.90 H new ATOM 0 HD21 LEU A 62 3.332 1.947 2.812 1.00 0.86 H new ATOM 0 HD22 LEU A 62 2.582 3.382 2.074 1.00 0.86 H new ATOM 0 HD23 LEU A 62 1.561 2.050 2.667 1.00 0.86 H new ATOM 943 N ILE A 63 -1.901 2.679 1.007 1.00 0.17 N ATOM 944 CA ILE A 63 -3.116 3.490 0.898 1.00 0.23 C ATOM 945 C ILE A 63 -2.808 4.966 1.122 1.00 0.21 C ATOM 946 O ILE A 63 -2.448 5.353 2.223 1.00 0.25 O ATOM 947 CB ILE A 63 -4.142 3.100 1.991 1.00 0.30 C ATOM 948 CG1 ILE A 63 -4.098 1.602 2.300 1.00 0.30 C ATOM 949 CG2 ILE A 63 -5.546 3.517 1.588 1.00 0.40 C ATOM 950 CD1 ILE A 63 -4.438 0.722 1.135 1.00 0.33 C ATOM 0 H ILE A 63 -1.741 2.310 1.944 1.00 0.17 H new ATOM 0 HA ILE A 63 -3.514 3.314 -0.101 1.00 0.23 H new ATOM 0 HB ILE A 63 -3.866 3.635 2.900 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -3.100 1.345 2.655 1.00 0.30 H new ATOM 0 HG13 ILE A 63 -4.791 1.390 3.115 1.00 0.30 H new ATOM 0 HG21 ILE A 63 -6.249 3.233 2.371 1.00 0.40 H new ATOM 0 HG22 ILE A 63 -5.578 4.597 1.446 1.00 0.40 H new ATOM 0 HG23 ILE A 63 -5.820 3.021 0.657 1.00 0.40 H new ATOM 0 HD11 ILE A 63 -4.383 -0.323 1.440 1.00 0.33 H new ATOM 0 HD12 ILE A 63 -5.448 0.947 0.792 1.00 0.33 H new ATOM 0 HD13 ILE A 63 -3.731 0.901 0.325 1.00 0.33 H new ATOM 962 N GLY A 64 -2.965 5.789 0.099 1.00 0.27 N ATOM 963 CA GLY A 64 -2.767 7.215 0.275 1.00 0.30 C ATOM 964 C GLY A 64 -3.975 7.871 0.916 1.00 0.35 C ATOM 965 O GLY A 64 -5.104 7.505 0.603 1.00 0.48 O ATOM 0 H GLY A 64 -3.224 5.501 -0.844 1.00 0.27 H new ATOM 0 HA2 GLY A 64 -1.887 7.387 0.895 1.00 0.30 H new ATOM 0 HA3 GLY A 64 -2.571 7.678 -0.692 1.00 0.30 H new ATOM 969 N LYS A 65 -3.738 8.827 1.815 1.00 0.30 N ATOM 970 CA LYS A 65 -4.820 9.521 2.512 1.00 0.33 C ATOM 971 C LYS A 65 -5.808 10.122 1.523 1.00 0.38 C ATOM 972 O LYS A 65 -5.414 10.769 0.550 1.00 0.41 O ATOM 973 CB LYS A 65 -4.290 10.654 3.401 1.00 0.34 C ATOM 974 CG LYS A 65 -3.919 10.248 4.823 1.00 0.36 C ATOM 975 CD LYS A 65 -2.422 10.084 5.019 1.00 0.40 C ATOM 976 CE LYS A 65 -2.085 9.918 6.492 1.00 0.43 C ATOM 977 NZ LYS A 65 -0.656 9.576 6.715 1.00 1.15 N ATOM 0 H LYS A 65 -2.803 9.139 2.078 1.00 0.30 H new ATOM 0 HA LYS A 65 -5.315 8.774 3.133 1.00 0.33 H new ATOM 0 HB2 LYS A 65 -3.411 11.087 2.924 1.00 0.34 H new ATOM 0 HB3 LYS A 65 -5.045 11.438 3.450 1.00 0.34 H new ATOM 0 HG2 LYS A 65 -4.291 11.000 5.519 1.00 0.36 H new ATOM 0 HG3 LYS A 65 -4.418 9.311 5.070 1.00 0.36 H new ATOM 0 HD2 LYS A 65 -2.071 9.216 4.461 1.00 0.40 H new ATOM 0 HD3 LYS A 65 -1.901 10.953 4.618 1.00 0.40 H new ATOM 0 HE2 LYS A 65 -2.321 10.841 7.021 1.00 0.43 H new ATOM 0 HE3 LYS A 65 -2.713 9.136 6.919 1.00 0.43 H new ATOM 0 HZ1 LYS A 65 -0.446 9.607 7.733 1.00 1.15 H new ATOM 0 HZ2 LYS A 65 -0.467 8.620 6.351 1.00 1.15 H new ATOM 0 HZ3 LYS A 65 -0.053 10.261 6.217 1.00 1.15 H new ATOM 991 N VAL A 66 -7.087 9.928 1.789 1.00 0.42 N ATOM 992 CA VAL A 66 -8.131 10.496 0.952 1.00 0.51 C ATOM 993 C VAL A 66 -8.405 11.928 1.381 1.00 0.57 C ATOM 994 O VAL A 66 -8.160 12.302 2.530 1.00 0.61 O ATOM 995 CB VAL A 66 -9.430 9.659 1.006 1.00 0.57 C ATOM 996 CG1 VAL A 66 -10.001 9.608 2.414 1.00 0.58 C ATOM 997 CG2 VAL A 66 -10.471 10.177 0.020 1.00 0.69 C ATOM 0 H VAL A 66 -7.429 9.381 2.579 1.00 0.42 H new ATOM 0 HA VAL A 66 -7.782 10.484 -0.080 1.00 0.51 H new ATOM 0 HB VAL A 66 -9.168 8.642 0.713 1.00 0.57 H new ATOM 0 HG11 VAL A 66 -10.913 9.012 2.415 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -9.272 9.156 3.086 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -10.228 10.619 2.751 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -11.371 9.565 0.086 1.00 0.69 H new ATOM 0 HG22 VAL A 66 -10.717 11.211 0.261 1.00 0.69 H new ATOM 0 HG23 VAL A 66 -10.070 10.126 -0.992 1.00 0.69 H new ATOM 1294 N GLN A 85 -6.933 6.789 -2.721 1.00 0.51 N ATOM 1295 CA GLN A 85 -6.128 6.219 -3.790 1.00 0.52 C ATOM 1296 C GLN A 85 -5.008 5.376 -3.205 1.00 0.43 C ATOM 1297 O GLN A 85 -4.201 5.847 -2.407 1.00 0.54 O ATOM 1298 CB GLN A 85 -5.586 7.311 -4.725 1.00 0.62 C ATOM 1299 CG GLN A 85 -4.937 8.480 -4.010 1.00 0.85 C ATOM 1300 CD GLN A 85 -3.435 8.546 -4.208 1.00 0.87 C ATOM 1301 OE1 GLN A 85 -2.946 9.158 -5.157 1.00 1.78 O ATOM 1302 NE2 GLN A 85 -2.692 7.922 -3.312 1.00 0.97 N ATOM 0 HA GLN A 85 -6.763 5.571 -4.395 1.00 0.52 H new ATOM 0 HB2 GLN A 85 -4.857 6.865 -5.402 1.00 0.62 H new ATOM 0 HB3 GLN A 85 -6.404 7.685 -5.340 1.00 0.62 H new ATOM 0 HG2 GLN A 85 -5.384 9.408 -4.366 1.00 0.85 H new ATOM 0 HG3 GLN A 85 -5.153 8.410 -2.944 1.00 0.85 H new ATOM 0 HE21 GLN A 85 -3.135 7.425 -2.539 1.00 0.97 H new ATOM 0 HE22 GLN A 85 -1.675 7.937 -3.393 1.00 0.97 H new ATOM 1311 N ARG A 86 -4.985 4.115 -3.587 1.00 0.31 N ATOM 1312 CA ARG A 86 -4.065 3.166 -2.991 1.00 0.27 C ATOM 1313 C ARG A 86 -3.105 2.638 -4.039 1.00 0.26 C ATOM 1314 O ARG A 86 -3.463 2.481 -5.203 1.00 0.40 O ATOM 1315 CB ARG A 86 -4.840 2.000 -2.371 1.00 0.36 C ATOM 1316 CG ARG A 86 -6.183 2.415 -1.790 1.00 0.72 C ATOM 1317 CD ARG A 86 -7.021 1.224 -1.360 1.00 0.54 C ATOM 1318 NE ARG A 86 -7.688 0.569 -2.487 1.00 1.21 N ATOM 1319 CZ ARG A 86 -8.788 -0.177 -2.361 1.00 1.48 C ATOM 1320 NH1 ARG A 86 -9.327 -0.373 -1.162 1.00 1.48 N ATOM 1321 NH2 ARG A 86 -9.346 -0.731 -3.431 1.00 2.29 N ATOM 0 H ARG A 86 -5.592 3.723 -4.307 1.00 0.31 H new ATOM 0 HA ARG A 86 -3.498 3.675 -2.212 1.00 0.27 H new ATOM 0 HB2 ARG A 86 -5.001 1.234 -3.130 1.00 0.36 H new ATOM 0 HB3 ARG A 86 -4.236 1.547 -1.585 1.00 0.36 H new ATOM 0 HG2 ARG A 86 -6.019 3.068 -0.933 1.00 0.72 H new ATOM 0 HG3 ARG A 86 -6.733 2.994 -2.532 1.00 0.72 H new ATOM 0 HD2 ARG A 86 -6.384 0.501 -0.850 1.00 0.54 H new ATOM 0 HD3 ARG A 86 -7.771 1.553 -0.640 1.00 0.54 H new ATOM 0 HE ARG A 86 -7.291 0.689 -3.419 1.00 1.21 H new ATOM 0 HH11 ARG A 86 -8.900 0.047 -0.336 1.00 1.48 H new ATOM 0 HH12 ARG A 86 -10.167 -0.943 -1.068 1.00 1.48 H new ATOM 0 HH21 ARG A 86 -8.934 -0.587 -4.353 1.00 2.29 H new ATOM 0 HH22 ARG A 86 -10.186 -1.300 -3.331 1.00 2.29 H new ATOM 1335 N HIS A 87 -1.890 2.365 -3.611 1.00 0.19 N ATOM 1336 CA HIS A 87 -0.861 1.856 -4.494 1.00 0.18 C ATOM 1337 C HIS A 87 -0.549 0.415 -4.128 1.00 0.15 C ATOM 1338 O HIS A 87 0.003 0.152 -3.066 1.00 0.14 O ATOM 1339 CB HIS A 87 0.395 2.718 -4.355 1.00 0.21 C ATOM 1340 CG HIS A 87 0.155 4.173 -4.618 1.00 0.28 C ATOM 1341 ND1 HIS A 87 -0.252 4.666 -5.839 1.00 0.41 N ATOM 1342 CD2 HIS A 87 0.246 5.245 -3.796 1.00 0.36 C ATOM 1343 CE1 HIS A 87 -0.395 5.975 -5.758 1.00 0.50 C ATOM 1344 NE2 HIS A 87 -0.100 6.353 -4.528 1.00 0.47 N ATOM 0 H HIS A 87 -1.588 2.489 -2.645 1.00 0.19 H new ATOM 0 HA HIS A 87 -1.208 1.893 -5.527 1.00 0.18 H new ATOM 0 HB2 HIS A 87 0.797 2.601 -3.349 1.00 0.21 H new ATOM 0 HB3 HIS A 87 1.155 2.353 -5.046 1.00 0.21 H new ATOM 0 HD1 HIS A 87 -0.417 4.106 -6.675 1.00 0.41 H new ATOM 0 HD2 HIS A 87 0.537 5.231 -2.756 1.00 0.36 H new ATOM 0 HE1 HIS A 87 -0.702 6.627 -6.562 1.00 0.50 H new ATOM 1353 N MET A 88 -0.891 -0.515 -4.998 1.00 0.16 N ATOM 1354 CA MET A 88 -0.706 -1.925 -4.687 1.00 0.15 C ATOM 1355 C MET A 88 0.455 -2.516 -5.467 1.00 0.20 C ATOM 1356 O MET A 88 0.543 -2.366 -6.685 1.00 0.30 O ATOM 1357 CB MET A 88 -1.970 -2.740 -4.964 1.00 0.20 C ATOM 1358 CG MET A 88 -1.801 -4.201 -4.582 1.00 0.23 C ATOM 1359 SD MET A 88 -3.137 -5.264 -5.165 1.00 0.32 S ATOM 1360 CE MET A 88 -4.476 -4.783 -4.076 1.00 0.42 C ATOM 0 H MET A 88 -1.294 -0.327 -5.916 1.00 0.16 H new ATOM 0 HA MET A 88 -0.484 -1.979 -3.621 1.00 0.15 H new ATOM 0 HB2 MET A 88 -2.805 -2.314 -4.408 1.00 0.20 H new ATOM 0 HB3 MET A 88 -2.223 -2.669 -6.022 1.00 0.20 H new ATOM 0 HG2 MET A 88 -0.856 -4.566 -4.986 1.00 0.23 H new ATOM 0 HG3 MET A 88 -1.735 -4.278 -3.497 1.00 0.23 H new ATOM 0 HE1 MET A 88 -5.123 -5.641 -3.894 1.00 0.42 H new ATOM 0 HE2 MET A 88 -4.066 -4.431 -3.129 1.00 0.42 H new ATOM 0 HE3 MET A 88 -5.054 -3.984 -4.541 1.00 0.42 H new ATOM 1370 N PHE A 89 1.344 -3.187 -4.753 1.00 0.18 N ATOM 1371 CA PHE A 89 2.478 -3.839 -5.368 1.00 0.28 C ATOM 1372 C PHE A 89 2.421 -5.329 -5.076 1.00 0.31 C ATOM 1373 O PHE A 89 2.387 -5.747 -3.916 1.00 0.43 O ATOM 1374 CB PHE A 89 3.775 -3.251 -4.819 1.00 0.34 C ATOM 1375 CG PHE A 89 3.601 -1.879 -4.235 1.00 0.57 C ATOM 1376 CD1 PHE A 89 3.550 -0.769 -5.060 1.00 0.81 C ATOM 1377 CD2 PHE A 89 3.502 -1.699 -2.868 1.00 0.93 C ATOM 1378 CE1 PHE A 89 3.398 0.495 -4.533 1.00 1.17 C ATOM 1379 CE2 PHE A 89 3.352 -0.436 -2.335 1.00 1.26 C ATOM 1380 CZ PHE A 89 3.259 0.648 -3.146 1.00 1.33 C ATOM 0 H PHE A 89 1.297 -3.292 -3.740 1.00 0.18 H new ATOM 0 HA PHE A 89 2.447 -3.680 -6.446 1.00 0.28 H new ATOM 0 HB2 PHE A 89 4.173 -3.917 -4.053 1.00 0.34 H new ATOM 0 HB3 PHE A 89 4.514 -3.207 -5.619 1.00 0.34 H new ATOM 0 HD1 PHE A 89 3.630 -0.895 -6.130 1.00 0.81 H new ATOM 0 HD2 PHE A 89 3.543 -2.555 -2.211 1.00 0.93 H new ATOM 0 HE1 PHE A 89 3.386 1.359 -5.181 1.00 1.17 H new ATOM 0 HE2 PHE A 89 3.308 -0.309 -1.263 1.00 1.26 H new ATOM 0 HZ PHE A 89 3.078 1.626 -2.724 1.00 1.33 H new ATOM 1390 N SER A 90 2.407 -6.121 -6.123 1.00 0.26 N ATOM 1391 CA SER A 90 2.358 -7.559 -5.986 1.00 0.26 C ATOM 1392 C SER A 90 3.762 -8.131 -5.888 1.00 0.23 C ATOM 1393 O SER A 90 4.625 -7.836 -6.714 1.00 0.24 O ATOM 1394 CB SER A 90 1.607 -8.173 -7.168 1.00 0.28 C ATOM 1395 OG SER A 90 0.321 -7.591 -7.312 1.00 0.94 O ATOM 0 H SER A 90 2.429 -5.790 -7.088 1.00 0.26 H new ATOM 0 HA SER A 90 1.825 -7.807 -5.068 1.00 0.26 H new ATOM 0 HB2 SER A 90 2.181 -8.027 -8.083 1.00 0.28 H new ATOM 0 HB3 SER A 90 1.509 -9.249 -7.022 1.00 0.28 H new ATOM 0 HG SER A 90 -0.249 -7.869 -6.565 1.00 0.94 H new ATOM 1401 N PHE A 91 3.986 -8.935 -4.867 1.00 0.21 N ATOM 1402 CA PHE A 91 5.261 -9.618 -4.701 1.00 0.21 C ATOM 1403 C PHE A 91 5.116 -11.103 -4.997 1.00 0.23 C ATOM 1404 O PHE A 91 4.016 -11.599 -5.243 1.00 0.28 O ATOM 1405 CB PHE A 91 5.812 -9.427 -3.285 1.00 0.30 C ATOM 1406 CG PHE A 91 6.533 -8.123 -3.095 1.00 0.63 C ATOM 1407 CD1 PHE A 91 7.716 -7.877 -3.767 1.00 0.91 C ATOM 1408 CD2 PHE A 91 6.038 -7.152 -2.246 1.00 0.99 C ATOM 1409 CE1 PHE A 91 8.392 -6.687 -3.599 1.00 1.20 C ATOM 1410 CE2 PHE A 91 6.712 -5.958 -2.074 1.00 1.29 C ATOM 1411 CZ PHE A 91 7.889 -5.727 -2.751 1.00 1.33 C ATOM 0 H PHE A 91 3.302 -9.134 -4.137 1.00 0.21 H new ATOM 0 HA PHE A 91 5.964 -9.178 -5.409 1.00 0.21 H new ATOM 0 HB2 PHE A 91 4.989 -9.486 -2.572 1.00 0.30 H new ATOM 0 HB3 PHE A 91 6.493 -10.247 -3.055 1.00 0.30 H new ATOM 0 HD1 PHE A 91 8.116 -8.627 -4.433 1.00 0.91 H new ATOM 0 HD2 PHE A 91 5.116 -7.328 -1.712 1.00 0.99 H new ATOM 0 HE1 PHE A 91 9.314 -6.509 -4.132 1.00 1.20 H new ATOM 0 HE2 PHE A 91 6.316 -5.206 -1.408 1.00 1.29 H new ATOM 0 HZ PHE A 91 8.416 -4.794 -2.617 1.00 1.33 H new ATOM 1421 N ASN A 92 6.241 -11.799 -5.005 1.00 0.31 N ATOM 1422 CA ASN A 92 6.266 -13.222 -5.307 1.00 0.39 C ATOM 1423 C ASN A 92 6.811 -13.999 -4.119 1.00 0.35 C ATOM 1424 O ASN A 92 6.932 -15.223 -4.162 1.00 0.42 O ATOM 1425 CB ASN A 92 7.133 -13.492 -6.540 1.00 0.51 C ATOM 1426 CG ASN A 92 6.636 -12.802 -7.806 1.00 0.80 C ATOM 1427 OD1 ASN A 92 5.324 -12.673 -7.960 1.00 1.53 O flip ATOM 1428 ND2 ASN A 92 7.432 -12.398 -8.652 1.00 1.27 N flip ATOM 0 H ASN A 92 7.157 -11.398 -4.804 1.00 0.31 H new ATOM 0 HA ASN A 92 5.247 -13.549 -5.513 1.00 0.39 H new ATOM 0 HB2 ASN A 92 8.152 -13.164 -6.335 1.00 0.51 H new ATOM 0 HB3 ASN A 92 7.174 -14.567 -6.716 1.00 0.51 H new ATOM 0 HD21 ASN A 92 8.435 -12.512 -8.504 1.00 1.27 H new ATOM 0 HD22 ASN A 92 7.089 -11.949 -9.501 1.00 1.27 H new ATOM 1435 N ASN A 93 7.154 -13.277 -3.063 1.00 0.30 N ATOM 1436 CA ASN A 93 7.654 -13.895 -1.845 1.00 0.32 C ATOM 1437 C ASN A 93 7.097 -13.170 -0.628 1.00 0.28 C ATOM 1438 O ASN A 93 7.187 -11.944 -0.527 1.00 0.23 O ATOM 1439 CB ASN A 93 9.186 -13.846 -1.833 1.00 0.37 C ATOM 1440 CG ASN A 93 9.815 -14.688 -0.736 1.00 0.44 C ATOM 1441 OD1 ASN A 93 9.214 -14.930 0.310 1.00 0.71 O ATOM 1442 ND2 ASN A 93 11.045 -15.119 -0.958 1.00 0.83 N ATOM 0 H ASN A 93 7.095 -12.259 -3.025 1.00 0.30 H new ATOM 0 HA ASN A 93 7.331 -14.935 -1.811 1.00 0.32 H new ATOM 0 HB2 ASN A 93 9.559 -14.186 -2.799 1.00 0.37 H new ATOM 0 HB3 ASN A 93 9.507 -12.811 -1.714 1.00 0.37 H new ATOM 0 HD21 ASN A 93 11.527 -15.672 -0.250 1.00 0.83 H new ATOM 0 HD22 ASN A 93 11.512 -14.898 -1.838 1.00 0.83 H new ATOM 1449 N ARG A 94 6.519 -13.936 0.293 1.00 0.34 N ATOM 1450 CA ARG A 94 5.888 -13.367 1.474 1.00 0.37 C ATOM 1451 C ARG A 94 6.939 -12.786 2.408 1.00 0.30 C ATOM 1452 O ARG A 94 6.649 -11.880 3.180 1.00 0.27 O ATOM 1453 CB ARG A 94 5.030 -14.417 2.192 1.00 0.57 C ATOM 1454 CG ARG A 94 3.992 -13.828 3.139 1.00 0.90 C ATOM 1455 CD ARG A 94 4.542 -13.647 4.537 1.00 0.71 C ATOM 1456 NE ARG A 94 3.639 -12.868 5.387 1.00 0.99 N ATOM 1457 CZ ARG A 94 3.614 -12.943 6.719 1.00 1.35 C ATOM 1458 NH1 ARG A 94 4.412 -13.790 7.359 1.00 2.16 N ATOM 1459 NH2 ARG A 94 2.782 -12.173 7.410 1.00 1.70 N ATOM 0 H ARG A 94 6.476 -14.954 0.242 1.00 0.34 H new ATOM 0 HA ARG A 94 5.229 -12.558 1.159 1.00 0.37 H new ATOM 0 HB2 ARG A 94 4.521 -15.027 1.446 1.00 0.57 H new ATOM 0 HB3 ARG A 94 5.684 -15.082 2.755 1.00 0.57 H new ATOM 0 HG2 ARG A 94 3.654 -12.866 2.754 1.00 0.90 H new ATOM 0 HG3 ARG A 94 3.120 -14.481 3.174 1.00 0.90 H new ATOM 0 HD2 ARG A 94 4.712 -14.624 4.989 1.00 0.71 H new ATOM 0 HD3 ARG A 94 5.510 -13.148 4.484 1.00 0.71 H new ATOM 0 HE ARG A 94 2.988 -12.228 4.932 1.00 0.99 H new ATOM 0 HH11 ARG A 94 5.049 -14.388 6.832 1.00 2.16 H new ATOM 0 HH12 ARG A 94 4.388 -13.843 8.377 1.00 2.16 H new ATOM 0 HH21 ARG A 94 2.163 -11.525 6.923 1.00 1.70 H new ATOM 0 HH22 ARG A 94 2.762 -12.229 8.428 1.00 1.70 H new ATOM 1473 N THR A 95 8.162 -13.285 2.315 1.00 0.30 N ATOM 1474 CA THR A 95 9.250 -12.759 3.117 1.00 0.27 C ATOM 1475 C THR A 95 9.615 -11.353 2.649 1.00 0.21 C ATOM 1476 O THR A 95 9.582 -10.408 3.429 1.00 0.18 O ATOM 1477 CB THR A 95 10.489 -13.663 3.041 1.00 0.32 C ATOM 1478 OG1 THR A 95 10.158 -14.989 3.470 1.00 0.40 O ATOM 1479 CG2 THR A 95 11.599 -13.099 3.905 1.00 0.32 C ATOM 0 H THR A 95 8.423 -14.051 1.694 1.00 0.30 H new ATOM 0 HA THR A 95 8.913 -12.725 4.153 1.00 0.27 H new ATOM 0 HB THR A 95 10.833 -13.703 2.007 1.00 0.32 H new ATOM 0 HG1 THR A 95 10.954 -15.558 3.416 1.00 0.40 H new ATOM 0 HG21 THR A 95 12.473 -13.748 3.844 1.00 0.32 H new ATOM 0 HG22 THR A 95 11.862 -12.101 3.554 1.00 0.32 H new ATOM 0 HG23 THR A 95 11.261 -13.042 4.940 1.00 0.32 H new ATOM 1487 N VAL A 96 9.958 -11.236 1.368 1.00 0.23 N ATOM 1488 CA VAL A 96 10.216 -9.944 0.732 1.00 0.21 C ATOM 1489 C VAL A 96 9.152 -8.931 1.090 1.00 0.19 C ATOM 1490 O VAL A 96 9.449 -7.859 1.611 1.00 0.19 O ATOM 1491 CB VAL A 96 10.227 -10.073 -0.802 1.00 0.25 C ATOM 1492 CG1 VAL A 96 10.406 -8.707 -1.457 1.00 0.28 C ATOM 1493 CG2 VAL A 96 11.315 -11.033 -1.248 1.00 0.29 C ATOM 0 H VAL A 96 10.065 -12.033 0.741 1.00 0.23 H new ATOM 0 HA VAL A 96 11.189 -9.613 1.094 1.00 0.21 H new ATOM 0 HB VAL A 96 9.265 -10.476 -1.120 1.00 0.25 H new ATOM 0 HG11 VAL A 96 10.411 -8.821 -2.541 1.00 0.28 H new ATOM 0 HG12 VAL A 96 9.585 -8.053 -1.165 1.00 0.28 H new ATOM 0 HG13 VAL A 96 11.351 -8.270 -1.134 1.00 0.28 H new ATOM 0 HG21 VAL A 96 11.308 -11.112 -2.335 1.00 0.29 H new ATOM 0 HG22 VAL A 96 12.285 -10.662 -0.918 1.00 0.29 H new ATOM 0 HG23 VAL A 96 11.134 -12.016 -0.812 1.00 0.29 H new ATOM 1503 N MET A 97 7.908 -9.274 0.810 1.00 0.19 N ATOM 1504 CA MET A 97 6.816 -8.364 1.060 1.00 0.19 C ATOM 1505 C MET A 97 6.660 -8.100 2.552 1.00 0.17 C ATOM 1506 O MET A 97 6.235 -7.026 2.944 1.00 0.19 O ATOM 1507 CB MET A 97 5.530 -8.900 0.436 1.00 0.21 C ATOM 1508 CG MET A 97 4.931 -10.104 1.129 1.00 0.22 C ATOM 1509 SD MET A 97 3.321 -9.770 1.861 1.00 0.29 S ATOM 1510 CE MET A 97 3.776 -9.288 3.517 1.00 0.17 C ATOM 0 H MET A 97 7.634 -10.172 0.412 1.00 0.19 H new ATOM 0 HA MET A 97 7.039 -7.407 0.589 1.00 0.19 H new ATOM 0 HB2 MET A 97 4.789 -8.101 0.426 1.00 0.21 H new ATOM 0 HB3 MET A 97 5.731 -9.161 -0.603 1.00 0.21 H new ATOM 0 HG2 MET A 97 4.835 -10.918 0.411 1.00 0.22 H new ATOM 0 HG3 MET A 97 5.614 -10.444 1.908 1.00 0.22 H new ATOM 0 HE1 MET A 97 2.910 -9.378 4.173 1.00 0.17 H new ATOM 0 HE2 MET A 97 4.574 -9.936 3.878 1.00 0.17 H new ATOM 0 HE3 MET A 97 4.122 -8.254 3.513 1.00 0.17 H new ATOM 1520 N ASP A 98 7.039 -9.060 3.390 1.00 0.16 N ATOM 1521 CA ASP A 98 6.994 -8.852 4.836 1.00 0.16 C ATOM 1522 C ASP A 98 8.057 -7.845 5.228 1.00 0.15 C ATOM 1523 O ASP A 98 7.873 -7.043 6.139 1.00 0.22 O ATOM 1524 CB ASP A 98 7.221 -10.164 5.585 1.00 0.21 C ATOM 1525 CG ASP A 98 7.182 -9.979 7.086 1.00 0.30 C ATOM 1526 OD1 ASP A 98 6.075 -9.814 7.638 1.00 0.38 O ATOM 1527 OD2 ASP A 98 8.258 -9.989 7.720 1.00 0.39 O ATOM 0 H ASP A 98 7.376 -9.978 3.100 1.00 0.16 H new ATOM 0 HA ASP A 98 6.007 -8.475 5.105 1.00 0.16 H new ATOM 0 HB2 ASP A 98 6.459 -10.886 5.290 1.00 0.21 H new ATOM 0 HB3 ASP A 98 8.185 -10.583 5.297 1.00 0.21 H new ATOM 1532 N ASN A 99 9.147 -7.875 4.484 1.00 0.12 N ATOM 1533 CA ASN A 99 10.281 -7.000 4.723 1.00 0.13 C ATOM 1534 C ASN A 99 9.940 -5.594 4.269 1.00 0.15 C ATOM 1535 O ASN A 99 10.126 -4.624 5.001 1.00 0.24 O ATOM 1536 CB ASN A 99 11.505 -7.519 3.962 1.00 0.22 C ATOM 1537 CG ASN A 99 11.991 -8.860 4.476 1.00 0.71 C ATOM 1538 OD1 ASN A 99 11.947 -9.134 5.676 1.00 1.55 O ATOM 1539 ND2 ASN A 99 12.427 -9.724 3.569 1.00 0.50 N ATOM 0 H ASN A 99 9.272 -8.509 3.694 1.00 0.12 H new ATOM 0 HA ASN A 99 10.510 -6.984 5.788 1.00 0.13 H new ATOM 0 HB2 ASN A 99 11.258 -7.608 2.904 1.00 0.22 H new ATOM 0 HB3 ASN A 99 12.312 -6.791 4.041 1.00 0.22 H new ATOM 0 HD21 ASN A 99 12.740 -10.651 3.857 1.00 0.50 H new ATOM 0 HD22 ASN A 99 12.449 -9.461 2.584 1.00 0.50 H new ATOM 1546 N ILE A 100 9.426 -5.510 3.057 1.00 0.12 N ATOM 1547 CA ILE A 100 8.958 -4.259 2.484 1.00 0.12 C ATOM 1548 C ILE A 100 7.868 -3.649 3.357 1.00 0.11 C ATOM 1549 O ILE A 100 7.956 -2.492 3.770 1.00 0.13 O ATOM 1550 CB ILE A 100 8.398 -4.507 1.070 1.00 0.11 C ATOM 1551 CG1 ILE A 100 9.507 -4.989 0.145 1.00 0.13 C ATOM 1552 CG2 ILE A 100 7.757 -3.252 0.503 1.00 0.12 C ATOM 1553 CD1 ILE A 100 10.559 -3.939 -0.101 1.00 0.11 C ATOM 0 H ILE A 100 9.320 -6.313 2.437 1.00 0.12 H new ATOM 0 HA ILE A 100 9.799 -3.568 2.429 1.00 0.12 H new ATOM 0 HB ILE A 100 7.629 -5.276 1.143 1.00 0.11 H new ATOM 0 HG12 ILE A 100 9.976 -5.873 0.577 1.00 0.13 H new ATOM 0 HG13 ILE A 100 9.073 -5.292 -0.808 1.00 0.13 H new ATOM 0 HG21 ILE A 100 7.372 -3.459 -0.495 1.00 0.12 H new ATOM 0 HG22 ILE A 100 6.938 -2.938 1.150 1.00 0.12 H new ATOM 0 HG23 ILE A 100 8.501 -2.457 0.447 1.00 0.12 H new ATOM 0 HD11 ILE A 100 11.324 -4.339 -0.767 1.00 0.11 H new ATOM 0 HD12 ILE A 100 10.099 -3.064 -0.560 1.00 0.11 H new ATOM 0 HD13 ILE A 100 11.016 -3.653 0.846 1.00 0.11 H new ATOM 1565 N LYS A 101 6.852 -4.453 3.641 1.00 0.11 N ATOM 1566 CA LYS A 101 5.738 -4.039 4.475 1.00 0.12 C ATOM 1567 C LYS A 101 6.218 -3.534 5.832 1.00 0.11 C ATOM 1568 O LYS A 101 5.818 -2.461 6.282 1.00 0.14 O ATOM 1569 CB LYS A 101 4.777 -5.218 4.662 1.00 0.18 C ATOM 1570 CG LYS A 101 3.894 -5.132 5.898 1.00 0.89 C ATOM 1571 CD LYS A 101 3.953 -6.418 6.723 1.00 0.75 C ATOM 1572 CE LYS A 101 4.983 -6.330 7.847 1.00 0.42 C ATOM 1573 NZ LYS A 101 5.084 -7.600 8.615 1.00 1.11 N ATOM 0 H LYS A 101 6.780 -5.411 3.298 1.00 0.11 H new ATOM 0 HA LYS A 101 5.221 -3.218 3.979 1.00 0.12 H new ATOM 0 HB2 LYS A 101 4.139 -5.292 3.781 1.00 0.18 H new ATOM 0 HB3 LYS A 101 5.359 -6.138 4.712 1.00 0.18 H new ATOM 0 HG2 LYS A 101 4.210 -4.290 6.513 1.00 0.89 H new ATOM 0 HG3 LYS A 101 2.864 -4.939 5.597 1.00 0.89 H new ATOM 0 HD2 LYS A 101 2.970 -6.622 7.147 1.00 0.75 H new ATOM 0 HD3 LYS A 101 4.199 -7.256 6.071 1.00 0.75 H new ATOM 0 HE2 LYS A 101 5.958 -6.083 7.426 1.00 0.42 H new ATOM 0 HE3 LYS A 101 4.713 -5.519 8.523 1.00 0.42 H new ATOM 0 HZ1 LYS A 101 5.370 -7.392 9.593 1.00 1.11 H new ATOM 0 HZ2 LYS A 101 4.160 -8.078 8.619 1.00 1.11 H new ATOM 0 HZ3 LYS A 101 5.792 -8.219 8.171 1.00 1.11 H new ATOM 1587 N MET A 102 7.083 -4.305 6.478 1.00 0.09 N ATOM 1588 CA MET A 102 7.532 -3.955 7.814 1.00 0.09 C ATOM 1589 C MET A 102 8.407 -2.710 7.765 1.00 0.09 C ATOM 1590 O MET A 102 8.508 -1.975 8.740 1.00 0.12 O ATOM 1591 CB MET A 102 8.280 -5.119 8.474 1.00 0.10 C ATOM 1592 CG MET A 102 9.716 -5.218 8.075 1.00 0.16 C ATOM 1593 SD MET A 102 10.591 -6.484 9.001 1.00 0.88 S ATOM 1594 CE MET A 102 12.109 -6.527 8.072 1.00 1.17 C ATOM 0 H MET A 102 7.482 -5.165 6.103 1.00 0.09 H new ATOM 0 HA MET A 102 6.653 -3.742 8.422 1.00 0.09 H new ATOM 0 HB2 MET A 102 8.220 -5.009 9.557 1.00 0.10 H new ATOM 0 HB3 MET A 102 7.777 -6.052 8.220 1.00 0.10 H new ATOM 0 HG2 MET A 102 9.781 -5.439 7.010 1.00 0.16 H new ATOM 0 HG3 MET A 102 10.202 -4.255 8.231 1.00 0.16 H new ATOM 0 HE1 MET A 102 12.312 -7.549 7.753 1.00 1.17 H new ATOM 0 HE2 MET A 102 12.018 -5.885 7.196 1.00 1.17 H new ATOM 0 HE3 MET A 102 12.928 -6.173 8.697 1.00 1.17 H new ATOM 1604 N THR A 103 9.023 -2.472 6.616 1.00 0.08 N ATOM 1605 CA THR A 103 9.815 -1.277 6.406 1.00 0.08 C ATOM 1606 C THR A 103 8.917 -0.052 6.419 1.00 0.08 C ATOM 1607 O THR A 103 9.166 0.919 7.134 1.00 0.09 O ATOM 1608 CB THR A 103 10.556 -1.349 5.056 1.00 0.10 C ATOM 1609 OG1 THR A 103 11.540 -2.388 5.091 1.00 0.15 O ATOM 1610 CG2 THR A 103 11.214 -0.034 4.709 1.00 0.11 C ATOM 0 H THR A 103 8.986 -3.098 5.812 1.00 0.08 H new ATOM 0 HA THR A 103 10.547 -1.205 7.210 1.00 0.08 H new ATOM 0 HB THR A 103 9.817 -1.569 4.285 1.00 0.10 H new ATOM 0 HG1 THR A 103 11.108 -3.253 4.934 1.00 0.15 H new ATOM 0 HG21 THR A 103 11.726 -0.125 3.751 1.00 0.11 H new ATOM 0 HG22 THR A 103 10.456 0.746 4.643 1.00 0.11 H new ATOM 0 HG23 THR A 103 11.936 0.227 5.483 1.00 0.11 H new ATOM 1618 N LEU A 104 7.852 -0.133 5.643 1.00 0.08 N ATOM 1619 CA LEU A 104 6.957 0.987 5.450 1.00 0.09 C ATOM 1620 C LEU A 104 6.159 1.291 6.705 1.00 0.11 C ATOM 1621 O LEU A 104 6.195 2.407 7.198 1.00 0.13 O ATOM 1622 CB LEU A 104 5.993 0.695 4.303 1.00 0.09 C ATOM 1623 CG LEU A 104 6.634 0.392 2.950 1.00 0.09 C ATOM 1624 CD1 LEU A 104 5.703 -0.427 2.092 1.00 0.11 C ATOM 1625 CD2 LEU A 104 6.981 1.664 2.228 1.00 0.11 C ATOM 0 H LEU A 104 7.586 -0.975 5.132 1.00 0.08 H new ATOM 0 HA LEU A 104 7.569 1.857 5.213 1.00 0.09 H new ATOM 0 HB2 LEU A 104 5.370 -0.153 4.586 1.00 0.09 H new ATOM 0 HB3 LEU A 104 5.330 1.552 4.185 1.00 0.09 H new ATOM 0 HG LEU A 104 7.546 -0.175 3.135 1.00 0.09 H new ATOM 0 HD11 LEU A 104 6.178 -0.632 1.133 1.00 0.11 H new ATOM 0 HD12 LEU A 104 5.479 -1.368 2.594 1.00 0.11 H new ATOM 0 HD13 LEU A 104 4.778 0.126 1.928 1.00 0.11 H new ATOM 0 HD21 LEU A 104 7.436 1.424 1.267 1.00 0.11 H new ATOM 0 HD22 LEU A 104 6.075 2.248 2.065 1.00 0.11 H new ATOM 0 HD23 LEU A 104 7.683 2.243 2.828 1.00 0.11 H new ATOM 1637 N GLN A 105 5.419 0.307 7.199 1.00 0.12 N ATOM 1638 CA GLN A 105 4.571 0.499 8.387 1.00 0.18 C ATOM 1639 C GLN A 105 5.330 1.105 9.565 1.00 0.18 C ATOM 1640 O GLN A 105 4.731 1.786 10.390 1.00 0.22 O ATOM 1641 CB GLN A 105 3.922 -0.805 8.844 1.00 0.28 C ATOM 1642 CG GLN A 105 3.021 -1.438 7.807 1.00 0.39 C ATOM 1643 CD GLN A 105 2.170 -2.547 8.370 1.00 0.64 C ATOM 1644 OE1 GLN A 105 2.738 -3.729 8.451 1.00 1.45 O flip ATOM 1645 NE2 GLN A 105 1.023 -2.337 8.755 1.00 0.99 N flip ATOM 0 H GLN A 105 5.383 -0.632 6.803 1.00 0.12 H new ATOM 0 HA GLN A 105 3.798 1.200 8.072 1.00 0.18 H new ATOM 0 HB2 GLN A 105 4.705 -1.514 9.112 1.00 0.28 H new ATOM 0 HB3 GLN A 105 3.342 -0.614 9.747 1.00 0.28 H new ATOM 0 HG2 GLN A 105 2.374 -0.672 7.378 1.00 0.39 H new ATOM 0 HG3 GLN A 105 3.631 -1.832 6.994 1.00 0.39 H new ATOM 0 HE21 GLN A 105 0.621 -1.403 8.673 1.00 0.99 H new ATOM 0 HE22 GLN A 105 0.473 -3.096 9.156 1.00 0.99 H new ATOM 1654 N GLN A 106 6.637 0.881 9.644 1.00 0.17 N ATOM 1655 CA GLN A 106 7.426 1.438 10.728 1.00 0.20 C ATOM 1656 C GLN A 106 7.559 2.939 10.538 1.00 0.20 C ATOM 1657 O GLN A 106 7.658 3.712 11.491 1.00 0.36 O ATOM 1658 CB GLN A 106 8.787 0.774 10.767 1.00 0.25 C ATOM 1659 CG GLN A 106 8.784 -0.587 11.440 1.00 0.30 C ATOM 1660 CD GLN A 106 10.169 -1.191 11.539 1.00 0.38 C ATOM 1661 OE1 GLN A 106 10.874 -1.008 12.531 1.00 0.65 O ATOM 1662 NE2 GLN A 106 10.569 -1.911 10.506 1.00 0.47 N ATOM 0 H GLN A 106 7.166 0.322 8.975 1.00 0.17 H new ATOM 0 HA GLN A 106 6.928 1.251 11.680 1.00 0.20 H new ATOM 0 HB2 GLN A 106 9.157 0.664 9.748 1.00 0.25 H new ATOM 0 HB3 GLN A 106 9.485 1.427 11.291 1.00 0.25 H new ATOM 0 HG2 GLN A 106 8.361 -0.493 12.440 1.00 0.30 H new ATOM 0 HG3 GLN A 106 8.136 -1.263 10.882 1.00 0.30 H new ATOM 0 HE21 GLN A 106 9.953 -2.038 9.703 1.00 0.47 H new ATOM 0 HE22 GLN A 106 11.494 -2.340 10.511 1.00 0.47 H new ATOM 1671 N ILE A 107 7.542 3.326 9.280 1.00 0.13 N ATOM 1672 CA ILE A 107 7.507 4.714 8.873 1.00 0.13 C ATOM 1673 C ILE A 107 6.108 5.273 9.072 1.00 0.14 C ATOM 1674 O ILE A 107 5.925 6.387 9.537 1.00 0.17 O ATOM 1675 CB ILE A 107 7.846 4.830 7.375 1.00 0.13 C ATOM 1676 CG1 ILE A 107 9.221 4.224 7.075 1.00 0.13 C ATOM 1677 CG2 ILE A 107 7.765 6.273 6.928 1.00 0.16 C ATOM 1678 CD1 ILE A 107 9.467 3.953 5.607 1.00 0.14 C ATOM 0 H ILE A 107 7.552 2.672 8.497 1.00 0.13 H new ATOM 0 HA ILE A 107 8.231 5.266 9.473 1.00 0.13 H new ATOM 0 HB ILE A 107 7.110 4.260 6.807 1.00 0.13 H new ATOM 0 HG12 ILE A 107 9.993 4.900 7.443 1.00 0.13 H new ATOM 0 HG13 ILE A 107 9.324 3.291 7.628 1.00 0.13 H new ATOM 0 HG21 ILE A 107 8.007 6.339 5.867 1.00 0.16 H new ATOM 0 HG22 ILE A 107 6.756 6.649 7.094 1.00 0.16 H new ATOM 0 HG23 ILE A 107 8.474 6.871 7.500 1.00 0.16 H new ATOM 0 HD11 ILE A 107 10.461 3.525 5.478 1.00 0.14 H new ATOM 0 HD12 ILE A 107 8.719 3.252 5.236 1.00 0.14 H new ATOM 0 HD13 ILE A 107 9.398 4.886 5.048 1.00 0.14 H new ATOM 1690 N ILE A 108 5.118 4.485 8.699 1.00 0.13 N ATOM 1691 CA ILE A 108 3.738 4.925 8.769 1.00 0.17 C ATOM 1692 C ILE A 108 3.306 5.101 10.212 1.00 0.23 C ATOM 1693 O ILE A 108 2.669 6.086 10.546 1.00 0.29 O ATOM 1694 CB ILE A 108 2.810 3.943 8.040 1.00 0.19 C ATOM 1695 CG1 ILE A 108 3.496 3.523 6.742 1.00 0.18 C ATOM 1696 CG2 ILE A 108 1.449 4.574 7.776 1.00 0.26 C ATOM 1697 CD1 ILE A 108 2.568 3.102 5.632 1.00 0.15 C ATOM 0 H ILE A 108 5.244 3.537 8.344 1.00 0.13 H new ATOM 0 HA ILE A 108 3.665 5.891 8.269 1.00 0.17 H new ATOM 0 HB ILE A 108 2.629 3.064 8.659 1.00 0.19 H new ATOM 0 HG12 ILE A 108 4.107 4.353 6.388 1.00 0.18 H new ATOM 0 HG13 ILE A 108 4.174 2.698 6.959 1.00 0.18 H new ATOM 0 HG21 ILE A 108 0.810 3.858 7.259 1.00 0.26 H new ATOM 0 HG22 ILE A 108 0.988 4.854 8.723 1.00 0.26 H new ATOM 0 HG23 ILE A 108 1.574 5.462 7.157 1.00 0.26 H new ATOM 0 HD11 ILE A 108 3.152 2.823 4.755 1.00 0.15 H new ATOM 0 HD12 ILE A 108 1.974 2.248 5.958 1.00 0.15 H new ATOM 0 HD13 ILE A 108 1.905 3.929 5.378 1.00 0.15 H new ATOM 1709 N SER A 109 3.679 4.155 11.065 1.00 0.28 N ATOM 1710 CA SER A 109 3.440 4.266 12.502 1.00 0.37 C ATOM 1711 C SER A 109 4.151 5.489 13.058 1.00 0.37 C ATOM 1712 O SER A 109 3.692 6.119 14.010 1.00 0.43 O ATOM 1713 CB SER A 109 3.908 2.996 13.216 1.00 0.45 C ATOM 1714 OG SER A 109 3.247 1.854 12.691 1.00 1.22 O ATOM 0 H SER A 109 4.152 3.296 10.785 1.00 0.28 H new ATOM 0 HA SER A 109 2.370 4.382 12.675 1.00 0.37 H new ATOM 0 HB2 SER A 109 4.986 2.884 13.100 1.00 0.45 H new ATOM 0 HB3 SER A 109 3.709 3.079 14.284 1.00 0.45 H new ATOM 0 HG SER A 109 3.629 1.627 11.818 1.00 1.22 H new ATOM 1720 N ARG A 110 5.248 5.841 12.411 1.00 0.33 N ATOM 1721 CA ARG A 110 6.003 7.026 12.741 1.00 0.35 C ATOM 1722 C ARG A 110 5.172 8.270 12.419 1.00 0.38 C ATOM 1723 O ARG A 110 5.288 9.306 13.078 1.00 0.48 O ATOM 1724 CB ARG A 110 7.311 7.001 11.945 1.00 0.34 C ATOM 1725 CG ARG A 110 7.782 8.347 11.489 1.00 1.27 C ATOM 1726 CD ARG A 110 9.073 8.219 10.716 1.00 1.25 C ATOM 1727 NE ARG A 110 9.584 9.518 10.289 1.00 2.39 N ATOM 1728 CZ ARG A 110 10.564 9.675 9.403 1.00 2.70 C ATOM 1729 NH1 ARG A 110 11.129 8.614 8.843 1.00 1.97 N ATOM 1730 NH2 ARG A 110 10.976 10.894 9.078 1.00 3.79 N ATOM 0 H ARG A 110 5.639 5.305 11.636 1.00 0.33 H new ATOM 0 HA ARG A 110 6.238 7.053 13.805 1.00 0.35 H new ATOM 0 HB2 ARG A 110 8.088 6.547 12.560 1.00 0.34 H new ATOM 0 HB3 ARG A 110 7.179 6.361 11.073 1.00 0.34 H new ATOM 0 HG2 ARG A 110 7.021 8.813 10.863 1.00 1.27 H new ATOM 0 HG3 ARG A 110 7.929 8.999 12.350 1.00 1.27 H new ATOM 0 HD2 ARG A 110 9.819 7.721 11.336 1.00 1.25 H new ATOM 0 HD3 ARG A 110 8.912 7.588 9.842 1.00 1.25 H new ATOM 0 HE ARG A 110 9.165 10.355 10.694 1.00 2.39 H new ATOM 0 HH11 ARG A 110 10.812 7.677 9.091 1.00 1.97 H new ATOM 0 HH12 ARG A 110 11.880 8.735 8.164 1.00 1.97 H new ATOM 0 HH21 ARG A 110 10.541 11.711 9.508 1.00 3.79 H new ATOM 0 HH22 ARG A 110 11.727 11.014 8.399 1.00 3.79 H new ATOM 1744 N TYR A 111 4.313 8.147 11.410 1.00 0.34 N ATOM 1745 CA TYR A 111 3.470 9.245 10.987 1.00 0.41 C ATOM 1746 C TYR A 111 2.068 9.143 11.586 1.00 0.49 C ATOM 1747 O TYR A 111 1.334 10.127 11.621 1.00 0.60 O ATOM 1748 CB TYR A 111 3.414 9.316 9.466 1.00 0.37 C ATOM 1749 CG TYR A 111 4.673 9.902 8.871 1.00 0.38 C ATOM 1750 CD1 TYR A 111 4.822 11.272 8.715 1.00 0.48 C ATOM 1751 CD2 TYR A 111 5.718 9.084 8.484 1.00 0.34 C ATOM 1752 CE1 TYR A 111 5.981 11.806 8.184 1.00 0.53 C ATOM 1753 CE2 TYR A 111 6.882 9.606 7.957 1.00 0.40 C ATOM 1754 CZ TYR A 111 7.009 10.967 7.809 1.00 0.48 C ATOM 1755 OH TYR A 111 8.167 11.492 7.284 1.00 0.55 O ATOM 0 H TYR A 111 4.188 7.290 10.872 1.00 0.34 H new ATOM 0 HA TYR A 111 3.911 10.169 11.360 1.00 0.41 H new ATOM 0 HB2 TYR A 111 3.257 8.315 9.064 1.00 0.37 H new ATOM 0 HB3 TYR A 111 2.558 9.919 9.164 1.00 0.37 H new ATOM 0 HD1 TYR A 111 4.020 11.932 9.013 1.00 0.48 H new ATOM 0 HD2 TYR A 111 5.622 8.014 8.596 1.00 0.34 H new ATOM 0 HE1 TYR A 111 6.081 12.875 8.063 1.00 0.53 H new ATOM 0 HE2 TYR A 111 7.688 8.950 7.663 1.00 0.40 H new ATOM 0 HH TYR A 111 8.790 10.765 7.073 1.00 0.55 H new ATOM 2059 N PHE B 261 -5.390 -8.414 2.317 1.00 0.48 N ATOM 2060 CA PHE B 261 -4.237 -8.115 3.148 1.00 0.48 C ATOM 2061 C PHE B 261 -4.697 -7.679 4.534 1.00 0.66 C ATOM 2062 O PHE B 261 -5.898 -7.620 4.805 1.00 0.95 O ATOM 2063 CB PHE B 261 -3.414 -6.983 2.523 1.00 0.50 C ATOM 2064 CG PHE B 261 -3.231 -7.071 1.030 1.00 0.46 C ATOM 2065 CD1 PHE B 261 -3.185 -8.292 0.379 1.00 0.44 C ATOM 2066 CD2 PHE B 261 -3.118 -5.917 0.276 1.00 0.67 C ATOM 2067 CE1 PHE B 261 -3.033 -8.360 -0.989 1.00 0.51 C ATOM 2068 CE2 PHE B 261 -2.965 -5.977 -1.091 1.00 0.75 C ATOM 2069 CZ PHE B 261 -2.924 -7.199 -1.726 1.00 0.62 C ATOM 0 HA PHE B 261 -3.624 -9.013 3.225 1.00 0.48 H new ATOM 0 HB2 PHE B 261 -3.894 -6.033 2.759 1.00 0.50 H new ATOM 0 HB3 PHE B 261 -2.431 -6.968 2.993 1.00 0.50 H new ATOM 0 HD1 PHE B 261 -3.269 -9.204 0.951 1.00 0.44 H new ATOM 0 HD2 PHE B 261 -3.150 -4.955 0.766 1.00 0.67 H new ATOM 0 HE1 PHE B 261 -2.999 -9.320 -1.483 1.00 0.51 H new ATOM 0 HE2 PHE B 261 -2.877 -5.067 -1.665 1.00 0.75 H new ATOM 0 HZ PHE B 261 -2.807 -7.248 -2.799 1.00 0.62 H new ATOM 2079 N VAL B 262 -3.747 -7.373 5.407 1.00 0.55 N ATOM 2080 CA VAL B 262 -4.067 -6.859 6.732 1.00 0.67 C ATOM 2081 C VAL B 262 -3.042 -5.808 7.165 1.00 0.54 C ATOM 2082 O VAL B 262 -1.864 -5.898 6.814 1.00 0.50 O ATOM 2083 CB VAL B 262 -4.125 -7.999 7.778 1.00 0.84 C ATOM 2084 CG1 VAL B 262 -2.752 -8.624 7.986 1.00 1.37 C ATOM 2085 CG2 VAL B 262 -4.697 -7.497 9.097 1.00 1.14 C ATOM 0 H VAL B 262 -2.749 -7.472 5.222 1.00 0.55 H new ATOM 0 HA VAL B 262 -5.051 -6.394 6.675 1.00 0.67 H new ATOM 0 HB VAL B 262 -4.789 -8.772 7.392 1.00 0.84 H new ATOM 0 HG11 VAL B 262 -2.823 -9.421 8.726 1.00 1.37 H new ATOM 0 HG12 VAL B 262 -2.393 -9.035 7.043 1.00 1.37 H new ATOM 0 HG13 VAL B 262 -2.056 -7.863 8.339 1.00 1.37 H new ATOM 0 HG21 VAL B 262 -4.728 -8.316 9.816 1.00 1.14 H new ATOM 0 HG22 VAL B 262 -4.067 -6.697 9.486 1.00 1.14 H new ATOM 0 HG23 VAL B 262 -5.706 -7.118 8.935 1.00 1.14 H new ATOM 2095 N GLU B 263 -3.508 -4.793 7.888 1.00 0.57 N ATOM 2096 CA GLU B 263 -2.621 -3.798 8.475 1.00 0.55 C ATOM 2097 C GLU B 263 -2.011 -4.366 9.749 1.00 0.56 C ATOM 2098 O GLU B 263 -2.736 -4.762 10.667 1.00 0.62 O ATOM 2099 CB GLU B 263 -3.390 -2.511 8.802 1.00 0.73 C ATOM 2100 CG GLU B 263 -2.506 -1.392 9.340 1.00 1.21 C ATOM 2101 CD GLU B 263 -3.282 -0.318 10.081 1.00 1.73 C ATOM 2102 OE1 GLU B 263 -4.415 -0.586 10.534 1.00 2.24 O ATOM 2103 OE2 GLU B 263 -2.759 0.805 10.228 1.00 2.20 O ATOM 0 H GLU B 263 -4.498 -4.640 8.081 1.00 0.57 H new ATOM 0 HA GLU B 263 -1.835 -3.557 7.759 1.00 0.55 H new ATOM 0 HB2 GLU B 263 -3.897 -2.162 7.902 1.00 0.73 H new ATOM 0 HB3 GLU B 263 -4.164 -2.736 9.536 1.00 0.73 H new ATOM 0 HG2 GLU B 263 -1.759 -1.818 10.010 1.00 1.21 H new ATOM 0 HG3 GLU B 263 -1.966 -0.934 8.511 1.00 1.21 H new