USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 853 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 Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -1.47 X(o=-1.5,f=-1.5) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0071) USER MOD Single : A 28 SER OG : rot 172:sc= -0.958 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -144:sc= -0.134 (180deg=-0.748) USER MOD Single : A 43 HIS : no HD1:sc= -0.46 X(o=-0.46,f=-0.031) USER MOD Single : A 44 SER OG : rot 149:sc= 0.888 USER MOD Single : A 46 SER OG : rot 110:sc= 0.258 USER MOD Single : A 48 LYS NZ :NH3+ -138:sc= -1.06 (180deg=-3.08!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -3.17! K(o=-3.2!,f=-2.4) USER MOD Single : A 63 GLN : amide:sc= -1.2! K(o=-1.2!,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -113:sc= -1.69 (180deg=-4.05!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.848 USER MOD Single : A 76 THR OG1 : rot -59:sc= -0.717 USER MOD Single : A 78 GLN : amide:sc= -1.24 K(o=-1.2,f=-2!) USER MOD Single : A 81 LYS NZ :NH3+ -126:sc= 0.0044 (180deg=-0.262) USER MOD Single : A 82 LYS NZ :NH3+ 159:sc= -3.5! (180deg=-4.64!) USER MOD Single : A 84 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.015) USER MOD Single : A 85 LYS NZ :NH3+ -135:sc= -2 (180deg=-4.61!) USER MOD Single : A 90 SER OG : rot 103:sc= 0.315 USER MOD Single : A 93 ASN : amide:sc= -1.37 K(o=-1.4,f=-6!) USER MOD Single : A 94 LYS NZ :NH3+ 151:sc= -0.155 (180deg=-0.79) USER MOD Single : A 96 LYS NZ :NH3+ -152:sc= -0.0776 (180deg=-0.623) USER MOD Single : A 100 THR OG1 : rot 67:sc= 0.0333 USER MOD Single : A 102 ASN : amide:sc= -0.0491 K(o=-0.049,f=-1.4) USER MOD Single : B 5 TYR OH : rot 172:sc= -6.21! USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -3.957 -1.691 8.891 1.00 0.24 N ATOM 21 CA VAL A 2 -2.627 -1.585 8.223 1.00 0.19 C ATOM 22 C VAL A 2 -1.877 -2.914 8.363 1.00 0.22 C ATOM 23 O VAL A 2 -2.226 -3.750 9.173 1.00 0.28 O ATOM 24 CB VAL A 2 -1.819 -0.466 8.885 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.434 -0.376 8.238 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.554 0.864 8.707 1.00 0.30 C ATOM 0 HA VAL A 2 -2.764 -1.359 7.165 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.705 -0.682 9.947 1.00 0.20 H new ATOM 0 HG11 VAL A 2 0.138 0.422 8.712 1.00 0.18 H new ATOM 0 HG12 VAL A 2 0.090 -1.323 8.366 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.542 -0.162 7.175 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -1.980 1.662 9.178 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.668 1.077 7.644 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.538 0.801 9.172 1.00 0.30 H new ATOM 36 N LYS A 3 -0.849 -3.114 7.582 1.00 0.18 N ATOM 37 CA LYS A 3 -0.073 -4.388 7.668 1.00 0.22 C ATOM 38 C LYS A 3 1.355 -4.142 7.176 1.00 0.16 C ATOM 39 O LYS A 3 1.571 -3.664 6.080 1.00 0.13 O ATOM 40 CB LYS A 3 -0.727 -5.459 6.786 1.00 0.26 C ATOM 41 CG LYS A 3 -0.078 -6.834 7.043 1.00 0.34 C ATOM 42 CD LYS A 3 -0.760 -7.531 8.226 1.00 0.81 C ATOM 43 CE LYS A 3 -0.036 -8.845 8.526 1.00 1.37 C ATOM 44 NZ LYS A 3 -0.593 -9.447 9.769 1.00 1.97 N ATOM 0 H LYS A 3 -0.512 -2.449 6.886 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.059 -4.730 8.703 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.796 -5.509 6.995 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.620 -5.189 5.735 1.00 0.26 H new ATOM 0 HG2 LYS A 3 -0.159 -7.455 6.151 1.00 0.34 H new ATOM 0 HG3 LYS A 3 0.985 -6.709 7.249 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -0.742 -6.884 9.103 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.807 -7.724 7.994 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.153 -9.536 7.691 1.00 1.37 H new ATOM 0 HE3 LYS A 3 1.033 -8.665 8.644 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -0.101 -10.340 9.973 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -0.460 -8.789 10.563 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -1.608 -9.633 9.640 1.00 1.97 H new ATOM 58 N GLN A 4 2.332 -4.465 7.980 1.00 0.18 N ATOM 59 CA GLN A 4 3.749 -4.250 7.565 1.00 0.15 C ATOM 60 C GLN A 4 4.274 -5.502 6.855 1.00 0.13 C ATOM 61 O GLN A 4 4.134 -6.610 7.336 1.00 0.14 O ATOM 62 CB GLN A 4 4.595 -3.962 8.812 1.00 0.20 C ATOM 63 CG GLN A 4 6.092 -4.103 8.489 1.00 0.21 C ATOM 64 CD GLN A 4 6.920 -3.388 9.559 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.698 -3.573 10.740 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.870 -2.573 9.194 1.00 0.98 N ATOM 0 H GLN A 4 2.210 -4.869 8.908 1.00 0.18 H new ATOM 0 HA GLN A 4 3.810 -3.405 6.879 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.388 -2.955 9.175 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.322 -4.651 9.611 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.367 -5.157 8.447 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.304 -3.679 7.508 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.056 -2.418 8.203 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.427 -2.091 9.899 1.00 0.98 H new ATOM 75 N ILE A 5 4.891 -5.319 5.717 1.00 0.10 N ATOM 76 CA ILE A 5 5.457 -6.468 4.945 1.00 0.10 C ATOM 77 C ILE A 5 6.982 -6.328 4.918 1.00 0.10 C ATOM 78 O ILE A 5 7.532 -5.644 4.078 1.00 0.11 O ATOM 79 CB ILE A 5 4.934 -6.419 3.506 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.416 -6.128 3.478 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.251 -7.732 2.791 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.609 -7.197 4.230 1.00 0.19 C ATOM 0 H ILE A 5 5.029 -4.407 5.282 1.00 0.10 H new ATOM 0 HA ILE A 5 5.166 -7.410 5.410 1.00 0.10 H new ATOM 0 HB ILE A 5 5.435 -5.606 2.981 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.226 -5.151 3.923 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.076 -6.078 2.444 1.00 0.12 H new ATOM 0 HG21 ILE A 5 4.876 -7.689 1.768 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.330 -7.887 2.776 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.774 -8.558 3.318 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.548 -6.951 4.184 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.776 -8.170 3.769 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.929 -7.229 5.271 1.00 0.19 H new ATOM 94 N GLU A 6 7.670 -6.954 5.833 1.00 0.11 N ATOM 95 CA GLU A 6 9.160 -6.839 5.860 1.00 0.14 C ATOM 96 C GLU A 6 9.785 -8.038 5.145 1.00 0.14 C ATOM 97 O GLU A 6 10.989 -8.136 5.023 1.00 0.17 O ATOM 98 CB GLU A 6 9.628 -6.822 7.318 1.00 0.18 C ATOM 99 CG GLU A 6 9.364 -5.436 7.937 1.00 0.31 C ATOM 100 CD GLU A 6 9.216 -5.565 9.456 1.00 1.20 C ATOM 101 OE1 GLU A 6 8.127 -5.888 9.899 1.00 1.96 O ATOM 102 OE2 GLU A 6 10.194 -5.336 10.148 1.00 1.97 O ATOM 0 H GLU A 6 7.267 -7.540 6.564 1.00 0.11 H new ATOM 0 HA GLU A 6 9.465 -5.922 5.356 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.103 -7.590 7.887 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.691 -7.057 7.371 1.00 0.18 H new ATOM 0 HG2 GLU A 6 10.184 -4.759 7.699 1.00 0.31 H new ATOM 0 HG3 GLU A 6 8.459 -5.003 7.510 1.00 0.31 H new ATOM 109 N SER A 7 8.981 -8.949 4.667 1.00 0.13 N ATOM 110 CA SER A 7 9.543 -10.137 3.960 1.00 0.15 C ATOM 111 C SER A 7 8.543 -10.642 2.920 1.00 0.14 C ATOM 112 O SER A 7 7.345 -10.558 3.100 1.00 0.12 O ATOM 113 CB SER A 7 9.830 -11.244 4.973 1.00 0.20 C ATOM 114 OG SER A 7 8.648 -11.523 5.713 1.00 0.23 O ATOM 0 H SER A 7 7.964 -8.923 4.735 1.00 0.13 H new ATOM 0 HA SER A 7 10.468 -9.853 3.459 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.172 -12.143 4.460 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.630 -10.938 5.646 1.00 0.20 H new ATOM 0 HG SER A 7 8.829 -12.234 6.363 1.00 0.23 H new ATOM 120 N LYS A 8 9.030 -11.165 1.829 1.00 0.15 N ATOM 121 CA LYS A 8 8.116 -11.675 0.769 1.00 0.14 C ATOM 122 C LYS A 8 7.096 -12.638 1.382 1.00 0.14 C ATOM 123 O LYS A 8 5.988 -12.771 0.903 1.00 0.13 O ATOM 124 CB LYS A 8 8.935 -12.413 -0.289 1.00 0.17 C ATOM 125 CG LYS A 8 8.059 -12.705 -1.508 1.00 0.21 C ATOM 126 CD LYS A 8 8.847 -13.555 -2.513 1.00 0.22 C ATOM 127 CE LYS A 8 9.950 -12.717 -3.172 1.00 1.06 C ATOM 128 NZ LYS A 8 10.384 -13.379 -4.434 1.00 1.90 N ATOM 0 H LYS A 8 10.025 -11.261 1.625 1.00 0.15 H new ATOM 0 HA LYS A 8 7.590 -10.837 0.312 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.795 -11.811 -0.583 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.324 -13.344 0.123 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.155 -13.230 -1.202 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.743 -11.772 -1.974 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.287 -14.414 -2.006 1.00 0.22 H new ATOM 0 HD3 LYS A 8 8.173 -13.946 -3.276 1.00 0.22 H new ATOM 0 HE2 LYS A 8 9.583 -11.713 -3.382 1.00 1.06 H new ATOM 0 HE3 LYS A 8 10.797 -12.611 -2.494 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 11.132 -12.813 -4.883 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 10.750 -14.329 -4.220 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 9.574 -13.458 -5.081 1.00 1.90 H new ATOM 142 N THR A 9 7.461 -13.317 2.436 1.00 0.16 N ATOM 143 CA THR A 9 6.512 -14.274 3.071 1.00 0.18 C ATOM 144 C THR A 9 5.247 -13.534 3.512 1.00 0.16 C ATOM 145 O THR A 9 4.140 -13.984 3.288 1.00 0.17 O ATOM 146 CB THR A 9 7.173 -14.916 4.285 1.00 0.21 C ATOM 147 OG1 THR A 9 8.452 -15.417 3.919 1.00 0.24 O ATOM 148 CG2 THR A 9 6.300 -16.060 4.803 1.00 0.25 C ATOM 0 H THR A 9 8.375 -13.250 2.884 1.00 0.16 H new ATOM 0 HA THR A 9 6.245 -15.046 2.350 1.00 0.18 H new ATOM 0 HB THR A 9 7.288 -14.170 5.071 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.878 -15.828 4.700 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.776 -16.517 5.671 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.322 -15.671 5.088 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.179 -16.809 4.020 1.00 0.25 H new ATOM 156 N ALA A 10 5.403 -12.403 4.140 1.00 0.16 N ATOM 157 CA ALA A 10 4.215 -11.631 4.602 1.00 0.17 C ATOM 158 C ALA A 10 3.478 -11.047 3.394 1.00 0.15 C ATOM 159 O ALA A 10 2.290 -10.801 3.444 1.00 0.17 O ATOM 160 CB ALA A 10 4.676 -10.498 5.524 1.00 0.20 C ATOM 0 H ALA A 10 6.305 -11.978 4.354 1.00 0.16 H new ATOM 0 HA ALA A 10 3.540 -12.291 5.146 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.810 -9.931 5.864 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.196 -10.918 6.385 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.351 -9.838 4.980 1.00 0.20 H new ATOM 166 N PHE A 11 4.168 -10.817 2.311 1.00 0.12 N ATOM 167 CA PHE A 11 3.492 -10.243 1.112 1.00 0.11 C ATOM 168 C PHE A 11 2.365 -11.167 0.663 1.00 0.13 C ATOM 169 O PHE A 11 1.206 -10.820 0.737 1.00 0.16 O ATOM 170 CB PHE A 11 4.505 -10.077 -0.026 1.00 0.10 C ATOM 171 CG PHE A 11 3.811 -9.500 -1.242 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.359 -8.165 -1.226 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.618 -10.293 -2.390 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.716 -7.626 -2.358 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.976 -9.753 -3.520 1.00 0.18 C ATOM 176 CZ PHE A 11 2.524 -8.420 -3.504 1.00 0.21 C ATOM 0 H PHE A 11 5.166 -11.000 2.204 1.00 0.12 H new ATOM 0 HA PHE A 11 3.078 -9.268 1.369 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.316 -9.420 0.288 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.952 -11.040 -0.272 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.505 -7.556 -0.347 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.963 -11.316 -2.403 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.370 -6.603 -2.346 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.830 -10.362 -4.400 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.030 -8.007 -4.371 1.00 0.21 H new ATOM 186 N GLN A 12 2.690 -12.337 0.195 1.00 0.15 N ATOM 187 CA GLN A 12 1.626 -13.272 -0.263 1.00 0.19 C ATOM 188 C GLN A 12 0.595 -13.465 0.849 1.00 0.17 C ATOM 189 O GLN A 12 -0.596 -13.419 0.617 1.00 0.16 O ATOM 190 CB GLN A 12 2.253 -14.621 -0.618 1.00 0.24 C ATOM 191 CG GLN A 12 3.254 -14.436 -1.759 1.00 1.21 C ATOM 192 CD GLN A 12 3.715 -15.806 -2.260 1.00 1.77 C ATOM 193 OE1 GLN A 12 4.267 -16.587 -1.510 1.00 2.35 O ATOM 194 NE2 GLN A 12 3.508 -16.134 -3.506 1.00 2.47 N ATOM 0 H GLN A 12 3.644 -12.687 0.109 1.00 0.15 H new ATOM 0 HA GLN A 12 1.133 -12.856 -1.142 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.754 -15.042 0.254 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.477 -15.328 -0.912 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.794 -13.875 -2.573 1.00 1.21 H new ATOM 0 HG3 GLN A 12 4.110 -13.856 -1.415 1.00 1.21 H new ATOM 0 HE21 GLN A 12 3.045 -15.479 -4.136 1.00 2.47 H new ATOM 0 HE22 GLN A 12 3.809 -17.046 -3.850 1.00 2.47 H new ATOM 203 N GLU A 13 1.039 -13.686 2.054 1.00 0.19 N ATOM 204 CA GLU A 13 0.080 -13.887 3.174 1.00 0.20 C ATOM 205 C GLU A 13 -0.822 -12.656 3.320 1.00 0.18 C ATOM 206 O GLU A 13 -1.984 -12.769 3.651 1.00 0.19 O ATOM 207 CB GLU A 13 0.864 -14.123 4.470 1.00 0.25 C ATOM 208 CG GLU A 13 1.339 -15.579 4.540 1.00 0.30 C ATOM 209 CD GLU A 13 2.012 -15.829 5.890 1.00 1.29 C ATOM 210 OE1 GLU A 13 2.118 -14.888 6.659 1.00 2.10 O ATOM 211 OE2 GLU A 13 2.408 -16.957 6.132 1.00 2.03 O ATOM 0 H GLU A 13 2.025 -13.736 2.312 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.547 -14.754 2.966 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.721 -13.450 4.514 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.236 -13.895 5.331 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.494 -16.255 4.412 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.038 -15.785 3.729 1.00 0.30 H new ATOM 218 N ALA A 14 -0.304 -11.485 3.078 1.00 0.18 N ATOM 219 CA ALA A 14 -1.149 -10.263 3.207 1.00 0.18 C ATOM 220 C ALA A 14 -2.312 -10.343 2.209 1.00 0.18 C ATOM 221 O ALA A 14 -3.452 -10.086 2.543 1.00 0.19 O ATOM 222 CB ALA A 14 -0.300 -9.026 2.912 1.00 0.20 C ATOM 0 H ALA A 14 0.663 -11.320 2.798 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.546 -10.195 4.220 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.916 -8.131 3.006 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.526 -8.974 3.621 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.096 -9.090 1.898 1.00 0.20 H new ATOM 228 N LEU A 15 -2.024 -10.701 0.985 1.00 0.17 N ATOM 229 CA LEU A 15 -3.097 -10.805 -0.053 1.00 0.18 C ATOM 230 C LEU A 15 -4.080 -11.913 0.330 1.00 0.18 C ATOM 231 O LEU A 15 -5.279 -11.715 0.337 1.00 0.18 O ATOM 232 CB LEU A 15 -2.462 -11.128 -1.414 1.00 0.19 C ATOM 233 CG LEU A 15 -1.182 -10.307 -1.592 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.640 -10.508 -3.008 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.492 -8.825 -1.374 1.00 0.62 C ATOM 0 H LEU A 15 -1.086 -10.928 0.656 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.632 -9.857 -0.117 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.235 -12.192 -1.477 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.164 -10.904 -2.217 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.438 -10.635 -0.866 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.271 -9.924 -3.135 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.419 -11.564 -3.167 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.385 -10.180 -3.733 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.581 -8.240 -1.501 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.237 -8.498 -2.100 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.880 -8.679 -0.366 1.00 0.62 H new ATOM 247 N ASP A 16 -3.584 -13.077 0.645 1.00 0.19 N ATOM 248 CA ASP A 16 -4.494 -14.193 1.022 1.00 0.21 C ATOM 249 C ASP A 16 -5.250 -13.825 2.298 1.00 0.20 C ATOM 250 O ASP A 16 -6.407 -14.154 2.462 1.00 0.20 O ATOM 251 CB ASP A 16 -3.673 -15.462 1.262 1.00 0.24 C ATOM 252 CG ASP A 16 -4.615 -16.642 1.509 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.376 -16.578 2.461 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.559 -17.589 0.742 1.00 1.09 O ATOM 0 H ASP A 16 -2.589 -13.303 0.658 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.207 -14.369 0.216 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -3.038 -15.665 0.400 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -3.013 -15.324 2.119 1.00 0.24 H new ATOM 259 N ALA A 17 -4.605 -13.143 3.206 1.00 0.22 N ATOM 260 CA ALA A 17 -5.287 -12.753 4.471 1.00 0.24 C ATOM 261 C ALA A 17 -6.150 -11.512 4.230 1.00 0.21 C ATOM 262 O ALA A 17 -7.042 -11.207 4.998 1.00 0.22 O ATOM 263 CB ALA A 17 -4.237 -12.443 5.539 1.00 0.30 C ATOM 0 H ALA A 17 -3.635 -12.839 3.125 1.00 0.22 H new ATOM 0 HA ALA A 17 -5.921 -13.573 4.808 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.734 -12.157 6.466 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.624 -13.327 5.714 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.604 -11.623 5.199 1.00 0.30 H new ATOM 269 N ALA A 18 -5.891 -10.793 3.172 1.00 0.21 N ATOM 270 CA ALA A 18 -6.695 -9.571 2.885 1.00 0.22 C ATOM 271 C ALA A 18 -8.123 -9.970 2.501 1.00 0.21 C ATOM 272 O ALA A 18 -8.985 -9.132 2.327 1.00 0.24 O ATOM 273 CB ALA A 18 -6.054 -8.800 1.730 1.00 0.23 C ATOM 0 H ALA A 18 -5.157 -10.999 2.494 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.724 -8.941 3.774 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.641 -7.906 1.519 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.039 -8.511 2.004 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.024 -9.432 0.843 1.00 0.23 H new ATOM 279 N GLY A 19 -8.380 -11.242 2.369 1.00 0.22 N ATOM 280 CA GLY A 19 -9.754 -11.688 1.997 1.00 0.24 C ATOM 281 C GLY A 19 -10.035 -11.325 0.538 1.00 0.20 C ATOM 282 O GLY A 19 -9.391 -11.819 -0.369 1.00 0.28 O ATOM 0 H GLY A 19 -7.700 -11.991 2.502 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.848 -12.765 2.139 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.489 -11.215 2.648 1.00 0.24 H new ATOM 286 N ASP A 20 -10.994 -10.465 0.305 1.00 0.13 N ATOM 287 CA ASP A 20 -11.334 -10.056 -1.094 1.00 0.18 C ATOM 288 C ASP A 20 -11.515 -8.539 -1.150 1.00 0.15 C ATOM 289 O ASP A 20 -11.861 -7.984 -2.174 1.00 0.22 O ATOM 290 CB ASP A 20 -12.638 -10.735 -1.523 1.00 0.26 C ATOM 291 CG ASP A 20 -12.425 -12.248 -1.607 1.00 1.43 C ATOM 292 OD1 ASP A 20 -11.284 -12.671 -1.537 1.00 2.19 O ATOM 293 OD2 ASP A 20 -13.410 -12.958 -1.739 1.00 2.21 O ATOM 0 H ASP A 20 -11.561 -10.025 1.029 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.528 -10.355 -1.764 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.430 -10.508 -0.809 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.960 -10.349 -2.490 1.00 0.26 H new ATOM 298 N LYS A 21 -11.279 -7.858 -0.062 1.00 0.12 N ATOM 299 CA LYS A 21 -11.434 -6.379 -0.073 1.00 0.19 C ATOM 300 C LYS A 21 -10.322 -5.769 -0.921 1.00 0.15 C ATOM 301 O LYS A 21 -9.387 -6.439 -1.308 1.00 0.15 O ATOM 302 CB LYS A 21 -11.331 -5.852 1.358 1.00 0.27 C ATOM 303 CG LYS A 21 -12.657 -6.074 2.082 1.00 0.29 C ATOM 304 CD LYS A 21 -12.454 -5.854 3.585 1.00 0.30 C ATOM 305 CE LYS A 21 -13.798 -5.582 4.262 1.00 1.12 C ATOM 306 NZ LYS A 21 -14.603 -6.836 4.288 1.00 1.90 N ATOM 0 H LYS A 21 -10.987 -8.261 0.829 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.404 -6.110 -0.491 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.526 -6.362 1.887 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.083 -4.791 1.348 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.413 -5.387 1.701 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.022 -7.084 1.896 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.985 -6.732 4.029 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.778 -5.015 3.750 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -13.639 -5.218 5.277 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.337 -4.802 3.724 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -15.503 -6.661 4.778 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -14.794 -7.146 3.314 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -14.074 -7.578 4.790 1.00 1.90 H new ATOM 320 N LEU A 22 -10.409 -4.501 -1.209 1.00 0.13 N ATOM 321 CA LEU A 22 -9.342 -3.864 -2.025 1.00 0.11 C ATOM 322 C LEU A 22 -8.040 -3.905 -1.207 1.00 0.10 C ATOM 323 O LEU A 22 -8.069 -4.055 -0.001 1.00 0.11 O ATOM 324 CB LEU A 22 -9.749 -2.405 -2.340 1.00 0.12 C ATOM 325 CG LEU A 22 -9.419 -2.010 -3.799 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.766 -0.510 -4.014 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.929 -2.266 -4.105 1.00 0.11 C ATOM 0 H LEU A 22 -11.166 -3.883 -0.917 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.197 -4.389 -2.969 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.818 -2.281 -2.164 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.234 -1.730 -1.657 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.013 -2.620 -4.479 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.535 -0.227 -5.041 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.827 -0.351 -3.824 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.179 0.101 -3.328 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.715 -1.982 -5.136 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.312 -1.673 -3.430 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.706 -3.324 -3.966 1.00 0.11 H new ATOM 339 N VAL A 23 -6.903 -3.778 -1.840 1.00 0.08 N ATOM 340 CA VAL A 23 -5.613 -3.813 -1.086 1.00 0.09 C ATOM 341 C VAL A 23 -4.630 -2.830 -1.718 1.00 0.08 C ATOM 342 O VAL A 23 -4.115 -3.061 -2.794 1.00 0.09 O ATOM 343 CB VAL A 23 -5.026 -5.226 -1.149 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.849 -5.334 -0.180 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.103 -6.240 -0.759 1.00 0.10 C ATOM 0 H VAL A 23 -6.811 -3.651 -2.848 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.791 -3.536 -0.047 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.680 -5.432 -2.162 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.432 -6.340 -0.225 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.082 -4.610 -0.457 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.192 -5.129 0.834 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.688 -7.247 -0.803 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.447 -6.033 0.254 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.942 -6.163 -1.450 1.00 0.10 H new ATOM 355 N VAL A 24 -4.359 -1.735 -1.049 1.00 0.08 N ATOM 356 CA VAL A 24 -3.403 -0.723 -1.595 1.00 0.08 C ATOM 357 C VAL A 24 -2.073 -0.845 -0.850 1.00 0.08 C ATOM 358 O VAL A 24 -2.035 -0.959 0.359 1.00 0.08 O ATOM 359 CB VAL A 24 -3.980 0.682 -1.409 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.221 1.673 -2.293 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.459 0.683 -1.800 1.00 0.09 C ATOM 0 H VAL A 24 -4.762 -1.498 -0.142 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.243 -0.900 -2.659 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.878 0.977 -0.365 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.635 2.672 -2.158 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.167 1.676 -2.014 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.319 1.378 -3.338 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.870 1.684 -1.667 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.560 0.385 -2.844 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.003 -0.019 -1.168 1.00 0.09 H new ATOM 371 N VAL A 25 -0.983 -0.839 -1.574 1.00 0.09 N ATOM 372 CA VAL A 25 0.367 -0.971 -0.939 1.00 0.09 C ATOM 373 C VAL A 25 1.127 0.343 -1.080 1.00 0.10 C ATOM 374 O VAL A 25 1.141 0.954 -2.130 1.00 0.17 O ATOM 375 CB VAL A 25 1.152 -2.077 -1.654 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.324 -2.527 -0.782 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.225 -3.262 -1.917 1.00 0.09 C ATOM 0 H VAL A 25 -0.969 -0.747 -2.590 1.00 0.09 H new ATOM 0 HA VAL A 25 0.250 -1.217 0.116 1.00 0.09 H new ATOM 0 HB VAL A 25 1.537 -1.695 -2.600 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.878 -3.313 -1.295 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.984 -1.680 -0.595 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.946 -2.909 0.166 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.779 -4.051 -2.425 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.159 -3.641 -0.970 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.607 -2.941 -2.544 1.00 0.09 H new ATOM 387 N ASP A 26 1.770 0.773 -0.029 1.00 0.08 N ATOM 388 CA ASP A 26 2.549 2.044 -0.078 1.00 0.08 C ATOM 389 C ASP A 26 4.040 1.715 -0.054 1.00 0.08 C ATOM 390 O ASP A 26 4.605 1.421 0.981 1.00 0.09 O ATOM 391 CB ASP A 26 2.200 2.902 1.139 1.00 0.09 C ATOM 392 CG ASP A 26 3.119 4.125 1.188 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.142 4.864 0.218 1.00 0.96 O ATOM 394 OD2 ASP A 26 3.788 4.300 2.194 1.00 0.93 O ATOM 0 H ASP A 26 1.789 0.293 0.871 1.00 0.08 H new ATOM 0 HA ASP A 26 2.305 2.591 -0.989 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.159 3.219 1.086 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.309 2.317 2.052 1.00 0.09 H new ATOM 399 N PHE A 27 4.685 1.771 -1.184 1.00 0.08 N ATOM 400 CA PHE A 27 6.140 1.473 -1.222 1.00 0.09 C ATOM 401 C PHE A 27 6.893 2.753 -0.880 1.00 0.11 C ATOM 402 O PHE A 27 7.409 3.431 -1.749 1.00 0.13 O ATOM 403 CB PHE A 27 6.530 1.026 -2.630 1.00 0.10 C ATOM 404 CG PHE A 27 6.155 -0.423 -2.847 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.834 -0.777 -3.192 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.136 -1.420 -2.717 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.500 -2.130 -3.404 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.803 -2.771 -2.931 1.00 0.21 C ATOM 409 CZ PHE A 27 5.486 -3.126 -3.273 1.00 0.23 C ATOM 0 H PHE A 27 4.266 2.010 -2.083 1.00 0.08 H new ATOM 0 HA PHE A 27 6.383 0.682 -0.512 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.030 1.652 -3.369 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.602 1.156 -2.776 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.079 -0.012 -3.294 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.148 -1.150 -2.452 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.488 -2.402 -3.667 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.560 -3.535 -2.832 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.231 -4.163 -3.435 1.00 0.23 H new ATOM 419 N SER A 28 6.944 3.091 0.384 1.00 0.11 N ATOM 420 CA SER A 28 7.653 4.330 0.820 1.00 0.12 C ATOM 421 C SER A 28 8.867 3.943 1.661 1.00 0.10 C ATOM 422 O SER A 28 8.844 2.968 2.385 1.00 0.11 O ATOM 423 CB SER A 28 6.709 5.185 1.663 1.00 0.17 C ATOM 424 OG SER A 28 5.627 5.627 0.854 1.00 1.03 O ATOM 0 H SER A 28 6.519 2.554 1.140 1.00 0.11 H new ATOM 0 HA SER A 28 7.974 4.895 -0.055 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.334 4.608 2.508 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.244 6.041 2.074 1.00 0.17 H new ATOM 0 HG SER A 28 4.955 6.065 1.417 1.00 1.03 H new ATOM 430 N ALA A 29 9.927 4.700 1.582 1.00 0.10 N ATOM 431 CA ALA A 29 11.138 4.375 2.390 1.00 0.15 C ATOM 432 C ALA A 29 11.040 5.099 3.738 1.00 0.18 C ATOM 433 O ALA A 29 10.767 6.282 3.801 1.00 0.26 O ATOM 434 CB ALA A 29 12.389 4.828 1.619 1.00 0.19 C ATOM 0 H ALA A 29 10.007 5.529 0.993 1.00 0.10 H new ATOM 0 HA ALA A 29 11.206 3.302 2.569 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.280 4.595 2.202 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.435 4.308 0.662 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.340 5.903 1.446 1.00 0.19 H new ATOM 440 N THR A 30 11.247 4.393 4.815 1.00 0.18 N ATOM 441 CA THR A 30 11.153 5.029 6.161 1.00 0.23 C ATOM 442 C THR A 30 12.267 6.067 6.338 1.00 0.26 C ATOM 443 O THR A 30 12.148 6.983 7.125 1.00 0.31 O ATOM 444 CB THR A 30 11.287 3.953 7.242 1.00 0.26 C ATOM 445 OG1 THR A 30 11.199 4.558 8.525 1.00 0.32 O ATOM 446 CG2 THR A 30 12.639 3.252 7.097 1.00 0.28 C ATOM 0 H THR A 30 11.478 3.400 4.822 1.00 0.18 H new ATOM 0 HA THR A 30 10.187 5.527 6.250 1.00 0.23 H new ATOM 0 HB THR A 30 10.486 3.222 7.131 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.283 3.870 9.218 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.736 2.486 7.866 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.705 2.789 6.113 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.441 3.982 7.209 1.00 0.28 H new ATOM 454 N TRP A 31 13.352 5.928 5.624 1.00 0.26 N ATOM 455 CA TRP A 31 14.472 6.907 5.770 1.00 0.32 C ATOM 456 C TRP A 31 14.266 8.079 4.812 1.00 0.32 C ATOM 457 O TRP A 31 14.869 9.122 4.957 1.00 0.36 O ATOM 458 CB TRP A 31 15.801 6.221 5.441 1.00 0.34 C ATOM 459 CG TRP A 31 15.835 5.828 3.999 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.538 4.597 3.522 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.185 6.644 2.845 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.687 4.603 2.145 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.080 5.840 1.678 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.580 7.992 2.696 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.357 6.358 0.404 1.00 0.32 C ATOM 466 CZ3 TRP A 31 16.859 8.517 1.418 1.00 0.44 C ATOM 467 CH2 TRP A 31 16.748 7.702 0.274 1.00 0.40 C ATOM 0 H TRP A 31 13.512 5.182 4.947 1.00 0.26 H new ATOM 0 HA TRP A 31 14.490 7.274 6.796 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.630 6.893 5.662 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.929 5.339 6.069 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.234 3.749 4.118 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.526 3.791 1.549 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.669 8.624 3.567 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.271 5.729 -0.470 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.159 9.549 1.315 1.00 0.44 H new ATOM 0 HH2 TRP A 31 16.963 8.110 -0.703 1.00 0.40 H new ATOM 478 N CYS A 32 13.430 7.912 3.826 1.00 0.28 N ATOM 479 CA CYS A 32 13.203 9.010 2.842 1.00 0.30 C ATOM 480 C CYS A 32 12.011 9.869 3.276 1.00 0.31 C ATOM 481 O CYS A 32 10.887 9.414 3.347 1.00 0.29 O ATOM 482 CB CYS A 32 12.949 8.383 1.466 1.00 0.28 C ATOM 483 SG CYS A 32 13.530 9.509 0.169 1.00 0.32 S ATOM 0 H CYS A 32 12.893 7.062 3.658 1.00 0.28 H new ATOM 0 HA CYS A 32 14.079 9.657 2.792 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.466 7.426 1.390 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.886 8.182 1.337 1.00 0.28 H new ATOM 488 N GLY A 33 12.269 11.114 3.569 1.00 0.34 N ATOM 489 CA GLY A 33 11.190 12.041 4.005 1.00 0.36 C ATOM 490 C GLY A 33 10.109 12.212 2.922 1.00 0.35 C ATOM 491 O GLY A 33 8.947 12.050 3.214 1.00 0.33 O ATOM 0 H GLY A 33 13.198 11.533 3.523 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.732 11.661 4.918 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.621 13.013 4.245 1.00 0.36 H new ATOM 495 N PRO A 34 10.499 12.562 1.710 1.00 0.37 N ATOM 496 CA PRO A 34 9.525 12.787 0.618 1.00 0.38 C ATOM 497 C PRO A 34 8.519 11.634 0.528 1.00 0.35 C ATOM 498 O PRO A 34 7.348 11.842 0.288 1.00 0.36 O ATOM 499 CB PRO A 34 10.389 12.902 -0.659 1.00 0.42 C ATOM 500 CG PRO A 34 11.854 13.121 -0.187 1.00 0.44 C ATOM 501 CD PRO A 34 11.912 12.755 1.316 1.00 0.40 C ATOM 0 HA PRO A 34 8.921 13.681 0.776 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.308 11.999 -1.264 1.00 0.42 H new ATOM 0 HB3 PRO A 34 10.054 13.733 -1.280 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.540 12.498 -0.761 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.157 14.156 -0.343 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.496 11.850 1.481 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.381 13.548 1.899 1.00 0.40 H new ATOM 509 N ALA A 35 8.952 10.426 0.720 1.00 0.33 N ATOM 510 CA ALA A 35 7.995 9.292 0.640 1.00 0.32 C ATOM 511 C ALA A 35 7.142 9.269 1.910 1.00 0.39 C ATOM 512 O ALA A 35 5.932 9.380 1.865 1.00 0.81 O ATOM 513 CB ALA A 35 8.771 7.981 0.517 1.00 0.36 C ATOM 0 H ALA A 35 9.918 10.173 0.927 1.00 0.33 H new ATOM 0 HA ALA A 35 7.351 9.411 -0.231 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.071 7.148 0.458 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.384 8.004 -0.384 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.413 7.855 1.389 1.00 0.36 H new ATOM 519 N LYS A 36 7.771 9.132 3.041 1.00 0.30 N ATOM 520 CA LYS A 36 7.023 9.103 4.328 1.00 0.28 C ATOM 521 C LYS A 36 6.254 10.415 4.526 1.00 0.24 C ATOM 522 O LYS A 36 5.336 10.495 5.318 1.00 0.25 O ATOM 523 CB LYS A 36 8.031 8.920 5.468 1.00 0.35 C ATOM 524 CG LYS A 36 7.293 8.611 6.774 1.00 0.38 C ATOM 525 CD LYS A 36 8.277 8.663 7.944 1.00 0.49 C ATOM 526 CE LYS A 36 7.532 8.372 9.247 1.00 1.22 C ATOM 527 NZ LYS A 36 8.492 8.402 10.387 1.00 1.92 N ATOM 0 H LYS A 36 8.783 9.038 3.131 1.00 0.30 H new ATOM 0 HA LYS A 36 6.307 8.281 4.319 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.720 8.110 5.229 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.630 9.823 5.584 1.00 0.35 H new ATOM 0 HG2 LYS A 36 6.490 9.331 6.929 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.831 7.625 6.718 1.00 0.38 H new ATOM 0 HD2 LYS A 36 9.073 7.933 7.797 1.00 0.49 H new ATOM 0 HD3 LYS A 36 8.749 9.644 7.993 1.00 0.49 H new ATOM 0 HE2 LYS A 36 6.745 9.110 9.401 1.00 1.22 H new ATOM 0 HE3 LYS A 36 7.048 7.397 9.191 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 7.985 8.204 11.273 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 9.227 7.681 10.241 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 8.934 9.342 10.444 1.00 1.92 H new ATOM 541 N MET A 37 6.621 11.449 3.824 1.00 0.23 N ATOM 542 CA MET A 37 5.915 12.749 3.999 1.00 0.24 C ATOM 543 C MET A 37 4.421 12.583 3.714 1.00 0.20 C ATOM 544 O MET A 37 3.613 13.396 4.118 1.00 0.20 O ATOM 545 CB MET A 37 6.503 13.802 3.051 1.00 0.29 C ATOM 546 CG MET A 37 5.811 15.151 3.280 1.00 1.31 C ATOM 547 SD MET A 37 6.871 16.483 2.666 1.00 2.12 S ATOM 548 CE MET A 37 7.829 16.731 4.182 1.00 3.13 C ATOM 0 H MET A 37 7.376 11.452 3.139 1.00 0.23 H new ATOM 0 HA MET A 37 6.048 13.079 5.029 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.575 13.899 3.221 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.372 13.487 2.016 1.00 0.29 H new ATOM 0 HG2 MET A 37 4.850 15.171 2.767 1.00 1.31 H new ATOM 0 HG3 MET A 37 5.609 15.293 4.342 1.00 1.31 H new ATOM 0 HE1 MET A 37 8.559 17.525 4.025 1.00 3.13 H new ATOM 0 HE2 MET A 37 7.158 17.010 4.995 1.00 3.13 H new ATOM 0 HE3 MET A 37 8.348 15.808 4.440 1.00 3.13 H new ATOM 558 N ILE A 38 4.042 11.540 3.014 1.00 0.18 N ATOM 559 CA ILE A 38 2.594 11.328 2.693 1.00 0.15 C ATOM 560 C ILE A 38 1.992 10.276 3.621 1.00 0.16 C ATOM 561 O ILE A 38 0.921 9.764 3.373 1.00 0.16 O ATOM 562 CB ILE A 38 2.460 10.871 1.236 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.059 11.961 0.332 1.00 0.17 C ATOM 564 CG2 ILE A 38 0.971 10.655 0.882 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.258 11.430 -1.106 1.00 0.28 C ATOM 0 H ILE A 38 4.673 10.826 2.651 1.00 0.18 H new ATOM 0 HA ILE A 38 2.057 12.266 2.835 1.00 0.15 H new ATOM 0 HB ILE A 38 2.988 9.929 1.091 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.401 12.830 0.316 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.015 12.293 0.738 1.00 0.17 H new ATOM 0 HG21 ILE A 38 0.887 10.331 -0.155 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.548 9.892 1.536 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.426 11.590 1.015 1.00 0.17 H new ATOM 0 HD11 ILE A 38 3.683 12.217 -1.729 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.935 10.576 -1.088 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.296 11.122 -1.516 1.00 0.28 H new ATOM 577 N LYS A 39 2.654 9.945 4.696 1.00 0.19 N ATOM 578 CA LYS A 39 2.066 8.925 5.604 1.00 0.22 C ATOM 579 C LYS A 39 0.803 9.436 6.330 1.00 0.20 C ATOM 580 O LYS A 39 -0.060 8.641 6.618 1.00 0.21 O ATOM 581 CB LYS A 39 3.112 8.358 6.602 1.00 0.31 C ATOM 582 CG LYS A 39 3.375 9.289 7.812 1.00 0.34 C ATOM 583 CD LYS A 39 3.951 8.473 8.992 1.00 0.45 C ATOM 584 CE LYS A 39 2.915 7.457 9.525 1.00 1.16 C ATOM 585 NZ LYS A 39 3.325 6.082 9.114 1.00 1.62 N ATOM 0 H LYS A 39 3.556 10.327 4.979 1.00 0.19 H new ATOM 0 HA LYS A 39 1.748 8.099 4.968 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.768 7.390 6.966 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.050 8.186 6.075 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.073 10.078 7.530 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.448 9.777 8.114 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.849 7.946 8.670 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.248 9.148 9.794 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.849 7.521 10.611 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.925 7.688 9.132 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.479 5.518 8.897 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.930 6.138 8.270 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.852 5.631 9.889 1.00 1.62 H new ATOM 599 N PRO A 40 0.697 10.716 6.646 1.00 0.20 N ATOM 600 CA PRO A 40 -0.491 11.190 7.375 1.00 0.21 C ATOM 601 C PRO A 40 -1.751 10.980 6.526 1.00 0.17 C ATOM 602 O PRO A 40 -2.855 11.207 6.979 1.00 0.20 O ATOM 603 CB PRO A 40 -0.221 12.680 7.669 1.00 0.24 C ATOM 604 CG PRO A 40 1.212 12.998 7.152 1.00 0.25 C ATOM 605 CD PRO A 40 1.678 11.783 6.323 1.00 0.21 C ATOM 0 HA PRO A 40 -0.664 10.643 8.301 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.958 13.310 7.172 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.298 12.882 8.737 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.209 13.902 6.542 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.891 13.178 7.986 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.683 12.008 5.257 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.692 11.485 6.591 1.00 0.21 H new ATOM 613 N PHE A 41 -1.591 10.538 5.303 1.00 0.14 N ATOM 614 CA PHE A 41 -2.773 10.294 4.416 1.00 0.14 C ATOM 615 C PHE A 41 -2.942 8.789 4.206 1.00 0.11 C ATOM 616 O PHE A 41 -3.801 8.170 4.795 1.00 0.13 O ATOM 617 CB PHE A 41 -2.544 10.982 3.069 1.00 0.15 C ATOM 618 CG PHE A 41 -2.846 12.452 3.219 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.863 13.324 3.725 1.00 0.19 C ATOM 620 CD2 PHE A 41 -4.115 12.946 2.867 1.00 0.26 C ATOM 621 CE1 PHE A 41 -2.151 14.696 3.873 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.404 14.316 3.017 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.422 15.191 3.519 1.00 0.27 C ATOM 0 H PHE A 41 -0.687 10.334 4.877 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.673 10.698 4.879 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.514 10.839 2.742 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.185 10.541 2.306 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.891 12.943 3.999 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.868 12.274 2.482 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.398 15.368 4.258 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.379 14.695 2.747 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.643 16.242 3.633 1.00 0.27 H new ATOM 633 N PHE A 42 -2.128 8.202 3.372 1.00 0.10 N ATOM 634 CA PHE A 42 -2.234 6.736 3.108 1.00 0.11 C ATOM 635 C PHE A 42 -2.483 5.964 4.412 1.00 0.11 C ATOM 636 O PHE A 42 -3.451 5.240 4.538 1.00 0.12 O ATOM 637 CB PHE A 42 -0.933 6.253 2.466 1.00 0.13 C ATOM 638 CG PHE A 42 -0.958 4.751 2.340 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.672 4.159 1.287 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.270 3.943 3.269 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.701 2.761 1.157 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.301 2.542 3.139 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.017 1.950 2.081 1.00 0.10 C ATOM 0 H PHE A 42 -1.387 8.678 2.857 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.074 6.556 2.438 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.810 6.708 1.483 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.081 6.563 3.070 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.199 4.778 0.577 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.280 4.399 4.079 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.250 2.307 0.345 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.224 1.921 3.850 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.041 0.875 1.979 1.00 0.10 H new ATOM 653 N HIS A 43 -1.621 6.104 5.379 1.00 0.14 N ATOM 654 CA HIS A 43 -1.815 5.370 6.663 1.00 0.16 C ATOM 655 C HIS A 43 -3.068 5.895 7.386 1.00 0.16 C ATOM 656 O HIS A 43 -3.745 5.156 8.072 1.00 0.18 O ATOM 657 CB HIS A 43 -0.538 5.518 7.527 1.00 0.21 C ATOM 658 CG HIS A 43 -0.850 5.430 9.001 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.742 4.246 9.714 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.300 6.370 9.896 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.124 4.501 10.978 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.474 5.780 11.144 1.00 0.39 N ATOM 0 H HIS A 43 -0.790 6.694 5.337 1.00 0.14 H new ATOM 0 HA HIS A 43 -1.975 4.309 6.472 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.176 4.739 7.259 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.062 6.475 7.312 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.490 7.408 9.666 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.145 3.761 11.764 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.799 6.227 12.001 1.00 0.39 H new ATOM 670 N SER A 44 -3.393 7.149 7.233 1.00 0.20 N ATOM 671 CA SER A 44 -4.609 7.684 7.913 1.00 0.25 C ATOM 672 C SER A 44 -5.868 7.001 7.355 1.00 0.20 C ATOM 673 O SER A 44 -6.795 6.703 8.084 1.00 0.21 O ATOM 674 CB SER A 44 -4.692 9.196 7.693 1.00 0.34 C ATOM 675 OG SER A 44 -3.841 9.847 8.626 1.00 0.97 O ATOM 0 H SER A 44 -2.874 7.824 6.671 1.00 0.20 H new ATOM 0 HA SER A 44 -4.544 7.478 8.981 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.394 9.445 6.674 1.00 0.34 H new ATOM 0 HB3 SER A 44 -5.719 9.539 7.818 1.00 0.34 H new ATOM 0 HG SER A 44 -3.492 10.673 8.230 1.00 0.97 H new ATOM 681 N LEU A 45 -5.916 6.754 6.071 1.00 0.18 N ATOM 682 CA LEU A 45 -7.123 6.098 5.483 1.00 0.18 C ATOM 683 C LEU A 45 -7.475 4.844 6.288 1.00 0.16 C ATOM 684 O LEU A 45 -8.539 4.279 6.137 1.00 0.23 O ATOM 685 CB LEU A 45 -6.846 5.696 4.027 1.00 0.19 C ATOM 686 CG LEU A 45 -6.495 6.931 3.182 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.228 6.488 1.738 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.660 7.941 3.210 1.00 0.50 C ATOM 0 H LEU A 45 -5.175 6.977 5.406 1.00 0.18 H new ATOM 0 HA LEU A 45 -7.955 6.802 5.515 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.025 4.979 3.992 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.721 5.199 3.608 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.606 7.411 3.592 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.978 7.358 1.131 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.397 5.783 1.721 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.119 6.008 1.334 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.401 8.812 2.608 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.557 7.473 2.804 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.847 8.253 4.238 1.00 0.50 H new ATOM 700 N SER A 46 -6.593 4.402 7.141 1.00 0.20 N ATOM 701 CA SER A 46 -6.890 3.185 7.947 1.00 0.25 C ATOM 702 C SER A 46 -8.186 3.393 8.736 1.00 0.17 C ATOM 703 O SER A 46 -8.970 2.482 8.909 1.00 0.15 O ATOM 704 CB SER A 46 -5.739 2.921 8.920 1.00 0.36 C ATOM 705 OG SER A 46 -4.516 2.869 8.199 1.00 0.51 O ATOM 0 H SER A 46 -5.683 4.829 7.314 1.00 0.20 H new ATOM 0 HA SER A 46 -7.005 2.331 7.279 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.697 3.708 9.673 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.903 1.982 9.449 1.00 0.36 H new ATOM 0 HG SER A 46 -3.976 3.658 8.414 1.00 0.51 H new ATOM 711 N GLU A 47 -8.413 4.586 9.225 1.00 0.21 N ATOM 712 CA GLU A 47 -9.654 4.854 10.016 1.00 0.21 C ATOM 713 C GLU A 47 -10.745 5.428 9.112 1.00 0.18 C ATOM 714 O GLU A 47 -11.897 5.500 9.490 1.00 0.18 O ATOM 715 CB GLU A 47 -9.337 5.866 11.118 1.00 0.32 C ATOM 716 CG GLU A 47 -8.048 5.454 11.829 1.00 0.39 C ATOM 717 CD GLU A 47 -7.906 6.251 13.125 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.503 7.311 13.214 1.00 1.98 O ATOM 719 OE2 GLU A 47 -7.204 5.787 14.008 1.00 2.00 O ATOM 0 H GLU A 47 -7.792 5.387 9.111 1.00 0.21 H new ATOM 0 HA GLU A 47 -10.006 3.919 10.451 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.227 6.863 10.691 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.160 5.913 11.831 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -8.065 4.386 12.046 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.189 5.634 11.182 1.00 0.39 H new ATOM 726 N LYS A 48 -10.400 5.845 7.925 1.00 0.18 N ATOM 727 CA LYS A 48 -11.430 6.421 7.009 1.00 0.17 C ATOM 728 C LYS A 48 -12.036 5.306 6.153 1.00 0.15 C ATOM 729 O LYS A 48 -13.167 5.392 5.719 1.00 0.18 O ATOM 730 CB LYS A 48 -10.771 7.468 6.096 1.00 0.21 C ATOM 731 CG LYS A 48 -11.843 8.416 5.508 1.00 0.26 C ATOM 732 CD LYS A 48 -12.027 9.651 6.412 1.00 1.09 C ATOM 733 CE LYS A 48 -10.884 10.667 6.204 1.00 1.51 C ATOM 734 NZ LYS A 48 -9.763 10.356 7.134 1.00 2.16 N ATOM 0 H LYS A 48 -9.453 5.813 7.549 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.217 6.893 7.597 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.037 8.043 6.661 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.233 6.970 5.289 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -11.548 8.731 4.507 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.790 7.886 5.409 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -12.984 10.126 6.194 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -12.056 9.340 7.456 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -10.535 10.630 5.172 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -11.247 11.679 6.382 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -9.391 11.240 7.537 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -10.108 9.744 7.901 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -9.006 9.867 6.614 1.00 2.16 H new ATOM 748 N TYR A 49 -11.285 4.259 5.910 1.00 0.13 N ATOM 749 CA TYR A 49 -11.799 3.123 5.081 1.00 0.13 C ATOM 750 C TYR A 49 -11.518 1.807 5.807 1.00 0.11 C ATOM 751 O TYR A 49 -10.659 1.040 5.417 1.00 0.11 O ATOM 752 CB TYR A 49 -11.091 3.122 3.719 1.00 0.15 C ATOM 753 CG TYR A 49 -11.724 4.155 2.819 1.00 0.16 C ATOM 754 CD1 TYR A 49 -12.944 3.869 2.180 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.101 5.402 2.624 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.543 4.828 1.345 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.698 6.364 1.791 1.00 0.20 C ATOM 758 CZ TYR A 49 -12.920 6.078 1.148 1.00 0.21 C ATOM 759 OH TYR A 49 -13.507 7.020 0.330 1.00 0.24 O ATOM 0 H TYR A 49 -10.331 4.142 6.253 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.872 3.234 4.928 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.031 3.339 3.849 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.161 2.135 3.262 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.421 2.912 2.331 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.164 5.620 3.115 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.480 4.608 0.855 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.221 7.322 1.644 1.00 0.20 H new ATOM 0 HH TYR A 49 -12.948 7.825 0.305 1.00 0.24 H new ATOM 769 N SER A 50 -12.241 1.538 6.857 1.00 0.12 N ATOM 770 CA SER A 50 -12.024 0.271 7.606 1.00 0.13 C ATOM 771 C SER A 50 -12.436 -0.910 6.727 1.00 0.13 C ATOM 772 O SER A 50 -12.280 -2.057 7.095 1.00 0.14 O ATOM 773 CB SER A 50 -12.876 0.284 8.875 1.00 0.16 C ATOM 774 OG SER A 50 -14.252 0.292 8.515 1.00 0.17 O ATOM 0 H SER A 50 -12.974 2.142 7.229 1.00 0.12 H new ATOM 0 HA SER A 50 -10.972 0.176 7.874 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.653 -0.591 9.486 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.640 1.162 9.477 1.00 0.16 H new ATOM 0 HG SER A 50 -14.802 0.299 9.326 1.00 0.17 H new ATOM 780 N ASN A 51 -12.969 -0.635 5.567 1.00 0.13 N ATOM 781 CA ASN A 51 -13.405 -1.730 4.653 1.00 0.15 C ATOM 782 C ASN A 51 -12.304 -2.023 3.632 1.00 0.13 C ATOM 783 O ASN A 51 -12.425 -2.923 2.823 1.00 0.14 O ATOM 784 CB ASN A 51 -14.673 -1.286 3.920 1.00 0.17 C ATOM 785 CG ASN A 51 -15.207 -2.441 3.071 1.00 0.20 C ATOM 786 OD1 ASN A 51 -16.136 -3.119 3.462 1.00 0.34 O ATOM 787 ND2 ASN A 51 -14.656 -2.696 1.916 1.00 0.32 N ATOM 0 H ASN A 51 -13.122 0.308 5.211 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.604 -2.632 5.231 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.429 -0.970 4.639 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.457 -0.426 3.287 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -15.005 -3.464 1.343 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -13.876 -2.127 1.586 1.00 0.32 H new ATOM 794 N VAL A 52 -11.231 -1.271 3.663 1.00 0.11 N ATOM 795 CA VAL A 52 -10.108 -1.497 2.694 1.00 0.10 C ATOM 796 C VAL A 52 -8.856 -1.932 3.453 1.00 0.10 C ATOM 797 O VAL A 52 -8.648 -1.565 4.591 1.00 0.11 O ATOM 798 CB VAL A 52 -9.807 -0.195 1.954 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.592 -0.392 1.041 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.024 0.208 1.118 1.00 0.12 C ATOM 0 H VAL A 52 -11.082 -0.506 4.321 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.397 -2.272 1.984 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.588 0.592 2.675 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.379 0.538 0.514 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.728 -0.675 1.642 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.804 -1.179 0.317 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.811 1.137 0.589 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.246 -0.578 0.396 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.884 0.352 1.773 1.00 0.12 H new ATOM 810 N ILE A 53 -8.019 -2.716 2.823 1.00 0.09 N ATOM 811 CA ILE A 53 -6.769 -3.190 3.491 1.00 0.09 C ATOM 812 C ILE A 53 -5.584 -2.341 3.016 1.00 0.09 C ATOM 813 O ILE A 53 -5.386 -2.145 1.833 1.00 0.14 O ATOM 814 CB ILE A 53 -6.523 -4.660 3.112 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.851 -5.444 3.109 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.524 -5.301 4.085 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.612 -5.283 4.435 1.00 0.17 C ATOM 0 H ILE A 53 -8.149 -3.050 1.868 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.873 -3.098 4.572 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.100 -4.694 2.108 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.476 -5.097 2.287 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.649 -6.500 2.932 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.359 -6.341 3.805 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.578 -4.760 4.044 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.924 -5.257 5.098 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.542 -5.850 4.392 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -7.997 -5.655 5.255 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.837 -4.229 4.600 1.00 0.17 H new ATOM 829 N PHE A 54 -4.795 -1.842 3.935 1.00 0.08 N ATOM 830 CA PHE A 54 -3.608 -1.005 3.564 1.00 0.08 C ATOM 831 C PHE A 54 -2.330 -1.734 3.978 1.00 0.08 C ATOM 832 O PHE A 54 -2.218 -2.225 5.082 1.00 0.11 O ATOM 833 CB PHE A 54 -3.682 0.333 4.300 1.00 0.08 C ATOM 834 CG PHE A 54 -4.897 1.094 3.824 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.933 1.607 2.514 1.00 0.09 C ATOM 836 CD2 PHE A 54 -5.995 1.287 4.686 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.066 2.314 2.064 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.127 1.993 4.236 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.163 2.506 2.925 1.00 0.09 C ATOM 0 H PHE A 54 -4.923 -1.979 4.938 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.604 -0.833 2.488 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.740 0.167 5.376 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.778 0.914 4.115 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.092 1.459 1.853 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.968 0.894 5.691 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.093 2.708 1.059 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.968 2.141 4.897 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.032 3.047 2.580 1.00 0.09 H new ATOM 849 N LEU A 55 -1.368 -1.808 3.096 1.00 0.08 N ATOM 850 CA LEU A 55 -0.081 -2.507 3.416 1.00 0.09 C ATOM 851 C LEU A 55 1.047 -1.472 3.445 1.00 0.09 C ATOM 852 O LEU A 55 0.870 -0.330 3.069 1.00 0.10 O ATOM 853 CB LEU A 55 0.224 -3.555 2.326 1.00 0.10 C ATOM 854 CG LEU A 55 -0.555 -4.855 2.582 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.053 -4.561 2.789 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.368 -5.785 1.374 1.00 0.12 C ATOM 0 H LEU A 55 -1.416 -1.411 2.158 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.162 -3.004 4.383 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.040 -3.155 1.347 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.293 -3.765 2.307 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.175 -5.331 3.486 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.586 -5.495 2.969 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.179 -3.901 3.647 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.456 -4.079 1.898 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.915 -6.713 1.541 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.747 -5.296 0.476 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.691 -6.007 1.246 1.00 0.12 H new ATOM 868 N GLU A 56 2.212 -1.873 3.875 1.00 0.09 N ATOM 869 CA GLU A 56 3.375 -0.938 3.922 1.00 0.09 C ATOM 870 C GLU A 56 4.619 -1.724 3.514 1.00 0.09 C ATOM 871 O GLU A 56 4.780 -2.869 3.889 1.00 0.10 O ATOM 872 CB GLU A 56 3.542 -0.389 5.344 1.00 0.09 C ATOM 873 CG GLU A 56 4.528 0.783 5.334 1.00 0.11 C ATOM 874 CD GLU A 56 4.502 1.485 6.693 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.449 1.971 7.069 1.00 1.24 O ATOM 876 OE2 GLU A 56 5.539 1.526 7.337 1.00 1.31 O ATOM 0 H GLU A 56 2.411 -2.819 4.200 1.00 0.09 H new ATOM 0 HA GLU A 56 3.220 -0.097 3.247 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.578 -0.062 5.733 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.903 -1.175 6.007 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.534 0.424 5.118 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.265 1.487 4.544 1.00 0.11 H new ATOM 883 N VAL A 57 5.488 -1.140 2.725 1.00 0.08 N ATOM 884 CA VAL A 57 6.705 -1.885 2.268 1.00 0.08 C ATOM 885 C VAL A 57 7.942 -0.984 2.304 1.00 0.09 C ATOM 886 O VAL A 57 7.911 0.160 1.887 1.00 0.14 O ATOM 887 CB VAL A 57 6.482 -2.368 0.831 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.646 -3.266 0.411 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.176 -3.156 0.751 1.00 0.09 C ATOM 0 H VAL A 57 5.409 -0.184 2.378 1.00 0.08 H new ATOM 0 HA VAL A 57 6.869 -2.730 2.936 1.00 0.08 H new ATOM 0 HB VAL A 57 6.425 -1.508 0.164 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.489 -3.611 -0.611 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.578 -2.703 0.465 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.702 -4.125 1.079 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.020 -3.498 -0.272 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.229 -4.017 1.418 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.346 -2.516 1.050 1.00 0.09 H new ATOM 899 N ASP A 58 9.040 -1.514 2.785 1.00 0.09 N ATOM 900 CA ASP A 58 10.312 -0.731 2.845 1.00 0.09 C ATOM 901 C ASP A 58 11.174 -1.122 1.640 1.00 0.10 C ATOM 902 O ASP A 58 11.773 -2.178 1.608 1.00 0.11 O ATOM 903 CB ASP A 58 11.053 -1.065 4.145 1.00 0.11 C ATOM 904 CG ASP A 58 12.100 0.012 4.434 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.709 1.107 4.803 1.00 1.06 O ATOM 906 OD2 ASP A 58 13.276 -0.275 4.282 1.00 1.08 O ATOM 0 H ASP A 58 9.109 -2.467 3.142 1.00 0.09 H new ATOM 0 HA ASP A 58 10.103 0.338 2.822 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.346 -1.129 4.972 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.534 -2.040 4.061 1.00 0.11 H new ATOM 911 N VAL A 59 11.216 -0.290 0.637 1.00 0.12 N ATOM 912 CA VAL A 59 12.007 -0.615 -0.587 1.00 0.15 C ATOM 913 C VAL A 59 13.494 -0.785 -0.267 1.00 0.18 C ATOM 914 O VAL A 59 14.289 -1.040 -1.150 1.00 0.27 O ATOM 915 CB VAL A 59 11.844 0.513 -1.607 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.413 0.515 -2.156 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.136 1.853 -0.929 1.00 0.22 C ATOM 0 H VAL A 59 10.733 0.608 0.611 1.00 0.12 H new ATOM 0 HA VAL A 59 11.633 -1.556 -0.991 1.00 0.15 H new ATOM 0 HB VAL A 59 12.541 0.360 -2.431 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.303 1.321 -2.882 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.208 -0.440 -2.640 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.709 0.666 -1.337 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.021 2.660 -1.653 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.439 2.003 -0.104 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.156 1.852 -0.546 1.00 0.22 H new ATOM 927 N ASP A 60 13.887 -0.625 0.971 1.00 0.16 N ATOM 928 CA ASP A 60 15.339 -0.752 1.328 1.00 0.18 C ATOM 929 C ASP A 60 15.575 -1.948 2.257 1.00 0.17 C ATOM 930 O ASP A 60 16.576 -2.630 2.152 1.00 0.18 O ATOM 931 CB ASP A 60 15.776 0.527 2.032 1.00 0.21 C ATOM 932 CG ASP A 60 15.580 1.719 1.094 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.445 1.942 0.263 1.00 1.08 O ATOM 934 OD2 ASP A 60 14.569 2.387 1.223 1.00 1.11 O ATOM 0 H ASP A 60 13.267 -0.412 1.753 1.00 0.16 H new ATOM 0 HA ASP A 60 15.917 -0.909 0.417 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.196 0.669 2.944 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.822 0.452 2.328 1.00 0.21 H new ATOM 939 N ASP A 61 14.679 -2.204 3.174 1.00 0.17 N ATOM 940 CA ASP A 61 14.873 -3.351 4.118 1.00 0.17 C ATOM 941 C ASP A 61 14.142 -4.593 3.584 1.00 0.16 C ATOM 942 O ASP A 61 14.380 -5.697 4.035 1.00 0.18 O ATOM 943 CB ASP A 61 14.331 -2.952 5.502 1.00 0.19 C ATOM 944 CG ASP A 61 14.086 -4.194 6.366 1.00 0.22 C ATOM 945 OD1 ASP A 61 14.968 -5.034 6.426 1.00 1.07 O ATOM 946 OD2 ASP A 61 13.018 -4.282 6.951 1.00 1.12 O ATOM 0 H ASP A 61 13.821 -1.670 3.312 1.00 0.17 H new ATOM 0 HA ASP A 61 15.933 -3.591 4.205 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.041 -2.291 5.999 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.402 -2.394 5.387 1.00 0.19 H new ATOM 951 N ALA A 62 13.268 -4.423 2.620 1.00 0.16 N ATOM 952 CA ALA A 62 12.527 -5.591 2.038 1.00 0.16 C ATOM 953 C ALA A 62 12.733 -5.597 0.524 1.00 0.16 C ATOM 954 O ALA A 62 11.794 -5.627 -0.246 1.00 0.15 O ATOM 955 CB ALA A 62 11.033 -5.465 2.346 1.00 0.17 C ATOM 0 H ALA A 62 13.034 -3.520 2.208 1.00 0.16 H new ATOM 0 HA ALA A 62 12.903 -6.517 2.472 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.501 -6.316 1.921 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.884 -5.447 3.426 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.648 -4.542 1.911 1.00 0.17 H new ATOM 961 N GLN A 63 13.962 -5.553 0.095 1.00 0.20 N ATOM 962 CA GLN A 63 14.247 -5.540 -1.369 1.00 0.22 C ATOM 963 C GLN A 63 13.558 -6.726 -2.052 1.00 0.20 C ATOM 964 O GLN A 63 13.381 -6.730 -3.242 1.00 0.20 O ATOM 965 CB GLN A 63 15.775 -5.629 -1.597 1.00 0.29 C ATOM 966 CG GLN A 63 16.365 -4.230 -1.806 1.00 0.90 C ATOM 967 CD GLN A 63 17.858 -4.344 -2.121 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.480 -3.379 -2.520 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.463 -5.489 -1.960 1.00 2.22 N ATOM 0 H GLN A 63 14.786 -5.525 0.696 1.00 0.20 H new ATOM 0 HA GLN A 63 13.865 -4.613 -1.797 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.250 -6.107 -0.740 1.00 0.29 H new ATOM 0 HB3 GLN A 63 15.984 -6.253 -2.466 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.848 -3.725 -2.622 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.217 -3.625 -0.912 1.00 0.90 H new ATOM 0 HE21 GLN A 63 17.941 -6.299 -1.625 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.458 -5.574 -2.169 1.00 2.22 H new ATOM 978 N ASP A 64 13.183 -7.738 -1.334 1.00 0.19 N ATOM 979 CA ASP A 64 12.539 -8.893 -2.012 1.00 0.20 C ATOM 980 C ASP A 64 11.167 -8.484 -2.552 1.00 0.17 C ATOM 981 O ASP A 64 10.781 -8.873 -3.635 1.00 0.19 O ATOM 982 CB ASP A 64 12.386 -10.052 -1.023 1.00 0.22 C ATOM 983 CG ASP A 64 11.950 -9.512 0.341 1.00 0.23 C ATOM 984 OD1 ASP A 64 11.629 -8.337 0.417 1.00 1.09 O ATOM 985 OD2 ASP A 64 11.944 -10.282 1.287 1.00 1.11 O ATOM 0 H ASP A 64 13.290 -7.819 -0.323 1.00 0.19 H new ATOM 0 HA ASP A 64 13.165 -9.213 -2.845 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.650 -10.765 -1.395 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.330 -10.588 -0.928 1.00 0.22 H new ATOM 990 N VAL A 65 10.429 -7.702 -1.820 1.00 0.15 N ATOM 991 CA VAL A 65 9.096 -7.280 -2.320 1.00 0.16 C ATOM 992 C VAL A 65 9.292 -6.237 -3.421 1.00 0.16 C ATOM 993 O VAL A 65 8.711 -6.319 -4.486 1.00 0.19 O ATOM 994 CB VAL A 65 8.291 -6.673 -1.171 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.839 -6.475 -1.613 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.335 -7.617 0.034 1.00 0.18 C ATOM 0 H VAL A 65 10.689 -7.339 -0.903 1.00 0.15 H new ATOM 0 HA VAL A 65 8.556 -8.139 -2.718 1.00 0.16 H new ATOM 0 HB VAL A 65 8.720 -5.710 -0.895 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.265 -6.042 -0.794 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.808 -5.804 -2.472 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.408 -7.437 -1.889 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.762 -7.186 0.855 1.00 0.18 H new ATOM 0 HG22 VAL A 65 7.906 -8.580 -0.242 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.369 -7.758 0.348 1.00 0.18 H new ATOM 1006 N ALA A 66 10.111 -5.256 -3.167 1.00 0.16 N ATOM 1007 CA ALA A 66 10.365 -4.196 -4.183 1.00 0.18 C ATOM 1008 C ALA A 66 11.087 -4.785 -5.397 1.00 0.19 C ATOM 1009 O ALA A 66 10.806 -4.432 -6.524 1.00 0.20 O ATOM 1010 CB ALA A 66 11.238 -3.110 -3.563 1.00 0.22 C ATOM 0 H ALA A 66 10.620 -5.142 -2.291 1.00 0.16 H new ATOM 0 HA ALA A 66 9.412 -3.777 -4.505 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.428 -2.331 -4.301 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.726 -2.678 -2.703 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.185 -3.544 -3.241 1.00 0.22 H new ATOM 1016 N SER A 67 12.026 -5.666 -5.181 1.00 0.21 N ATOM 1017 CA SER A 67 12.765 -6.247 -6.337 1.00 0.26 C ATOM 1018 C SER A 67 11.799 -7.040 -7.216 1.00 0.26 C ATOM 1019 O SER A 67 11.844 -6.964 -8.427 1.00 0.29 O ATOM 1020 CB SER A 67 13.898 -7.153 -5.856 1.00 0.31 C ATOM 1021 OG SER A 67 14.673 -7.550 -6.975 1.00 1.29 O ATOM 0 H SER A 67 12.311 -6.006 -4.263 1.00 0.21 H new ATOM 0 HA SER A 67 13.201 -5.434 -6.917 1.00 0.26 H new ATOM 0 HB2 SER A 67 14.521 -6.626 -5.133 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.492 -8.028 -5.349 1.00 0.31 H new ATOM 0 HG SER A 67 15.404 -8.131 -6.677 1.00 1.29 H new ATOM 1027 N GLU A 68 10.921 -7.796 -6.621 1.00 0.26 N ATOM 1028 CA GLU A 68 9.953 -8.580 -7.432 1.00 0.30 C ATOM 1029 C GLU A 68 9.052 -7.617 -8.210 1.00 0.31 C ATOM 1030 O GLU A 68 8.706 -7.858 -9.349 1.00 0.36 O ATOM 1031 CB GLU A 68 9.098 -9.453 -6.509 1.00 0.31 C ATOM 1032 CG GLU A 68 8.168 -10.346 -7.344 1.00 0.39 C ATOM 1033 CD GLU A 68 6.965 -9.537 -7.843 1.00 1.43 C ATOM 1034 OE1 GLU A 68 6.630 -8.550 -7.208 1.00 2.20 O ATOM 1035 OE2 GLU A 68 6.399 -9.921 -8.853 1.00 2.19 O ATOM 0 H GLU A 68 10.832 -7.904 -5.611 1.00 0.26 H new ATOM 0 HA GLU A 68 10.493 -9.219 -8.130 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.740 -10.070 -5.880 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.509 -8.823 -5.842 1.00 0.31 H new ATOM 0 HG2 GLU A 68 8.714 -10.760 -8.192 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.825 -11.189 -6.743 1.00 0.39 H new ATOM 1042 N ALA A 69 8.664 -6.526 -7.600 1.00 0.29 N ATOM 1043 CA ALA A 69 7.778 -5.547 -8.303 1.00 0.31 C ATOM 1044 C ALA A 69 8.630 -4.545 -9.090 1.00 0.29 C ATOM 1045 O ALA A 69 8.115 -3.658 -9.741 1.00 0.33 O ATOM 1046 CB ALA A 69 6.933 -4.797 -7.272 1.00 0.31 C ATOM 0 H ALA A 69 8.922 -6.270 -6.647 1.00 0.29 H new ATOM 0 HA ALA A 69 7.126 -6.083 -8.993 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.286 -4.083 -7.782 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.321 -5.508 -6.716 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.588 -4.265 -6.582 1.00 0.31 H new ATOM 1052 N GLU A 70 9.926 -4.682 -9.041 1.00 0.27 N ATOM 1053 CA GLU A 70 10.810 -3.741 -9.790 1.00 0.29 C ATOM 1054 C GLU A 70 10.387 -2.291 -9.524 1.00 0.25 C ATOM 1055 O GLU A 70 10.111 -1.538 -10.436 1.00 0.26 O ATOM 1056 CB GLU A 70 10.707 -4.030 -11.291 1.00 0.38 C ATOM 1057 CG GLU A 70 11.353 -5.383 -11.606 1.00 1.18 C ATOM 1058 CD GLU A 70 10.437 -6.509 -11.124 1.00 1.61 C ATOM 1059 OE1 GLU A 70 9.237 -6.394 -11.318 1.00 2.06 O ATOM 1060 OE2 GLU A 70 10.949 -7.468 -10.571 1.00 2.34 O ATOM 0 H GLU A 70 10.414 -5.406 -8.514 1.00 0.27 H new ATOM 0 HA GLU A 70 11.838 -3.880 -9.455 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.661 -4.036 -11.598 1.00 0.38 H new ATOM 0 HB3 GLU A 70 11.201 -3.240 -11.857 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.527 -5.475 -12.678 1.00 1.18 H new ATOM 0 HG3 GLU A 70 12.325 -5.456 -11.118 1.00 1.18 H new ATOM 1067 N VAL A 71 10.349 -1.892 -8.282 1.00 0.22 N ATOM 1068 CA VAL A 71 9.960 -0.488 -7.954 1.00 0.19 C ATOM 1069 C VAL A 71 11.162 0.430 -8.197 1.00 0.23 C ATOM 1070 O VAL A 71 12.266 0.132 -7.786 1.00 0.28 O ATOM 1071 CB VAL A 71 9.532 -0.409 -6.489 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.825 0.924 -6.243 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.565 -1.551 -6.179 1.00 0.19 C ATOM 0 H VAL A 71 10.571 -2.478 -7.477 1.00 0.22 H new ATOM 0 HA VAL A 71 9.128 -0.174 -8.585 1.00 0.19 H new ATOM 0 HB VAL A 71 10.410 -0.488 -5.848 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.517 0.986 -5.199 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.506 1.744 -6.470 1.00 0.19 H new ATOM 0 HG13 VAL A 71 7.947 0.994 -6.885 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.259 -1.495 -5.134 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.687 -1.468 -6.819 1.00 0.19 H new ATOM 0 HG23 VAL A 71 9.058 -2.505 -6.362 1.00 0.19 H new ATOM 1083 N LYS A 72 10.961 1.539 -8.875 1.00 0.24 N ATOM 1084 CA LYS A 72 12.100 2.476 -9.163 1.00 0.29 C ATOM 1085 C LYS A 72 11.724 3.910 -8.769 1.00 0.26 C ATOM 1086 O LYS A 72 12.486 4.834 -8.980 1.00 0.27 O ATOM 1087 CB LYS A 72 12.416 2.435 -10.661 1.00 0.35 C ATOM 1088 CG LYS A 72 13.097 1.107 -11.005 1.00 0.43 C ATOM 1089 CD LYS A 72 13.589 1.140 -12.457 1.00 1.16 C ATOM 1090 CE LYS A 72 12.399 1.268 -13.419 1.00 1.66 C ATOM 1091 NZ LYS A 72 12.028 2.704 -13.559 1.00 2.40 N ATOM 0 H LYS A 72 10.057 1.836 -9.242 1.00 0.24 H new ATOM 0 HA LYS A 72 12.970 2.165 -8.585 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.499 2.546 -11.240 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.065 3.269 -10.929 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.935 0.932 -10.331 1.00 0.43 H new ATOM 0 HG3 LYS A 72 12.398 0.282 -10.866 1.00 0.43 H new ATOM 0 HD2 LYS A 72 14.271 1.978 -12.598 1.00 1.16 H new ATOM 0 HD3 LYS A 72 14.149 0.232 -12.679 1.00 1.16 H new ATOM 0 HE2 LYS A 72 12.658 0.851 -14.392 1.00 1.66 H new ATOM 0 HE3 LYS A 72 11.550 0.697 -13.043 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 11.090 2.863 -13.138 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 12.731 3.294 -13.070 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 12.003 2.959 -14.567 1.00 2.40 H new ATOM 1105 N ALA A 73 10.567 4.110 -8.196 1.00 0.22 N ATOM 1106 CA ALA A 73 10.165 5.495 -7.787 1.00 0.20 C ATOM 1107 C ALA A 73 9.188 5.416 -6.606 1.00 0.18 C ATOM 1108 O ALA A 73 8.157 4.788 -6.696 1.00 0.16 O ATOM 1109 CB ALA A 73 9.492 6.202 -8.977 1.00 0.21 C ATOM 0 H ALA A 73 9.883 3.381 -7.993 1.00 0.22 H new ATOM 0 HA ALA A 73 11.047 6.060 -7.484 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.198 7.210 -8.683 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.192 6.257 -9.811 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.608 5.641 -9.281 1.00 0.21 H new ATOM 1115 N THR A 74 9.507 6.054 -5.498 1.00 0.18 N ATOM 1116 CA THR A 74 8.595 6.017 -4.304 1.00 0.17 C ATOM 1117 C THR A 74 7.953 7.407 -4.117 1.00 0.17 C ATOM 1118 O THR A 74 8.576 8.399 -4.443 1.00 0.19 O ATOM 1119 CB THR A 74 9.417 5.680 -3.038 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.509 6.577 -2.936 1.00 0.22 O ATOM 1121 CG2 THR A 74 9.965 4.238 -3.090 1.00 0.19 C ATOM 0 H THR A 74 10.360 6.598 -5.370 1.00 0.18 H new ATOM 0 HA THR A 74 7.825 5.262 -4.459 1.00 0.17 H new ATOM 0 HB THR A 74 8.759 5.772 -2.174 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.031 6.367 -2.134 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.538 4.034 -2.185 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.135 3.535 -3.160 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.610 4.125 -3.961 1.00 0.19 H new ATOM 1129 N PRO A 75 6.747 7.471 -3.573 1.00 0.17 N ATOM 1130 CA PRO A 75 5.939 6.295 -3.155 1.00 0.16 C ATOM 1131 C PRO A 75 5.296 5.622 -4.381 1.00 0.14 C ATOM 1132 O PRO A 75 4.809 6.287 -5.275 1.00 0.14 O ATOM 1133 CB PRO A 75 4.851 6.894 -2.232 1.00 0.17 C ATOM 1134 CG PRO A 75 4.870 8.437 -2.436 1.00 0.20 C ATOM 1135 CD PRO A 75 6.102 8.774 -3.304 1.00 0.19 C ATOM 0 HA PRO A 75 6.535 5.530 -2.658 1.00 0.16 H new ATOM 0 HB2 PRO A 75 3.871 6.486 -2.478 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.049 6.642 -1.190 1.00 0.17 H new ATOM 0 HG2 PRO A 75 3.954 8.771 -2.924 1.00 0.20 H new ATOM 0 HG3 PRO A 75 4.925 8.950 -1.476 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.809 9.268 -4.230 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.780 9.450 -2.782 1.00 0.19 H new ATOM 1143 N THR A 76 5.270 4.304 -4.417 1.00 0.13 N ATOM 1144 CA THR A 76 4.629 3.586 -5.574 1.00 0.12 C ATOM 1145 C THR A 76 3.357 2.925 -5.064 1.00 0.12 C ATOM 1146 O THR A 76 3.410 1.999 -4.281 1.00 0.18 O ATOM 1147 CB THR A 76 5.566 2.485 -6.123 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.906 2.936 -6.069 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.201 2.173 -7.580 1.00 0.13 C ATOM 0 H THR A 76 5.664 3.697 -3.698 1.00 0.13 H new ATOM 0 HA THR A 76 4.420 4.299 -6.372 1.00 0.12 H new ATOM 0 HB THR A 76 5.454 1.585 -5.518 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.998 3.754 -6.601 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.864 1.397 -7.963 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.169 1.826 -7.630 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.311 3.074 -8.184 1.00 0.13 H new ATOM 1157 N PHE A 77 2.211 3.378 -5.489 1.00 0.09 N ATOM 1158 CA PHE A 77 0.955 2.738 -5.000 1.00 0.09 C ATOM 1159 C PHE A 77 0.581 1.596 -5.927 1.00 0.09 C ATOM 1160 O PHE A 77 0.337 1.780 -7.103 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.182 3.749 -4.956 1.00 0.10 C ATOM 1162 CG PHE A 77 0.112 4.761 -3.885 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.162 4.450 -2.541 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.653 6.015 -4.225 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.104 5.397 -1.534 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.921 6.961 -3.219 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.647 6.655 -1.875 1.00 0.12 C ATOM 0 H PHE A 77 2.088 4.151 -6.143 1.00 0.09 H new ATOM 0 HA PHE A 77 1.123 2.360 -3.991 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.287 4.242 -5.923 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.127 3.246 -4.751 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.576 3.487 -2.282 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.862 6.251 -5.258 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.107 5.161 -0.501 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.337 7.923 -3.480 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.852 7.382 -1.103 1.00 0.12 H new ATOM 1177 N GLN A 78 0.533 0.414 -5.386 1.00 0.07 N ATOM 1178 CA GLN A 78 0.172 -0.787 -6.181 1.00 0.07 C ATOM 1179 C GLN A 78 -1.118 -1.348 -5.597 1.00 0.06 C ATOM 1180 O GLN A 78 -1.260 -1.474 -4.397 1.00 0.07 O ATOM 1181 CB GLN A 78 1.300 -1.812 -6.057 1.00 0.08 C ATOM 1182 CG GLN A 78 2.650 -1.109 -6.226 1.00 0.12 C ATOM 1183 CD GLN A 78 3.734 -2.145 -6.529 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.498 -3.333 -6.434 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.921 -1.743 -6.891 1.00 1.03 N ATOM 0 H GLN A 78 0.734 0.227 -4.404 1.00 0.07 H new ATOM 0 HA GLN A 78 0.031 -0.545 -7.234 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.253 -2.304 -5.086 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.185 -2.588 -6.813 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.593 -0.380 -7.035 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.901 -0.560 -5.319 1.00 0.12 H new ATOM 0 HE21 GLN A 78 5.119 -0.746 -6.971 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.651 -2.426 -7.094 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.070 -1.655 -6.432 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.378 -2.173 -5.936 1.00 0.07 C ATOM 1196 C PHE A 79 -3.500 -3.651 -6.276 1.00 0.07 C ATOM 1197 O PHE A 79 -3.397 -4.053 -7.419 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.506 -1.387 -6.610 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.429 0.063 -6.175 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.372 0.873 -6.619 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.405 0.600 -5.320 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.286 2.216 -6.215 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.323 1.941 -4.906 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.264 2.751 -5.356 1.00 0.11 C ATOM 0 H PHE A 79 -1.999 -1.569 -7.446 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.443 -2.053 -4.855 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.419 -1.459 -7.694 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.473 -1.810 -6.339 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.620 0.461 -7.276 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.222 -0.019 -4.979 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.472 2.835 -6.562 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.072 2.349 -4.243 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.202 3.783 -5.042 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.720 -4.462 -5.274 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.858 -5.931 -5.488 1.00 0.08 C ATOM 1216 C PHE A 80 -5.230 -6.367 -4.987 1.00 0.11 C ATOM 1217 O PHE A 80 -5.847 -5.709 -4.169 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.772 -6.663 -4.694 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.426 -6.448 -5.351 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.071 -7.191 -6.495 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.522 -5.509 -4.816 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.186 -6.994 -7.101 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.732 -5.314 -5.423 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.087 -6.055 -6.563 1.00 0.14 C ATOM 0 H PHE A 80 -3.811 -4.163 -4.303 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.753 -6.168 -6.547 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.749 -6.296 -3.668 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.998 -7.728 -4.647 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.762 -7.911 -6.907 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.792 -4.939 -3.939 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.458 -7.563 -7.978 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.423 -4.593 -5.012 1.00 0.11 H new ATOM 0 HZ PHE A 80 2.051 -5.904 -7.026 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.715 -7.468 -5.476 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.048 -7.959 -5.045 1.00 0.14 C ATOM 1236 C LYS A 81 -7.086 -9.469 -5.270 1.00 0.14 C ATOM 1237 O LYS A 81 -6.807 -9.942 -6.351 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.135 -7.262 -5.879 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.488 -7.324 -5.159 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.468 -6.373 -5.850 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.807 -6.393 -5.113 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.463 -7.717 -5.311 1.00 1.48 N ATOM 0 H LYS A 81 -5.241 -8.055 -6.162 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.226 -7.739 -3.992 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.857 -6.223 -6.054 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.214 -7.739 -6.856 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.877 -8.342 -5.176 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.370 -7.046 -4.112 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.062 -5.361 -5.861 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.609 -6.671 -6.889 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.652 -6.207 -4.050 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.451 -5.597 -5.485 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.423 -7.576 -5.685 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -11.908 -8.282 -5.985 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.516 -8.218 -4.401 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.406 -10.224 -4.256 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.444 -11.708 -4.401 1.00 0.20 C ATOM 1258 C LYS A 82 -6.090 -12.220 -4.902 1.00 0.20 C ATOM 1259 O LYS A 82 -6.004 -13.263 -5.521 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.532 -12.113 -5.402 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.915 -11.911 -4.778 1.00 0.24 C ATOM 1262 CD LYS A 82 -10.983 -11.943 -5.877 1.00 0.36 C ATOM 1263 CE LYS A 82 -12.345 -11.586 -5.281 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.774 -12.660 -4.342 1.00 1.67 N ATOM 0 H LYS A 82 -7.644 -9.876 -3.327 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.664 -12.145 -3.427 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.443 -11.517 -6.310 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.403 -13.156 -5.691 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -10.111 -12.692 -4.043 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -9.951 -10.959 -4.249 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.726 -11.239 -6.668 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.022 -12.933 -6.331 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.286 -10.632 -4.757 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -13.082 -11.467 -6.076 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -13.486 -12.282 -3.685 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -13.184 -13.449 -4.881 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -11.951 -13.000 -3.804 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.032 -11.506 -4.638 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.688 -11.968 -5.096 1.00 0.21 C ATOM 1280 C GLY A 83 -3.465 -11.561 -6.555 1.00 0.19 C ATOM 1281 O GLY A 83 -2.459 -11.894 -7.150 1.00 0.22 O ATOM 0 H GLY A 83 -5.037 -10.624 -4.126 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.911 -11.535 -4.466 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.613 -13.051 -4.996 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.400 -10.849 -7.135 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.257 -10.416 -8.567 1.00 0.17 C ATOM 1287 C GLN A 84 -4.067 -8.896 -8.632 1.00 0.16 C ATOM 1288 O GLN A 84 -4.586 -8.160 -7.818 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.527 -10.790 -9.337 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.834 -12.279 -9.146 1.00 0.23 C ATOM 1291 CD GLN A 84 -7.242 -12.582 -9.661 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -7.434 -13.494 -10.441 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -8.244 -11.851 -9.253 1.00 2.08 N ATOM 0 H GLN A 84 -5.261 -10.546 -6.679 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.392 -10.912 -9.008 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.366 -10.189 -8.986 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.398 -10.569 -10.397 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.102 -12.883 -9.682 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.756 -12.544 -8.092 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -8.083 -11.085 -8.598 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -9.187 -12.046 -9.589 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.327 -8.420 -9.603 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.104 -6.948 -9.728 1.00 0.17 C ATOM 1304 C LYS A 85 -4.239 -6.322 -10.539 1.00 0.16 C ATOM 1305 O LYS A 85 -4.768 -6.932 -11.449 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.777 -6.686 -10.443 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.563 -5.171 -10.582 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.085 -4.874 -10.864 1.00 0.30 C ATOM 1309 CE LYS A 85 0.307 -5.414 -12.246 1.00 0.89 C ATOM 1310 NZ LYS A 85 0.532 -6.885 -12.159 1.00 1.70 N ATOM 0 H LYS A 85 -2.868 -8.989 -10.315 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.078 -6.507 -8.732 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.955 -7.131 -9.882 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.782 -7.155 -11.427 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.182 -4.781 -11.390 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.876 -4.666 -9.668 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.093 -3.799 -10.821 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.539 -5.331 -10.096 1.00 0.30 H new ATOM 0 HE2 LYS A 85 -0.479 -5.198 -12.969 1.00 0.89 H new ATOM 0 HE3 LYS A 85 1.211 -4.917 -12.599 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 1.404 -7.134 -12.669 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 0.623 -7.164 -11.161 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 -0.273 -7.385 -12.586 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.618 -5.106 -10.216 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.726 -4.422 -10.962 1.00 0.16 C ATOM 1326 C VAL A 86 -5.251 -3.050 -11.457 1.00 0.18 C ATOM 1327 O VAL A 86 -5.709 -2.561 -12.471 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.926 -4.240 -10.029 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.601 -5.592 -9.795 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.449 -3.670 -8.692 1.00 0.17 C ATOM 0 H VAL A 86 -4.205 -4.555 -9.463 1.00 0.15 H new ATOM 0 HA VAL A 86 -6.015 -5.031 -11.819 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.639 -3.553 -10.484 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.455 -5.462 -9.131 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.941 -5.999 -10.748 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.889 -6.280 -9.340 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.303 -3.540 -8.027 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.736 -4.357 -8.237 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -5.968 -2.706 -8.858 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.343 -2.419 -10.757 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.863 -1.078 -11.211 1.00 0.18 C ATOM 1342 C GLY A 87 -2.679 -0.615 -10.356 1.00 0.10 C ATOM 1343 O GLY A 87 -2.275 -1.281 -9.423 1.00 0.08 O ATOM 0 H GLY A 87 -3.917 -2.769 -9.899 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.566 -1.127 -12.259 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.674 -0.353 -11.143 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.124 0.531 -10.667 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.970 1.045 -9.875 1.00 0.10 C ATOM 1349 C GLU A 88 -0.612 2.461 -10.324 1.00 0.10 C ATOM 1350 O GLU A 88 -0.858 2.850 -11.449 1.00 0.11 O ATOM 1351 CB GLU A 88 0.248 0.133 -10.063 1.00 0.17 C ATOM 1352 CG GLU A 88 0.598 -0.005 -11.552 1.00 0.25 C ATOM 1353 CD GLU A 88 -0.493 -0.800 -12.274 1.00 1.25 C ATOM 1354 OE1 GLU A 88 -0.836 -1.867 -11.794 1.00 1.94 O ATOM 1355 OE2 GLU A 88 -0.965 -0.328 -13.294 1.00 2.04 O ATOM 0 H GLU A 88 -2.422 1.131 -11.436 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.253 1.059 -8.822 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.101 0.540 -9.520 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.041 -0.850 -9.640 1.00 0.17 H new ATOM 0 HG2 GLU A 88 0.699 0.982 -12.003 1.00 0.25 H new ATOM 0 HG3 GLU A 88 1.559 -0.507 -11.663 1.00 0.25 H new ATOM 1362 N PHE A 89 -0.014 3.230 -9.455 1.00 0.09 N ATOM 1363 CA PHE A 89 0.380 4.611 -9.836 1.00 0.09 C ATOM 1364 C PHE A 89 1.294 5.208 -8.762 1.00 0.09 C ATOM 1365 O PHE A 89 1.007 5.155 -7.588 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.871 5.491 -10.049 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.482 5.929 -8.729 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.855 6.920 -7.944 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.693 5.355 -8.291 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.434 7.326 -6.728 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.272 5.765 -7.076 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.642 6.750 -6.294 1.00 0.11 C ATOM 0 H PHE A 89 0.217 2.960 -8.499 1.00 0.09 H new ATOM 0 HA PHE A 89 0.929 4.576 -10.777 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.602 6.370 -10.635 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.611 4.937 -10.627 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.070 7.367 -8.277 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.178 4.598 -8.890 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.950 8.081 -6.126 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.200 5.324 -6.744 1.00 0.10 H new ATOM 0 HZ PHE A 89 -3.085 7.064 -5.361 1.00 0.11 H new ATOM 1382 N SER A 90 2.398 5.782 -9.165 1.00 0.13 N ATOM 1383 CA SER A 90 3.344 6.398 -8.181 1.00 0.14 C ATOM 1384 C SER A 90 3.173 7.917 -8.214 1.00 0.14 C ATOM 1385 O SER A 90 2.152 8.427 -8.633 1.00 0.17 O ATOM 1386 CB SER A 90 4.777 6.044 -8.573 1.00 0.15 C ATOM 1387 OG SER A 90 5.210 6.916 -9.608 1.00 0.16 O ATOM 0 H SER A 90 2.689 5.852 -10.140 1.00 0.13 H new ATOM 0 HA SER A 90 3.135 6.023 -7.179 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.435 6.132 -7.708 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.829 5.008 -8.909 1.00 0.15 H new ATOM 0 HG SER A 90 5.808 7.596 -9.234 1.00 0.16 H new ATOM 1393 N GLY A 91 4.164 8.642 -7.780 1.00 0.12 N ATOM 1394 CA GLY A 91 4.060 10.130 -7.787 1.00 0.13 C ATOM 1395 C GLY A 91 3.264 10.590 -6.566 1.00 0.13 C ATOM 1396 O GLY A 91 2.160 10.141 -6.326 1.00 0.13 O ATOM 0 H GLY A 91 5.043 8.270 -7.420 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.055 10.575 -7.775 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.571 10.467 -8.701 1.00 0.13 H new ATOM 1400 N ALA A 92 3.815 11.477 -5.784 1.00 0.15 N ATOM 1401 CA ALA A 92 3.085 11.951 -4.572 1.00 0.17 C ATOM 1402 C ALA A 92 1.675 12.422 -4.955 1.00 0.15 C ATOM 1403 O ALA A 92 1.474 13.564 -5.322 1.00 0.16 O ATOM 1404 CB ALA A 92 3.862 13.118 -3.931 1.00 0.20 C ATOM 0 H ALA A 92 4.735 11.893 -5.930 1.00 0.15 H new ATOM 0 HA ALA A 92 3.003 11.129 -3.861 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.331 13.466 -3.045 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.858 12.779 -3.647 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.947 13.935 -4.647 1.00 0.20 H new ATOM 1410 N ASN A 93 0.695 11.560 -4.844 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.711 11.961 -5.166 1.00 0.13 C ATOM 1412 C ASN A 93 -1.642 11.335 -4.124 1.00 0.12 C ATOM 1413 O ASN A 93 -2.302 10.343 -4.366 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.088 11.481 -6.573 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.265 12.311 -7.090 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.194 12.589 -6.359 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.262 12.724 -8.325 1.00 1.15 N ATOM 0 H ASN A 93 0.808 10.592 -4.543 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.805 13.047 -5.142 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.235 11.580 -7.245 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.355 10.424 -6.550 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.040 13.281 -8.678 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.482 12.490 -8.939 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.667 11.906 -2.956 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.513 11.370 -1.850 1.00 0.20 C ATOM 1426 C LYS A 94 -4.003 11.456 -2.200 1.00 0.18 C ATOM 1427 O LYS A 94 -4.767 10.557 -1.909 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.239 12.180 -0.576 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.071 13.665 -0.942 1.00 0.38 C ATOM 1430 CD LYS A 94 -2.007 14.534 0.327 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.581 14.543 0.890 1.00 0.78 C ATOM 1432 NZ LYS A 94 0.330 15.235 -0.066 1.00 1.19 N ATOM 0 H LYS A 94 -1.128 12.737 -2.713 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.261 10.321 -1.695 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.061 12.059 0.129 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.339 11.811 -0.084 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -1.161 13.800 -1.527 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.903 13.987 -1.568 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -2.321 15.552 0.096 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -2.699 14.149 1.076 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.564 15.049 1.855 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.240 13.522 1.059 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.114 15.674 0.458 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 0.710 14.545 -0.745 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 -0.198 15.970 -0.579 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.428 12.531 -2.796 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.871 12.668 -3.130 1.00 0.20 C ATOM 1448 C GLU A 95 -6.269 11.603 -4.156 1.00 0.17 C ATOM 1449 O GLU A 95 -7.414 11.205 -4.235 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.115 14.065 -3.709 1.00 0.24 C ATOM 1451 CG GLU A 95 -6.176 15.089 -2.575 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.396 16.485 -3.160 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -5.607 16.885 -4.001 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -7.350 17.130 -2.757 1.00 1.86 O ATOM 0 H GLU A 95 -3.841 13.320 -3.066 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.472 12.532 -2.231 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.317 14.325 -4.405 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.047 14.077 -4.274 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.985 14.839 -1.888 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.251 15.066 -2.000 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.338 11.137 -4.937 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.670 10.100 -5.952 1.00 0.14 C ATOM 1463 C LYS A 96 -5.997 8.787 -5.247 1.00 0.12 C ATOM 1464 O LYS A 96 -6.831 8.031 -5.698 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.490 9.900 -6.903 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.812 8.788 -7.911 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.728 8.732 -9.008 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.060 9.712 -10.145 1.00 1.18 C ATOM 1469 NZ LYS A 96 -5.269 9.239 -10.874 1.00 2.05 N ATOM 0 H LYS A 96 -4.361 11.429 -4.917 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.535 10.426 -6.530 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.276 10.830 -7.430 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.595 9.641 -6.337 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.870 7.828 -7.398 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.788 8.968 -8.363 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.756 8.978 -8.580 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.655 7.719 -9.403 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.234 10.709 -9.740 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -3.216 9.789 -10.831 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -5.232 9.570 -11.859 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -5.299 8.200 -10.859 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -6.122 9.616 -10.414 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.359 8.500 -4.141 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.677 7.223 -3.443 1.00 0.11 C ATOM 1485 C LEU A 97 -7.180 7.174 -3.179 1.00 0.11 C ATOM 1486 O LEU A 97 -7.797 6.128 -3.230 1.00 0.11 O ATOM 1487 CB LEU A 97 -4.936 7.130 -2.099 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.426 7.357 -2.285 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.795 7.750 -0.942 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -2.752 6.073 -2.800 1.00 0.13 C ATOM 0 H LEU A 97 -4.647 9.082 -3.700 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.362 6.391 -4.073 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.336 7.871 -1.407 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.108 6.151 -1.652 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.280 8.156 -3.012 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.725 7.910 -1.076 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.257 8.668 -0.578 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -2.954 6.951 -0.218 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -1.684 6.249 -2.927 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -2.905 5.268 -2.081 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.190 5.791 -3.758 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.775 8.299 -2.892 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.241 8.313 -2.622 1.00 0.14 C ATOM 1504 C GLU A 98 -9.999 7.956 -3.903 1.00 0.13 C ATOM 1505 O GLU A 98 -10.791 7.036 -3.934 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.663 9.707 -2.157 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.117 9.669 -1.685 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.561 11.079 -1.290 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -10.727 11.824 -0.802 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.725 11.388 -1.483 1.00 2.15 O ATOM 0 H GLU A 98 -7.312 9.206 -2.833 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.472 7.585 -1.845 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.015 10.043 -1.347 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.553 10.423 -2.972 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.758 9.283 -2.477 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.218 8.993 -0.836 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.765 8.688 -4.957 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.472 8.410 -6.239 1.00 0.14 C ATOM 1519 C ALA A 99 -10.175 6.984 -6.715 1.00 0.12 C ATOM 1520 O ALA A 99 -11.054 6.285 -7.170 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.001 9.407 -7.301 1.00 0.15 C ATOM 0 H ALA A 99 -9.111 9.471 -4.986 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.546 8.512 -6.081 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.516 9.208 -8.241 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.226 10.422 -6.973 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.926 9.303 -7.447 1.00 0.15 H new ATOM 1527 N THR A 100 -8.945 6.552 -6.624 1.00 0.11 N ATOM 1528 CA THR A 100 -8.594 5.176 -7.090 1.00 0.11 C ATOM 1529 C THR A 100 -9.284 4.129 -6.213 1.00 0.10 C ATOM 1530 O THR A 100 -9.872 3.187 -6.705 1.00 0.11 O ATOM 1531 CB THR A 100 -7.077 4.985 -7.014 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.433 6.030 -7.730 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.699 3.636 -7.629 1.00 0.12 C ATOM 0 H THR A 100 -8.167 7.092 -6.247 1.00 0.11 H new ATOM 0 HA THR A 100 -8.930 5.053 -8.120 1.00 0.11 H new ATOM 0 HB THR A 100 -6.760 5.009 -5.971 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.578 6.881 -7.267 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.619 3.501 -7.574 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.193 2.835 -7.080 1.00 0.12 H new ATOM 0 HG23 THR A 100 -7.016 3.610 -8.672 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.224 4.282 -4.920 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.886 3.288 -4.025 1.00 0.11 C ATOM 1543 C ILE A 101 -11.384 3.269 -4.337 1.00 0.13 C ATOM 1544 O ILE A 101 -11.969 2.227 -4.544 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.645 3.688 -2.558 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.180 3.377 -2.188 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.586 2.900 -1.633 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.777 4.093 -0.889 1.00 0.18 C ATOM 0 H ILE A 101 -8.748 5.048 -4.444 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.473 2.292 -4.188 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.843 4.753 -2.436 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.051 2.301 -2.070 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.522 3.689 -2.999 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.407 3.191 -0.598 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.621 3.117 -1.897 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.399 1.832 -1.747 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.740 3.857 -0.650 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.884 5.170 -1.019 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.421 3.760 -0.075 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.006 4.414 -4.384 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.462 4.457 -4.690 1.00 0.17 C ATOM 1562 C ASN A 102 -13.697 3.901 -6.097 1.00 0.18 C ATOM 1563 O ASN A 102 -14.802 3.556 -6.464 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.954 5.905 -4.622 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.470 5.944 -4.820 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.166 5.012 -4.472 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.017 6.996 -5.369 1.00 1.03 N ATOM 0 H ASN A 102 -11.569 5.321 -4.224 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.009 3.856 -3.964 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.692 6.343 -3.659 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.462 6.503 -5.389 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.027 7.033 -5.505 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.434 7.780 -5.662 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.663 3.822 -6.890 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.817 3.299 -8.278 1.00 0.18 C ATOM 1576 C GLU A 103 -12.875 1.768 -8.270 1.00 0.19 C ATOM 1577 O GLU A 103 -13.791 1.166 -8.795 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.617 3.750 -9.124 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.974 3.675 -10.612 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.812 4.218 -11.443 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -9.759 4.449 -10.874 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -10.998 4.397 -12.635 1.00 2.02 O ATOM 0 H GLU A 103 -11.715 4.098 -6.635 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.744 3.688 -8.700 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.336 4.769 -8.859 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.755 3.117 -8.915 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -12.186 2.644 -10.894 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.877 4.252 -10.810 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.882 1.137 -7.704 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.841 -0.357 -7.685 1.00 0.19 C ATOM 1591 C LEU A 104 -12.492 -0.891 -6.406 1.00 0.19 C ATOM 1592 O LEU A 104 -12.348 -2.050 -6.071 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.377 -0.813 -7.739 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.654 -0.144 -8.918 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.148 -0.376 -8.786 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.144 -0.738 -10.246 1.00 0.35 C ATOM 0 H LEU A 104 -11.091 1.594 -7.250 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.389 -0.743 -8.545 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.875 -0.560 -6.805 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.330 -1.897 -7.842 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.868 0.925 -8.906 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.632 0.098 -9.621 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.794 0.055 -7.850 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -7.943 -1.446 -8.793 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.624 -0.256 -11.074 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -9.939 -1.808 -10.263 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.217 -0.572 -10.345 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.211 -0.070 -5.691 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.866 -0.561 -4.443 1.00 0.22 C ATOM 1610 C VAL A 105 -14.900 -1.630 -4.802 1.00 0.26 C ATOM 1611 O VAL A 105 -14.948 -2.635 -4.112 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.567 0.597 -3.732 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.590 1.231 -4.677 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.277 0.068 -2.481 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.628 -1.424 -5.758 1.00 1.18 O ATOM 0 H VAL A 105 -13.373 0.912 -5.913 1.00 0.20 H new ATOM 0 HA VAL A 105 -13.108 -0.983 -3.783 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.832 1.348 -3.441 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.090 2.057 -4.171 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.082 1.605 -5.566 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.328 0.484 -4.969 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.778 0.891 -1.971 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -16.013 -0.682 -2.770 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.545 -0.382 -1.810 1.00 0.27 H new ATOM 1692 N ARG B 4 18.032 3.103 -1.984 1.00 0.00 N ATOM 1693 CA ARG B 4 17.866 2.360 -3.272 1.00 0.00 C ATOM 1694 C ARG B 4 17.733 3.361 -4.437 1.00 0.00 C ATOM 1695 O ARG B 4 18.723 3.719 -5.046 1.00 0.00 O ATOM 1696 CB ARG B 4 16.638 1.424 -3.185 1.00 0.00 C ATOM 1697 CG ARG B 4 16.880 0.175 -4.048 1.00 0.00 C ATOM 1698 CD ARG B 4 15.708 -0.809 -3.935 1.00 0.00 C ATOM 1699 NE ARG B 4 15.543 -1.498 -5.249 1.00 0.00 N ATOM 1700 CZ ARG B 4 14.813 -2.577 -5.351 1.00 0.00 C ATOM 1701 NH1 ARG B 4 14.195 -3.055 -4.307 1.00 0.00 N ATOM 1702 NH2 ARG B 4 14.703 -3.177 -6.506 1.00 0.00 N ATOM 0 HA ARG B 4 18.745 1.742 -3.456 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.462 1.134 -2.149 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.745 1.947 -3.526 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.013 0.469 -5.089 1.00 0.00 H new ATOM 0 HG3 ARG B 4 17.802 -0.315 -3.734 1.00 0.00 H new ATOM 0 HD2 ARG B 4 15.899 -1.537 -3.146 1.00 0.00 H new ATOM 0 HD3 ARG B 4 14.793 -0.280 -3.666 1.00 0.00 H new ATOM 0 HE ARG B 4 16.005 -1.122 -6.077 1.00 0.00 H new ATOM 0 HH11 ARG B 4 14.280 -2.586 -3.405 1.00 0.00 H new ATOM 0 HH12 ARG B 4 13.626 -3.898 -4.392 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.186 -2.803 -7.323 1.00 0.00 H new ATOM 0 HH22 ARG B 4 14.134 -4.020 -6.591 1.00 0.00 H new ATOM 1716 N TYR B 5 16.536 3.826 -4.755 1.00 0.00 N ATOM 1717 CA TYR B 5 16.377 4.814 -5.885 1.00 0.00 C ATOM 1718 C TYR B 5 15.843 6.151 -5.349 1.00 0.00 C ATOM 1719 O TYR B 5 15.857 6.408 -4.160 1.00 0.00 O ATOM 1720 CB TYR B 5 15.439 4.255 -6.974 1.00 0.00 C ATOM 1721 CG TYR B 5 14.268 3.522 -6.377 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.366 2.156 -6.045 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.058 4.205 -6.184 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.247 1.482 -5.514 1.00 0.00 C ATOM 1725 CE2 TYR B 5 11.949 3.532 -5.660 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.039 2.173 -5.323 1.00 0.00 C ATOM 1727 OH TYR B 5 10.942 1.520 -4.805 1.00 0.00 O ATOM 0 H TYR B 5 15.669 3.566 -4.284 1.00 0.00 H new ATOM 0 HA TYR B 5 17.355 4.983 -6.335 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.077 5.073 -7.597 1.00 0.00 H new ATOM 0 HB3 TYR B 5 15.997 3.581 -7.624 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.295 1.627 -6.197 1.00 0.00 H new ATOM 0 HD2 TYR B 5 12.982 5.251 -6.440 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.319 0.436 -5.255 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.019 4.061 -5.514 1.00 0.00 H new ATOM 0 HH TYR B 5 10.233 2.170 -4.618 1.00 0.00 H new ATOM 1737 N VAL B 6 15.422 7.023 -6.230 1.00 0.00 N ATOM 1738 CA VAL B 6 14.939 8.372 -5.802 1.00 0.00 C ATOM 1739 C VAL B 6 13.501 8.336 -5.282 1.00 0.00 C ATOM 1740 O VAL B 6 12.682 7.548 -5.718 1.00 0.00 O ATOM 1741 CB VAL B 6 14.990 9.326 -7.002 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.986 10.775 -6.509 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.262 9.066 -7.801 1.00 0.00 C ATOM 0 H VAL B 6 15.392 6.857 -7.236 1.00 0.00 H new ATOM 0 HA VAL B 6 15.587 8.709 -4.993 1.00 0.00 H new ATOM 0 HB VAL B 6 14.119 9.158 -7.635 1.00 0.00 H new ATOM 0 HG11 VAL B 6 15.022 11.450 -7.364 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.077 10.962 -5.937 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.856 10.946 -5.875 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.300 9.743 -8.654 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.132 9.234 -7.165 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.265 8.035 -8.155 1.00 0.00 H new ATOM 1753 N CYS B 7 13.189 9.233 -4.379 1.00 0.00 N ATOM 1754 CA CYS B 7 11.802 9.329 -3.839 1.00 0.00 C ATOM 1755 C CYS B 7 11.098 10.498 -4.521 1.00 0.00 C ATOM 1756 O CYS B 7 11.231 11.634 -4.112 1.00 0.00 O ATOM 1757 CB CYS B 7 11.830 9.561 -2.322 1.00 0.00 C ATOM 1758 SG CYS B 7 13.121 8.547 -1.562 1.00 0.00 S ATOM 0 H CYS B 7 13.846 9.910 -3.990 1.00 0.00 H new ATOM 0 HA CYS B 7 11.271 8.398 -4.035 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.013 10.615 -2.111 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.860 9.313 -1.890 1.00 0.00 H new ATOM 1763 N GLU B 8 10.357 10.240 -5.563 1.00 0.00 N ATOM 1764 CA GLU B 8 9.664 11.356 -6.260 1.00 0.00 C ATOM 1765 C GLU B 8 8.364 11.689 -5.528 1.00 0.00 C ATOM 1766 O GLU B 8 7.323 11.895 -6.130 1.00 0.00 O ATOM 1767 CB GLU B 8 9.352 10.965 -7.709 1.00 0.00 C ATOM 1768 CG GLU B 8 8.850 9.515 -7.766 1.00 0.00 C ATOM 1769 CD GLU B 8 8.002 9.314 -9.026 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.581 9.164 -10.090 1.00 0.00 O ATOM 1771 OE2 GLU B 8 6.788 9.313 -8.905 1.00 0.00 O ATOM 0 H GLU B 8 10.203 9.312 -5.958 1.00 0.00 H new ATOM 0 HA GLU B 8 10.316 12.229 -6.263 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.598 11.636 -8.121 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.245 11.074 -8.324 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.695 8.827 -7.771 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.260 9.289 -6.878 1.00 0.00 H new ATOM 1778 N GLY B 9 8.421 11.778 -4.230 1.00 0.00 N ATOM 1779 CA GLY B 9 7.199 12.139 -3.469 1.00 0.00 C ATOM 1780 C GLY B 9 6.905 13.619 -3.779 1.00 0.00 C ATOM 1781 O GLY B 9 6.984 14.005 -4.930 1.00 0.00 O ATOM 0 H GLY B 9 9.256 11.617 -3.667 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.360 11.508 -3.762 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.351 11.990 -2.400 1.00 0.00 H new ATOM 1785 N PRO B 10 6.608 14.440 -2.785 1.00 0.00 N ATOM 1786 CA PRO B 10 6.357 15.868 -3.049 1.00 0.00 C ATOM 1787 C PRO B 10 7.677 16.532 -3.475 1.00 0.00 C ATOM 1788 O PRO B 10 7.871 17.720 -3.313 1.00 0.00 O ATOM 1789 CB PRO B 10 5.842 16.442 -1.709 1.00 0.00 C ATOM 1790 CG PRO B 10 5.932 15.302 -0.653 1.00 0.00 C ATOM 1791 CD PRO B 10 6.484 14.047 -1.367 1.00 0.00 C ATOM 0 HA PRO B 10 5.635 16.040 -3.847 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.442 17.299 -1.402 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.815 16.792 -1.810 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.585 15.593 0.170 1.00 0.00 H new ATOM 0 HG3 PRO B 10 4.951 15.098 -0.225 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.448 13.749 -0.954 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.811 13.198 -1.250 1.00 0.00 H new ATOM 1799 N SER B 11 8.583 15.760 -4.017 1.00 0.00 N ATOM 1800 CA SER B 11 9.894 16.311 -4.457 1.00 0.00 C ATOM 1801 C SER B 11 9.773 16.812 -5.896 1.00 0.00 C ATOM 1802 O SER B 11 10.100 17.943 -6.198 1.00 0.00 O ATOM 1803 CB SER B 11 10.950 15.203 -4.391 1.00 0.00 C ATOM 1804 OG SER B 11 12.238 15.769 -4.598 1.00 0.00 O ATOM 0 H SER B 11 8.466 14.759 -4.174 1.00 0.00 H new ATOM 0 HA SER B 11 10.186 17.136 -3.807 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.911 14.704 -3.423 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.747 14.446 -5.148 1.00 0.00 H new ATOM 0 HG SER B 11 12.916 15.063 -4.555 1.00 0.00 H new