USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 509 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 13 ASN : amide:sc= 0.647 K(o=0.46,f=-3.5!) USER MOD Set 1.2: A 38 SER OG : rot 130:sc= -0.245 USER MOD Set 1.3: A 67 SER OG : rot -156:sc= 0.0583! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS :FLIP no HD1:sc= -0.0619 F(o=-0.6,f=-0.062) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -135:sc= -0.446 (180deg=-1.65!) USER MOD Single : A 37 SER OG : rot 140:sc= 0.144 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -155:sc=0.000768 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -120:sc= -1.01 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -87:sc= 0.175 USER MOD Single : A 66 TYR OH : rot 79:sc= -3.66! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 58:sc= 0.709 USER MOD Single : A 77 ASN : amide:sc= -0.0941 K(o=-0.094,f=-1.9) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.289 K(o=-0.29,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 5 7.896 -8.259 -7.195 1.00 34.13 N ATOM 53 CA GLU A 5 7.395 -9.423 -7.917 1.00 23.14 C ATOM 54 C GLU A 5 8.246 -10.654 -7.620 1.00 25.50 C ATOM 55 O GLU A 5 9.289 -10.866 -8.239 1.00 4.00 O ATOM 56 CB GLU A 5 7.381 -9.150 -9.422 1.00 42.01 C ATOM 57 CG GLU A 5 6.307 -9.921 -10.170 1.00 71.15 C ATOM 58 CD GLU A 5 5.768 -9.159 -11.365 1.00 75.35 C ATOM 59 OE1 GLU A 5 6.380 -9.246 -12.450 1.00 55.44 O ATOM 60 OE2 GLU A 5 4.732 -8.477 -11.215 1.00 44.31 O ATOM 0 HA GLU A 5 6.376 -9.617 -7.581 1.00 23.14 H new ATOM 0 HB2 GLU A 5 7.233 -8.083 -9.588 1.00 42.01 H new ATOM 0 HB3 GLU A 5 8.356 -9.405 -9.838 1.00 42.01 H new ATOM 0 HG2 GLU A 5 6.716 -10.874 -10.506 1.00 71.15 H new ATOM 0 HG3 GLU A 5 5.487 -10.148 -9.489 1.00 71.15 H new ATOM 67 N VAL A 6 7.794 -11.464 -6.668 1.00 32.12 N ATOM 68 CA VAL A 6 8.512 -12.675 -6.288 1.00 43.24 C ATOM 69 C VAL A 6 7.732 -13.923 -6.683 1.00 72.51 C ATOM 70 O VAL A 6 6.606 -14.133 -6.230 1.00 62.11 O ATOM 71 CB VAL A 6 8.788 -12.712 -4.773 1.00 72.44 C ATOM 72 CG1 VAL A 6 9.565 -13.967 -4.403 1.00 14.42 C ATOM 73 CG2 VAL A 6 9.537 -11.463 -4.337 1.00 45.44 C ATOM 0 H VAL A 6 6.933 -11.303 -6.145 1.00 32.12 H new ATOM 0 HA VAL A 6 9.462 -12.661 -6.822 1.00 43.24 H new ATOM 0 HB VAL A 6 7.833 -12.736 -4.248 1.00 72.44 H new ATOM 0 HG11 VAL A 6 9.751 -13.976 -3.329 1.00 14.42 H new ATOM 0 HG12 VAL A 6 8.986 -14.848 -4.679 1.00 14.42 H new ATOM 0 HG13 VAL A 6 10.516 -13.977 -4.936 1.00 14.42 H new ATOM 0 HG21 VAL A 6 9.723 -11.506 -3.264 1.00 45.44 H new ATOM 0 HG22 VAL A 6 10.487 -11.404 -4.868 1.00 45.44 H new ATOM 0 HG23 VAL A 6 8.938 -10.581 -4.566 1.00 45.44 H new ATOM 83 N ILE A 7 8.337 -14.750 -7.529 1.00 42.24 N ATOM 84 CA ILE A 7 7.699 -15.979 -7.984 1.00 23.12 C ATOM 85 C ILE A 7 8.570 -17.194 -7.683 1.00 23.10 C ATOM 86 O ILE A 7 9.623 -17.383 -8.293 1.00 20.24 O ATOM 87 CB ILE A 7 7.404 -15.935 -9.495 1.00 11.23 C ATOM 88 CG1 ILE A 7 6.901 -17.297 -9.978 1.00 51.53 C ATOM 89 CG2 ILE A 7 8.648 -15.519 -10.266 1.00 31.34 C ATOM 90 CD1 ILE A 7 6.467 -17.301 -11.428 1.00 4.35 C ATOM 0 H ILE A 7 9.268 -14.591 -7.913 1.00 42.24 H new ATOM 0 HA ILE A 7 6.758 -16.065 -7.441 1.00 23.12 H new ATOM 0 HB ILE A 7 6.624 -15.195 -9.677 1.00 11.23 H new ATOM 0 HG12 ILE A 7 7.690 -18.036 -9.841 1.00 51.53 H new ATOM 0 HG13 ILE A 7 6.062 -17.607 -9.355 1.00 51.53 H new ATOM 0 HG21 ILE A 7 8.423 -15.493 -11.332 1.00 31.34 H new ATOM 0 HG22 ILE A 7 8.966 -14.529 -9.938 1.00 31.34 H new ATOM 0 HG23 ILE A 7 9.447 -16.237 -10.081 1.00 31.34 H new ATOM 0 HD11 ILE A 7 6.123 -18.298 -11.702 1.00 4.35 H new ATOM 0 HD12 ILE A 7 5.656 -16.586 -11.567 1.00 4.35 H new ATOM 0 HD13 ILE A 7 7.309 -17.022 -12.061 1.00 4.35 H new ATOM 102 N VAL A 8 8.123 -18.017 -6.740 1.00 2.04 N ATOM 103 CA VAL A 8 8.860 -19.216 -6.359 1.00 71.32 C ATOM 104 C VAL A 8 7.971 -20.453 -6.431 1.00 2.14 C ATOM 105 O VAL A 8 6.789 -20.401 -6.091 1.00 53.15 O ATOM 106 CB VAL A 8 9.436 -19.093 -4.936 1.00 63.22 C ATOM 107 CG1 VAL A 8 10.067 -17.724 -4.732 1.00 63.41 C ATOM 108 CG2 VAL A 8 8.354 -19.350 -3.899 1.00 75.32 C ATOM 0 H VAL A 8 7.254 -17.875 -6.226 1.00 2.04 H new ATOM 0 HA VAL A 8 9.682 -19.321 -7.067 1.00 71.32 H new ATOM 0 HB VAL A 8 10.213 -19.847 -4.811 1.00 63.22 H new ATOM 0 HG11 VAL A 8 10.469 -17.655 -3.721 1.00 63.41 H new ATOM 0 HG12 VAL A 8 10.873 -17.584 -5.453 1.00 63.41 H new ATOM 0 HG13 VAL A 8 9.313 -16.951 -4.876 1.00 63.41 H new ATOM 0 HG21 VAL A 8 8.779 -19.259 -2.899 1.00 75.32 H new ATOM 0 HG22 VAL A 8 7.553 -18.621 -4.021 1.00 75.32 H new ATOM 0 HG23 VAL A 8 7.953 -20.355 -4.033 1.00 75.32 H new ATOM 118 N TYR A 9 8.548 -21.564 -6.873 1.00 63.42 N ATOM 119 CA TYR A 9 7.808 -22.815 -6.991 1.00 61.11 C ATOM 120 C TYR A 9 7.942 -23.649 -5.721 1.00 31.24 C ATOM 121 O TYR A 9 9.008 -23.699 -5.108 1.00 12.12 O ATOM 122 CB TYR A 9 8.307 -23.616 -8.195 1.00 41.10 C ATOM 123 CG TYR A 9 7.742 -23.140 -9.515 1.00 24.54 C ATOM 124 CD1 TYR A 9 7.835 -21.806 -9.892 1.00 20.32 C ATOM 125 CD2 TYR A 9 7.115 -24.025 -10.384 1.00 4.24 C ATOM 126 CE1 TYR A 9 7.320 -21.367 -11.096 1.00 71.11 C ATOM 127 CE2 TYR A 9 6.599 -23.595 -11.590 1.00 52.24 C ATOM 128 CZ TYR A 9 6.703 -22.265 -11.942 1.00 63.11 C ATOM 129 OH TYR A 9 6.189 -21.833 -13.143 1.00 13.42 O ATOM 0 H TYR A 9 9.526 -21.624 -7.156 1.00 63.42 H new ATOM 0 HA TYR A 9 6.755 -22.572 -7.136 1.00 61.11 H new ATOM 0 HB2 TYR A 9 9.395 -23.559 -8.233 1.00 41.10 H new ATOM 0 HB3 TYR A 9 8.048 -24.665 -8.055 1.00 41.10 H new ATOM 0 HD1 TYR A 9 8.318 -21.100 -9.232 1.00 20.32 H new ATOM 0 HD2 TYR A 9 7.030 -25.067 -10.111 1.00 4.24 H new ATOM 0 HE1 TYR A 9 7.400 -20.326 -11.374 1.00 71.11 H new ATOM 0 HE2 TYR A 9 6.116 -24.296 -12.255 1.00 52.24 H new ATOM 0 HH TYR A 9 5.790 -22.591 -13.619 1.00 13.42 H new ATOM 139 N GLU A 10 6.852 -24.303 -5.332 1.00 74.23 N ATOM 140 CA GLU A 10 6.847 -25.135 -4.135 1.00 33.32 C ATOM 141 C GLU A 10 7.086 -26.600 -4.489 1.00 70.12 C ATOM 142 O GLU A 10 6.408 -27.493 -3.979 1.00 2.31 O ATOM 143 CB GLU A 10 5.517 -24.990 -3.391 1.00 44.31 C ATOM 144 CG GLU A 10 5.530 -25.595 -1.998 1.00 20.33 C ATOM 145 CD GLU A 10 4.777 -24.751 -0.988 1.00 22.12 C ATOM 146 OE1 GLU A 10 5.315 -23.704 -0.570 1.00 71.42 O ATOM 147 OE2 GLU A 10 3.650 -25.138 -0.615 1.00 55.24 O ATOM 0 H GLU A 10 5.961 -24.273 -5.828 1.00 74.23 H new ATOM 0 HA GLU A 10 7.657 -24.799 -3.487 1.00 33.32 H new ATOM 0 HB2 GLU A 10 5.266 -23.932 -3.316 1.00 44.31 H new ATOM 0 HB3 GLU A 10 4.729 -25.464 -3.977 1.00 44.31 H new ATOM 0 HG2 GLU A 10 5.089 -26.591 -2.034 1.00 20.33 H new ATOM 0 HG3 GLU A 10 6.562 -25.715 -1.668 1.00 20.33 H new ATOM 154 N HIS A 11 8.055 -26.840 -5.368 1.00 14.25 N ATOM 155 CA HIS A 11 8.384 -28.196 -5.791 1.00 22.10 C ATOM 156 C HIS A 11 9.405 -28.178 -6.925 1.00 33.30 C ATOM 157 O HIS A 11 9.972 -27.134 -7.247 1.00 60.31 O ATOM 158 CB HIS A 11 7.122 -28.935 -6.237 1.00 11.32 C ATOM 159 CG HIS A 11 6.807 -30.139 -5.404 1.00 70.10 C ATOM 160 ND1 HIS A 11 6.957 -30.362 -4.077 1.00 52.34 N flip ATOM 161 CD2 HIS A 11 6.271 -31.297 -5.927 1.00 63.14 C flip ATOM 162 CE1 HIS A 11 6.513 -31.637 -3.826 1.00 44.05 C flip ATOM 163 NE2 HIS A 11 6.103 -32.179 -4.958 1.00 13.32 N flip ATOM 0 H HIS A 11 8.625 -26.113 -5.800 1.00 14.25 H new ATOM 0 HA HIS A 11 8.820 -28.720 -4.940 1.00 22.10 H new ATOM 0 HB2 HIS A 11 6.277 -28.248 -6.202 1.00 11.32 H new ATOM 0 HB3 HIS A 11 7.239 -29.243 -7.276 1.00 11.32 H new ATOM 0 HD2 HIS A 11 6.027 -31.458 -6.967 1.00 63.14 H new ATOM 0 HE1 HIS A 11 6.501 -32.118 -2.859 1.00 44.05 H new ATOM 0 HE2 HIS A 11 5.721 -33.119 -5.066 1.00 13.32 H new ATOM 171 N VAL A 12 9.634 -29.341 -7.527 1.00 22.35 N ATOM 172 CA VAL A 12 10.586 -29.459 -8.625 1.00 21.34 C ATOM 173 C VAL A 12 10.130 -28.655 -9.836 1.00 53.54 C ATOM 174 O VAL A 12 8.957 -28.301 -9.954 1.00 22.33 O ATOM 175 CB VAL A 12 10.782 -30.929 -9.042 1.00 51.12 C ATOM 176 CG1 VAL A 12 12.017 -31.075 -9.918 1.00 73.22 C ATOM 177 CG2 VAL A 12 10.880 -31.822 -7.815 1.00 73.50 C ATOM 0 H VAL A 12 9.173 -30.215 -7.273 1.00 22.35 H new ATOM 0 HA VAL A 12 11.535 -29.061 -8.265 1.00 21.34 H new ATOM 0 HB VAL A 12 9.915 -31.243 -9.623 1.00 51.12 H new ATOM 0 HG11 VAL A 12 12.140 -32.120 -10.203 1.00 73.22 H new ATOM 0 HG12 VAL A 12 11.901 -30.466 -10.814 1.00 73.22 H new ATOM 0 HG13 VAL A 12 12.896 -30.744 -9.365 1.00 73.22 H new ATOM 0 HG21 VAL A 12 11.018 -32.857 -8.128 1.00 73.50 H new ATOM 0 HG22 VAL A 12 11.728 -31.511 -7.205 1.00 73.50 H new ATOM 0 HG23 VAL A 12 9.964 -31.739 -7.231 1.00 73.50 H new ATOM 187 N ASN A 13 11.065 -28.368 -10.736 1.00 60.42 N ATOM 188 CA ASN A 13 10.759 -27.605 -11.940 1.00 50.34 C ATOM 189 C ASN A 13 10.273 -28.523 -13.058 1.00 12.32 C ATOM 190 O ASN A 13 10.810 -28.508 -14.166 1.00 15.12 O ATOM 191 CB ASN A 13 11.993 -26.828 -12.404 1.00 52.30 C ATOM 192 CG ASN A 13 13.217 -27.713 -12.537 1.00 1.41 C ATOM 193 OD1 ASN A 13 13.778 -28.169 -11.541 1.00 31.14 O ATOM 194 ND2 ASN A 13 13.638 -27.959 -13.772 1.00 53.23 N ATOM 0 H ASN A 13 12.041 -28.653 -10.654 1.00 60.42 H new ATOM 0 HA ASN A 13 9.962 -26.901 -11.700 1.00 50.34 H new ATOM 0 HB2 ASN A 13 11.783 -26.357 -13.364 1.00 52.30 H new ATOM 0 HB3 ASN A 13 12.202 -26.027 -11.695 1.00 52.30 H new ATOM 0 HD21 ASN A 13 14.457 -28.547 -13.924 1.00 53.23 H new ATOM 0 HD22 ASN A 13 13.142 -27.560 -14.569 1.00 53.23 H new ATOM 201 N PHE A 14 9.253 -29.320 -12.759 1.00 72.41 N ATOM 202 CA PHE A 14 8.694 -30.246 -13.738 1.00 12.32 C ATOM 203 C PHE A 14 7.496 -30.993 -13.158 1.00 1.50 C ATOM 204 O PHE A 14 7.209 -32.124 -13.546 1.00 23.32 O ATOM 205 CB PHE A 14 9.760 -31.244 -14.194 1.00 74.10 C ATOM 206 CG PHE A 14 9.878 -32.445 -13.300 1.00 30.12 C ATOM 207 CD1 PHE A 14 9.975 -32.295 -11.926 1.00 22.32 C ATOM 208 CD2 PHE A 14 9.893 -33.724 -13.833 1.00 55.23 C ATOM 209 CE1 PHE A 14 10.084 -33.398 -11.100 1.00 32.41 C ATOM 210 CE2 PHE A 14 10.000 -34.830 -13.012 1.00 65.44 C ATOM 211 CZ PHE A 14 10.098 -34.668 -11.644 1.00 55.43 C ATOM 0 H PHE A 14 8.796 -29.344 -11.847 1.00 72.41 H new ATOM 0 HA PHE A 14 8.357 -29.667 -14.598 1.00 12.32 H new ATOM 0 HB2 PHE A 14 9.527 -31.576 -15.206 1.00 74.10 H new ATOM 0 HB3 PHE A 14 10.724 -30.738 -14.239 1.00 74.10 H new ATOM 0 HD1 PHE A 14 9.965 -31.305 -11.495 1.00 22.32 H new ATOM 0 HD2 PHE A 14 9.820 -33.858 -14.902 1.00 55.23 H new ATOM 0 HE1 PHE A 14 10.158 -33.267 -10.031 1.00 32.41 H new ATOM 0 HE2 PHE A 14 10.007 -35.822 -13.440 1.00 65.44 H new ATOM 0 HZ PHE A 14 10.185 -35.532 -11.001 1.00 55.43 H new ATOM 221 N GLY A 15 6.800 -30.350 -12.225 1.00 3.41 N ATOM 222 CA GLY A 15 5.642 -30.967 -11.606 1.00 24.54 C ATOM 223 C GLY A 15 5.344 -30.395 -10.234 1.00 54.33 C ATOM 224 O GLY A 15 5.115 -31.137 -9.280 1.00 50.12 O ATOM 0 H GLY A 15 7.018 -29.413 -11.887 1.00 3.41 H new ATOM 0 HA2 GLY A 15 4.773 -30.830 -12.250 1.00 24.54 H new ATOM 0 HA3 GLY A 15 5.809 -32.041 -11.520 1.00 24.54 H new ATOM 228 N GLY A 16 5.347 -29.069 -10.135 1.00 1.24 N ATOM 229 CA GLY A 16 5.075 -28.420 -8.866 1.00 11.54 C ATOM 230 C GLY A 16 4.252 -27.156 -9.025 1.00 63.42 C ATOM 231 O GLY A 16 4.017 -26.696 -10.143 1.00 31.52 O ATOM 0 H GLY A 16 5.533 -28.433 -10.911 1.00 1.24 H new ATOM 0 HA2 GLY A 16 4.546 -29.114 -8.213 1.00 11.54 H new ATOM 0 HA3 GLY A 16 6.018 -28.177 -8.377 1.00 11.54 H new ATOM 235 N LYS A 17 3.812 -26.594 -7.905 1.00 53.31 N ATOM 236 CA LYS A 17 3.010 -25.376 -7.924 1.00 72.10 C ATOM 237 C LYS A 17 3.894 -24.140 -7.792 1.00 70.24 C ATOM 238 O LYS A 17 5.057 -24.236 -7.401 1.00 61.31 O ATOM 239 CB LYS A 17 1.979 -25.402 -6.793 1.00 4.12 C ATOM 240 CG LYS A 17 2.599 -25.422 -5.406 1.00 72.12 C ATOM 241 CD LYS A 17 1.667 -24.817 -4.370 1.00 53.31 C ATOM 242 CE LYS A 17 0.370 -25.604 -4.259 1.00 51.14 C ATOM 243 NZ LYS A 17 -0.159 -25.609 -2.867 1.00 63.13 N ATOM 0 H LYS A 17 3.997 -26.962 -6.972 1.00 53.31 H new ATOM 0 HA LYS A 17 2.490 -25.328 -8.881 1.00 72.10 H new ATOM 0 HB2 LYS A 17 1.333 -24.528 -6.881 1.00 4.12 H new ATOM 0 HB3 LYS A 17 1.344 -26.280 -6.911 1.00 4.12 H new ATOM 0 HG2 LYS A 17 2.837 -26.449 -5.127 1.00 72.12 H new ATOM 0 HG3 LYS A 17 3.538 -24.869 -5.418 1.00 72.12 H new ATOM 0 HD2 LYS A 17 2.164 -24.795 -3.400 1.00 53.31 H new ATOM 0 HD3 LYS A 17 1.445 -23.784 -4.638 1.00 53.31 H new ATOM 0 HE2 LYS A 17 -0.374 -25.173 -4.929 1.00 51.14 H new ATOM 0 HE3 LYS A 17 0.539 -26.630 -4.587 1.00 51.14 H new ATOM 0 HZ1 LYS A 17 -1.043 -26.155 -2.834 1.00 63.13 H new ATOM 0 HZ2 LYS A 17 0.540 -26.043 -2.231 1.00 63.13 H new ATOM 0 HZ3 LYS A 17 -0.344 -24.632 -2.562 1.00 63.13 H new ATOM 257 N SER A 18 3.334 -22.980 -8.120 1.00 43.03 N ATOM 258 CA SER A 18 4.073 -21.725 -8.041 1.00 21.33 C ATOM 259 C SER A 18 3.195 -20.613 -7.475 1.00 44.00 C ATOM 260 O SER A 18 1.968 -20.708 -7.487 1.00 30.33 O ATOM 261 CB SER A 18 4.593 -21.327 -9.423 1.00 44.21 C ATOM 262 OG SER A 18 3.608 -20.619 -10.154 1.00 55.34 O ATOM 0 H SER A 18 2.371 -22.883 -8.443 1.00 43.03 H new ATOM 0 HA SER A 18 4.920 -21.872 -7.371 1.00 21.33 H new ATOM 0 HB2 SER A 18 5.485 -20.709 -9.315 1.00 44.21 H new ATOM 0 HB3 SER A 18 4.888 -22.219 -9.975 1.00 44.21 H new ATOM 0 HG SER A 18 3.966 -20.375 -11.033 1.00 55.34 H new ATOM 268 N PHE A 19 3.834 -19.558 -6.980 1.00 0.01 N ATOM 269 CA PHE A 19 3.113 -18.427 -6.408 1.00 51.33 C ATOM 270 C PHE A 19 3.452 -17.136 -7.148 1.00 54.11 C ATOM 271 O PHE A 19 4.567 -16.624 -7.047 1.00 71.32 O ATOM 272 CB PHE A 19 3.448 -18.279 -4.923 1.00 32.34 C ATOM 273 CG PHE A 19 3.504 -19.588 -4.188 1.00 72.20 C ATOM 274 CD1 PHE A 19 2.375 -20.384 -4.077 1.00 21.13 C ATOM 275 CD2 PHE A 19 4.685 -20.023 -3.609 1.00 42.03 C ATOM 276 CE1 PHE A 19 2.424 -21.588 -3.401 1.00 31.54 C ATOM 277 CE2 PHE A 19 4.740 -21.227 -2.932 1.00 42.22 C ATOM 278 CZ PHE A 19 3.608 -22.011 -2.829 1.00 1.13 C ATOM 0 H PHE A 19 4.849 -19.463 -6.964 1.00 0.01 H new ATOM 0 HA PHE A 19 2.045 -18.618 -6.515 1.00 51.33 H new ATOM 0 HB2 PHE A 19 4.409 -17.774 -4.824 1.00 32.34 H new ATOM 0 HB3 PHE A 19 2.702 -17.639 -4.452 1.00 32.34 H new ATOM 0 HD1 PHE A 19 1.447 -20.060 -4.524 1.00 21.13 H new ATOM 0 HD2 PHE A 19 5.574 -19.414 -3.687 1.00 42.03 H new ATOM 0 HE1 PHE A 19 1.537 -22.198 -3.320 1.00 31.54 H new ATOM 0 HE2 PHE A 19 5.667 -21.554 -2.484 1.00 42.22 H new ATOM 0 HZ PHE A 19 3.648 -22.953 -2.302 1.00 1.13 H new ATOM 288 N ASP A 20 2.482 -16.615 -7.892 1.00 33.53 N ATOM 289 CA ASP A 20 2.676 -15.384 -8.649 1.00 35.22 C ATOM 290 C ASP A 20 1.830 -14.253 -8.072 1.00 40.02 C ATOM 291 O ASP A 20 1.133 -13.551 -8.804 1.00 0.21 O ATOM 292 CB ASP A 20 2.321 -15.604 -10.120 1.00 54.12 C ATOM 293 CG ASP A 20 1.095 -16.479 -10.296 1.00 1.12 C ATOM 294 OD1 ASP A 20 1.246 -17.718 -10.292 1.00 61.34 O ATOM 295 OD2 ASP A 20 -0.015 -15.924 -10.438 1.00 30.24 O ATOM 0 H ASP A 20 1.553 -17.026 -7.987 1.00 33.53 H new ATOM 0 HA ASP A 20 3.726 -15.102 -8.575 1.00 35.22 H new ATOM 0 HB2 ASP A 20 2.147 -14.639 -10.597 1.00 54.12 H new ATOM 0 HB3 ASP A 20 3.168 -16.063 -10.630 1.00 54.12 H new ATOM 473 N LYS A 35 13.853 -29.455 2.143 1.00 33.44 N ATOM 474 CA LYS A 35 13.250 -28.530 1.192 1.00 42.43 C ATOM 475 C LYS A 35 13.917 -28.644 -0.175 1.00 43.32 C ATOM 476 O LYS A 35 15.144 -28.666 -0.277 1.00 43.33 O ATOM 477 CB LYS A 35 13.361 -27.093 1.707 1.00 51.33 C ATOM 478 CG LYS A 35 14.777 -26.686 2.074 1.00 3.22 C ATOM 479 CD LYS A 35 14.883 -25.189 2.314 1.00 31.13 C ATOM 480 CE LYS A 35 14.632 -24.401 1.038 1.00 14.30 C ATOM 481 NZ LYS A 35 13.221 -23.931 0.945 1.00 64.32 N ATOM 0 HA LYS A 35 12.197 -28.792 1.086 1.00 42.43 H new ATOM 0 HB2 LYS A 35 12.983 -26.412 0.944 1.00 51.33 H new ATOM 0 HB3 LYS A 35 12.721 -26.979 2.582 1.00 51.33 H new ATOM 0 HG2 LYS A 35 15.090 -27.222 2.970 1.00 3.22 H new ATOM 0 HG3 LYS A 35 15.459 -26.976 1.275 1.00 3.22 H new ATOM 0 HD2 LYS A 35 14.163 -24.890 3.075 1.00 31.13 H new ATOM 0 HD3 LYS A 35 15.874 -24.951 2.701 1.00 31.13 H new ATOM 0 HE2 LYS A 35 15.304 -23.543 1.003 1.00 14.30 H new ATOM 0 HE3 LYS A 35 14.865 -25.024 0.175 1.00 14.30 H new ATOM 0 HZ1 LYS A 35 12.859 -24.108 -0.014 1.00 64.32 H new ATOM 0 HZ2 LYS A 35 12.638 -24.445 1.636 1.00 64.32 H new ATOM 0 HZ3 LYS A 35 13.181 -22.912 1.148 1.00 64.32 H new ATOM 495 N ILE A 36 13.102 -28.715 -1.222 1.00 43.42 N ATOM 496 CA ILE A 36 13.615 -28.824 -2.582 1.00 54.55 C ATOM 497 C ILE A 36 12.634 -28.230 -3.588 1.00 44.43 C ATOM 498 O ILE A 36 11.506 -28.702 -3.724 1.00 13.43 O ATOM 499 CB ILE A 36 13.897 -30.289 -2.962 1.00 20.21 C ATOM 500 CG1 ILE A 36 12.694 -31.169 -2.616 1.00 23.44 C ATOM 501 CG2 ILE A 36 15.147 -30.788 -2.253 1.00 62.41 C ATOM 502 CD1 ILE A 36 12.258 -32.069 -3.750 1.00 74.41 C ATOM 0 H ILE A 36 12.084 -28.699 -1.155 1.00 43.42 H new ATOM 0 HA ILE A 36 14.549 -28.263 -2.613 1.00 54.55 H new ATOM 0 HB ILE A 36 14.066 -30.344 -4.037 1.00 20.21 H new ATOM 0 HG12 ILE A 36 12.940 -31.783 -1.750 1.00 23.44 H new ATOM 0 HG13 ILE A 36 11.859 -30.531 -2.327 1.00 23.44 H new ATOM 0 HG21 ILE A 36 15.334 -31.825 -2.531 1.00 62.41 H new ATOM 0 HG22 ILE A 36 16.000 -30.175 -2.544 1.00 62.41 H new ATOM 0 HG23 ILE A 36 15.004 -30.722 -1.174 1.00 62.41 H new ATOM 0 HD11 ILE A 36 11.401 -32.664 -3.434 1.00 74.41 H new ATOM 0 HD12 ILE A 36 11.980 -31.461 -4.611 1.00 74.41 H new ATOM 0 HD13 ILE A 36 13.078 -32.732 -4.024 1.00 74.41 H new ATOM 514 N SER A 37 13.074 -27.192 -4.293 1.00 63.12 N ATOM 515 CA SER A 37 12.235 -26.532 -5.286 1.00 42.33 C ATOM 516 C SER A 37 13.062 -25.589 -6.156 1.00 31.32 C ATOM 517 O SER A 37 14.290 -25.664 -6.177 1.00 4.20 O ATOM 518 CB SER A 37 11.110 -25.755 -4.599 1.00 45.11 C ATOM 519 OG SER A 37 11.604 -24.573 -3.993 1.00 14.23 O ATOM 0 H SER A 37 14.006 -26.790 -4.195 1.00 63.12 H new ATOM 0 HA SER A 37 11.799 -27.300 -5.925 1.00 42.33 H new ATOM 0 HB2 SER A 37 10.342 -25.500 -5.329 1.00 45.11 H new ATOM 0 HB3 SER A 37 10.637 -26.384 -3.845 1.00 45.11 H new ATOM 0 HG SER A 37 10.968 -23.842 -4.136 1.00 14.23 H new ATOM 525 N SER A 38 12.378 -24.703 -6.872 1.00 42.23 N ATOM 526 CA SER A 38 13.048 -23.747 -7.747 1.00 73.53 C ATOM 527 C SER A 38 12.771 -22.315 -7.301 1.00 31.24 C ATOM 528 O SER A 38 11.719 -22.024 -6.731 1.00 52.41 O ATOM 529 CB SER A 38 12.589 -23.940 -9.194 1.00 32.30 C ATOM 530 OG SER A 38 12.136 -25.265 -9.413 1.00 65.23 O ATOM 0 H SER A 38 11.361 -24.627 -6.864 1.00 42.23 H new ATOM 0 HA SER A 38 14.121 -23.927 -7.686 1.00 73.53 H new ATOM 0 HB2 SER A 38 11.788 -23.236 -9.422 1.00 32.30 H new ATOM 0 HB3 SER A 38 13.412 -23.717 -9.873 1.00 32.30 H new ATOM 0 HG SER A 38 11.257 -25.243 -9.846 1.00 65.23 H new ATOM 536 N ILE A 39 13.723 -21.426 -7.563 1.00 54.02 N ATOM 537 CA ILE A 39 13.582 -20.024 -7.190 1.00 33.13 C ATOM 538 C ILE A 39 13.686 -19.117 -8.411 1.00 12.32 C ATOM 539 O ILE A 39 14.723 -19.063 -9.072 1.00 70.10 O ATOM 540 CB ILE A 39 14.649 -19.606 -6.161 1.00 15.32 C ATOM 541 CG1 ILE A 39 14.162 -19.901 -4.740 1.00 41.15 C ATOM 542 CG2 ILE A 39 14.984 -18.130 -6.316 1.00 14.24 C ATOM 543 CD1 ILE A 39 13.721 -21.334 -4.539 1.00 14.44 C ATOM 0 H ILE A 39 14.600 -21.652 -8.032 1.00 54.02 H new ATOM 0 HA ILE A 39 12.594 -19.914 -6.742 1.00 33.13 H new ATOM 0 HB ILE A 39 15.554 -20.185 -6.342 1.00 15.32 H new ATOM 0 HG12 ILE A 39 14.962 -19.673 -4.036 1.00 41.15 H new ATOM 0 HG13 ILE A 39 13.331 -19.237 -4.504 1.00 41.15 H new ATOM 0 HG21 ILE A 39 15.739 -17.849 -5.582 1.00 14.24 H new ATOM 0 HG22 ILE A 39 15.368 -17.947 -7.320 1.00 14.24 H new ATOM 0 HG23 ILE A 39 14.085 -17.534 -6.157 1.00 14.24 H new ATOM 0 HD11 ILE A 39 13.389 -21.472 -3.510 1.00 14.44 H new ATOM 0 HD12 ILE A 39 12.900 -21.561 -5.219 1.00 14.44 H new ATOM 0 HD13 ILE A 39 14.556 -22.004 -4.743 1.00 14.44 H new ATOM 555 N LYS A 40 12.604 -18.403 -8.704 1.00 44.42 N ATOM 556 CA LYS A 40 12.573 -17.494 -9.844 1.00 1.30 C ATOM 557 C LYS A 40 12.453 -16.045 -9.382 1.00 32.14 C ATOM 558 O LYS A 40 11.565 -15.704 -8.600 1.00 21.22 O ATOM 559 CB LYS A 40 11.406 -17.843 -10.769 1.00 74.45 C ATOM 560 CG LYS A 40 11.661 -17.500 -12.227 1.00 31.31 C ATOM 561 CD LYS A 40 10.373 -17.140 -12.949 1.00 23.12 C ATOM 562 CE LYS A 40 10.378 -17.646 -14.383 1.00 62.12 C ATOM 563 NZ LYS A 40 9.827 -19.026 -14.487 1.00 0.43 N ATOM 0 H LYS A 40 11.737 -18.436 -8.168 1.00 44.42 H new ATOM 0 HA LYS A 40 13.509 -17.606 -10.391 1.00 1.30 H new ATOM 0 HB2 LYS A 40 11.195 -18.909 -10.687 1.00 74.45 H new ATOM 0 HB3 LYS A 40 10.515 -17.315 -10.431 1.00 74.45 H new ATOM 0 HG2 LYS A 40 12.359 -16.665 -12.289 1.00 31.31 H new ATOM 0 HG3 LYS A 40 12.133 -18.348 -12.724 1.00 31.31 H new ATOM 0 HD2 LYS A 40 9.524 -17.566 -12.415 1.00 23.12 H new ATOM 0 HD3 LYS A 40 10.242 -16.058 -12.944 1.00 23.12 H new ATOM 0 HE2 LYS A 40 9.791 -16.973 -15.008 1.00 62.12 H new ATOM 0 HE3 LYS A 40 11.397 -17.632 -14.769 1.00 62.12 H new ATOM 0 HZ1 LYS A 40 9.848 -19.334 -15.480 1.00 0.43 H new ATOM 0 HZ2 LYS A 40 10.402 -19.674 -13.911 1.00 0.43 H new ATOM 0 HZ3 LYS A 40 8.846 -19.035 -14.142 1.00 0.43 H new ATOM 577 N VAL A 41 13.351 -15.196 -9.871 1.00 11.12 N ATOM 578 CA VAL A 41 13.343 -13.783 -9.510 1.00 25.33 C ATOM 579 C VAL A 41 13.220 -12.901 -10.746 1.00 52.45 C ATOM 580 O VAL A 41 13.835 -13.169 -11.779 1.00 13.02 O ATOM 581 CB VAL A 41 14.620 -13.394 -8.740 1.00 74.11 C ATOM 582 CG1 VAL A 41 14.452 -12.033 -8.081 1.00 71.42 C ATOM 583 CG2 VAL A 41 14.964 -14.457 -7.708 1.00 14.14 C ATOM 0 H VAL A 41 14.093 -15.462 -10.518 1.00 11.12 H new ATOM 0 HA VAL A 41 12.477 -13.625 -8.867 1.00 25.33 H new ATOM 0 HB VAL A 41 15.446 -13.328 -9.449 1.00 74.11 H new ATOM 0 HG11 VAL A 41 15.363 -11.775 -7.542 1.00 71.42 H new ATOM 0 HG12 VAL A 41 14.257 -11.280 -8.845 1.00 71.42 H new ATOM 0 HG13 VAL A 41 13.615 -12.067 -7.383 1.00 71.42 H new ATOM 0 HG21 VAL A 41 15.868 -14.166 -7.174 1.00 14.14 H new ATOM 0 HG22 VAL A 41 14.141 -14.557 -7.001 1.00 14.14 H new ATOM 0 HG23 VAL A 41 15.130 -15.411 -8.209 1.00 14.14 H new ATOM 593 N LYS A 42 12.421 -11.845 -10.636 1.00 13.15 N ATOM 594 CA LYS A 42 12.216 -10.919 -11.744 1.00 24.54 C ATOM 595 C LYS A 42 11.876 -9.524 -11.231 1.00 51.32 C ATOM 596 O LYS A 42 11.026 -8.835 -11.795 1.00 73.35 O ATOM 597 CB LYS A 42 11.098 -11.425 -12.658 1.00 23.40 C ATOM 598 CG LYS A 42 11.557 -12.474 -13.656 1.00 72.51 C ATOM 599 CD LYS A 42 11.125 -12.125 -15.070 1.00 41.24 C ATOM 600 CE LYS A 42 11.785 -10.842 -15.553 1.00 74.14 C ATOM 601 NZ LYS A 42 12.785 -11.102 -16.625 1.00 62.31 N ATOM 0 H LYS A 42 11.904 -11.609 -9.789 1.00 13.15 H new ATOM 0 HA LYS A 42 13.144 -10.861 -12.313 1.00 24.54 H new ATOM 0 HB2 LYS A 42 10.300 -11.844 -12.045 1.00 23.40 H new ATOM 0 HB3 LYS A 42 10.673 -10.580 -13.201 1.00 23.40 H new ATOM 0 HG2 LYS A 42 12.643 -12.563 -13.618 1.00 72.51 H new ATOM 0 HG3 LYS A 42 11.147 -13.445 -13.379 1.00 72.51 H new ATOM 0 HD2 LYS A 42 11.382 -12.943 -15.743 1.00 41.24 H new ATOM 0 HD3 LYS A 42 10.041 -12.013 -15.104 1.00 41.24 H new ATOM 0 HE2 LYS A 42 11.022 -10.159 -15.926 1.00 74.14 H new ATOM 0 HE3 LYS A 42 12.273 -10.346 -14.714 1.00 74.14 H new ATOM 0 HZ1 LYS A 42 13.212 -10.203 -16.927 1.00 62.31 H new ATOM 0 HZ2 LYS A 42 13.527 -11.733 -16.262 1.00 62.31 H new ATOM 0 HZ3 LYS A 42 12.315 -11.552 -17.436 1.00 62.31 H new ATOM 615 N SER A 43 12.546 -9.112 -10.160 1.00 10.14 N ATOM 616 CA SER A 43 12.312 -7.799 -9.570 1.00 44.21 C ATOM 617 C SER A 43 13.201 -7.586 -8.348 1.00 40.03 C ATOM 618 O SER A 43 13.068 -8.280 -7.341 1.00 71.24 O ATOM 619 CB SER A 43 10.841 -7.647 -9.178 1.00 5.13 C ATOM 620 OG SER A 43 10.667 -6.588 -8.253 1.00 2.44 O ATOM 0 H SER A 43 13.255 -9.668 -9.683 1.00 10.14 H new ATOM 0 HA SER A 43 12.562 -7.044 -10.315 1.00 44.21 H new ATOM 0 HB2 SER A 43 10.242 -7.458 -10.069 1.00 5.13 H new ATOM 0 HB3 SER A 43 10.479 -8.578 -8.742 1.00 5.13 H new ATOM 0 HG SER A 43 9.857 -6.745 -7.725 1.00 2.44 H new ATOM 626 N GLY A 44 14.109 -6.620 -8.446 1.00 0.53 N ATOM 627 CA GLY A 44 15.007 -6.332 -7.343 1.00 1.54 C ATOM 628 C GLY A 44 15.721 -7.570 -6.838 1.00 1.31 C ATOM 629 O GLY A 44 15.915 -8.532 -7.582 1.00 55.31 O ATOM 0 H GLY A 44 14.239 -6.032 -9.269 1.00 0.53 H new ATOM 0 HA2 GLY A 44 15.745 -5.596 -7.662 1.00 1.54 H new ATOM 0 HA3 GLY A 44 14.442 -5.884 -6.526 1.00 1.54 H new ATOM 633 N THR A 45 16.116 -7.547 -5.569 1.00 23.13 N ATOM 634 CA THR A 45 16.816 -8.675 -4.966 1.00 13.32 C ATOM 635 C THR A 45 16.304 -8.949 -3.556 1.00 42.12 C ATOM 636 O THR A 45 15.731 -8.070 -2.912 1.00 62.21 O ATOM 637 CB THR A 45 18.335 -8.428 -4.909 1.00 61.35 C ATOM 638 OG1 THR A 45 18.605 -7.176 -4.270 1.00 50.32 O ATOM 639 CG2 THR A 45 18.936 -8.430 -6.307 1.00 52.01 C ATOM 0 H THR A 45 15.963 -6.760 -4.939 1.00 23.13 H new ATOM 0 HA THR A 45 16.620 -9.542 -5.596 1.00 13.32 H new ATOM 0 HB THR A 45 18.790 -9.234 -4.333 1.00 61.35 H new ATOM 0 HG1 THR A 45 19.573 -7.028 -4.237 1.00 50.32 H new ATOM 0 HG21 THR A 45 20.010 -8.254 -6.242 1.00 52.01 H new ATOM 0 HG22 THR A 45 18.755 -9.395 -6.780 1.00 52.01 H new ATOM 0 HG23 THR A 45 18.475 -7.642 -6.903 1.00 52.01 H new ATOM 647 N TRP A 46 16.515 -10.172 -3.083 1.00 4.40 N ATOM 648 CA TRP A 46 16.076 -10.561 -1.748 1.00 14.32 C ATOM 649 C TRP A 46 17.239 -11.112 -0.931 1.00 12.03 C ATOM 650 O TRP A 46 18.327 -11.341 -1.459 1.00 51.11 O ATOM 651 CB TRP A 46 14.961 -11.604 -1.840 1.00 31.04 C ATOM 652 CG TRP A 46 14.053 -11.402 -3.015 1.00 2.30 C ATOM 653 CD1 TRP A 46 13.503 -10.224 -3.432 1.00 53.41 C ATOM 654 CD2 TRP A 46 13.590 -12.407 -3.923 1.00 34.23 C ATOM 655 NE1 TRP A 46 12.725 -10.436 -4.545 1.00 33.14 N ATOM 656 CE2 TRP A 46 12.762 -11.767 -4.866 1.00 61.11 C ATOM 657 CE3 TRP A 46 13.794 -13.785 -4.032 1.00 23.23 C ATOM 658 CZ2 TRP A 46 12.141 -12.460 -5.902 1.00 13.42 C ATOM 659 CZ3 TRP A 46 13.177 -14.471 -5.060 1.00 74.11 C ATOM 660 CH2 TRP A 46 12.359 -13.808 -5.985 1.00 35.05 C ATOM 0 H TRP A 46 16.987 -10.911 -3.604 1.00 4.40 H new ATOM 0 HA TRP A 46 15.693 -9.673 -1.245 1.00 14.32 H new ATOM 0 HB2 TRP A 46 15.406 -12.597 -1.901 1.00 31.04 H new ATOM 0 HB3 TRP A 46 14.370 -11.575 -0.924 1.00 31.04 H new ATOM 0 HD1 TRP A 46 13.657 -9.266 -2.957 1.00 53.41 H new ATOM 0 HE1 TRP A 46 12.205 -9.719 -5.050 1.00 33.14 H new ATOM 0 HE3 TRP A 46 14.423 -14.305 -3.325 1.00 23.23 H new ATOM 0 HZ2 TRP A 46 11.509 -11.951 -6.615 1.00 13.42 H new ATOM 0 HZ3 TRP A 46 13.328 -15.536 -5.153 1.00 74.11 H new ATOM 0 HH2 TRP A 46 11.892 -14.372 -6.779 1.00 35.05 H new ATOM 671 N ARG A 47 17.002 -11.323 0.360 1.00 61.11 N ATOM 672 CA ARG A 47 18.031 -11.847 1.250 1.00 44.13 C ATOM 673 C ARG A 47 17.640 -13.221 1.784 1.00 30.43 C ATOM 674 O ARG A 47 16.556 -13.397 2.342 1.00 4.30 O ATOM 675 CB ARG A 47 18.268 -10.883 2.414 1.00 34.32 C ATOM 676 CG ARG A 47 18.794 -9.524 1.983 1.00 65.40 C ATOM 677 CD ARG A 47 17.689 -8.481 1.958 1.00 51.44 C ATOM 678 NE ARG A 47 17.235 -8.131 3.301 1.00 23.01 N ATOM 679 CZ ARG A 47 17.899 -7.314 4.111 1.00 31.04 C ATOM 680 NH1 ARG A 47 19.039 -6.765 3.716 1.00 22.02 N ATOM 681 NH2 ARG A 47 17.422 -7.044 5.320 1.00 73.32 N ATOM 0 H ARG A 47 16.107 -11.139 0.813 1.00 61.11 H new ATOM 0 HA ARG A 47 18.953 -11.948 0.678 1.00 44.13 H new ATOM 0 HB2 ARG A 47 17.333 -10.746 2.957 1.00 34.32 H new ATOM 0 HB3 ARG A 47 18.977 -11.333 3.109 1.00 34.32 H new ATOM 0 HG2 ARG A 47 19.582 -9.205 2.665 1.00 65.40 H new ATOM 0 HG3 ARG A 47 19.243 -9.604 0.993 1.00 65.40 H new ATOM 0 HD2 ARG A 47 18.048 -7.585 1.452 1.00 51.44 H new ATOM 0 HD3 ARG A 47 16.847 -8.859 1.378 1.00 51.44 H new ATOM 0 HE ARG A 47 16.361 -8.536 3.635 1.00 23.01 H new ATOM 0 HH11 ARG A 47 19.409 -6.969 2.788 1.00 22.02 H new ATOM 0 HH12 ARG A 47 19.546 -6.138 4.340 1.00 22.02 H new ATOM 0 HH21 ARG A 47 16.545 -7.464 5.628 1.00 73.32 H new ATOM 0 HH22 ARG A 47 17.933 -6.417 5.941 1.00 73.32 H new ATOM 695 N PHE A 48 18.529 -14.194 1.610 1.00 51.34 N ATOM 696 CA PHE A 48 18.276 -15.553 2.073 1.00 70.12 C ATOM 697 C PHE A 48 19.211 -15.919 3.222 1.00 41.13 C ATOM 698 O PHE A 48 20.430 -15.785 3.111 1.00 0.44 O ATOM 699 CB PHE A 48 18.450 -16.547 0.923 1.00 72.14 C ATOM 700 CG PHE A 48 17.154 -16.954 0.281 1.00 41.32 C ATOM 701 CD1 PHE A 48 16.358 -17.931 0.856 1.00 54.12 C ATOM 702 CD2 PHE A 48 16.732 -16.358 -0.897 1.00 64.41 C ATOM 703 CE1 PHE A 48 15.165 -18.307 0.267 1.00 64.32 C ATOM 704 CE2 PHE A 48 15.541 -16.730 -1.491 1.00 32.54 C ATOM 705 CZ PHE A 48 14.756 -17.706 -0.907 1.00 52.41 C ATOM 0 H PHE A 48 19.431 -14.066 1.152 1.00 51.34 H new ATOM 0 HA PHE A 48 17.249 -15.602 2.434 1.00 70.12 H new ATOM 0 HB2 PHE A 48 19.098 -16.105 0.166 1.00 72.14 H new ATOM 0 HB3 PHE A 48 18.957 -17.437 1.296 1.00 72.14 H new ATOM 0 HD1 PHE A 48 16.673 -18.404 1.774 1.00 54.12 H new ATOM 0 HD2 PHE A 48 17.341 -15.594 -1.356 1.00 64.41 H new ATOM 0 HE1 PHE A 48 14.553 -19.070 0.725 1.00 64.32 H new ATOM 0 HE2 PHE A 48 15.224 -16.259 -2.410 1.00 32.54 H new ATOM 0 HZ PHE A 48 13.824 -17.998 -1.368 1.00 52.41 H new ATOM 715 N TYR A 49 18.631 -16.381 4.324 1.00 63.11 N ATOM 716 CA TYR A 49 19.411 -16.764 5.495 1.00 43.31 C ATOM 717 C TYR A 49 18.846 -18.027 6.137 1.00 11.22 C ATOM 718 O TYR A 49 17.632 -18.176 6.274 1.00 61.24 O ATOM 719 CB TYR A 49 19.431 -15.624 6.515 1.00 30.21 C ATOM 720 CG TYR A 49 18.292 -14.644 6.350 1.00 34.01 C ATOM 721 CD1 TYR A 49 18.415 -13.539 5.517 1.00 11.34 C ATOM 722 CD2 TYR A 49 17.091 -14.824 7.026 1.00 22.04 C ATOM 723 CE1 TYR A 49 17.377 -12.640 5.364 1.00 33.35 C ATOM 724 CE2 TYR A 49 16.047 -13.932 6.878 1.00 1.54 C ATOM 725 CZ TYR A 49 16.195 -12.841 6.047 1.00 71.13 C ATOM 726 OH TYR A 49 15.158 -11.949 5.896 1.00 71.21 O ATOM 0 H TYR A 49 17.624 -16.499 4.431 1.00 63.11 H new ATOM 0 HA TYR A 49 20.431 -16.970 5.170 1.00 43.31 H new ATOM 0 HB2 TYR A 49 19.394 -16.046 7.519 1.00 30.21 H new ATOM 0 HB3 TYR A 49 20.376 -15.088 6.429 1.00 30.21 H new ATOM 0 HD1 TYR A 49 19.338 -13.380 4.980 1.00 11.34 H new ATOM 0 HD2 TYR A 49 16.972 -15.676 7.678 1.00 22.04 H new ATOM 0 HE1 TYR A 49 17.490 -11.785 4.714 1.00 33.35 H new ATOM 0 HE2 TYR A 49 15.120 -14.088 7.410 1.00 1.54 H new ATOM 0 HH TYR A 49 14.935 -11.556 6.766 1.00 71.21 H new ATOM 736 N GLU A 50 19.736 -18.932 6.530 1.00 21.42 N ATOM 737 CA GLU A 50 19.326 -20.183 7.158 1.00 23.02 C ATOM 738 C GLU A 50 19.752 -20.221 8.623 1.00 23.40 C ATOM 739 O GLU A 50 20.831 -20.713 8.954 1.00 24.23 O ATOM 740 CB GLU A 50 19.926 -21.376 6.410 1.00 54.40 C ATOM 741 CG GLU A 50 21.342 -21.135 5.916 1.00 4.14 C ATOM 742 CD GLU A 50 22.073 -22.423 5.590 1.00 3.25 C ATOM 743 OE1 GLU A 50 22.284 -23.235 6.516 1.00 60.04 O ATOM 744 OE2 GLU A 50 22.435 -22.619 4.411 1.00 13.44 O ATOM 0 H GLU A 50 20.745 -18.823 6.425 1.00 21.42 H new ATOM 0 HA GLU A 50 18.239 -20.244 7.112 1.00 23.02 H new ATOM 0 HB2 GLU A 50 19.923 -22.245 7.068 1.00 54.40 H new ATOM 0 HB3 GLU A 50 19.289 -21.618 5.559 1.00 54.40 H new ATOM 0 HG2 GLU A 50 21.310 -20.505 5.027 1.00 4.14 H new ATOM 0 HG3 GLU A 50 21.900 -20.587 6.676 1.00 4.14 H new ATOM 751 N TYR A 51 18.898 -19.699 9.495 1.00 14.23 N ATOM 752 CA TYR A 51 19.186 -19.670 10.924 1.00 33.03 C ATOM 753 C TYR A 51 18.164 -18.816 11.669 1.00 41.01 C ATOM 754 O TYR A 51 17.165 -18.382 11.095 1.00 71.33 O ATOM 755 CB TYR A 51 20.595 -19.130 11.171 1.00 43.21 C ATOM 756 CG TYR A 51 21.537 -20.148 11.773 1.00 1.34 C ATOM 757 CD1 TYR A 51 21.250 -20.754 12.990 1.00 24.20 C ATOM 758 CD2 TYR A 51 22.714 -20.504 11.125 1.00 15.31 C ATOM 759 CE1 TYR A 51 22.109 -21.684 13.544 1.00 35.13 C ATOM 760 CE2 TYR A 51 23.577 -21.434 11.671 1.00 12.23 C ATOM 761 CZ TYR A 51 23.270 -22.021 12.881 1.00 2.32 C ATOM 762 OH TYR A 51 24.127 -22.948 13.429 1.00 12.34 O ATOM 0 H TYR A 51 18.000 -19.290 9.238 1.00 14.23 H new ATOM 0 HA TYR A 51 19.124 -20.691 11.302 1.00 33.03 H new ATOM 0 HB2 TYR A 51 21.010 -18.777 10.227 1.00 43.21 H new ATOM 0 HB3 TYR A 51 20.533 -18.268 11.835 1.00 43.21 H new ATOM 0 HD1 TYR A 51 20.341 -20.494 13.512 1.00 24.20 H new ATOM 0 HD2 TYR A 51 22.958 -20.045 10.178 1.00 15.31 H new ATOM 0 HE1 TYR A 51 21.872 -22.145 14.492 1.00 35.13 H new ATOM 0 HE2 TYR A 51 24.487 -21.700 11.154 1.00 12.23 H new ATOM 0 HH TYR A 51 24.897 -23.073 12.836 1.00 12.34 H new ATOM 772 N ILE A 52 18.423 -18.578 12.950 1.00 21.43 N ATOM 773 CA ILE A 52 17.528 -17.775 13.774 1.00 61.12 C ATOM 774 C ILE A 52 17.284 -16.407 13.147 1.00 51.34 C ATOM 775 O ILE A 52 17.892 -16.059 12.136 1.00 40.25 O ATOM 776 CB ILE A 52 18.091 -17.583 15.195 1.00 51.05 C ATOM 777 CG1 ILE A 52 19.487 -16.960 15.134 1.00 41.04 C ATOM 778 CG2 ILE A 52 18.130 -18.913 15.933 1.00 50.40 C ATOM 779 CD1 ILE A 52 20.112 -16.744 16.494 1.00 1.41 C ATOM 0 H ILE A 52 19.245 -18.930 13.440 1.00 21.43 H new ATOM 0 HA ILE A 52 16.585 -18.317 13.836 1.00 61.12 H new ATOM 0 HB ILE A 52 17.435 -16.905 15.742 1.00 51.05 H new ATOM 0 HG12 ILE A 52 20.138 -17.604 14.542 1.00 41.04 H new ATOM 0 HG13 ILE A 52 19.427 -16.004 14.615 1.00 41.04 H new ATOM 0 HG21 ILE A 52 18.530 -18.761 16.935 1.00 50.40 H new ATOM 0 HG22 ILE A 52 17.121 -19.320 16.003 1.00 50.40 H new ATOM 0 HG23 ILE A 52 18.767 -19.612 15.390 1.00 50.40 H new ATOM 0 HD11 ILE A 52 21.100 -16.300 16.374 1.00 1.41 H new ATOM 0 HD12 ILE A 52 19.483 -16.076 17.082 1.00 1.41 H new ATOM 0 HD13 ILE A 52 20.205 -17.701 17.008 1.00 1.41 H new ATOM 791 N ASN A 53 16.390 -15.634 13.755 1.00 3.24 N ATOM 792 CA ASN A 53 16.066 -14.302 13.257 1.00 2.04 C ATOM 793 C ASN A 53 17.015 -13.258 13.839 1.00 71.05 C ATOM 794 O ASN A 53 16.607 -12.139 14.151 1.00 44.02 O ATOM 795 CB ASN A 53 14.620 -13.943 13.605 1.00 41.21 C ATOM 796 CG ASN A 53 13.617 -14.835 12.899 1.00 42.32 C ATOM 797 OD1 ASN A 53 13.874 -15.329 11.801 1.00 24.22 O ATOM 798 ND2 ASN A 53 12.466 -15.044 13.527 1.00 3.05 N ATOM 0 H ASN A 53 15.877 -15.907 14.593 1.00 3.24 H new ATOM 0 HA ASN A 53 16.181 -14.308 12.173 1.00 2.04 H new ATOM 0 HB2 ASN A 53 14.478 -14.023 14.683 1.00 41.21 H new ATOM 0 HB3 ASN A 53 14.431 -12.904 13.335 1.00 41.21 H new ATOM 0 HD21 ASN A 53 11.752 -15.634 13.100 1.00 3.05 H new ATOM 0 HD22 ASN A 53 12.296 -14.614 14.436 1.00 3.05 H new ATOM 805 N TYR A 54 18.282 -13.632 13.980 1.00 13.22 N ATOM 806 CA TYR A 54 19.289 -12.729 14.525 1.00 34.13 C ATOM 807 C TYR A 54 20.673 -13.062 13.977 1.00 53.34 C ATOM 808 O TYR A 54 21.690 -12.665 14.544 1.00 53.22 O ATOM 809 CB TYR A 54 19.301 -12.808 16.053 1.00 52.31 C ATOM 810 CG TYR A 54 17.942 -12.594 16.681 1.00 3.11 C ATOM 811 CD1 TYR A 54 17.085 -13.663 16.910 1.00 70.32 C ATOM 812 CD2 TYR A 54 17.515 -11.323 17.045 1.00 4.21 C ATOM 813 CE1 TYR A 54 15.842 -13.473 17.483 1.00 44.21 C ATOM 814 CE2 TYR A 54 16.275 -11.123 17.620 1.00 24.21 C ATOM 815 CZ TYR A 54 15.442 -12.201 17.837 1.00 65.13 C ATOM 816 OH TYR A 54 14.206 -12.006 18.408 1.00 72.11 O ATOM 0 H TYR A 54 18.636 -14.554 13.725 1.00 13.22 H new ATOM 0 HA TYR A 54 19.033 -11.714 14.222 1.00 34.13 H new ATOM 0 HB2 TYR A 54 19.682 -13.784 16.355 1.00 52.31 H new ATOM 0 HB3 TYR A 54 19.993 -12.061 16.442 1.00 52.31 H new ATOM 0 HD1 TYR A 54 17.396 -14.660 16.635 1.00 70.32 H new ATOM 0 HD2 TYR A 54 18.164 -10.477 16.875 1.00 4.21 H new ATOM 0 HE1 TYR A 54 15.188 -14.315 17.653 1.00 44.21 H new ATOM 0 HE2 TYR A 54 15.959 -10.128 17.898 1.00 24.21 H new ATOM 0 HH TYR A 54 14.080 -11.053 18.598 1.00 72.11 H new ATOM 826 N GLY A 55 20.702 -13.794 12.867 1.00 42.41 N ATOM 827 CA GLY A 55 21.965 -14.168 12.258 1.00 4.43 C ATOM 828 C GLY A 55 21.796 -15.191 11.153 1.00 50.10 C ATOM 829 O GLY A 55 20.735 -15.279 10.536 1.00 43.41 O ATOM 0 H GLY A 55 19.873 -14.134 12.379 1.00 42.41 H new ATOM 0 HA2 GLY A 55 22.448 -13.278 11.854 1.00 4.43 H new ATOM 0 HA3 GLY A 55 22.629 -14.571 13.023 1.00 4.43 H new ATOM 833 N GLY A 56 22.846 -15.967 10.901 1.00 51.13 N ATOM 834 CA GLY A 56 22.789 -16.978 9.861 1.00 55.42 C ATOM 835 C GLY A 56 23.596 -16.596 8.636 1.00 52.30 C ATOM 836 O GLY A 56 24.193 -15.520 8.589 1.00 61.24 O ATOM 0 H GLY A 56 23.735 -15.914 11.398 1.00 51.13 H new ATOM 0 HA2 GLY A 56 23.161 -17.923 10.257 1.00 55.42 H new ATOM 0 HA3 GLY A 56 21.750 -17.140 9.572 1.00 55.42 H new ATOM 840 N ARG A 57 23.615 -17.479 7.643 1.00 5.02 N ATOM 841 CA ARG A 57 24.358 -17.230 6.414 1.00 41.14 C ATOM 842 C ARG A 57 23.622 -16.230 5.527 1.00 51.21 C ATOM 843 O ARG A 57 22.636 -16.572 4.874 1.00 35.02 O ATOM 844 CB ARG A 57 24.578 -18.538 5.652 1.00 61.04 C ATOM 845 CG ARG A 57 25.178 -18.344 4.269 1.00 52.25 C ATOM 846 CD ARG A 57 24.171 -18.665 3.175 1.00 43.12 C ATOM 847 NE ARG A 57 24.823 -19.091 1.939 1.00 31.33 N ATOM 848 CZ ARG A 57 25.456 -20.252 1.805 1.00 54.42 C ATOM 849 NH1 ARG A 57 25.521 -21.097 2.824 1.00 1.22 N ATOM 850 NH2 ARG A 57 26.024 -20.569 0.648 1.00 10.54 N ATOM 0 H ARG A 57 23.124 -18.373 7.666 1.00 5.02 H new ATOM 0 HA ARG A 57 25.326 -16.807 6.684 1.00 41.14 H new ATOM 0 HB2 ARG A 57 25.234 -19.183 6.236 1.00 61.04 H new ATOM 0 HB3 ARG A 57 23.624 -19.057 5.555 1.00 61.04 H new ATOM 0 HG2 ARG A 57 25.519 -17.315 4.160 1.00 52.25 H new ATOM 0 HG3 ARG A 57 26.054 -18.983 4.158 1.00 52.25 H new ATOM 0 HD2 ARG A 57 23.499 -19.451 3.520 1.00 43.12 H new ATOM 0 HD3 ARG A 57 23.558 -17.786 2.977 1.00 43.12 H new ATOM 0 HE ARG A 57 24.791 -18.464 1.135 1.00 31.33 H new ATOM 0 HH11 ARG A 57 25.085 -20.857 3.714 1.00 1.22 H new ATOM 0 HH12 ARG A 57 26.007 -21.987 2.718 1.00 1.22 H new ATOM 0 HH21 ARG A 57 25.975 -19.922 -0.139 1.00 10.54 H new ATOM 0 HH22 ARG A 57 26.510 -21.460 0.546 1.00 10.54 H new ATOM 864 N TYR A 58 24.107 -14.994 5.509 1.00 4.41 N ATOM 865 CA TYR A 58 23.494 -13.943 4.705 1.00 21.03 C ATOM 866 C TYR A 58 23.859 -14.101 3.232 1.00 4.44 C ATOM 867 O TYR A 58 25.008 -13.893 2.841 1.00 52.12 O ATOM 868 CB TYR A 58 23.933 -12.566 5.207 1.00 61.33 C ATOM 869 CG TYR A 58 23.661 -11.449 4.225 1.00 70.23 C ATOM 870 CD1 TYR A 58 22.452 -11.375 3.544 1.00 62.02 C ATOM 871 CD2 TYR A 58 24.613 -10.467 3.979 1.00 53.02 C ATOM 872 CE1 TYR A 58 22.200 -10.357 2.645 1.00 12.43 C ATOM 873 CE2 TYR A 58 24.368 -9.444 3.083 1.00 3.00 C ATOM 874 CZ TYR A 58 23.161 -9.393 2.418 1.00 33.45 C ATOM 875 OH TYR A 58 22.913 -8.376 1.525 1.00 35.53 O ATOM 0 H TYR A 58 24.923 -14.695 6.042 1.00 4.41 H new ATOM 0 HA TYR A 58 22.412 -14.030 4.803 1.00 21.03 H new ATOM 0 HB2 TYR A 58 23.419 -12.349 6.143 1.00 61.33 H new ATOM 0 HB3 TYR A 58 25.000 -12.592 5.428 1.00 61.33 H new ATOM 0 HD1 TYR A 58 21.696 -12.126 3.721 1.00 62.02 H new ATOM 0 HD2 TYR A 58 25.560 -10.504 4.497 1.00 53.02 H new ATOM 0 HE1 TYR A 58 21.256 -10.316 2.122 1.00 12.43 H new ATOM 0 HE2 TYR A 58 25.118 -8.688 2.904 1.00 3.00 H new ATOM 0 HH TYR A 58 23.171 -8.662 0.624 1.00 35.53 H new ATOM 885 N TRP A 59 22.874 -14.468 2.422 1.00 70.33 N ATOM 886 CA TRP A 59 23.090 -14.653 0.991 1.00 22.52 C ATOM 887 C TRP A 59 21.934 -14.070 0.186 1.00 65.01 C ATOM 888 O TRP A 59 20.846 -14.643 0.140 1.00 31.34 O ATOM 889 CB TRP A 59 23.255 -16.139 0.668 1.00 73.35 C ATOM 890 CG TRP A 59 22.829 -16.495 -0.725 1.00 44.51 C ATOM 891 CD1 TRP A 59 23.379 -16.042 -1.890 1.00 64.34 C ATOM 892 CD2 TRP A 59 21.763 -17.375 -1.097 1.00 44.23 C ATOM 893 NE1 TRP A 59 22.719 -16.588 -2.965 1.00 24.42 N ATOM 894 CE2 TRP A 59 21.724 -17.410 -2.505 1.00 5.00 C ATOM 895 CE3 TRP A 59 20.839 -18.138 -0.379 1.00 24.22 C ATOM 896 CZ2 TRP A 59 20.797 -18.177 -3.205 1.00 22.53 C ATOM 897 CZ3 TRP A 59 19.920 -18.899 -1.075 1.00 35.12 C ATOM 898 CH2 TRP A 59 19.904 -18.915 -2.476 1.00 2.02 C ATOM 0 H TRP A 59 21.918 -14.644 2.731 1.00 70.33 H new ATOM 0 HA TRP A 59 24.003 -14.125 0.715 1.00 22.52 H new ATOM 0 HB2 TRP A 59 24.300 -16.419 0.804 1.00 73.35 H new ATOM 0 HB3 TRP A 59 22.673 -16.725 1.379 1.00 73.35 H new ATOM 0 HD1 TRP A 59 24.210 -15.356 -1.957 1.00 64.34 H new ATOM 0 HE1 TRP A 59 22.935 -16.410 -3.946 1.00 24.42 H new ATOM 0 HE3 TRP A 59 20.843 -18.133 0.701 1.00 24.22 H new ATOM 0 HZ2 TRP A 59 20.783 -18.189 -4.285 1.00 22.53 H new ATOM 0 HZ3 TRP A 59 19.201 -19.492 -0.530 1.00 35.12 H new ATOM 0 HH2 TRP A 59 19.173 -19.521 -2.990 1.00 2.02 H new ATOM 909 N ASP A 60 22.178 -12.928 -0.448 1.00 32.13 N ATOM 910 CA ASP A 60 21.157 -12.268 -1.253 1.00 13.12 C ATOM 911 C ASP A 60 21.216 -12.742 -2.702 1.00 22.15 C ATOM 912 O ASP A 60 22.291 -12.816 -3.298 1.00 43.12 O ATOM 913 CB ASP A 60 21.332 -10.750 -1.192 1.00 41.35 C ATOM 914 CG ASP A 60 22.780 -10.328 -1.343 1.00 44.24 C ATOM 915 OD1 ASP A 60 23.554 -10.507 -0.380 1.00 4.34 O ATOM 916 OD2 ASP A 60 23.140 -9.819 -2.426 1.00 21.44 O ATOM 0 H ASP A 60 23.074 -12.441 -0.420 1.00 32.13 H new ATOM 0 HA ASP A 60 20.181 -12.530 -0.844 1.00 13.12 H new ATOM 0 HB2 ASP A 60 20.738 -10.287 -1.979 1.00 41.35 H new ATOM 0 HB3 ASP A 60 20.946 -10.381 -0.242 1.00 41.35 H new ATOM 921 N LEU A 61 20.055 -13.063 -3.262 1.00 23.45 N ATOM 922 CA LEU A 61 19.975 -13.532 -4.641 1.00 13.13 C ATOM 923 C LEU A 61 19.569 -12.399 -5.578 1.00 13.02 C ATOM 924 O LEU A 61 19.092 -11.355 -5.136 1.00 2.53 O ATOM 925 CB LEU A 61 18.974 -14.684 -4.751 1.00 43.22 C ATOM 926 CG LEU A 61 17.548 -14.299 -5.145 1.00 40.45 C ATOM 927 CD1 LEU A 61 16.676 -15.538 -5.274 1.00 24.21 C ATOM 928 CD2 LEU A 61 16.957 -13.331 -4.130 1.00 72.51 C ATOM 0 H LEU A 61 19.156 -13.007 -2.783 1.00 23.45 H new ATOM 0 HA LEU A 61 20.962 -13.887 -4.937 1.00 13.13 H new ATOM 0 HB2 LEU A 61 19.351 -15.398 -5.483 1.00 43.22 H new ATOM 0 HB3 LEU A 61 18.938 -15.200 -3.792 1.00 43.22 H new ATOM 0 HG LEU A 61 17.581 -13.802 -6.114 1.00 40.45 H new ATOM 0 HD11 LEU A 61 15.665 -15.244 -5.555 1.00 24.21 H new ATOM 0 HD12 LEU A 61 17.089 -16.195 -6.040 1.00 24.21 H new ATOM 0 HD13 LEU A 61 16.649 -16.065 -4.320 1.00 24.21 H new ATOM 0 HD21 LEU A 61 15.942 -13.068 -4.427 1.00 72.51 H new ATOM 0 HD22 LEU A 61 16.937 -13.802 -3.147 1.00 72.51 H new ATOM 0 HD23 LEU A 61 17.568 -12.429 -4.089 1.00 72.51 H new ATOM 940 N GLY A 62 19.759 -12.614 -6.876 1.00 61.51 N ATOM 941 CA GLY A 62 19.406 -11.604 -7.855 1.00 54.45 C ATOM 942 C GLY A 62 18.533 -12.153 -8.967 1.00 30.05 C ATOM 943 O GLY A 62 17.987 -13.252 -8.870 1.00 70.32 O ATOM 0 H GLY A 62 20.151 -13.471 -7.267 1.00 61.51 H new ATOM 0 HA2 GLY A 62 18.884 -10.787 -7.357 1.00 54.45 H new ATOM 0 HA3 GLY A 62 20.316 -11.186 -8.285 1.00 54.45 H new ATOM 947 N PRO A 63 18.391 -11.377 -10.051 1.00 55.21 N ATOM 948 CA PRO A 63 17.578 -11.771 -11.206 1.00 32.14 C ATOM 949 C PRO A 63 18.067 -13.067 -11.843 1.00 50.15 C ATOM 950 O PRO A 63 19.194 -13.143 -12.332 1.00 34.12 O ATOM 951 CB PRO A 63 17.748 -10.600 -12.176 1.00 42.31 C ATOM 952 CG PRO A 63 18.183 -9.460 -11.321 1.00 53.42 C ATOM 953 CD PRO A 63 19.012 -10.055 -10.234 1.00 44.41 C ATOM 0 HA PRO A 63 16.542 -11.964 -10.929 1.00 32.14 H new ATOM 0 HB2 PRO A 63 18.489 -10.825 -12.943 1.00 42.31 H new ATOM 0 HB3 PRO A 63 16.815 -10.374 -12.692 1.00 42.31 H new ATOM 0 HG2 PRO A 63 18.758 -8.736 -11.899 1.00 53.42 H new ATOM 0 HG3 PRO A 63 17.324 -8.930 -10.911 1.00 53.42 H new ATOM 0 HD2 PRO A 63 20.061 -10.135 -10.520 1.00 44.41 H new ATOM 0 HD3 PRO A 63 18.975 -9.459 -9.322 1.00 44.41 H new ATOM 961 N GLY A 64 17.212 -14.085 -11.836 1.00 15.20 N ATOM 962 CA GLY A 64 17.575 -15.364 -12.417 1.00 44.22 C ATOM 963 C GLY A 64 16.779 -16.514 -11.833 1.00 1.30 C ATOM 964 O GLY A 64 16.271 -16.420 -10.716 1.00 61.32 O ATOM 0 H GLY A 64 16.274 -14.047 -11.438 1.00 15.20 H new ATOM 0 HA2 GLY A 64 17.417 -15.328 -13.495 1.00 44.22 H new ATOM 0 HA3 GLY A 64 18.638 -15.544 -12.256 1.00 44.22 H new ATOM 968 N GLU A 65 16.669 -17.600 -12.591 1.00 33.53 N ATOM 969 CA GLU A 65 15.926 -18.772 -12.141 1.00 52.13 C ATOM 970 C GLU A 65 16.842 -19.988 -12.031 1.00 55.32 C ATOM 971 O GLU A 65 17.701 -20.210 -12.884 1.00 61.21 O ATOM 972 CB GLU A 65 14.774 -19.073 -13.103 1.00 0.33 C ATOM 973 CG GLU A 65 14.022 -20.351 -12.771 1.00 0.43 C ATOM 974 CD GLU A 65 14.393 -21.500 -13.687 1.00 73.41 C ATOM 975 OE1 GLU A 65 13.877 -21.544 -14.824 1.00 21.25 O ATOM 976 OE2 GLU A 65 15.199 -22.357 -13.267 1.00 42.42 O ATOM 0 H GLU A 65 17.084 -17.693 -13.518 1.00 33.53 H new ATOM 0 HA GLU A 65 15.519 -18.555 -11.154 1.00 52.13 H new ATOM 0 HB2 GLU A 65 14.075 -18.237 -13.092 1.00 0.33 H new ATOM 0 HB3 GLU A 65 15.168 -19.146 -14.117 1.00 0.33 H new ATOM 0 HG2 GLU A 65 14.230 -20.633 -11.739 1.00 0.43 H new ATOM 0 HG3 GLU A 65 12.950 -20.166 -12.842 1.00 0.43 H new ATOM 983 N TYR A 66 16.651 -20.770 -10.975 1.00 61.41 N ATOM 984 CA TYR A 66 17.461 -21.962 -10.751 1.00 1.12 C ATOM 985 C TYR A 66 16.762 -22.923 -9.794 1.00 64.53 C ATOM 986 O TYR A 66 15.869 -22.531 -9.044 1.00 54.05 O ATOM 987 CB TYR A 66 18.831 -21.575 -10.192 1.00 3.21 C ATOM 988 CG TYR A 66 18.778 -20.450 -9.183 1.00 40.21 C ATOM 989 CD1 TYR A 66 18.245 -20.651 -7.916 1.00 51.10 C ATOM 990 CD2 TYR A 66 19.262 -19.186 -9.497 1.00 51.42 C ATOM 991 CE1 TYR A 66 18.194 -19.626 -6.992 1.00 14.43 C ATOM 992 CE2 TYR A 66 19.216 -18.155 -8.579 1.00 1.34 C ATOM 993 CZ TYR A 66 18.681 -18.380 -7.328 1.00 14.55 C ATOM 994 OH TYR A 66 18.633 -17.356 -6.409 1.00 55.11 O ATOM 0 H TYR A 66 15.943 -20.601 -10.261 1.00 61.41 H new ATOM 0 HA TYR A 66 17.595 -22.465 -11.709 1.00 1.12 H new ATOM 0 HB2 TYR A 66 19.284 -22.450 -9.725 1.00 3.21 H new ATOM 0 HB3 TYR A 66 19.481 -21.282 -11.017 1.00 3.21 H new ATOM 0 HD1 TYR A 66 17.864 -21.626 -7.649 1.00 51.10 H new ATOM 0 HD2 TYR A 66 19.681 -19.007 -10.476 1.00 51.42 H new ATOM 0 HE1 TYR A 66 17.775 -19.799 -6.012 1.00 14.43 H new ATOM 0 HE2 TYR A 66 19.597 -17.178 -8.839 1.00 1.34 H new ATOM 0 HH TYR A 66 19.365 -17.459 -5.766 1.00 55.11 H new ATOM 1004 N SER A 67 17.178 -24.186 -9.827 1.00 13.34 N ATOM 1005 CA SER A 67 16.591 -25.206 -8.966 1.00 12.24 C ATOM 1006 C SER A 67 17.601 -25.688 -7.929 1.00 33.41 C ATOM 1007 O SER A 67 18.237 -26.727 -8.103 1.00 65.42 O ATOM 1008 CB SER A 67 16.098 -26.388 -9.803 1.00 14.34 C ATOM 1009 OG SER A 67 15.223 -25.955 -10.830 1.00 34.21 O ATOM 0 H SER A 67 17.919 -24.526 -10.440 1.00 13.34 H new ATOM 0 HA SER A 67 15.744 -24.762 -8.443 1.00 12.24 H new ATOM 0 HB2 SER A 67 16.950 -26.908 -10.242 1.00 14.34 H new ATOM 0 HB3 SER A 67 15.584 -27.103 -9.161 1.00 14.34 H new ATOM 0 HG SER A 67 14.641 -26.697 -11.098 1.00 34.21 H new ATOM 1015 N SER A 68 17.742 -24.926 -6.849 1.00 54.24 N ATOM 1016 CA SER A 68 18.676 -25.272 -5.785 1.00 65.33 C ATOM 1017 C SER A 68 18.038 -26.243 -4.796 1.00 42.31 C ATOM 1018 O SER A 68 16.828 -26.215 -4.575 1.00 15.14 O ATOM 1019 CB SER A 68 19.139 -24.011 -5.053 1.00 63.05 C ATOM 1020 OG SER A 68 19.263 -22.919 -5.948 1.00 4.11 O ATOM 0 H SER A 68 17.221 -24.064 -6.688 1.00 54.24 H new ATOM 0 HA SER A 68 19.540 -25.758 -6.238 1.00 65.33 H new ATOM 0 HB2 SER A 68 18.427 -23.761 -4.266 1.00 63.05 H new ATOM 0 HB3 SER A 68 20.097 -24.199 -4.568 1.00 63.05 H new ATOM 0 HG SER A 68 19.558 -22.125 -5.456 1.00 4.11 H new ATOM 1026 N VAL A 69 18.862 -27.101 -4.203 1.00 62.15 N ATOM 1027 CA VAL A 69 18.380 -28.080 -3.237 1.00 22.32 C ATOM 1028 C VAL A 69 19.476 -28.462 -2.248 1.00 1.20 C ATOM 1029 O VAL A 69 19.429 -29.528 -1.636 1.00 33.04 O ATOM 1030 CB VAL A 69 17.868 -29.354 -3.936 1.00 4.14 C ATOM 1031 CG1 VAL A 69 16.521 -29.097 -4.594 1.00 23.42 C ATOM 1032 CG2 VAL A 69 18.884 -29.846 -4.955 1.00 61.43 C ATOM 0 H VAL A 69 19.867 -27.138 -4.375 1.00 62.15 H new ATOM 0 HA VAL A 69 17.555 -27.613 -2.699 1.00 22.32 H new ATOM 0 HB VAL A 69 17.735 -30.132 -3.185 1.00 4.14 H new ATOM 0 HG11 VAL A 69 16.175 -30.008 -5.083 1.00 23.42 H new ATOM 0 HG12 VAL A 69 15.798 -28.794 -3.837 1.00 23.42 H new ATOM 0 HG13 VAL A 69 16.623 -28.304 -5.335 1.00 23.42 H new ATOM 0 HG21 VAL A 69 18.507 -30.747 -5.439 1.00 61.43 H new ATOM 0 HG22 VAL A 69 19.051 -29.073 -5.705 1.00 61.43 H new ATOM 0 HG23 VAL A 69 19.824 -30.072 -4.452 1.00 61.43 H new ATOM 1042 N GLU A 70 20.462 -27.583 -2.097 1.00 51.23 N ATOM 1043 CA GLU A 70 21.570 -27.829 -1.182 1.00 43.52 C ATOM 1044 C GLU A 70 22.358 -26.547 -0.925 1.00 61.13 C ATOM 1045 O GLU A 70 23.552 -26.471 -1.214 1.00 62.35 O ATOM 1046 CB GLU A 70 22.498 -28.906 -1.748 1.00 2.14 C ATOM 1047 CG GLU A 70 22.924 -28.650 -3.184 1.00 31.24 C ATOM 1048 CD GLU A 70 24.352 -29.083 -3.455 1.00 34.13 C ATOM 1049 OE1 GLU A 70 25.280 -28.342 -3.070 1.00 21.32 O ATOM 1050 OE2 GLU A 70 24.540 -30.164 -4.052 1.00 51.30 O ATOM 0 H GLU A 70 20.516 -26.695 -2.596 1.00 51.23 H new ATOM 0 HA GLU A 70 21.156 -28.177 -0.236 1.00 43.52 H new ATOM 0 HB2 GLU A 70 23.387 -28.974 -1.121 1.00 2.14 H new ATOM 0 HB3 GLU A 70 21.995 -29.872 -1.694 1.00 2.14 H new ATOM 0 HG2 GLU A 70 22.253 -29.182 -3.858 1.00 31.24 H new ATOM 0 HG3 GLU A 70 22.822 -27.588 -3.405 1.00 31.24 H new ATOM 1057 N SER A 71 21.680 -25.542 -0.381 1.00 1.23 N ATOM 1058 CA SER A 71 22.314 -24.262 -0.088 1.00 43.35 C ATOM 1059 C SER A 71 21.318 -23.293 0.540 1.00 54.51 C ATOM 1060 O SER A 71 21.679 -22.476 1.387 1.00 73.20 O ATOM 1061 CB SER A 71 22.898 -23.654 -1.366 1.00 33.23 C ATOM 1062 OG SER A 71 24.302 -23.838 -1.423 1.00 34.41 O ATOM 0 H SER A 71 20.691 -25.589 -0.134 1.00 1.23 H new ATOM 0 HA SER A 71 23.120 -24.439 0.624 1.00 43.35 H new ATOM 0 HB2 SER A 71 22.432 -24.114 -2.237 1.00 33.23 H new ATOM 0 HB3 SER A 71 22.666 -22.590 -1.405 1.00 33.23 H new ATOM 0 HG SER A 71 24.509 -24.794 -1.369 1.00 34.41 H new ATOM 1068 N ALA A 72 20.061 -23.390 0.118 1.00 41.41 N ATOM 1069 CA ALA A 72 19.011 -22.524 0.640 1.00 50.23 C ATOM 1070 C ALA A 72 19.013 -22.517 2.165 1.00 53.44 C ATOM 1071 O ALA A 72 19.254 -21.485 2.790 1.00 40.11 O ATOM 1072 CB ALA A 72 17.653 -22.965 0.114 1.00 62.14 C ATOM 0 H ALA A 72 19.745 -24.060 -0.584 1.00 41.41 H new ATOM 0 HA ALA A 72 19.208 -21.508 0.298 1.00 50.23 H new ATOM 0 HB1 ALA A 72 16.878 -22.310 0.512 1.00 62.14 H new ATOM 0 HB2 ALA A 72 17.650 -22.912 -0.975 1.00 62.14 H new ATOM 0 HB3 ALA A 72 17.457 -23.990 0.427 1.00 62.14 H new ATOM 1078 N GLY A 73 18.741 -23.675 2.758 1.00 70.11 N ATOM 1079 CA GLY A 73 18.716 -23.779 4.205 1.00 34.51 C ATOM 1080 C GLY A 73 18.356 -25.173 4.680 1.00 72.43 C ATOM 1081 O GLY A 73 17.211 -25.433 5.053 1.00 63.05 O ATOM 0 H GLY A 73 18.538 -24.543 2.262 1.00 70.11 H new ATOM 0 HA2 GLY A 73 19.693 -23.504 4.603 1.00 34.51 H new ATOM 0 HA3 GLY A 73 17.996 -23.065 4.605 1.00 34.51 H new ATOM 1085 N ILE A 74 19.334 -26.073 4.665 1.00 52.35 N ATOM 1086 CA ILE A 74 19.114 -27.447 5.096 1.00 34.41 C ATOM 1087 C ILE A 74 20.307 -27.973 5.886 1.00 30.34 C ATOM 1088 O ILE A 74 21.023 -28.875 5.450 1.00 5.53 O ATOM 1089 CB ILE A 74 18.855 -28.379 3.897 1.00 21.25 C ATOM 1090 CG1 ILE A 74 19.951 -28.206 2.844 1.00 72.35 C ATOM 1091 CG2 ILE A 74 17.486 -28.101 3.296 1.00 34.21 C ATOM 1092 CD1 ILE A 74 19.651 -27.122 1.832 1.00 34.31 C ATOM 0 H ILE A 74 20.286 -25.874 4.359 1.00 52.35 H new ATOM 0 HA ILE A 74 18.232 -27.439 5.737 1.00 34.41 H new ATOM 0 HB ILE A 74 18.873 -29.411 4.247 1.00 21.25 H new ATOM 0 HG12 ILE A 74 20.891 -27.974 3.345 1.00 72.35 H new ATOM 0 HG13 ILE A 74 20.093 -29.151 2.320 1.00 72.35 H new ATOM 0 HG21 ILE A 74 17.318 -28.767 2.450 1.00 34.21 H new ATOM 0 HG22 ILE A 74 16.717 -28.270 4.049 1.00 34.21 H new ATOM 0 HG23 ILE A 74 17.441 -27.066 2.957 1.00 34.21 H new ATOM 0 HD11 ILE A 74 20.471 -27.055 1.117 1.00 34.31 H new ATOM 0 HD12 ILE A 74 18.728 -27.362 1.305 1.00 34.31 H new ATOM 0 HD13 ILE A 74 19.538 -26.167 2.345 1.00 34.31 H new ATOM 1104 N PRO A 75 20.526 -27.399 7.079 1.00 64.33 N ATOM 1105 CA PRO A 75 21.631 -27.796 7.957 1.00 41.11 C ATOM 1106 C PRO A 75 21.316 -29.060 8.750 1.00 44.22 C ATOM 1107 O PRO A 75 22.198 -29.882 9.002 1.00 52.53 O ATOM 1108 CB PRO A 75 21.784 -26.598 8.898 1.00 74.30 C ATOM 1109 CG PRO A 75 20.433 -25.971 8.935 1.00 72.13 C ATOM 1110 CD PRO A 75 19.712 -26.319 7.662 1.00 65.44 C ATOM 0 HA PRO A 75 22.534 -28.032 7.394 1.00 41.11 H new ATOM 0 HB2 PRO A 75 22.102 -26.913 9.892 1.00 74.30 H new ATOM 0 HB3 PRO A 75 22.535 -25.899 8.530 1.00 74.30 H new ATOM 0 HG2 PRO A 75 19.872 -26.329 9.798 1.00 72.13 H new ATOM 0 HG3 PRO A 75 20.520 -24.889 9.038 1.00 72.13 H new ATOM 0 HD2 PRO A 75 18.692 -26.649 7.858 1.00 65.44 H new ATOM 0 HD3 PRO A 75 19.647 -25.461 6.992 1.00 65.44 H new ATOM 1118 N ASP A 76 20.055 -29.209 9.140 1.00 63.01 N ATOM 1119 CA ASP A 76 19.624 -30.374 9.903 1.00 30.32 C ATOM 1120 C ASP A 76 18.130 -30.305 10.203 1.00 11.22 C ATOM 1121 O ASP A 76 17.447 -31.327 10.245 1.00 61.24 O ATOM 1122 CB ASP A 76 20.415 -30.477 11.208 1.00 14.25 C ATOM 1123 CG ASP A 76 19.790 -31.450 12.189 1.00 60.12 C ATOM 1124 OD1 ASP A 76 18.855 -31.047 12.911 1.00 14.35 O ATOM 1125 OD2 ASP A 76 20.236 -32.616 12.233 1.00 41.52 O ATOM 0 H ASP A 76 19.314 -28.538 8.940 1.00 63.01 H new ATOM 0 HA ASP A 76 19.814 -31.262 9.301 1.00 30.32 H new ATOM 0 HB2 ASP A 76 21.435 -30.793 10.987 1.00 14.25 H new ATOM 0 HB3 ASP A 76 20.479 -29.491 11.669 1.00 14.25 H new ATOM 1130 N ASN A 77 17.629 -29.092 10.413 1.00 44.52 N ATOM 1131 CA ASN A 77 16.216 -28.889 10.711 1.00 43.31 C ATOM 1132 C ASN A 77 15.685 -27.645 10.005 1.00 14.35 C ATOM 1133 O ASN A 77 16.455 -26.810 9.531 1.00 25.32 O ATOM 1134 CB ASN A 77 16.005 -28.762 12.221 1.00 42.21 C ATOM 1135 CG ASN A 77 17.141 -28.025 12.904 1.00 42.35 C ATOM 1136 OD1 ASN A 77 17.744 -27.119 12.327 1.00 74.02 O ATOM 1137 ND2 ASN A 77 17.439 -28.411 14.139 1.00 43.14 N ATOM 0 H ASN A 77 18.181 -28.235 10.382 1.00 44.52 H new ATOM 0 HA ASN A 77 15.665 -29.756 10.346 1.00 43.31 H new ATOM 0 HB2 ASN A 77 15.069 -28.237 12.411 1.00 42.21 H new ATOM 0 HB3 ASN A 77 15.907 -29.757 12.656 1.00 42.21 H new ATOM 0 HD21 ASN A 77 18.194 -27.952 14.649 1.00 43.14 H new ATOM 0 HD22 ASN A 77 16.913 -29.166 14.578 1.00 43.14 H new ATOM 1144 N SER A 78 14.362 -27.527 9.941 1.00 62.41 N ATOM 1145 CA SER A 78 13.727 -26.387 9.291 1.00 72.12 C ATOM 1146 C SER A 78 13.968 -25.106 10.084 1.00 71.13 C ATOM 1147 O SER A 78 13.160 -24.727 10.932 1.00 54.02 O ATOM 1148 CB SER A 78 12.224 -26.632 9.139 1.00 2.45 C ATOM 1149 OG SER A 78 11.543 -25.433 8.812 1.00 11.11 O ATOM 0 H SER A 78 13.710 -28.207 10.331 1.00 62.41 H new ATOM 0 HA SER A 78 14.171 -26.270 8.302 1.00 72.12 H new ATOM 0 HB2 SER A 78 12.050 -27.376 8.362 1.00 2.45 H new ATOM 0 HB3 SER A 78 11.823 -27.040 10.067 1.00 2.45 H new ATOM 0 HG SER A 78 10.585 -25.616 8.719 1.00 11.11 H new ATOM 1155 N ILE A 79 15.085 -24.444 9.801 1.00 31.41 N ATOM 1156 CA ILE A 79 15.432 -23.206 10.486 1.00 5.33 C ATOM 1157 C ILE A 79 16.011 -22.183 9.514 1.00 61.40 C ATOM 1158 O ILE A 79 17.196 -21.855 9.575 1.00 71.25 O ATOM 1159 CB ILE A 79 16.448 -23.454 11.617 1.00 0.12 C ATOM 1160 CG1 ILE A 79 15.956 -24.572 12.538 1.00 34.11 C ATOM 1161 CG2 ILE A 79 16.684 -22.175 12.407 1.00 20.21 C ATOM 1162 CD1 ILE A 79 14.712 -24.208 13.319 1.00 24.23 C ATOM 0 H ILE A 79 15.765 -24.745 9.102 1.00 31.41 H new ATOM 0 HA ILE A 79 14.510 -22.814 10.916 1.00 5.33 H new ATOM 0 HB ILE A 79 17.394 -23.764 11.174 1.00 0.12 H new ATOM 0 HG12 ILE A 79 15.753 -25.461 11.941 1.00 34.11 H new ATOM 0 HG13 ILE A 79 16.751 -24.832 13.237 1.00 34.11 H new ATOM 0 HG21 ILE A 79 17.404 -22.366 13.203 1.00 20.21 H new ATOM 0 HG22 ILE A 79 17.074 -21.404 11.743 1.00 20.21 H new ATOM 0 HG23 ILE A 79 15.743 -21.838 12.842 1.00 20.21 H new ATOM 0 HD11 ILE A 79 14.420 -25.047 13.951 1.00 24.23 H new ATOM 0 HD12 ILE A 79 14.916 -23.338 13.943 1.00 24.23 H new ATOM 0 HD13 ILE A 79 13.903 -23.976 12.627 1.00 24.23 H new ATOM 1174 N SER A 80 15.166 -21.682 8.619 1.00 40.11 N ATOM 1175 CA SER A 80 15.594 -20.698 7.632 1.00 54.54 C ATOM 1176 C SER A 80 14.464 -19.723 7.312 1.00 4.54 C ATOM 1177 O SER A 80 13.304 -19.970 7.641 1.00 61.34 O ATOM 1178 CB SER A 80 16.057 -21.396 6.352 1.00 51.24 C ATOM 1179 OG SER A 80 14.951 -21.800 5.562 1.00 5.24 O ATOM 0 H SER A 80 14.181 -21.941 8.557 1.00 40.11 H new ATOM 0 HA SER A 80 16.428 -20.136 8.053 1.00 54.54 H new ATOM 0 HB2 SER A 80 16.692 -20.723 5.776 1.00 51.24 H new ATOM 0 HB3 SER A 80 16.663 -22.266 6.607 1.00 51.24 H new ATOM 0 HG SER A 80 15.274 -22.242 4.749 1.00 5.24 H new ATOM 1185 N SER A 81 14.813 -18.612 6.670 1.00 65.51 N ATOM 1186 CA SER A 81 13.831 -17.597 6.309 1.00 60.10 C ATOM 1187 C SER A 81 14.410 -16.619 5.292 1.00 52.44 C ATOM 1188 O SER A 81 15.627 -16.470 5.179 1.00 52.31 O ATOM 1189 CB SER A 81 13.367 -16.840 7.555 1.00 63.10 C ATOM 1190 OG SER A 81 11.954 -16.851 7.662 1.00 43.44 O ATOM 0 H SER A 81 15.769 -18.393 6.389 1.00 65.51 H new ATOM 0 HA SER A 81 12.975 -18.099 5.858 1.00 60.10 H new ATOM 0 HB2 SER A 81 13.806 -17.293 8.444 1.00 63.10 H new ATOM 0 HB3 SER A 81 13.724 -15.811 7.513 1.00 63.10 H new ATOM 0 HG SER A 81 11.683 -16.362 8.467 1.00 43.44 H new ATOM 1196 N PHE A 82 13.528 -15.953 4.552 1.00 25.51 N ATOM 1197 CA PHE A 82 13.950 -14.989 3.543 1.00 63.44 C ATOM 1198 C PHE A 82 12.900 -13.898 3.360 1.00 13.24 C ATOM 1199 O PHE A 82 11.702 -14.177 3.304 1.00 21.32 O ATOM 1200 CB PHE A 82 14.206 -15.694 2.209 1.00 61.41 C ATOM 1201 CG PHE A 82 12.949 -16.046 1.466 1.00 20.31 C ATOM 1202 CD1 PHE A 82 12.003 -16.883 2.036 1.00 11.11 C ATOM 1203 CD2 PHE A 82 12.713 -15.540 0.198 1.00 21.11 C ATOM 1204 CE1 PHE A 82 10.846 -17.209 1.354 1.00 12.23 C ATOM 1205 CE2 PHE A 82 11.557 -15.862 -0.488 1.00 64.14 C ATOM 1206 CZ PHE A 82 10.622 -16.697 0.091 1.00 1.21 C ATOM 0 H PHE A 82 12.517 -16.064 4.633 1.00 25.51 H new ATOM 0 HA PHE A 82 14.875 -14.525 3.885 1.00 63.44 H new ATOM 0 HB2 PHE A 82 14.822 -15.052 1.580 1.00 61.41 H new ATOM 0 HB3 PHE A 82 14.777 -16.604 2.392 1.00 61.41 H new ATOM 0 HD1 PHE A 82 12.172 -17.285 3.024 1.00 11.11 H new ATOM 0 HD2 PHE A 82 13.441 -14.886 -0.260 1.00 21.11 H new ATOM 0 HE1 PHE A 82 10.117 -17.864 1.809 1.00 12.23 H new ATOM 0 HE2 PHE A 82 11.385 -15.461 -1.476 1.00 64.14 H new ATOM 0 HZ PHE A 82 9.718 -16.949 -0.443 1.00 1.21 H new ATOM 1216 N ARG A 83 13.358 -12.654 3.269 1.00 13.54 N ATOM 1217 CA ARG A 83 12.458 -11.519 3.096 1.00 63.35 C ATOM 1218 C ARG A 83 12.253 -11.210 1.615 1.00 31.34 C ATOM 1219 O ARG A 83 13.206 -10.913 0.896 1.00 22.21 O ATOM 1220 CB ARG A 83 13.013 -10.287 3.813 1.00 52.04 C ATOM 1221 CG ARG A 83 12.833 -10.328 5.321 1.00 11.13 C ATOM 1222 CD ARG A 83 11.805 -9.309 5.788 1.00 40.23 C ATOM 1223 NE ARG A 83 10.876 -9.875 6.763 1.00 45.25 N ATOM 1224 CZ ARG A 83 9.906 -9.178 7.343 1.00 31.34 C ATOM 1225 NH1 ARG A 83 9.738 -7.897 7.049 1.00 55.43 N ATOM 1226 NH2 ARG A 83 9.101 -9.764 8.221 1.00 51.03 N ATOM 0 H ARG A 83 14.346 -12.406 3.312 1.00 13.54 H new ATOM 0 HA ARG A 83 11.494 -11.781 3.532 1.00 63.35 H new ATOM 0 HB2 ARG A 83 14.075 -10.192 3.585 1.00 52.04 H new ATOM 0 HB3 ARG A 83 12.521 -9.397 3.421 1.00 52.04 H new ATOM 0 HG2 ARG A 83 12.520 -11.327 5.624 1.00 11.13 H new ATOM 0 HG3 ARG A 83 13.788 -10.132 5.808 1.00 11.13 H new ATOM 0 HD2 ARG A 83 12.317 -8.454 6.229 1.00 40.23 H new ATOM 0 HD3 ARG A 83 11.247 -8.938 4.929 1.00 40.23 H new ATOM 0 HE ARG A 83 10.978 -10.859 7.012 1.00 45.25 H new ATOM 0 HH11 ARG A 83 10.355 -7.443 6.375 1.00 55.43 H new ATOM 0 HH12 ARG A 83 8.992 -7.365 7.496 1.00 55.43 H new ATOM 0 HH21 ARG A 83 9.228 -10.750 8.450 1.00 51.03 H new ATOM 0 HH22 ARG A 83 8.356 -9.228 8.666 1.00 51.03 H new ATOM 1240 N GLN A 84 11.003 -11.283 1.169 1.00 62.21 N ATOM 1241 CA GLN A 84 10.674 -11.012 -0.225 1.00 73.54 C ATOM 1242 C GLN A 84 10.615 -9.512 -0.489 1.00 52.53 C ATOM 1243 O GLN A 84 9.602 -8.864 -0.222 1.00 3.14 O ATOM 1244 CB GLN A 84 9.336 -11.659 -0.590 1.00 64.34 C ATOM 1245 CG GLN A 84 9.431 -13.158 -0.830 1.00 14.51 C ATOM 1246 CD GLN A 84 8.338 -13.932 -0.120 1.00 11.13 C ATOM 1247 OE1 GLN A 84 7.866 -13.528 0.944 1.00 71.53 O ATOM 1248 NE2 GLN A 84 7.929 -15.051 -0.705 1.00 61.52 N ATOM 0 H GLN A 84 10.203 -11.527 1.752 1.00 62.21 H new ATOM 0 HA GLN A 84 11.459 -11.441 -0.847 1.00 73.54 H new ATOM 0 HB2 GLN A 84 8.621 -11.472 0.211 1.00 64.34 H new ATOM 0 HB3 GLN A 84 8.943 -11.180 -1.487 1.00 64.34 H new ATOM 0 HG2 GLN A 84 9.374 -13.355 -1.901 1.00 14.51 H new ATOM 0 HG3 GLN A 84 10.403 -13.516 -0.491 1.00 14.51 H new ATOM 0 HE21 GLN A 84 8.348 -15.348 -1.586 1.00 61.52 H new ATOM 0 HE22 GLN A 84 7.196 -15.614 -0.273 1.00 61.52 H new ATOM 1257 N ILE A 85 11.706 -8.965 -1.015 1.00 72.01 N ATOM 1258 CA ILE A 85 11.777 -7.540 -1.315 1.00 62.55 C ATOM 1259 C ILE A 85 12.076 -7.304 -2.792 1.00 70.31 C ATOM 1260 O ILE A 85 13.189 -6.926 -3.159 1.00 32.53 O ATOM 1261 CB ILE A 85 12.854 -6.839 -0.467 1.00 24.51 C ATOM 1262 CG1 ILE A 85 14.109 -7.711 -0.374 1.00 52.23 C ATOM 1263 CG2 ILE A 85 12.315 -6.528 0.921 1.00 25.24 C ATOM 1264 CD1 ILE A 85 15.392 -6.915 -0.279 1.00 14.05 C ATOM 0 H ILE A 85 12.553 -9.487 -1.242 1.00 72.01 H new ATOM 0 HA ILE A 85 10.802 -7.117 -1.071 1.00 62.55 H new ATOM 0 HB ILE A 85 13.122 -5.900 -0.951 1.00 24.51 H new ATOM 0 HG12 ILE A 85 14.027 -8.359 0.499 1.00 52.23 H new ATOM 0 HG13 ILE A 85 14.157 -8.359 -1.249 1.00 52.23 H new ATOM 0 HG21 ILE A 85 13.088 -6.033 1.509 1.00 25.24 H new ATOM 0 HG22 ILE A 85 11.448 -5.873 0.836 1.00 25.24 H new ATOM 0 HG23 ILE A 85 12.023 -7.455 1.414 1.00 25.24 H new ATOM 0 HD11 ILE A 85 16.240 -7.597 -0.216 1.00 14.05 H new ATOM 0 HD12 ILE A 85 15.497 -6.287 -1.164 1.00 14.05 H new ATOM 0 HD13 ILE A 85 15.365 -6.287 0.611 1.00 14.05 H new