USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 837 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 GLN : amide:sc= -1.2 K(o=-0.59,f=-5!) USER MOD Set 1.2: A 85 LYS NZ :NH3+ -104:sc= 0.606 (180deg=0) USER MOD Set 2.1: A 48 LYS NZ :NH3+ -170:sc= 0.843 (180deg=-0.136) USER MOD Set 2.2: A 49 TYR OH : rot 30:sc= 0.414 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 7 SER OG : rot 180:sc= 0.022 USER MOD Single : A 8 LYS NZ :NH3+ 165:sc= 0.652 (180deg=0.316) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.543 X(o=-0.54,f=-0.15) USER MOD Single : A 21 LYS NZ :NH3+ 163:sc= -0.0128 (180deg=-0.315) USER MOD Single : A 28 SER OG : rot 127:sc= 0.811 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+ -127:sc= -1.46 (180deg=-3.19!) USER MOD Single : A 43 HIS : no HD1:sc= -0.308 X(o=-0.31,f=-0.02) USER MOD Single : A 44 SER OG : rot 68:sc= 0.926 USER MOD Single : A 46 SER OG : rot 95:sc= 0.0541 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.25) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -37:sc= 0.0862 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -101:sc= -0.685 USER MOD Single : A 76 THR OG1 : rot 90:sc= 0.248! USER MOD Single : A 81 LYS NZ :NH3+ -160:sc= -0.0344 (180deg=-0.325) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -2.58! K(o=-2.6!,f=-0.9) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -2.75! K(o=-2.7!,f=-2.2) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -116:sc= -3.3! (180deg=-4.79!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.36 K(o=-0.36,f=-1.7) USER MOD Single : B 63 LYS NZ :NH3+ 151:sc= -0.161 (180deg=-0.867) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN : amide:sc= -2.21! K(o=-2.2!,f=-0.094) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.506 -2.252 8.872 1.00 0.20 N ATOM 37 CA LYS A 3 -1.526 -3.312 9.262 1.00 0.18 C ATOM 38 C LYS A 3 -0.158 -2.940 8.688 1.00 0.15 C ATOM 39 O LYS A 3 -0.029 -2.662 7.512 1.00 0.16 O ATOM 40 CB LYS A 3 -1.989 -4.652 8.663 1.00 0.19 C ATOM 41 CG LYS A 3 -1.095 -5.809 9.149 1.00 0.20 C ATOM 42 CD LYS A 3 -1.579 -6.323 10.520 1.00 0.81 C ATOM 43 CE LYS A 3 -2.676 -7.380 10.332 1.00 1.03 C ATOM 44 NZ LYS A 3 -3.096 -7.904 11.663 1.00 1.67 N ATOM 0 HA LYS A 3 -1.461 -3.398 10.347 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -3.024 -4.843 8.946 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.961 -4.598 7.575 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -1.113 -6.621 8.422 1.00 0.20 H new ATOM 0 HG3 LYS A 3 -0.061 -5.471 9.224 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -0.742 -6.751 11.072 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.962 -5.493 11.114 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -3.531 -6.944 9.815 1.00 1.03 H new ATOM 0 HE3 LYS A 3 -2.308 -8.195 9.708 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 -3.839 -8.620 11.535 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 -2.278 -8.335 12.140 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -3.464 -7.123 12.243 1.00 1.67 H new ATOM 58 N GLN A 4 0.867 -2.944 9.503 1.00 0.15 N ATOM 59 CA GLN A 4 2.232 -2.601 8.998 1.00 0.14 C ATOM 60 C GLN A 4 2.996 -3.896 8.738 1.00 0.12 C ATOM 61 O GLN A 4 3.170 -4.710 9.624 1.00 0.13 O ATOM 62 CB GLN A 4 2.979 -1.772 10.055 1.00 0.16 C ATOM 63 CG GLN A 4 4.382 -1.414 9.544 1.00 0.17 C ATOM 64 CD GLN A 4 5.105 -0.557 10.587 1.00 0.22 C ATOM 65 OE1 GLN A 4 5.015 -0.817 11.770 1.00 0.29 O ATOM 66 NE2 GLN A 4 5.827 0.460 10.193 1.00 0.31 N ATOM 0 H GLN A 4 0.818 -3.170 10.496 1.00 0.15 H new ATOM 0 HA GLN A 4 2.153 -2.021 8.078 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.421 -0.863 10.278 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.054 -2.335 10.985 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.951 -2.323 9.347 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.309 -0.873 8.601 1.00 0.17 H new ATOM 0 HE21 GLN A 4 5.902 0.678 9.199 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.315 1.035 10.879 1.00 0.31 H new ATOM 75 N ILE A 5 3.467 -4.089 7.535 1.00 0.10 N ATOM 76 CA ILE A 5 4.235 -5.327 7.217 1.00 0.10 C ATOM 77 C ILE A 5 5.724 -4.996 7.224 1.00 0.10 C ATOM 78 O ILE A 5 6.200 -4.242 6.400 1.00 0.11 O ATOM 79 CB ILE A 5 3.848 -5.818 5.827 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.322 -5.910 5.698 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.461 -7.187 5.593 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.735 -6.710 6.866 1.00 0.19 C ATOM 0 H ILE A 5 3.352 -3.440 6.756 1.00 0.10 H new ATOM 0 HA ILE A 5 4.015 -6.098 7.955 1.00 0.10 H new ATOM 0 HB ILE A 5 4.220 -5.113 5.084 1.00 0.11 H new ATOM 0 HG12 ILE A 5 1.891 -4.909 5.681 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.058 -6.386 4.754 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.187 -7.543 4.600 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.546 -7.117 5.667 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.090 -7.885 6.344 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.652 -6.766 6.760 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.153 -7.717 6.864 1.00 0.19 H new ATOM 0 HD13 ILE A 5 1.983 -6.217 7.806 1.00 0.19 H new ATOM 94 N GLU A 6 6.467 -5.548 8.147 1.00 0.11 N ATOM 95 CA GLU A 6 7.925 -5.255 8.204 1.00 0.13 C ATOM 96 C GLU A 6 8.704 -6.368 7.500 1.00 0.12 C ATOM 97 O GLU A 6 9.916 -6.331 7.428 1.00 0.13 O ATOM 98 CB GLU A 6 8.364 -5.195 9.668 1.00 0.15 C ATOM 99 CG GLU A 6 7.587 -4.093 10.399 1.00 0.17 C ATOM 100 CD GLU A 6 6.203 -4.606 10.808 1.00 1.45 C ATOM 101 OE1 GLU A 6 5.906 -5.753 10.521 1.00 2.25 O ATOM 102 OE2 GLU A 6 5.465 -3.844 11.410 1.00 2.25 O ATOM 0 H GLU A 6 6.125 -6.189 8.863 1.00 0.11 H new ATOM 0 HA GLU A 6 8.122 -4.303 7.711 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.188 -6.157 10.150 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.435 -4.999 9.728 1.00 0.15 H new ATOM 0 HG2 GLU A 6 8.140 -3.772 11.282 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.484 -3.221 9.753 1.00 0.17 H new ATOM 109 N SER A 7 8.030 -7.365 6.978 1.00 0.12 N ATOM 110 CA SER A 7 8.767 -8.473 6.289 1.00 0.13 C ATOM 111 C SER A 7 7.895 -9.143 5.228 1.00 0.12 C ATOM 112 O SER A 7 6.682 -9.131 5.300 1.00 0.12 O ATOM 113 CB SER A 7 9.166 -9.529 7.320 1.00 0.15 C ATOM 114 OG SER A 7 7.995 -10.044 7.940 1.00 0.15 O ATOM 0 H SER A 7 7.015 -7.460 6.998 1.00 0.12 H new ATOM 0 HA SER A 7 9.646 -8.046 5.807 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.720 -10.334 6.838 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.826 -9.092 8.069 1.00 0.15 H new ATOM 0 HG SER A 7 8.246 -10.723 8.601 1.00 0.15 H new ATOM 120 N LYS A 8 8.516 -9.764 4.257 1.00 0.14 N ATOM 121 CA LYS A 8 7.741 -10.474 3.204 1.00 0.15 C ATOM 122 C LYS A 8 6.993 -11.627 3.862 1.00 0.15 C ATOM 123 O LYS A 8 5.927 -12.019 3.434 1.00 0.16 O ATOM 124 CB LYS A 8 8.684 -11.038 2.138 1.00 0.18 C ATOM 125 CG LYS A 8 7.860 -11.531 0.945 1.00 0.21 C ATOM 126 CD LYS A 8 8.711 -12.456 0.068 1.00 0.43 C ATOM 127 CE LYS A 8 9.876 -11.670 -0.536 1.00 0.80 C ATOM 128 NZ LYS A 8 10.457 -12.442 -1.673 1.00 1.65 N ATOM 0 H LYS A 8 9.530 -9.808 4.151 1.00 0.14 H new ATOM 0 HA LYS A 8 7.048 -9.779 2.729 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.388 -10.271 1.816 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.272 -11.857 2.552 1.00 0.18 H new ATOM 0 HG2 LYS A 8 6.976 -12.062 1.298 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.509 -10.682 0.359 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.090 -13.288 0.662 1.00 0.43 H new ATOM 0 HD3 LYS A 8 8.099 -12.884 -0.726 1.00 0.43 H new ATOM 0 HE2 LYS A 8 9.531 -10.696 -0.882 1.00 0.80 H new ATOM 0 HE3 LYS A 8 10.638 -11.488 0.222 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 11.067 -11.819 -2.240 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 11.020 -13.234 -1.303 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 9.690 -12.812 -2.270 1.00 1.65 H new ATOM 142 N THR A 9 7.554 -12.181 4.900 1.00 0.15 N ATOM 143 CA THR A 9 6.883 -13.321 5.576 1.00 0.17 C ATOM 144 C THR A 9 5.498 -12.875 6.038 1.00 0.16 C ATOM 145 O THR A 9 4.504 -13.526 5.783 1.00 0.17 O ATOM 146 CB THR A 9 7.712 -13.755 6.786 1.00 0.19 C ATOM 147 OG1 THR A 9 9.041 -14.037 6.370 1.00 0.22 O ATOM 148 CG2 THR A 9 7.096 -15.008 7.408 1.00 0.23 C ATOM 0 H THR A 9 8.444 -11.894 5.307 1.00 0.15 H new ATOM 0 HA THR A 9 6.790 -14.159 4.886 1.00 0.17 H new ATOM 0 HB THR A 9 7.722 -12.954 7.525 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.574 -14.314 7.144 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.688 -15.315 8.270 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.076 -14.792 7.727 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.083 -15.811 6.671 1.00 0.23 H new ATOM 156 N ALA A 10 5.426 -11.759 6.703 1.00 0.15 N ATOM 157 CA ALA A 10 4.107 -11.250 7.166 1.00 0.15 C ATOM 158 C ALA A 10 3.287 -10.809 5.952 1.00 0.14 C ATOM 159 O ALA A 10 2.076 -10.856 5.958 1.00 0.15 O ATOM 160 CB ALA A 10 4.321 -10.072 8.122 1.00 0.17 C ATOM 0 H ALA A 10 6.226 -11.175 6.947 1.00 0.15 H new ATOM 0 HA ALA A 10 3.568 -12.036 7.695 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.355 -9.699 8.461 1.00 0.17 H new ATOM 0 HB2 ALA A 10 4.905 -10.402 8.981 1.00 0.17 H new ATOM 0 HB3 ALA A 10 4.856 -9.276 7.604 1.00 0.17 H new ATOM 166 N PHE A 11 3.942 -10.375 4.909 1.00 0.14 N ATOM 167 CA PHE A 11 3.200 -9.928 3.698 1.00 0.13 C ATOM 168 C PHE A 11 2.369 -11.083 3.169 1.00 0.14 C ATOM 169 O PHE A 11 1.217 -10.932 2.815 1.00 0.14 O ATOM 170 CB PHE A 11 4.217 -9.516 2.627 1.00 0.14 C ATOM 171 CG PHE A 11 3.509 -8.834 1.481 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.898 -7.593 1.679 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.474 -9.439 0.216 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.247 -6.960 0.618 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.824 -8.804 -0.845 1.00 0.14 C ATOM 176 CZ PHE A 11 2.209 -7.565 -0.643 1.00 0.14 C ATOM 0 H PHE A 11 4.958 -10.311 4.844 1.00 0.14 H new ATOM 0 HA PHE A 11 2.550 -9.089 3.945 1.00 0.13 H new ATOM 0 HB2 PHE A 11 4.960 -8.845 3.058 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.752 -10.394 2.265 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.929 -7.124 2.651 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.950 -10.396 0.062 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.772 -6.002 0.771 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.797 -9.269 -1.819 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.704 -7.074 -1.462 1.00 0.14 H new ATOM 186 N GLN A 12 2.951 -12.240 3.118 1.00 0.14 N ATOM 187 CA GLN A 12 2.206 -13.417 2.612 1.00 0.16 C ATOM 188 C GLN A 12 1.078 -13.752 3.595 1.00 0.15 C ATOM 189 O GLN A 12 -0.039 -14.033 3.206 1.00 0.16 O ATOM 190 CB GLN A 12 3.176 -14.597 2.523 1.00 0.18 C ATOM 191 CG GLN A 12 4.301 -14.270 1.533 1.00 0.17 C ATOM 192 CD GLN A 12 3.716 -14.038 0.138 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.137 -14.931 -0.450 1.00 1.12 O ATOM 194 NE2 GLN A 12 3.840 -12.866 -0.415 1.00 1.31 N ATOM 0 H GLN A 12 3.912 -12.423 3.405 1.00 0.14 H new ATOM 0 HA GLN A 12 1.780 -13.209 1.630 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.595 -14.810 3.506 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.645 -15.493 2.201 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.841 -13.382 1.863 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.021 -15.088 1.504 1.00 0.17 H new ATOM 0 HE21 GLN A 12 4.326 -12.118 0.079 1.00 1.31 H new ATOM 0 HE22 GLN A 12 3.451 -12.696 -1.343 1.00 1.31 H new ATOM 203 N GLU A 13 1.368 -13.711 4.870 1.00 0.16 N ATOM 204 CA GLU A 13 0.326 -14.014 5.899 1.00 0.17 C ATOM 205 C GLU A 13 -0.791 -12.974 5.846 1.00 0.15 C ATOM 206 O GLU A 13 -1.949 -13.281 6.049 1.00 0.16 O ATOM 207 CB GLU A 13 0.975 -13.988 7.288 1.00 0.19 C ATOM 208 CG GLU A 13 1.961 -15.151 7.432 1.00 0.28 C ATOM 209 CD GLU A 13 1.203 -16.481 7.407 1.00 0.95 C ATOM 210 OE1 GLU A 13 -0.001 -16.458 7.601 1.00 1.77 O ATOM 211 OE2 GLU A 13 1.842 -17.499 7.197 1.00 1.67 O ATOM 0 H GLU A 13 2.288 -13.479 5.246 1.00 0.16 H new ATOM 0 HA GLU A 13 -0.098 -14.998 5.699 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.494 -13.041 7.438 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.206 -14.056 8.058 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.691 -15.123 6.623 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.516 -15.056 8.365 1.00 0.28 H new ATOM 218 N ALA A 14 -0.451 -11.744 5.589 1.00 0.15 N ATOM 219 CA ALA A 14 -1.491 -10.683 5.538 1.00 0.14 C ATOM 220 C ALA A 14 -2.387 -10.921 4.325 1.00 0.13 C ATOM 221 O ALA A 14 -3.594 -10.810 4.401 1.00 0.13 O ATOM 222 CB ALA A 14 -0.817 -9.312 5.436 1.00 0.15 C ATOM 0 H ALA A 14 0.502 -11.428 5.412 1.00 0.15 H new ATOM 0 HA ALA A 14 -2.097 -10.711 6.444 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.579 -8.534 5.399 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.180 -9.154 6.306 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.212 -9.271 4.531 1.00 0.15 H new ATOM 228 N LEU A 15 -1.807 -11.255 3.207 1.00 0.12 N ATOM 229 CA LEU A 15 -2.629 -11.506 2.002 1.00 0.12 C ATOM 230 C LEU A 15 -3.576 -12.669 2.290 1.00 0.13 C ATOM 231 O LEU A 15 -4.730 -12.654 1.910 1.00 0.13 O ATOM 232 CB LEU A 15 -1.708 -11.864 0.834 1.00 0.13 C ATOM 233 CG LEU A 15 -0.913 -10.622 0.398 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.211 -11.043 -0.556 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.833 -9.601 -0.303 1.00 0.17 C ATOM 0 H LEU A 15 -0.801 -11.364 3.080 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.207 -10.618 1.745 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -1.024 -12.660 1.129 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.296 -12.243 -0.002 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.488 -10.152 1.285 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.775 -10.163 -0.865 1.00 0.17 H new ATOM 0 HD12 LEU A 15 0.877 -11.740 -0.048 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.219 -11.526 -1.434 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.249 -8.731 -0.603 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.280 -10.059 -1.185 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.621 -9.290 0.383 1.00 0.17 H new ATOM 247 N ASP A 16 -3.097 -13.674 2.974 1.00 0.13 N ATOM 248 CA ASP A 16 -3.972 -14.833 3.299 1.00 0.15 C ATOM 249 C ASP A 16 -5.028 -14.409 4.322 1.00 0.15 C ATOM 250 O ASP A 16 -6.157 -14.861 4.292 1.00 0.16 O ATOM 251 CB ASP A 16 -3.128 -15.969 3.886 1.00 0.17 C ATOM 252 CG ASP A 16 -3.949 -17.262 3.888 1.00 0.19 C ATOM 253 OD1 ASP A 16 -5.156 -17.173 4.041 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.355 -18.317 3.738 1.00 1.07 O ATOM 0 H ASP A 16 -2.140 -13.741 3.320 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.462 -15.177 2.388 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.219 -16.103 3.299 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.818 -15.720 4.901 1.00 0.17 H new ATOM 259 N ALA A 17 -4.660 -13.555 5.240 1.00 0.15 N ATOM 260 CA ALA A 17 -5.628 -13.104 6.283 1.00 0.16 C ATOM 261 C ALA A 17 -6.727 -12.246 5.651 1.00 0.15 C ATOM 262 O ALA A 17 -7.876 -12.306 6.041 1.00 0.17 O ATOM 263 CB ALA A 17 -4.886 -12.277 7.335 1.00 0.18 C ATOM 0 H ALA A 17 -3.727 -13.149 5.313 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.083 -13.979 6.747 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.589 -11.945 8.099 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.110 -12.887 7.796 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.430 -11.408 6.860 1.00 0.18 H new ATOM 269 N ALA A 18 -6.386 -11.447 4.681 1.00 0.14 N ATOM 270 CA ALA A 18 -7.413 -10.582 4.031 1.00 0.15 C ATOM 271 C ALA A 18 -8.467 -11.460 3.354 1.00 0.14 C ATOM 272 O ALA A 18 -9.607 -11.069 3.196 1.00 0.17 O ATOM 273 CB ALA A 18 -6.740 -9.689 2.987 1.00 0.15 C ATOM 0 H ALA A 18 -5.441 -11.354 4.308 1.00 0.14 H new ATOM 0 HA ALA A 18 -7.894 -9.958 4.785 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.490 -9.057 2.511 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -5.992 -9.062 3.472 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.258 -10.311 2.232 1.00 0.15 H new ATOM 279 N GLY A 19 -8.097 -12.642 2.950 1.00 0.16 N ATOM 280 CA GLY A 19 -9.077 -13.546 2.284 1.00 0.20 C ATOM 281 C GLY A 19 -9.480 -12.966 0.926 1.00 0.16 C ATOM 282 O GLY A 19 -8.644 -12.623 0.113 1.00 0.17 O ATOM 0 H GLY A 19 -7.156 -13.023 3.052 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.640 -14.536 2.151 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.959 -13.668 2.913 1.00 0.20 H new ATOM 286 N ASP A 20 -10.758 -12.871 0.667 1.00 0.15 N ATOM 287 CA ASP A 20 -11.228 -12.333 -0.646 1.00 0.14 C ATOM 288 C ASP A 20 -11.483 -10.821 -0.547 1.00 0.12 C ATOM 289 O ASP A 20 -11.998 -10.211 -1.463 1.00 0.13 O ATOM 290 CB ASP A 20 -12.516 -13.055 -1.046 1.00 0.15 C ATOM 291 CG ASP A 20 -12.230 -14.553 -1.189 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.215 -14.887 -1.779 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.027 -15.338 -0.705 1.00 1.07 O ATOM 0 H ASP A 20 -11.500 -13.144 1.311 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.460 -12.502 -1.401 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.288 -12.890 -0.294 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -12.895 -12.654 -1.986 1.00 0.15 H new ATOM 298 N LYS A 21 -11.128 -10.211 0.553 1.00 0.12 N ATOM 299 CA LYS A 21 -11.355 -8.740 0.700 1.00 0.12 C ATOM 300 C LYS A 21 -10.313 -7.978 -0.125 1.00 0.10 C ATOM 301 O LYS A 21 -9.202 -8.435 -0.309 1.00 0.11 O ATOM 302 CB LYS A 21 -11.202 -8.340 2.172 1.00 0.15 C ATOM 303 CG LYS A 21 -12.368 -8.891 2.994 1.00 0.21 C ATOM 304 CD LYS A 21 -12.408 -8.183 4.349 1.00 0.31 C ATOM 305 CE LYS A 21 -13.536 -8.766 5.195 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.186 -10.156 5.605 1.00 1.50 N ATOM 0 H LYS A 21 -10.692 -10.665 1.355 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.359 -8.497 0.352 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.259 -8.722 2.564 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.167 -7.254 2.259 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.307 -8.738 2.463 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.253 -9.966 3.135 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.454 -8.304 4.863 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.561 -7.113 4.208 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -13.701 -8.146 6.077 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -14.467 -8.767 4.628 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -13.793 -10.447 6.397 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -13.331 -10.801 4.802 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -12.190 -10.190 5.901 1.00 1.50 H new ATOM 320 N LEU A 22 -10.655 -6.815 -0.617 1.00 0.11 N ATOM 321 CA LEU A 22 -9.677 -6.035 -1.419 1.00 0.12 C ATOM 322 C LEU A 22 -8.470 -5.757 -0.517 1.00 0.12 C ATOM 323 O LEU A 22 -8.593 -5.713 0.691 1.00 0.14 O ATOM 324 CB LEU A 22 -10.340 -4.711 -1.866 1.00 0.15 C ATOM 325 CG LEU A 22 -9.968 -4.336 -3.316 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.547 -2.936 -3.659 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.437 -4.319 -3.498 1.00 0.47 C ATOM 0 H LEU A 22 -11.568 -6.376 -0.496 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.360 -6.578 -2.309 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.423 -4.802 -1.782 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -10.035 -3.908 -1.195 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.391 -5.083 -3.987 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -10.283 -2.674 -4.683 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.632 -2.956 -3.558 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -10.133 -2.194 -2.976 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -8.196 -4.052 -4.527 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.998 -3.586 -2.821 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -8.033 -5.307 -3.275 1.00 0.47 H new ATOM 339 N VAL A 23 -7.311 -5.566 -1.081 1.00 0.11 N ATOM 340 CA VAL A 23 -6.111 -5.292 -0.249 1.00 0.11 C ATOM 341 C VAL A 23 -5.239 -4.289 -0.977 1.00 0.11 C ATOM 342 O VAL A 23 -4.739 -4.552 -2.054 1.00 0.17 O ATOM 343 CB VAL A 23 -5.307 -6.577 -0.040 1.00 0.11 C ATOM 344 CG1 VAL A 23 -4.074 -6.268 0.818 1.00 0.16 C ATOM 345 CG2 VAL A 23 -6.175 -7.627 0.656 1.00 0.12 C ATOM 0 H VAL A 23 -7.144 -5.588 -2.087 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.425 -4.904 0.720 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.989 -6.968 -1.007 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.498 -7.181 0.970 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.454 -5.528 0.311 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.392 -5.875 1.784 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.596 -8.539 0.802 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.501 -7.246 1.624 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -7.047 -7.845 0.039 1.00 0.12 H new ATOM 355 N VAL A 24 -5.047 -3.142 -0.394 1.00 0.09 N ATOM 356 CA VAL A 24 -4.196 -2.105 -1.037 1.00 0.09 C ATOM 357 C VAL A 24 -2.852 -2.076 -0.308 1.00 0.09 C ATOM 358 O VAL A 24 -2.803 -2.184 0.902 1.00 0.10 O ATOM 359 CB VAL A 24 -4.883 -0.738 -0.919 1.00 0.11 C ATOM 360 CG1 VAL A 24 -4.067 0.313 -1.675 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.287 -0.819 -1.520 1.00 0.14 C ATOM 0 H VAL A 24 -5.445 -2.876 0.506 1.00 0.09 H new ATOM 0 HA VAL A 24 -4.045 -2.333 -2.092 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.952 -0.458 0.132 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.556 1.283 -1.590 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -3.066 0.373 -1.248 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.997 0.032 -2.726 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.775 0.152 -1.436 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -6.217 -1.101 -2.571 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.871 -1.566 -0.982 1.00 0.14 H new ATOM 371 N VAL A 25 -1.763 -1.945 -1.027 1.00 0.09 N ATOM 372 CA VAL A 25 -0.415 -1.915 -0.367 1.00 0.09 C ATOM 373 C VAL A 25 0.280 -0.608 -0.722 1.00 0.10 C ATOM 374 O VAL A 25 0.463 -0.281 -1.876 1.00 0.11 O ATOM 375 CB VAL A 25 0.435 -3.085 -0.862 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.832 -2.985 -0.253 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.211 -4.408 -0.443 1.00 0.10 C ATOM 0 H VAL A 25 -1.747 -1.857 -2.043 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.539 -1.994 0.713 1.00 0.09 H new ATOM 0 HB VAL A 25 0.504 -3.049 -1.949 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.442 -3.818 -0.603 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.294 -2.045 -0.554 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.759 -3.021 0.834 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.398 -5.239 -0.798 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.283 -4.449 0.644 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.209 -4.479 -0.876 1.00 0.10 H new ATOM 387 N ASP A 26 0.660 0.146 0.271 1.00 0.11 N ATOM 388 CA ASP A 26 1.341 1.453 0.024 1.00 0.12 C ATOM 389 C ASP A 26 2.844 1.337 0.258 1.00 0.14 C ATOM 390 O ASP A 26 3.297 1.241 1.381 1.00 0.20 O ATOM 391 CB ASP A 26 0.781 2.481 1.001 1.00 0.14 C ATOM 392 CG ASP A 26 1.426 3.843 0.748 1.00 0.16 C ATOM 393 OD1 ASP A 26 1.251 4.367 -0.337 1.00 1.04 O ATOM 394 OD2 ASP A 26 2.093 4.333 1.643 1.00 1.05 O ATOM 0 H ASP A 26 0.527 -0.088 1.255 1.00 0.11 H new ATOM 0 HA ASP A 26 1.166 1.751 -1.010 1.00 0.12 H new ATOM 0 HB2 ASP A 26 -0.300 2.554 0.886 1.00 0.14 H new ATOM 0 HB3 ASP A 26 0.972 2.163 2.026 1.00 0.14 H new ATOM 399 N PHE A 27 3.632 1.401 -0.778 1.00 0.13 N ATOM 400 CA PHE A 27 5.110 1.361 -0.585 1.00 0.13 C ATOM 401 C PHE A 27 5.570 2.802 -0.422 1.00 0.22 C ATOM 402 O PHE A 27 5.660 3.534 -1.384 1.00 0.73 O ATOM 403 CB PHE A 27 5.794 0.764 -1.821 1.00 0.11 C ATOM 404 CG PHE A 27 5.582 -0.727 -1.881 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.505 -1.586 -1.270 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.483 -1.256 -2.567 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.326 -2.972 -1.343 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.305 -2.643 -2.635 1.00 0.14 C ATOM 409 CZ PHE A 27 5.226 -3.500 -2.024 1.00 0.14 C ATOM 0 H PHE A 27 3.320 1.479 -1.746 1.00 0.13 H new ATOM 0 HA PHE A 27 5.364 0.750 0.281 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.396 1.229 -2.723 1.00 0.11 H new ATOM 0 HB3 PHE A 27 6.861 0.983 -1.793 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.355 -1.178 -0.743 1.00 0.11 H new ATOM 0 HD2 PHE A 27 3.773 -0.596 -3.043 1.00 0.12 H new ATOM 0 HE1 PHE A 27 7.038 -3.634 -0.873 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.455 -3.052 -3.160 1.00 0.14 H new ATOM 0 HZ PHE A 27 5.087 -4.570 -2.079 1.00 0.14 H new ATOM 419 N SER A 28 5.867 3.215 0.778 1.00 0.30 N ATOM 420 CA SER A 28 6.330 4.619 1.006 1.00 0.24 C ATOM 421 C SER A 28 7.599 4.584 1.837 1.00 0.24 C ATOM 422 O SER A 28 7.773 3.734 2.686 1.00 0.28 O ATOM 423 CB SER A 28 5.255 5.402 1.758 1.00 0.27 C ATOM 424 OG SER A 28 4.071 5.441 0.973 1.00 0.29 O ATOM 0 H SER A 28 5.810 2.639 1.618 1.00 0.30 H new ATOM 0 HA SER A 28 6.521 5.104 0.048 1.00 0.24 H new ATOM 0 HB2 SER A 28 5.052 4.932 2.721 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.603 6.414 1.964 1.00 0.27 H new ATOM 0 HG SER A 28 3.314 5.122 1.507 1.00 0.29 H new ATOM 430 N ALA A 29 8.484 5.504 1.618 1.00 0.20 N ATOM 431 CA ALA A 29 9.732 5.521 2.416 1.00 0.21 C ATOM 432 C ALA A 29 9.444 6.284 3.705 1.00 0.22 C ATOM 433 O ALA A 29 9.054 7.435 3.676 1.00 0.22 O ATOM 434 CB ALA A 29 10.835 6.230 1.611 1.00 0.19 C ATOM 0 H ALA A 29 8.399 6.245 0.922 1.00 0.20 H new ATOM 0 HA ALA A 29 10.067 4.510 2.647 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.757 6.246 2.193 1.00 0.19 H new ATOM 0 HB2 ALA A 29 11.005 5.695 0.677 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.526 7.252 1.392 1.00 0.19 H new ATOM 440 N THR A 30 9.630 5.666 4.836 1.00 0.23 N ATOM 441 CA THR A 30 9.358 6.398 6.095 1.00 0.24 C ATOM 442 C THR A 30 10.371 7.533 6.197 1.00 0.22 C ATOM 443 O THR A 30 10.084 8.596 6.710 1.00 0.22 O ATOM 444 CB THR A 30 9.494 5.455 7.299 1.00 0.28 C ATOM 445 OG1 THR A 30 9.231 6.179 8.493 1.00 0.30 O ATOM 446 CG2 THR A 30 10.909 4.873 7.352 1.00 0.29 C ATOM 0 H THR A 30 9.952 4.704 4.941 1.00 0.23 H new ATOM 0 HA THR A 30 8.342 6.793 6.094 1.00 0.24 H new ATOM 0 HB THR A 30 8.779 4.638 7.199 1.00 0.28 H new ATOM 0 HG1 THR A 30 9.315 5.580 9.264 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.996 4.205 8.209 1.00 0.29 H new ATOM 0 HG22 THR A 30 11.108 4.316 6.437 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.632 5.683 7.448 1.00 0.29 H new ATOM 454 N TRP A 31 11.555 7.319 5.684 1.00 0.22 N ATOM 455 CA TRP A 31 12.592 8.392 5.730 1.00 0.21 C ATOM 456 C TRP A 31 12.228 9.541 4.786 1.00 0.19 C ATOM 457 O TRP A 31 12.647 10.665 4.979 1.00 0.22 O ATOM 458 CB TRP A 31 13.943 7.823 5.311 1.00 0.23 C ATOM 459 CG TRP A 31 13.886 7.341 3.893 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.699 6.058 3.526 1.00 0.26 C ATOM 461 CD2 TRP A 31 14.009 8.103 2.657 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.743 5.971 2.147 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.923 7.208 1.565 1.00 0.21 C ATOM 464 CE3 TRP A 31 14.195 9.467 2.379 1.00 0.21 C ATOM 465 CZ2 TRP A 31 14.021 7.650 0.247 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.289 9.916 1.053 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.204 9.009 -0.011 1.00 0.21 C ATOM 0 H TRP A 31 11.848 6.450 5.237 1.00 0.22 H new ATOM 0 HA TRP A 31 12.643 8.770 6.751 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.714 8.587 5.412 1.00 0.23 H new ATOM 0 HB3 TRP A 31 14.220 7.001 5.971 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.540 5.230 4.201 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.653 5.099 1.625 1.00 0.25 H new ATOM 0 HE3 TRP A 31 14.266 10.175 3.191 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.956 6.946 -0.569 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.428 10.968 0.851 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.280 9.361 -1.029 1.00 0.21 H new ATOM 478 N CYS A 32 11.466 9.278 3.757 1.00 0.18 N ATOM 479 CA CYS A 32 11.106 10.373 2.810 1.00 0.17 C ATOM 480 C CYS A 32 9.914 11.139 3.386 1.00 0.17 C ATOM 481 O CYS A 32 8.845 10.599 3.590 1.00 0.20 O ATOM 482 CB CYS A 32 10.756 9.760 1.442 1.00 0.18 C ATOM 483 SG CYS A 32 10.908 11.017 0.135 1.00 0.26 S ATOM 0 H CYS A 32 11.080 8.361 3.533 1.00 0.18 H new ATOM 0 HA CYS A 32 11.940 11.061 2.676 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.420 8.922 1.230 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.740 9.365 1.461 1.00 0.18 H new ATOM 488 N GLY A 33 10.114 12.397 3.683 1.00 0.20 N ATOM 489 CA GLY A 33 9.026 13.220 4.282 1.00 0.23 C ATOM 490 C GLY A 33 7.812 13.306 3.352 1.00 0.21 C ATOM 491 O GLY A 33 6.700 13.056 3.769 1.00 0.22 O ATOM 0 H GLY A 33 10.993 12.892 3.534 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.725 12.788 5.236 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.399 14.223 4.489 1.00 0.23 H new ATOM 495 N PRO A 34 8.001 13.679 2.110 1.00 0.21 N ATOM 496 CA PRO A 34 6.855 13.789 1.165 1.00 0.22 C ATOM 497 C PRO A 34 6.022 12.498 1.110 1.00 0.22 C ATOM 498 O PRO A 34 4.819 12.530 0.931 1.00 0.24 O ATOM 499 CB PRO A 34 7.573 14.065 -0.166 1.00 0.29 C ATOM 500 CG PRO A 34 8.976 14.585 0.175 1.00 0.31 C ATOM 501 CD PRO A 34 9.343 14.026 1.557 1.00 0.24 C ATOM 0 HA PRO A 34 6.131 14.554 1.444 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.634 13.157 -0.766 1.00 0.29 H new ATOM 0 HB3 PRO A 34 7.023 14.799 -0.755 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.699 14.263 -0.575 1.00 0.31 H new ATOM 0 HG3 PRO A 34 8.991 15.675 0.184 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.994 13.155 1.486 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.861 14.762 2.172 1.00 0.24 H new ATOM 509 N ALA A 35 6.654 11.363 1.269 1.00 0.21 N ATOM 510 CA ALA A 35 5.899 10.078 1.227 1.00 0.23 C ATOM 511 C ALA A 35 5.151 9.869 2.551 1.00 0.23 C ATOM 512 O ALA A 35 3.960 9.635 2.570 1.00 0.22 O ATOM 513 CB ALA A 35 6.877 8.920 0.983 1.00 0.24 C ATOM 0 H ALA A 35 7.658 11.272 1.426 1.00 0.21 H new ATOM 0 HA ALA A 35 5.172 10.110 0.416 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.327 7.980 0.952 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.391 9.071 0.034 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.609 8.886 1.790 1.00 0.24 H new ATOM 519 N LYS A 36 5.839 9.952 3.659 1.00 0.25 N ATOM 520 CA LYS A 36 5.160 9.765 4.977 1.00 0.27 C ATOM 521 C LYS A 36 4.064 10.826 5.147 1.00 0.26 C ATOM 522 O LYS A 36 3.014 10.569 5.698 1.00 0.27 O ATOM 523 CB LYS A 36 6.181 9.884 6.110 1.00 0.33 C ATOM 524 CG LYS A 36 5.526 9.498 7.442 1.00 0.37 C ATOM 525 CD LYS A 36 6.509 9.765 8.585 1.00 0.44 C ATOM 526 CE LYS A 36 5.862 9.411 9.926 1.00 0.89 C ATOM 527 NZ LYS A 36 6.891 9.495 11.003 1.00 1.59 N ATOM 0 H LYS A 36 6.840 10.141 3.710 1.00 0.25 H new ATOM 0 HA LYS A 36 4.708 8.774 5.011 1.00 0.27 H new ATOM 0 HB2 LYS A 36 7.034 9.235 5.912 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.561 10.904 6.163 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.612 10.073 7.591 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.242 8.446 7.429 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.414 9.175 8.442 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.807 10.813 8.581 1.00 0.44 H new ATOM 0 HE2 LYS A 36 5.039 10.094 10.138 1.00 0.89 H new ATOM 0 HE3 LYS A 36 5.441 8.407 9.886 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 6.457 9.255 11.917 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 7.662 8.827 10.800 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 7.273 10.462 11.044 1.00 1.59 H new ATOM 541 N MET A 37 4.312 12.018 4.675 1.00 0.28 N ATOM 542 CA MET A 37 3.307 13.116 4.806 1.00 0.30 C ATOM 543 C MET A 37 2.004 12.717 4.106 1.00 0.25 C ATOM 544 O MET A 37 0.941 13.171 4.465 1.00 0.25 O ATOM 545 CB MET A 37 3.870 14.391 4.170 1.00 0.38 C ATOM 546 CG MET A 37 2.945 15.576 4.463 1.00 0.44 C ATOM 547 SD MET A 37 2.982 15.955 6.235 1.00 1.54 S ATOM 548 CE MET A 37 4.260 17.237 6.187 1.00 2.10 C ATOM 0 H MET A 37 5.175 12.282 4.200 1.00 0.28 H new ATOM 0 HA MET A 37 3.099 13.295 5.861 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.867 14.592 4.561 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.971 14.256 3.093 1.00 0.38 H new ATOM 0 HG2 MET A 37 3.260 16.447 3.888 1.00 0.44 H new ATOM 0 HG3 MET A 37 1.927 15.341 4.153 1.00 0.44 H new ATOM 0 HE1 MET A 37 4.438 17.611 7.195 1.00 2.10 H new ATOM 0 HE2 MET A 37 5.183 16.816 5.788 1.00 2.10 H new ATOM 0 HE3 MET A 37 3.929 18.057 5.549 1.00 2.10 H new ATOM 558 N ILE A 38 2.087 11.887 3.102 1.00 0.23 N ATOM 559 CA ILE A 38 0.863 11.450 2.360 1.00 0.25 C ATOM 560 C ILE A 38 0.128 10.336 3.127 1.00 0.26 C ATOM 561 O ILE A 38 -0.908 9.866 2.702 1.00 0.31 O ATOM 562 CB ILE A 38 1.269 10.943 0.964 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.807 12.125 0.149 1.00 0.34 C ATOM 564 CG2 ILE A 38 0.055 10.332 0.246 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.592 11.607 -1.051 1.00 0.49 C ATOM 0 H ILE A 38 2.960 11.487 2.758 1.00 0.23 H new ATOM 0 HA ILE A 38 0.188 12.300 2.262 1.00 0.25 H new ATOM 0 HB ILE A 38 2.036 10.175 1.064 1.00 0.33 H new ATOM 0 HG12 ILE A 38 0.982 12.753 -0.188 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.447 12.748 0.773 1.00 0.34 H new ATOM 0 HG21 ILE A 38 0.356 9.977 -0.740 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -0.331 9.496 0.830 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -0.722 11.088 0.138 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.973 12.450 -1.628 1.00 0.49 H new ATOM 0 HD12 ILE A 38 3.427 10.998 -0.704 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.938 11.003 -1.680 1.00 0.49 H new ATOM 577 N LYS A 39 0.666 9.868 4.227 1.00 0.27 N ATOM 578 CA LYS A 39 -0.013 8.749 4.954 1.00 0.34 C ATOM 579 C LYS A 39 -1.441 9.083 5.457 1.00 0.30 C ATOM 580 O LYS A 39 -2.233 8.179 5.589 1.00 0.33 O ATOM 581 CB LYS A 39 0.850 8.226 6.134 1.00 0.46 C ATOM 582 CG LYS A 39 0.753 9.116 7.402 1.00 0.50 C ATOM 583 CD LYS A 39 1.215 8.327 8.643 1.00 0.65 C ATOM 584 CE LYS A 39 0.282 7.129 8.922 1.00 0.80 C ATOM 585 NZ LYS A 39 0.851 5.902 8.293 1.00 0.75 N ATOM 0 H LYS A 39 1.532 10.205 4.648 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.124 7.965 4.204 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.536 7.213 6.384 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.891 8.168 5.817 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.369 10.007 7.278 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.274 9.455 7.539 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.234 7.970 8.492 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.234 8.987 9.511 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.171 6.982 9.996 1.00 0.80 H new ATOM 0 HE3 LYS A 39 -0.713 7.328 8.523 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.132 5.456 7.689 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 1.677 6.159 7.716 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.142 5.234 9.035 1.00 0.75 H new ATOM 599 N PRO A 40 -1.798 10.315 5.794 1.00 0.26 N ATOM 600 CA PRO A 40 -3.174 10.571 6.328 1.00 0.25 C ATOM 601 C PRO A 40 -4.286 10.169 5.363 1.00 0.20 C ATOM 602 O PRO A 40 -5.288 9.625 5.767 1.00 0.21 O ATOM 603 CB PRO A 40 -3.147 12.093 6.541 1.00 0.26 C ATOM 604 CG PRO A 40 -1.678 12.501 6.595 1.00 0.28 C ATOM 605 CD PRO A 40 -0.930 11.521 5.689 1.00 0.27 C ATOM 0 HA PRO A 40 -3.392 9.987 7.222 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.662 12.607 5.729 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.658 12.364 7.465 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.546 13.527 6.252 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.298 12.455 7.616 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -0.852 11.885 4.664 1.00 0.27 H new ATOM 0 HD3 PRO A 40 0.085 11.330 6.038 1.00 0.27 H new ATOM 613 N PHE A 41 -4.134 10.424 4.099 1.00 0.16 N ATOM 614 CA PHE A 41 -5.219 10.031 3.167 1.00 0.13 C ATOM 615 C PHE A 41 -5.281 8.505 3.101 1.00 0.13 C ATOM 616 O PHE A 41 -6.325 7.899 3.228 1.00 0.15 O ATOM 617 CB PHE A 41 -4.897 10.559 1.774 1.00 0.14 C ATOM 618 CG PHE A 41 -5.078 12.053 1.716 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.082 12.905 2.208 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.243 12.586 1.155 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.253 14.294 2.139 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.414 13.972 1.084 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.420 14.827 1.577 1.00 0.37 C ATOM 0 H PHE A 41 -3.324 10.878 3.677 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.169 10.438 3.513 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -3.871 10.301 1.510 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.545 10.080 1.040 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.183 12.492 2.640 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.011 11.927 0.777 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.486 14.953 2.519 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.313 14.383 0.649 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.553 15.897 1.524 1.00 0.37 H new ATOM 633 N PHE A 42 -4.152 7.882 2.940 1.00 0.12 N ATOM 634 CA PHE A 42 -4.105 6.398 2.883 1.00 0.13 C ATOM 635 C PHE A 42 -4.588 5.815 4.211 1.00 0.14 C ATOM 636 O PHE A 42 -5.445 4.955 4.256 1.00 0.16 O ATOM 637 CB PHE A 42 -2.660 5.982 2.585 1.00 0.13 C ATOM 638 CG PHE A 42 -2.540 4.480 2.546 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.891 3.774 1.390 1.00 0.12 C ATOM 640 CD2 PHE A 42 -2.083 3.789 3.676 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.785 2.379 1.362 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.974 2.394 3.648 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.326 1.687 2.490 1.00 0.13 C ATOM 0 H PHE A 42 -3.247 8.343 2.844 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.760 6.017 2.099 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.344 6.403 1.631 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.994 6.386 3.348 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.244 4.306 0.519 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.815 4.333 4.569 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -3.057 1.835 0.470 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.619 1.862 4.518 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.243 0.610 2.468 1.00 0.13 H new ATOM 653 N HIS A 43 -4.037 6.286 5.292 1.00 0.16 N ATOM 654 CA HIS A 43 -4.430 5.777 6.632 1.00 0.18 C ATOM 655 C HIS A 43 -5.882 6.164 6.948 1.00 0.16 C ATOM 656 O HIS A 43 -6.639 5.381 7.485 1.00 0.16 O ATOM 657 CB HIS A 43 -3.486 6.404 7.665 1.00 0.23 C ATOM 658 CG HIS A 43 -3.816 5.894 9.032 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.133 4.838 9.607 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.780 6.256 9.933 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.698 4.595 10.803 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.707 5.433 11.053 1.00 0.31 N ATOM 0 H HIS A 43 -3.321 7.012 5.304 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.359 4.690 6.656 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.452 6.164 7.418 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.576 7.490 7.641 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.490 7.058 9.796 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.375 3.817 11.479 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.297 5.463 11.885 1.00 0.31 H new ATOM 670 N SER A 44 -6.272 7.368 6.621 1.00 0.15 N ATOM 671 CA SER A 44 -7.671 7.813 6.902 1.00 0.15 C ATOM 672 C SER A 44 -8.675 6.964 6.119 1.00 0.13 C ATOM 673 O SER A 44 -9.751 6.661 6.594 1.00 0.15 O ATOM 674 CB SER A 44 -7.849 9.277 6.509 1.00 0.18 C ATOM 675 OG SER A 44 -6.996 10.082 7.310 1.00 0.22 O ATOM 0 H SER A 44 -5.680 8.066 6.170 1.00 0.15 H new ATOM 0 HA SER A 44 -7.853 7.694 7.970 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.613 9.414 5.454 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.887 9.579 6.645 1.00 0.18 H new ATOM 0 HG SER A 44 -6.061 9.898 7.079 1.00 0.22 H new ATOM 681 N LEU A 45 -8.345 6.603 4.910 1.00 0.12 N ATOM 682 CA LEU A 45 -9.294 5.802 4.087 1.00 0.14 C ATOM 683 C LEU A 45 -9.569 4.457 4.755 1.00 0.13 C ATOM 684 O LEU A 45 -10.600 3.851 4.540 1.00 0.15 O ATOM 685 CB LEU A 45 -8.711 5.573 2.689 1.00 0.16 C ATOM 686 CG LEU A 45 -8.779 6.873 1.859 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.774 6.800 0.707 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.187 7.061 1.271 1.00 0.22 C ATOM 0 H LEU A 45 -7.460 6.828 4.456 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.230 6.353 4.000 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.677 5.239 2.769 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.263 4.781 2.183 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.544 7.713 2.513 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.823 7.719 0.122 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.768 6.679 1.109 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.014 5.950 0.068 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.218 7.982 0.689 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.428 6.216 0.626 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.915 7.119 2.081 1.00 0.22 H new ATOM 700 N SER A 46 -8.659 3.972 5.555 1.00 0.12 N ATOM 701 CA SER A 46 -8.888 2.656 6.212 1.00 0.12 C ATOM 702 C SER A 46 -10.251 2.683 6.890 1.00 0.14 C ATOM 703 O SER A 46 -10.980 1.714 6.880 1.00 0.16 O ATOM 704 CB SER A 46 -7.807 2.412 7.266 1.00 0.13 C ATOM 705 OG SER A 46 -6.537 2.412 6.633 1.00 0.14 O ATOM 0 H SER A 46 -7.774 4.426 5.780 1.00 0.12 H new ATOM 0 HA SER A 46 -8.851 1.860 5.468 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.846 3.187 8.032 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.978 1.459 7.767 1.00 0.13 H new ATOM 0 HG SER A 46 -6.141 3.306 6.694 1.00 0.14 H new ATOM 711 N GLU A 47 -10.595 3.785 7.488 1.00 0.15 N ATOM 712 CA GLU A 47 -11.912 3.878 8.168 1.00 0.18 C ATOM 713 C GLU A 47 -12.991 4.256 7.140 1.00 0.18 C ATOM 714 O GLU A 47 -14.170 4.095 7.386 1.00 0.21 O ATOM 715 CB GLU A 47 -11.836 4.952 9.258 1.00 0.22 C ATOM 716 CG GLU A 47 -10.921 4.466 10.391 1.00 0.23 C ATOM 717 CD GLU A 47 -9.462 4.521 9.926 1.00 1.34 C ATOM 718 OE1 GLU A 47 -9.119 5.462 9.228 1.00 2.05 O ATOM 719 OE2 GLU A 47 -8.715 3.619 10.269 1.00 2.16 O ATOM 0 H GLU A 47 -10.020 4.626 7.535 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.167 2.919 8.618 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.453 5.883 8.840 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.833 5.163 9.646 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -11.056 5.089 11.275 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -11.185 3.448 10.675 1.00 0.23 H new ATOM 726 N LYS A 48 -12.606 4.755 5.984 1.00 0.17 N ATOM 727 CA LYS A 48 -13.635 5.124 4.963 1.00 0.19 C ATOM 728 C LYS A 48 -14.095 3.849 4.270 1.00 0.18 C ATOM 729 O LYS A 48 -15.258 3.679 3.963 1.00 0.21 O ATOM 730 CB LYS A 48 -13.055 6.100 3.937 1.00 0.20 C ATOM 731 CG LYS A 48 -14.178 6.578 3.009 1.00 0.30 C ATOM 732 CD LYS A 48 -13.612 7.535 1.960 1.00 0.82 C ATOM 733 CE LYS A 48 -14.761 8.233 1.233 1.00 1.03 C ATOM 734 NZ LYS A 48 -15.617 7.213 0.567 1.00 1.78 N ATOM 0 H LYS A 48 -11.637 4.919 5.710 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.477 5.615 5.451 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.598 6.950 4.443 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.270 5.614 3.358 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.646 5.724 2.520 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.954 7.078 3.589 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -12.967 8.273 2.436 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -12.996 6.987 1.247 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -15.353 8.815 1.939 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -14.368 8.932 0.495 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -16.295 7.687 -0.064 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -15.020 6.568 0.011 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -16.135 6.671 1.287 1.00 1.78 H new ATOM 748 N TYR A 49 -13.180 2.932 4.059 1.00 0.16 N ATOM 749 CA TYR A 49 -13.533 1.618 3.430 1.00 0.17 C ATOM 750 C TYR A 49 -13.075 0.527 4.390 1.00 0.16 C ATOM 751 O TYR A 49 -12.179 -0.242 4.105 1.00 0.16 O ATOM 752 CB TYR A 49 -12.811 1.453 2.085 1.00 0.17 C ATOM 753 CG TYR A 49 -13.315 2.491 1.111 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.584 2.344 0.537 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.524 3.599 0.786 1.00 0.19 C ATOM 756 CE1 TYR A 49 -15.062 3.306 -0.359 1.00 0.25 C ATOM 757 CE2 TYR A 49 -13.004 4.562 -0.110 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.272 4.416 -0.681 1.00 0.21 C ATOM 759 OH TYR A 49 -14.745 5.367 -1.561 1.00 0.25 O ATOM 0 H TYR A 49 -12.194 3.039 4.298 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.606 1.561 3.245 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.735 1.560 2.222 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.984 0.453 1.688 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.194 1.488 0.786 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.544 3.711 1.226 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -16.040 3.192 -0.802 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.395 5.418 -0.360 1.00 0.20 H new ATOM 0 HH TYR A 49 -15.722 5.412 -1.500 1.00 0.25 H new ATOM 769 N SER A 50 -13.693 0.465 5.536 1.00 0.17 N ATOM 770 CA SER A 50 -13.308 -0.548 6.546 1.00 0.18 C ATOM 771 C SER A 50 -13.536 -1.944 5.972 1.00 0.19 C ATOM 772 O SER A 50 -13.116 -2.935 6.535 1.00 0.21 O ATOM 773 CB SER A 50 -14.155 -0.346 7.800 1.00 0.20 C ATOM 774 OG SER A 50 -15.483 -0.781 7.549 1.00 0.22 O ATOM 0 H SER A 50 -14.456 1.082 5.815 1.00 0.17 H new ATOM 0 HA SER A 50 -12.255 -0.441 6.804 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.729 -0.905 8.633 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.153 0.705 8.087 1.00 0.20 H new ATOM 0 HG SER A 50 -16.027 -0.653 8.354 1.00 0.22 H new ATOM 780 N ASN A 51 -14.183 -2.028 4.840 1.00 0.20 N ATOM 781 CA ASN A 51 -14.421 -3.358 4.214 1.00 0.23 C ATOM 782 C ASN A 51 -13.244 -3.670 3.289 1.00 0.19 C ATOM 783 O ASN A 51 -13.253 -4.629 2.544 1.00 0.22 O ATOM 784 CB ASN A 51 -15.723 -3.319 3.409 1.00 0.32 C ATOM 785 CG ASN A 51 -16.101 -4.736 2.973 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.476 -5.557 3.788 1.00 1.13 O ATOM 787 ND2 ASN A 51 -16.019 -5.062 1.712 1.00 0.27 N ATOM 0 H ASN A 51 -14.556 -1.232 4.323 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.506 -4.129 4.980 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.522 -2.888 4.012 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.603 -2.679 2.535 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.269 -6.004 1.411 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.705 -4.375 1.027 1.00 0.27 H new ATOM 794 N VAL A 52 -12.216 -2.857 3.360 1.00 0.21 N ATOM 795 CA VAL A 52 -10.995 -3.068 2.531 1.00 0.17 C ATOM 796 C VAL A 52 -9.788 -3.066 3.472 1.00 0.13 C ATOM 797 O VAL A 52 -9.780 -2.370 4.468 1.00 0.14 O ATOM 798 CB VAL A 52 -10.877 -1.940 1.498 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.490 -1.970 0.840 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.960 -2.132 0.431 1.00 0.24 C ATOM 0 H VAL A 52 -12.175 -2.041 3.971 1.00 0.21 H new ATOM 0 HA VAL A 52 -11.045 -4.015 1.994 1.00 0.17 H new ATOM 0 HB VAL A 52 -11.008 -0.977 1.992 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.417 -1.165 0.108 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.723 -1.838 1.603 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.345 -2.928 0.341 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.886 -1.336 -0.310 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.822 -3.096 -0.058 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.943 -2.101 0.901 1.00 0.24 H new ATOM 810 N ILE A 53 -8.784 -3.862 3.197 1.00 0.11 N ATOM 811 CA ILE A 53 -7.602 -3.917 4.120 1.00 0.09 C ATOM 812 C ILE A 53 -6.460 -3.058 3.548 1.00 0.09 C ATOM 813 O ILE A 53 -6.016 -3.273 2.436 1.00 0.12 O ATOM 814 CB ILE A 53 -7.135 -5.373 4.222 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.340 -6.279 4.527 1.00 0.13 C ATOM 816 CG2 ILE A 53 -6.090 -5.515 5.346 1.00 0.13 C ATOM 817 CD1 ILE A 53 -9.106 -5.762 5.751 1.00 0.15 C ATOM 0 H ILE A 53 -8.729 -4.472 2.381 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.879 -3.537 5.103 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.684 -5.669 3.275 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -9.004 -6.314 3.663 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.999 -7.298 4.708 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.764 -6.553 5.411 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.232 -4.878 5.128 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.533 -5.214 6.295 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.955 -6.415 5.952 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.444 -5.751 6.617 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.464 -4.751 5.556 1.00 0.15 H new ATOM 829 N PHE A 54 -5.983 -2.085 4.296 1.00 0.08 N ATOM 830 CA PHE A 54 -4.867 -1.204 3.793 1.00 0.09 C ATOM 831 C PHE A 54 -3.538 -1.593 4.466 1.00 0.09 C ATOM 832 O PHE A 54 -3.427 -1.601 5.675 1.00 0.12 O ATOM 833 CB PHE A 54 -5.170 0.256 4.149 1.00 0.10 C ATOM 834 CG PHE A 54 -6.375 0.754 3.381 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.659 0.356 3.765 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.209 1.626 2.296 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.775 0.829 3.065 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.325 2.096 1.597 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.608 1.697 1.981 1.00 0.10 C ATOM 0 H PHE A 54 -6.317 -1.861 5.233 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.787 -1.328 2.713 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.353 0.344 5.220 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.305 0.878 3.921 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.790 -0.316 4.601 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.218 1.935 2.000 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.767 0.523 3.363 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.196 2.767 0.761 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.470 2.059 1.441 1.00 0.10 H new ATOM 849 N LEU A 55 -2.518 -1.895 3.687 1.00 0.09 N ATOM 850 CA LEU A 55 -1.176 -2.260 4.267 1.00 0.11 C ATOM 851 C LEU A 55 -0.162 -1.163 3.960 1.00 0.10 C ATOM 852 O LEU A 55 -0.121 -0.628 2.871 1.00 0.10 O ATOM 853 CB LEU A 55 -0.637 -3.579 3.673 1.00 0.12 C ATOM 854 CG LEU A 55 -1.446 -4.795 4.156 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.936 -4.632 3.839 1.00 0.20 C ATOM 856 CD2 LEU A 55 -0.909 -6.060 3.476 1.00 0.22 C ATOM 0 H LEU A 55 -2.558 -1.904 2.668 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.313 -2.379 5.342 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.671 -3.528 2.585 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.409 -3.703 3.953 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.338 -4.876 5.238 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.481 -5.507 4.192 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.319 -3.741 4.337 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.070 -4.532 2.762 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.479 -6.925 3.815 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.007 -5.962 2.395 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.141 -6.194 3.734 1.00 0.22 H new ATOM 868 N GLU A 56 0.685 -0.859 4.910 1.00 0.12 N ATOM 869 CA GLU A 56 1.748 0.168 4.692 1.00 0.13 C ATOM 870 C GLU A 56 3.081 -0.570 4.658 1.00 0.13 C ATOM 871 O GLU A 56 3.343 -1.413 5.494 1.00 0.14 O ATOM 872 CB GLU A 56 1.744 1.183 5.837 1.00 0.15 C ATOM 873 CG GLU A 56 2.738 2.306 5.521 1.00 0.17 C ATOM 874 CD GLU A 56 2.846 3.249 6.722 1.00 0.20 C ATOM 875 OE1 GLU A 56 1.836 3.476 7.366 1.00 1.13 O ATOM 876 OE2 GLU A 56 3.939 3.732 6.973 1.00 1.05 O ATOM 0 H GLU A 56 0.685 -1.283 5.838 1.00 0.12 H new ATOM 0 HA GLU A 56 1.577 0.710 3.762 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.743 1.594 5.970 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.015 0.694 6.773 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.716 1.885 5.287 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.410 2.858 4.640 1.00 0.17 H new ATOM 883 N VAL A 57 3.908 -0.296 3.682 1.00 0.12 N ATOM 884 CA VAL A 57 5.216 -1.024 3.571 1.00 0.12 C ATOM 885 C VAL A 57 6.390 -0.033 3.505 1.00 0.11 C ATOM 886 O VAL A 57 6.347 0.956 2.801 1.00 0.13 O ATOM 887 CB VAL A 57 5.188 -1.861 2.295 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.506 -2.613 2.146 1.00 0.15 C ATOM 889 CG2 VAL A 57 4.043 -2.870 2.376 1.00 0.14 C ATOM 0 H VAL A 57 3.738 0.399 2.956 1.00 0.12 H new ATOM 0 HA VAL A 57 5.354 -1.657 4.448 1.00 0.12 H new ATOM 0 HB VAL A 57 5.043 -1.205 1.437 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.483 -3.210 1.234 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.328 -1.899 2.092 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.650 -3.268 3.005 1.00 0.15 H new ATOM 0 HG21 VAL A 57 4.021 -3.469 1.466 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.193 -3.522 3.236 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.097 -2.339 2.484 1.00 0.14 H new ATOM 899 N ASP A 58 7.442 -0.311 4.235 1.00 0.10 N ATOM 900 CA ASP A 58 8.643 0.580 4.231 1.00 0.09 C ATOM 901 C ASP A 58 9.667 0.004 3.256 1.00 0.09 C ATOM 902 O ASP A 58 10.157 -1.089 3.438 1.00 0.09 O ATOM 903 CB ASP A 58 9.248 0.585 5.633 1.00 0.10 C ATOM 904 CG ASP A 58 10.321 1.673 5.732 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.681 2.220 4.704 1.00 1.05 O ATOM 906 OD2 ASP A 58 10.760 1.941 6.839 1.00 1.02 O ATOM 0 H ASP A 58 7.520 -1.128 4.841 1.00 0.10 H new ATOM 0 HA ASP A 58 8.368 1.593 3.936 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.469 0.762 6.374 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.684 -0.389 5.854 1.00 0.10 H new ATOM 911 N VAL A 59 10.021 0.723 2.240 1.00 0.09 N ATOM 912 CA VAL A 59 11.022 0.182 1.289 1.00 0.10 C ATOM 913 C VAL A 59 12.368 0.094 1.994 1.00 0.11 C ATOM 914 O VAL A 59 13.262 -0.606 1.563 1.00 0.12 O ATOM 915 CB VAL A 59 11.132 1.106 0.075 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.861 0.991 -0.767 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.297 2.554 0.542 1.00 0.16 C ATOM 0 H VAL A 59 9.666 1.655 2.025 1.00 0.09 H new ATOM 0 HA VAL A 59 10.716 -0.808 0.951 1.00 0.10 H new ATOM 0 HB VAL A 59 11.997 0.816 -0.521 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.937 1.649 -1.633 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.739 -0.039 -1.103 1.00 0.14 H new ATOM 0 HG13 VAL A 59 8.999 1.281 -0.166 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.375 3.209 -0.325 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.433 2.844 1.140 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.201 2.641 1.145 1.00 0.16 H new ATOM 927 N ASP A 60 12.527 0.816 3.072 1.00 0.10 N ATOM 928 CA ASP A 60 13.830 0.788 3.801 1.00 0.12 C ATOM 929 C ASP A 60 13.825 -0.251 4.939 1.00 0.13 C ATOM 930 O ASP A 60 14.786 -0.972 5.113 1.00 0.15 O ATOM 931 CB ASP A 60 14.090 2.188 4.362 1.00 0.14 C ATOM 932 CG ASP A 60 14.641 3.087 3.249 1.00 0.16 C ATOM 933 OD1 ASP A 60 14.274 2.872 2.105 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.428 3.967 3.557 1.00 1.07 O ATOM 0 H ASP A 60 11.814 1.422 3.478 1.00 0.10 H new ATOM 0 HA ASP A 60 14.621 0.497 3.110 1.00 0.12 H new ATOM 0 HB2 ASP A 60 13.167 2.609 4.762 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.800 2.135 5.187 1.00 0.14 H new ATOM 939 N ASP A 61 12.764 -0.356 5.705 1.00 0.13 N ATOM 940 CA ASP A 61 12.747 -1.373 6.813 1.00 0.15 C ATOM 941 C ASP A 61 12.089 -2.646 6.291 1.00 0.14 C ATOM 942 O ASP A 61 12.204 -3.708 6.873 1.00 0.19 O ATOM 943 CB ASP A 61 11.952 -0.843 8.013 1.00 0.16 C ATOM 944 CG ASP A 61 12.650 0.393 8.586 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.705 0.741 8.080 1.00 1.07 O ATOM 946 OD2 ASP A 61 12.117 0.969 9.519 1.00 1.01 O ATOM 0 H ASP A 61 11.919 0.208 5.616 1.00 0.13 H new ATOM 0 HA ASP A 61 13.768 -1.576 7.136 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.937 -0.591 7.707 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.871 -1.615 8.778 1.00 0.16 H new ATOM 951 N ALA A 62 11.405 -2.536 5.183 1.00 0.11 N ATOM 952 CA ALA A 62 10.730 -3.715 4.565 1.00 0.12 C ATOM 953 C ALA A 62 11.248 -3.843 3.134 1.00 0.11 C ATOM 954 O ALA A 62 10.519 -4.147 2.211 1.00 0.12 O ATOM 955 CB ALA A 62 9.208 -3.507 4.572 1.00 0.14 C ATOM 0 H ALA A 62 11.284 -1.662 4.671 1.00 0.11 H new ATOM 0 HA ALA A 62 10.946 -4.625 5.125 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.721 -4.371 4.120 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.861 -3.391 5.599 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.961 -2.611 4.002 1.00 0.14 H new ATOM 961 N GLN A 63 12.510 -3.587 2.956 1.00 0.11 N ATOM 962 CA GLN A 63 13.117 -3.658 1.602 1.00 0.12 C ATOM 963 C GLN A 63 12.954 -5.075 1.046 1.00 0.12 C ATOM 964 O GLN A 63 13.025 -5.293 -0.144 1.00 0.14 O ATOM 965 CB GLN A 63 14.603 -3.296 1.709 1.00 0.13 C ATOM 966 CG GLN A 63 15.349 -4.401 2.461 1.00 0.15 C ATOM 967 CD GLN A 63 16.757 -3.920 2.817 1.00 0.77 C ATOM 968 OE1 GLN A 63 16.979 -3.392 3.889 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.724 -4.084 1.956 1.00 1.43 N ATOM 0 H GLN A 63 13.156 -3.328 3.702 1.00 0.11 H new ATOM 0 HA GLN A 63 12.622 -2.959 0.928 1.00 0.12 H new ATOM 0 HB2 GLN A 63 15.029 -3.168 0.714 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.719 -2.346 2.230 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.805 -4.669 3.367 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.405 -5.299 1.846 1.00 0.15 H new ATOM 0 HE21 GLN A 63 17.536 -4.527 1.057 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.667 -3.769 2.182 1.00 1.43 H new ATOM 978 N ASP A 64 12.729 -6.038 1.896 1.00 0.13 N ATOM 979 CA ASP A 64 12.550 -7.433 1.412 1.00 0.13 C ATOM 980 C ASP A 64 11.294 -7.505 0.541 1.00 0.15 C ATOM 981 O ASP A 64 11.265 -8.178 -0.470 1.00 0.16 O ATOM 982 CB ASP A 64 12.408 -8.376 2.611 1.00 0.17 C ATOM 983 CG ASP A 64 11.355 -7.837 3.578 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.222 -7.692 3.161 1.00 1.05 O ATOM 985 OD2 ASP A 64 11.697 -7.590 4.722 1.00 1.02 O ATOM 0 H ASP A 64 12.661 -5.918 2.907 1.00 0.13 H new ATOM 0 HA ASP A 64 13.417 -7.734 0.823 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.124 -9.372 2.270 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.366 -8.475 3.122 1.00 0.17 H new ATOM 990 N VAL A 65 10.255 -6.809 0.921 1.00 0.17 N ATOM 991 CA VAL A 65 9.008 -6.833 0.110 1.00 0.22 C ATOM 992 C VAL A 65 9.227 -6.017 -1.163 1.00 0.22 C ATOM 993 O VAL A 65 8.819 -6.396 -2.243 1.00 0.26 O ATOM 994 CB VAL A 65 7.858 -6.188 0.899 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.545 -6.395 0.136 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.755 -6.810 2.305 1.00 0.32 C ATOM 0 H VAL A 65 10.218 -6.226 1.757 1.00 0.17 H new ATOM 0 HA VAL A 65 8.760 -7.867 -0.130 1.00 0.22 H new ATOM 0 HB VAL A 65 8.053 -5.121 1.009 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.726 -5.939 0.692 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.619 -5.931 -0.848 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.356 -7.462 0.021 1.00 0.35 H new ATOM 0 HG21 VAL A 65 6.936 -6.342 2.851 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.568 -7.880 2.217 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.689 -6.648 2.844 1.00 0.32 H new ATOM 1006 N ALA A 66 9.849 -4.877 -1.030 1.00 0.19 N ATOM 1007 CA ALA A 66 10.081 -4.000 -2.211 1.00 0.22 C ATOM 1008 C ALA A 66 11.089 -4.635 -3.175 1.00 0.23 C ATOM 1009 O ALA A 66 10.935 -4.558 -4.378 1.00 0.26 O ATOM 1010 CB ALA A 66 10.603 -2.641 -1.735 1.00 0.25 C ATOM 0 H ALA A 66 10.209 -4.514 -0.147 1.00 0.19 H new ATOM 0 HA ALA A 66 9.138 -3.870 -2.742 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.774 -1.995 -2.596 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.868 -2.179 -1.076 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.539 -2.780 -1.194 1.00 0.25 H new ATOM 1016 N SER A 67 12.124 -5.250 -2.672 1.00 0.21 N ATOM 1017 CA SER A 67 13.120 -5.870 -3.592 1.00 0.23 C ATOM 1018 C SER A 67 12.410 -6.923 -4.438 1.00 0.23 C ATOM 1019 O SER A 67 12.675 -7.076 -5.614 1.00 0.24 O ATOM 1020 CB SER A 67 14.233 -6.531 -2.778 1.00 0.23 C ATOM 1021 OG SER A 67 13.676 -7.570 -1.984 1.00 0.22 O ATOM 0 H SER A 67 12.322 -5.350 -1.676 1.00 0.21 H new ATOM 0 HA SER A 67 13.558 -5.107 -4.235 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.996 -6.935 -3.443 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.722 -5.793 -2.142 1.00 0.23 H new ATOM 0 HG SER A 67 12.795 -7.294 -1.656 1.00 0.22 H new ATOM 1027 N GLU A 68 11.489 -7.632 -3.850 1.00 0.23 N ATOM 1028 CA GLU A 68 10.732 -8.660 -4.611 1.00 0.25 C ATOM 1029 C GLU A 68 9.879 -7.968 -5.678 1.00 0.22 C ATOM 1030 O GLU A 68 9.677 -8.483 -6.759 1.00 0.24 O ATOM 1031 CB GLU A 68 9.832 -9.445 -3.645 1.00 0.29 C ATOM 1032 CG GLU A 68 9.061 -10.528 -4.408 1.00 0.32 C ATOM 1033 CD GLU A 68 8.113 -11.255 -3.453 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.326 -10.584 -2.805 1.00 2.06 O ATOM 1035 OE2 GLU A 68 8.186 -12.472 -3.391 1.00 1.96 O ATOM 0 H GLU A 68 11.227 -7.542 -2.868 1.00 0.23 H new ATOM 0 HA GLU A 68 11.423 -9.350 -5.095 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.437 -9.902 -2.862 1.00 0.29 H new ATOM 0 HB3 GLU A 68 9.133 -8.767 -3.154 1.00 0.29 H new ATOM 0 HG2 GLU A 68 8.496 -10.079 -5.225 1.00 0.32 H new ATOM 0 HG3 GLU A 68 9.757 -11.238 -4.855 1.00 0.32 H new ATOM 1042 N ALA A 69 9.352 -6.810 -5.367 1.00 0.20 N ATOM 1043 CA ALA A 69 8.487 -6.086 -6.346 1.00 0.20 C ATOM 1044 C ALA A 69 9.322 -5.191 -7.268 1.00 0.19 C ATOM 1045 O ALA A 69 8.790 -4.549 -8.151 1.00 0.20 O ATOM 1046 CB ALA A 69 7.483 -5.222 -5.583 1.00 0.23 C ATOM 0 H ALA A 69 9.485 -6.334 -4.474 1.00 0.20 H new ATOM 0 HA ALA A 69 7.969 -6.823 -6.959 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.848 -4.690 -6.292 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.865 -5.857 -4.948 1.00 0.23 H new ATOM 0 HB3 ALA A 69 8.019 -4.502 -4.965 1.00 0.23 H new ATOM 1052 N GLU A 70 10.614 -5.127 -7.080 1.00 0.18 N ATOM 1053 CA GLU A 70 11.441 -4.255 -7.969 1.00 0.18 C ATOM 1054 C GLU A 70 10.864 -2.846 -7.990 1.00 0.17 C ATOM 1055 O GLU A 70 10.652 -2.272 -9.041 1.00 0.18 O ATOM 1056 CB GLU A 70 11.457 -4.805 -9.397 1.00 0.22 C ATOM 1057 CG GLU A 70 12.265 -6.096 -9.446 1.00 0.24 C ATOM 1058 CD GLU A 70 11.484 -7.216 -8.760 1.00 1.24 C ATOM 1059 OE1 GLU A 70 10.267 -7.189 -8.826 1.00 2.02 O ATOM 1060 OE2 GLU A 70 12.118 -8.081 -8.177 1.00 2.02 O ATOM 0 H GLU A 70 11.128 -5.633 -6.359 1.00 0.18 H new ATOM 0 HA GLU A 70 12.459 -4.236 -7.580 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.438 -4.990 -9.736 1.00 0.22 H new ATOM 0 HB3 GLU A 70 11.889 -4.069 -10.075 1.00 0.22 H new ATOM 0 HG2 GLU A 70 12.475 -6.366 -10.481 1.00 0.24 H new ATOM 0 HG3 GLU A 70 13.226 -5.954 -8.952 1.00 0.24 H new ATOM 1067 N VAL A 71 10.603 -2.273 -6.852 1.00 0.15 N ATOM 1068 CA VAL A 71 10.028 -0.905 -6.855 1.00 0.14 C ATOM 1069 C VAL A 71 11.057 0.052 -7.447 1.00 0.14 C ATOM 1070 O VAL A 71 12.221 0.031 -7.091 1.00 0.16 O ATOM 1071 CB VAL A 71 9.697 -0.479 -5.423 1.00 0.13 C ATOM 1072 CG1 VAL A 71 9.003 0.883 -5.456 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.758 -1.513 -4.790 1.00 0.15 C ATOM 0 H VAL A 71 10.760 -2.686 -5.933 1.00 0.15 H new ATOM 0 HA VAL A 71 9.114 -0.888 -7.449 1.00 0.14 H new ATOM 0 HB VAL A 71 10.613 -0.412 -4.836 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.764 1.194 -4.439 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.665 1.618 -5.914 1.00 0.14 H new ATOM 0 HG13 VAL A 71 8.085 0.809 -6.039 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.520 -1.212 -3.770 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.839 -1.575 -5.373 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.246 -2.488 -4.777 1.00 0.15 H new ATOM 1083 N LYS A 72 10.635 0.879 -8.368 1.00 0.15 N ATOM 1084 CA LYS A 72 11.569 1.840 -9.016 1.00 0.16 C ATOM 1085 C LYS A 72 11.335 3.244 -8.457 1.00 0.15 C ATOM 1086 O LYS A 72 12.132 4.139 -8.660 1.00 0.16 O ATOM 1087 CB LYS A 72 11.324 1.832 -10.531 1.00 0.19 C ATOM 1088 CG LYS A 72 11.588 0.426 -11.108 1.00 0.23 C ATOM 1089 CD LYS A 72 13.099 0.189 -11.254 1.00 0.74 C ATOM 1090 CE LYS A 72 13.344 -1.097 -12.042 1.00 0.88 C ATOM 1091 NZ LYS A 72 14.813 -1.334 -12.142 1.00 1.60 N ATOM 0 H LYS A 72 9.672 0.928 -8.701 1.00 0.15 H new ATOM 0 HA LYS A 72 12.599 1.547 -8.812 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.298 2.132 -10.742 1.00 0.19 H new ATOM 0 HB3 LYS A 72 11.975 2.560 -11.016 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.155 -0.331 -10.454 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.101 0.325 -12.078 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.562 1.034 -11.764 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.563 0.118 -10.270 1.00 0.74 H new ATOM 0 HE2 LYS A 72 12.860 -1.939 -11.548 1.00 0.88 H new ATOM 0 HE3 LYS A 72 12.907 -1.017 -13.037 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 14.988 -2.208 -12.677 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 15.261 -0.533 -12.631 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 15.216 -1.426 -11.188 1.00 1.60 H new ATOM 1105 N ALA A 73 10.256 3.451 -7.747 1.00 0.13 N ATOM 1106 CA ALA A 73 10.003 4.806 -7.180 1.00 0.13 C ATOM 1107 C ALA A 73 8.936 4.737 -6.072 1.00 0.11 C ATOM 1108 O ALA A 73 8.102 3.856 -6.051 1.00 0.12 O ATOM 1109 CB ALA A 73 9.537 5.736 -8.316 1.00 0.14 C ATOM 0 H ALA A 73 9.547 2.748 -7.538 1.00 0.13 H new ATOM 0 HA ALA A 73 10.920 5.195 -6.738 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.348 6.732 -7.916 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.312 5.793 -9.080 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.621 5.342 -8.756 1.00 0.14 H new ATOM 1115 N THR A 74 8.949 5.691 -5.170 1.00 0.11 N ATOM 1116 CA THR A 74 7.935 5.739 -4.064 1.00 0.11 C ATOM 1117 C THR A 74 7.339 7.155 -4.025 1.00 0.12 C ATOM 1118 O THR A 74 8.005 8.094 -4.394 1.00 0.15 O ATOM 1119 CB THR A 74 8.644 5.458 -2.723 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.473 6.557 -2.396 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.487 4.193 -2.825 1.00 0.14 C ATOM 0 H THR A 74 9.630 6.451 -5.153 1.00 0.11 H new ATOM 0 HA THR A 74 7.153 4.998 -4.229 1.00 0.11 H new ATOM 0 HB THR A 74 7.894 5.316 -1.945 1.00 0.12 H new ATOM 0 HG1 THR A 74 10.403 6.342 -2.616 1.00 0.15 H new ATOM 0 HG21 THR A 74 9.981 4.007 -1.871 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.845 3.347 -3.072 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.238 4.318 -3.605 1.00 0.14 H new ATOM 1129 N PRO A 75 6.129 7.341 -3.537 1.00 0.13 N ATOM 1130 CA PRO A 75 5.243 6.238 -3.059 1.00 0.10 C ATOM 1131 C PRO A 75 4.603 5.445 -4.210 1.00 0.09 C ATOM 1132 O PRO A 75 4.236 5.997 -5.230 1.00 0.10 O ATOM 1133 CB PRO A 75 4.188 7.015 -2.249 1.00 0.12 C ATOM 1134 CG PRO A 75 4.225 8.479 -2.714 1.00 0.15 C ATOM 1135 CD PRO A 75 5.565 8.716 -3.431 1.00 0.16 C ATOM 0 HA PRO A 75 5.775 5.476 -2.490 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.197 6.589 -2.405 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.400 6.947 -1.182 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.392 8.687 -3.385 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.124 9.152 -1.863 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.425 9.172 -4.411 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.217 9.378 -2.861 1.00 0.16 H new ATOM 1143 N THR A 76 4.448 4.154 -4.033 1.00 0.09 N ATOM 1144 CA THR A 76 3.810 3.300 -5.087 1.00 0.09 C ATOM 1145 C THR A 76 2.700 2.483 -4.440 1.00 0.10 C ATOM 1146 O THR A 76 2.856 1.952 -3.359 1.00 0.12 O ATOM 1147 CB THR A 76 4.843 2.354 -5.711 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.904 3.119 -6.259 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.181 1.530 -6.820 1.00 0.13 C ATOM 0 H THR A 76 4.739 3.650 -3.195 1.00 0.09 H new ATOM 0 HA THR A 76 3.406 3.937 -5.874 1.00 0.09 H new ATOM 0 HB THR A 76 5.232 1.682 -4.946 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.592 3.260 -5.576 1.00 0.11 H new ATOM 0 HG21 THR A 76 4.916 0.858 -7.263 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.362 0.946 -6.400 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.793 2.199 -7.588 1.00 0.13 H new ATOM 1157 N PHE A 77 1.571 2.404 -5.082 1.00 0.10 N ATOM 1158 CA PHE A 77 0.423 1.640 -4.509 1.00 0.10 C ATOM 1159 C PHE A 77 0.226 0.356 -5.309 1.00 0.10 C ATOM 1160 O PHE A 77 0.129 0.385 -6.517 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.835 2.497 -4.629 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.622 3.780 -3.871 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.058 4.881 -4.526 1.00 0.14 C ATOM 1164 CD2 PHE A 77 -0.978 3.869 -2.521 1.00 0.18 C ATOM 1165 CE1 PHE A 77 0.152 6.078 -3.828 1.00 0.16 C ATOM 1166 CE2 PHE A 77 -0.769 5.066 -1.822 1.00 0.20 C ATOM 1167 CZ PHE A 77 -0.203 6.171 -2.475 1.00 0.19 C ATOM 0 H PHE A 77 1.389 2.838 -5.987 1.00 0.10 H new ATOM 0 HA PHE A 77 0.618 1.395 -3.465 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -1.049 2.709 -5.677 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.696 1.961 -4.230 1.00 0.13 H new ATOM 0 HD1 PHE A 77 0.215 4.808 -5.568 1.00 0.14 H new ATOM 0 HD2 PHE A 77 -1.413 3.018 -2.019 1.00 0.18 H new ATOM 0 HE1 PHE A 77 0.587 6.928 -4.332 1.00 0.16 H new ATOM 0 HE2 PHE A 77 -1.044 5.138 -0.780 1.00 0.20 H new ATOM 0 HZ PHE A 77 -0.041 7.093 -1.936 1.00 0.19 H new ATOM 1177 N GLN A 78 0.136 -0.770 -4.644 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.082 -2.063 -5.362 1.00 0.09 C ATOM 1179 C GLN A 78 -1.351 -2.695 -4.823 1.00 0.08 C ATOM 1180 O GLN A 78 -1.598 -2.709 -3.632 1.00 0.09 O ATOM 1181 CB GLN A 78 1.100 -3.005 -5.124 1.00 0.09 C ATOM 1182 CG GLN A 78 2.331 -2.498 -5.872 1.00 0.12 C ATOM 1183 CD GLN A 78 3.466 -3.505 -5.699 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.223 -4.675 -5.478 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.703 -3.101 -5.780 1.00 0.29 N ATOM 0 H GLN A 78 0.205 -0.848 -3.629 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.170 -1.882 -6.433 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.314 -3.071 -4.057 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.848 -4.010 -5.461 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.102 -2.367 -6.930 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.630 -1.523 -5.487 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.908 -2.119 -5.965 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.466 -3.767 -5.658 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.169 -3.203 -5.697 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.452 -3.826 -5.260 1.00 0.07 C ATOM 1196 C PHE A 79 -3.355 -5.337 -5.329 1.00 0.07 C ATOM 1197 O PHE A 79 -2.887 -5.897 -6.298 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.564 -3.341 -6.179 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.722 -1.862 -5.965 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.840 -0.972 -6.586 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.727 -1.382 -5.122 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.969 0.402 -6.368 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.853 -0.009 -4.900 1.00 0.14 C ATOM 1204 CZ PHE A 79 -4.974 0.885 -5.524 1.00 0.12 C ATOM 0 H PHE A 79 -2.006 -3.215 -6.704 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.664 -3.541 -4.229 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.319 -3.553 -7.220 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.496 -3.861 -5.959 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.060 -1.346 -7.233 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.406 -2.072 -4.643 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.292 1.091 -6.851 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.628 0.363 -4.247 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.072 1.947 -5.353 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.819 -5.995 -4.301 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.791 -7.483 -4.265 1.00 0.08 C ATOM 1216 C PHE A 80 -5.193 -8.005 -4.011 1.00 0.09 C ATOM 1217 O PHE A 80 -5.994 -7.381 -3.343 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.855 -7.953 -3.150 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.429 -7.656 -3.535 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.844 -6.428 -3.194 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.680 -8.623 -4.220 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.485 -6.171 -3.542 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.649 -8.364 -4.562 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.233 -7.139 -4.222 1.00 0.15 C ATOM 0 H PHE A 80 -4.222 -5.556 -3.473 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.429 -7.864 -5.220 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -3.103 -7.450 -2.216 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.982 -9.022 -2.980 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.419 -5.683 -2.664 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.131 -9.568 -4.483 1.00 0.12 H new ATOM 0 HE1 PHE A 80 0.936 -5.224 -3.286 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.226 -9.109 -5.089 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.262 -6.940 -4.484 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.494 -9.157 -4.536 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.843 -9.742 -4.329 1.00 0.12 C ATOM 1236 C LYS A 81 -6.670 -11.252 -4.270 1.00 0.11 C ATOM 1237 O LYS A 81 -6.120 -11.850 -5.169 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.741 -9.361 -5.515 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.212 -9.664 -5.190 1.00 0.26 C ATOM 1240 CD LYS A 81 -9.794 -8.576 -4.275 1.00 0.73 C ATOM 1241 CE LYS A 81 -11.316 -8.697 -4.242 1.00 1.02 C ATOM 1242 NZ LYS A 81 -11.882 -8.208 -5.530 1.00 1.68 N ATOM 0 H LYS A 81 -4.860 -9.721 -5.102 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.303 -9.374 -3.412 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.623 -8.302 -5.744 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.436 -9.915 -6.403 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.791 -9.720 -6.112 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.291 -10.637 -4.704 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.389 -8.678 -3.268 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -9.505 -7.589 -4.637 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -11.605 -9.735 -4.076 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -11.719 -8.117 -3.412 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -12.886 -7.969 -5.400 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -11.362 -7.362 -5.839 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -11.794 -8.951 -6.252 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.094 -11.866 -3.207 1.00 0.12 N ATOM 1257 CA LYS A 82 -6.918 -13.340 -3.080 1.00 0.13 C ATOM 1258 C LYS A 82 -5.420 -13.647 -3.190 1.00 0.13 C ATOM 1259 O LYS A 82 -5.025 -14.718 -3.603 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.676 -14.090 -4.191 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.183 -13.838 -4.070 1.00 0.20 C ATOM 1262 CD LYS A 82 -9.949 -14.928 -4.825 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.405 -14.494 -5.015 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.147 -15.556 -5.753 1.00 1.22 N ATOM 0 H LYS A 82 -7.556 -11.414 -2.418 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.318 -13.670 -2.121 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.323 -13.761 -5.168 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.472 -15.159 -4.122 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.478 -13.833 -3.021 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.432 -12.857 -4.476 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.484 -15.109 -5.794 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -9.908 -15.866 -4.271 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -11.872 -14.315 -4.046 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.447 -13.555 -5.567 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.136 -15.262 -5.883 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -11.706 -15.706 -6.683 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -12.117 -16.442 -5.209 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.583 -12.709 -2.822 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.111 -12.933 -2.901 1.00 0.16 C ATOM 1280 C GLY A 83 -2.613 -12.721 -4.330 1.00 0.16 C ATOM 1281 O GLY A 83 -1.485 -13.043 -4.646 1.00 0.23 O ATOM 0 H GLY A 83 -4.860 -11.793 -2.469 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.597 -12.250 -2.225 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -2.873 -13.945 -2.573 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.438 -12.179 -5.196 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.008 -11.949 -6.616 1.00 0.15 C ATOM 1287 C GLN A 84 -2.910 -10.454 -6.893 1.00 0.12 C ATOM 1288 O GLN A 84 -3.798 -9.697 -6.567 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.043 -12.542 -7.583 1.00 0.20 C ATOM 1290 CG GLN A 84 -4.241 -14.036 -7.306 1.00 0.33 C ATOM 1291 CD GLN A 84 -2.941 -14.794 -7.563 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -2.802 -15.470 -8.562 1.00 0.95 O ATOM 1293 NE2 GLN A 84 -1.979 -14.710 -6.693 1.00 2.07 N ATOM 0 H GLN A 84 -4.391 -11.886 -4.982 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.039 -12.427 -6.761 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -4.992 -12.017 -7.476 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.713 -12.397 -8.612 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -4.559 -14.183 -6.274 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -5.033 -14.430 -7.943 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -2.098 -14.142 -5.854 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -1.105 -15.213 -6.849 1.00 2.07 H new ATOM 1302 N LYS A 85 -1.852 -10.026 -7.528 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.718 -8.577 -7.847 1.00 0.12 C ATOM 1304 C LYS A 85 -2.573 -8.284 -9.074 1.00 0.14 C ATOM 1305 O LYS A 85 -2.424 -8.907 -10.107 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.256 -8.258 -8.149 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.096 -6.753 -8.372 1.00 0.20 C ATOM 1308 CD LYS A 85 1.339 -6.442 -8.798 1.00 0.28 C ATOM 1309 CE LYS A 85 2.307 -6.718 -7.643 1.00 1.28 C ATOM 1310 NZ LYS A 85 3.590 -6.003 -7.892 1.00 1.82 N ATOM 0 H LYS A 85 -1.079 -10.614 -7.838 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.045 -7.967 -7.005 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.376 -8.583 -7.323 1.00 0.17 H new ATOM 0 HB3 LYS A 85 0.071 -8.804 -9.034 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -0.794 -6.413 -9.137 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.339 -6.213 -7.457 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.609 -7.050 -9.661 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.417 -5.399 -9.106 1.00 0.28 H new ATOM 0 HE2 LYS A 85 1.870 -6.387 -6.701 1.00 1.28 H new ATOM 0 HE3 LYS A 85 2.486 -7.789 -7.552 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 4.310 -6.683 -8.209 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 3.448 -5.281 -8.627 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 3.908 -5.545 -7.014 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.482 -7.349 -8.957 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.378 -7.006 -10.101 1.00 0.18 C ATOM 1326 C VAL A 86 -4.289 -5.510 -10.421 1.00 0.17 C ATOM 1327 O VAL A 86 -5.094 -4.986 -11.164 1.00 0.22 O ATOM 1328 CB VAL A 86 -5.819 -7.378 -9.738 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -5.931 -8.900 -9.577 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.209 -6.705 -8.419 1.00 0.26 C ATOM 0 H VAL A 86 -3.642 -6.804 -8.110 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.064 -7.565 -10.983 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.486 -7.041 -10.532 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -6.957 -9.164 -9.319 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -5.656 -9.386 -10.513 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.260 -9.232 -8.785 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.235 -6.972 -8.164 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.539 -7.040 -7.627 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.131 -5.623 -8.526 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.328 -4.807 -9.875 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.238 -3.348 -10.190 1.00 0.17 C ATOM 1342 C GLY A 87 -2.050 -2.692 -9.478 1.00 0.12 C ATOM 1343 O GLY A 87 -1.623 -3.119 -8.424 1.00 0.17 O ATOM 0 H GLY A 87 -2.617 -5.169 -9.239 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.138 -3.213 -11.267 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.162 -2.852 -9.891 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.528 -1.637 -10.057 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.377 -0.908 -9.443 1.00 0.13 C ATOM 1349 C GLU A 88 -0.180 0.437 -10.144 1.00 0.11 C ATOM 1350 O GLU A 88 -0.408 0.571 -11.330 1.00 0.14 O ATOM 1351 CB GLU A 88 0.910 -1.745 -9.560 1.00 0.21 C ATOM 1352 CG GLU A 88 2.139 -0.902 -9.168 1.00 0.58 C ATOM 1353 CD GLU A 88 3.389 -1.781 -9.163 1.00 1.13 C ATOM 1354 OE1 GLU A 88 3.263 -2.961 -9.445 1.00 1.93 O ATOM 1355 OE2 GLU A 88 4.455 -1.257 -8.883 1.00 1.87 O ATOM 0 H GLU A 88 -1.856 -1.247 -10.940 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.594 -0.738 -8.388 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.841 -2.621 -8.915 1.00 0.21 H new ATOM 0 HB3 GLU A 88 1.022 -2.110 -10.581 1.00 0.21 H new ATOM 0 HG2 GLU A 88 2.265 -0.078 -9.870 1.00 0.58 H new ATOM 0 HG3 GLU A 88 1.990 -0.461 -8.183 1.00 0.58 H new ATOM 1362 N PHE A 89 0.292 1.419 -9.424 1.00 0.10 N ATOM 1363 CA PHE A 89 0.566 2.740 -10.065 1.00 0.09 C ATOM 1364 C PHE A 89 1.462 3.569 -9.142 1.00 0.10 C ATOM 1365 O PHE A 89 1.597 3.276 -7.972 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.732 3.493 -10.356 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.391 3.989 -9.089 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.920 5.161 -8.478 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.507 3.328 -8.562 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.565 5.672 -7.345 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -3.147 3.834 -7.420 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.678 5.010 -6.814 1.00 0.14 C ATOM 0 H PHE A 89 0.499 1.366 -8.427 1.00 0.10 H new ATOM 0 HA PHE A 89 1.071 2.571 -11.016 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.522 4.338 -11.011 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.420 2.838 -10.891 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.058 5.670 -8.883 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.875 2.429 -9.034 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -1.203 6.578 -6.881 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -4.001 3.318 -7.007 1.00 0.13 H new ATOM 0 HZ PHE A 89 -3.175 5.403 -5.940 1.00 0.14 H new ATOM 1382 N SER A 90 2.089 4.596 -9.671 1.00 0.10 N ATOM 1383 CA SER A 90 3.006 5.454 -8.850 1.00 0.10 C ATOM 1384 C SER A 90 2.589 6.916 -8.945 1.00 0.09 C ATOM 1385 O SER A 90 1.889 7.321 -9.852 1.00 0.11 O ATOM 1386 CB SER A 90 4.438 5.329 -9.367 1.00 0.11 C ATOM 1387 OG SER A 90 4.489 5.748 -10.725 1.00 0.12 O ATOM 0 H SER A 90 2.003 4.879 -10.647 1.00 0.10 H new ATOM 0 HA SER A 90 2.949 5.120 -7.814 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.109 5.938 -8.762 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.779 4.297 -9.280 1.00 0.11 H new ATOM 0 HG SER A 90 5.408 5.670 -11.057 1.00 0.12 H new ATOM 1393 N GLY A 91 3.027 7.711 -8.002 1.00 0.09 N ATOM 1394 CA GLY A 91 2.685 9.164 -8.001 1.00 0.09 C ATOM 1395 C GLY A 91 1.899 9.501 -6.736 1.00 0.10 C ATOM 1396 O GLY A 91 1.061 8.743 -6.293 1.00 0.12 O ATOM 0 H GLY A 91 3.614 7.410 -7.224 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.595 9.763 -8.047 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.096 9.411 -8.884 1.00 0.09 H new ATOM 1400 N ALA A 92 2.173 10.630 -6.145 1.00 0.11 N ATOM 1401 CA ALA A 92 1.455 11.012 -4.901 1.00 0.14 C ATOM 1402 C ALA A 92 0.046 11.548 -5.218 1.00 0.13 C ATOM 1403 O ALA A 92 -0.248 12.701 -4.975 1.00 0.17 O ATOM 1404 CB ALA A 92 2.263 12.106 -4.203 1.00 0.18 C ATOM 0 H ALA A 92 2.865 11.305 -6.472 1.00 0.11 H new ATOM 0 HA ALA A 92 1.349 10.134 -4.263 1.00 0.14 H new ATOM 0 HB1 ALA A 92 1.756 12.404 -3.285 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.256 11.727 -3.962 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.354 12.968 -4.863 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.839 10.707 -5.713 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.246 11.149 -6.001 1.00 0.14 C ATOM 1412 C ASN A 93 -3.166 10.329 -5.091 1.00 0.13 C ATOM 1413 O ASN A 93 -3.491 9.194 -5.373 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.575 10.891 -7.479 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.904 11.560 -7.851 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.380 11.414 -8.961 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -4.533 12.290 -6.969 1.00 0.75 N ATOM 0 H ASN A 93 -0.645 9.729 -5.930 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.376 12.215 -5.812 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.775 11.279 -8.110 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.635 9.818 -7.664 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -5.418 12.734 -7.213 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -4.139 12.416 -6.037 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.544 10.891 -3.974 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.401 10.154 -2.997 1.00 0.15 C ATOM 1426 C LYS A 94 -5.830 9.930 -3.513 1.00 0.15 C ATOM 1427 O LYS A 94 -6.420 8.892 -3.278 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.453 10.971 -1.704 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.816 12.453 -1.997 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.606 13.357 -1.726 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.019 14.816 -1.901 1.00 0.59 C ATOM 1432 NZ LYS A 94 -2.838 15.701 -1.679 1.00 1.06 N ATOM 0 H LYS A 94 -3.293 11.839 -3.693 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.964 9.169 -2.835 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -5.190 10.539 -1.026 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.488 10.922 -1.199 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.134 12.559 -3.034 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.656 12.760 -1.373 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.232 13.191 -0.716 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.794 13.112 -2.410 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.421 14.973 -2.902 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.812 15.067 -1.196 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.121 16.694 -1.799 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.474 15.558 -0.715 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -2.095 15.468 -2.368 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.392 10.875 -4.209 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.778 10.697 -4.722 1.00 0.15 C ATOM 1448 C GLU A 95 -7.814 9.527 -5.704 1.00 0.15 C ATOM 1449 O GLU A 95 -8.821 8.873 -5.879 1.00 0.16 O ATOM 1450 CB GLU A 95 -8.225 11.983 -5.424 1.00 0.17 C ATOM 1451 CG GLU A 95 -8.206 13.146 -4.427 1.00 0.19 C ATOM 1452 CD GLU A 95 -9.310 12.944 -3.383 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -10.313 12.335 -3.719 1.00 1.61 O ATOM 1454 OE2 GLU A 95 -9.133 13.403 -2.266 1.00 1.55 O ATOM 0 H GLU A 95 -5.952 11.764 -4.446 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.453 10.485 -3.893 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.564 12.200 -6.263 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -9.228 11.857 -5.832 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -7.234 13.203 -3.937 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -8.355 14.090 -4.951 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.723 9.283 -6.361 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.667 8.176 -7.357 1.00 0.15 C ATOM 1463 C LYS A 96 -6.876 6.834 -6.649 1.00 0.14 C ATOM 1464 O LYS A 96 -7.467 5.921 -7.191 1.00 0.15 O ATOM 1465 CB LYS A 96 -5.295 8.226 -8.028 1.00 0.16 C ATOM 1466 CG LYS A 96 -5.312 7.477 -9.373 1.00 0.21 C ATOM 1467 CD LYS A 96 -4.145 7.960 -10.254 1.00 0.25 C ATOM 1468 CE LYS A 96 -2.851 7.294 -9.818 1.00 0.82 C ATOM 1469 NZ LYS A 96 -2.954 5.832 -10.069 1.00 1.45 N ATOM 0 H LYS A 96 -5.855 9.807 -6.253 1.00 0.14 H new ATOM 0 HA LYS A 96 -7.451 8.285 -8.106 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -5.002 9.264 -8.189 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.548 7.782 -7.370 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -5.231 6.403 -9.203 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -6.260 7.648 -9.883 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -4.348 7.728 -11.299 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -4.048 9.043 -10.181 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -2.008 7.712 -10.368 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -2.667 7.483 -8.760 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -2.913 5.321 -9.164 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -3.856 5.624 -10.544 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -2.166 5.527 -10.675 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.408 6.714 -5.435 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.596 5.444 -4.683 1.00 0.13 C ATOM 1485 C LEU A 97 -8.084 5.168 -4.595 1.00 0.14 C ATOM 1486 O LEU A 97 -8.544 4.048 -4.686 1.00 0.15 O ATOM 1487 CB LEU A 97 -6.080 5.621 -3.249 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.546 5.639 -3.215 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -4.070 6.291 -1.902 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -3.995 4.190 -3.309 1.00 0.19 C ATOM 0 H LEU A 97 -5.903 7.444 -4.933 1.00 0.13 H new ATOM 0 HA LEU A 97 -6.063 4.636 -5.184 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.468 6.550 -2.831 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.452 4.810 -2.622 1.00 0.13 H new ATOM 0 HG LEU A 97 -4.175 6.214 -4.063 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.980 6.304 -1.877 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.447 7.312 -1.845 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.446 5.718 -1.054 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.906 4.213 -3.284 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.365 3.605 -2.467 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.327 3.734 -4.242 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.835 6.204 -4.400 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.307 6.047 -4.268 1.00 0.15 C ATOM 1504 C GLU A 98 -10.883 5.435 -5.541 1.00 0.16 C ATOM 1505 O GLU A 98 -11.746 4.579 -5.492 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.930 7.426 -4.026 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.433 7.286 -3.756 1.00 0.21 C ATOM 1508 CD GLU A 98 -13.191 7.060 -5.070 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.669 7.430 -6.109 1.00 2.10 O ATOM 1510 OE2 GLU A 98 -14.284 6.522 -5.012 1.00 2.00 O ATOM 0 H GLU A 98 -8.494 7.162 -4.325 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.533 5.386 -3.431 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.444 7.909 -3.179 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.767 8.065 -4.894 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.611 6.452 -3.077 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.806 8.184 -3.263 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.430 5.871 -6.681 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.972 5.318 -7.954 1.00 0.17 C ATOM 1519 C ALA A 99 -10.563 3.856 -8.133 1.00 0.16 C ATOM 1520 O ALA A 99 -11.360 3.027 -8.525 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.446 6.140 -9.132 1.00 0.19 C ATOM 0 H ALA A 99 -9.709 6.585 -6.788 1.00 0.16 H new ATOM 0 HA ALA A 99 -12.060 5.371 -7.917 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.842 5.736 -10.063 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.763 7.177 -9.022 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.357 6.094 -9.151 1.00 0.19 H new ATOM 1527 N THR A 100 -9.329 3.527 -7.869 1.00 0.16 N ATOM 1528 CA THR A 100 -8.895 2.113 -8.052 1.00 0.16 C ATOM 1529 C THR A 100 -9.621 1.225 -7.037 1.00 0.15 C ATOM 1530 O THR A 100 -10.062 0.138 -7.354 1.00 0.15 O ATOM 1531 CB THR A 100 -7.381 2.009 -7.861 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.738 2.989 -8.665 1.00 0.19 O ATOM 1533 CG2 THR A 100 -6.912 0.619 -8.292 1.00 0.20 C ATOM 0 H THR A 100 -8.608 4.168 -7.538 1.00 0.16 H new ATOM 0 HA THR A 100 -9.144 1.780 -9.060 1.00 0.16 H new ATOM 0 HB THR A 100 -7.132 2.172 -6.812 1.00 0.17 H new ATOM 0 HG1 THR A 100 -5.768 2.926 -8.544 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.833 0.541 -8.157 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.409 -0.137 -7.685 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.159 0.461 -9.342 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.779 1.692 -5.828 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.509 0.882 -4.804 1.00 0.13 C ATOM 1543 C ILE A 101 -11.928 0.659 -5.313 1.00 0.14 C ATOM 1544 O ILE A 101 -12.423 -0.446 -5.346 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.555 1.654 -3.476 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.150 1.703 -2.855 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.518 0.965 -2.504 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -9.089 2.814 -1.801 1.00 0.16 C ATOM 0 H ILE A 101 -9.436 2.596 -5.503 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.007 -0.071 -4.640 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.903 2.669 -3.668 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.910 0.743 -2.399 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.405 1.883 -3.630 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.545 1.518 -1.565 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.517 0.939 -2.939 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.178 -0.053 -2.315 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -8.091 2.846 -1.363 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.310 3.773 -2.270 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.822 2.615 -1.019 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.571 1.713 -5.727 1.00 0.17 N ATOM 1561 CA ASN A 102 -13.953 1.600 -6.265 1.00 0.20 C ATOM 1562 C ASN A 102 -13.939 0.681 -7.483 1.00 0.19 C ATOM 1563 O ASN A 102 -14.874 -0.042 -7.748 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.447 2.986 -6.682 1.00 0.25 C ATOM 1565 CG ASN A 102 -15.881 2.885 -7.204 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.117 2.371 -8.280 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.854 3.364 -6.482 1.00 0.55 N ATOM 0 H ASN A 102 -12.193 2.660 -5.715 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.615 1.191 -5.502 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.406 3.668 -5.833 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.797 3.398 -7.454 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.815 3.308 -6.819 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.655 3.795 -5.579 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.889 0.740 -8.245 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.805 -0.092 -9.470 1.00 0.18 C ATOM 1576 C GLU A 103 -12.706 -1.578 -9.090 1.00 0.16 C ATOM 1577 O GLU A 103 -13.286 -2.430 -9.735 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.545 0.311 -10.239 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.567 -0.313 -11.640 1.00 0.21 C ATOM 1580 CD GLU A 103 -12.603 0.409 -12.507 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -13.205 1.351 -12.018 1.00 2.04 O ATOM 1582 OE2 GLU A 103 -12.778 0.006 -13.646 1.00 2.21 O ATOM 0 H GLU A 103 -12.078 1.334 -8.070 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.695 0.061 -10.081 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.487 1.397 -10.316 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.658 -0.018 -9.699 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -10.580 -0.240 -12.097 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -11.809 -1.374 -11.573 1.00 0.21 H new ATOM 1589 N LEU A 104 -11.954 -1.897 -8.061 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.789 -3.334 -7.650 1.00 0.14 C ATOM 1591 C LEU A 104 -12.692 -3.689 -6.454 1.00 0.13 C ATOM 1592 O LEU A 104 -12.663 -4.804 -5.971 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.329 -3.577 -7.244 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.386 -3.354 -8.437 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -7.938 -3.509 -7.960 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.674 -4.381 -9.546 1.00 0.25 C ATOM 0 H LEU A 104 -11.446 -1.225 -7.486 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.071 -3.959 -8.497 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.057 -2.906 -6.429 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.215 -4.595 -6.870 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.544 -2.353 -8.839 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.260 -3.353 -8.799 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.730 -2.773 -7.183 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.793 -4.512 -7.558 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -8.998 -4.210 -10.384 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.523 -5.388 -9.157 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.705 -4.273 -9.883 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.479 -2.774 -5.959 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.347 -3.108 -4.785 1.00 0.15 C ATOM 1610 C VAL A 105 -15.426 -4.115 -5.204 1.00 0.16 C ATOM 1611 O VAL A 105 -15.658 -5.050 -4.453 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.022 -1.839 -4.244 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.125 -1.373 -5.206 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.631 -2.141 -2.869 1.00 0.19 C ATOM 1615 OXT VAL A 105 -16.000 -3.936 -6.265 1.00 1.08 O ATOM 0 H VAL A 105 -13.562 -1.819 -6.309 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.723 -3.543 -4.004 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.279 -1.047 -4.154 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.596 -0.473 -4.811 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.689 -1.157 -6.182 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.874 -2.158 -5.309 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.112 -1.244 -2.479 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.370 -2.936 -2.965 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.844 -2.458 -2.184 1.00 0.19 H new ATOM 1683 N LYS B 63 6.903 14.931 -6.089 1.00 0.19 N ATOM 1684 CA LYS B 63 5.759 13.995 -5.876 1.00 0.14 C ATOM 1685 C LYS B 63 6.287 12.558 -5.738 1.00 0.12 C ATOM 1686 O LYS B 63 5.570 11.668 -5.316 1.00 0.12 O ATOM 1687 CB LYS B 63 4.822 14.054 -7.087 1.00 0.17 C ATOM 1688 CG LYS B 63 4.271 15.475 -7.281 1.00 0.20 C ATOM 1689 CD LYS B 63 3.408 15.893 -6.084 1.00 0.40 C ATOM 1690 CE LYS B 63 2.467 17.030 -6.502 1.00 0.35 C ATOM 1691 NZ LYS B 63 1.490 16.522 -7.506 1.00 1.31 N ATOM 0 HA LYS B 63 5.225 14.284 -4.971 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.358 13.741 -7.983 1.00 0.17 H new ATOM 0 HB3 LYS B 63 3.997 13.355 -6.949 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.096 16.176 -7.402 1.00 0.20 H new ATOM 0 HG3 LYS B 63 3.679 15.519 -8.195 1.00 0.20 H new ATOM 0 HD2 LYS B 63 2.830 15.042 -5.725 1.00 0.40 H new ATOM 0 HD3 LYS B 63 4.043 16.217 -5.260 1.00 0.40 H new ATOM 0 HE2 LYS B 63 1.940 17.419 -5.631 1.00 0.35 H new ATOM 0 HE3 LYS B 63 3.041 17.856 -6.923 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 0.605 17.063 -7.433 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 1.885 16.632 -8.462 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 1.297 15.516 -7.325 1.00 1.31 H new ATOM 1705 N ILE B 64 7.521 12.325 -6.134 1.00 0.11 N ATOM 1706 CA ILE B 64 8.124 10.943 -6.059 1.00 0.11 C ATOM 1707 C ILE B 64 9.501 11.003 -5.364 1.00 0.10 C ATOM 1708 O ILE B 64 10.285 11.897 -5.615 1.00 0.11 O ATOM 1709 CB ILE B 64 8.330 10.405 -7.490 1.00 0.12 C ATOM 1710 CG1 ILE B 64 6.980 10.103 -8.165 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.185 9.133 -7.469 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.154 9.097 -7.345 1.00 0.15 C ATOM 0 H ILE B 64 8.145 13.039 -6.510 1.00 0.11 H new ATOM 0 HA ILE B 64 7.454 10.295 -5.495 1.00 0.11 H new ATOM 0 HB ILE B 64 8.845 11.176 -8.062 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.416 11.028 -8.283 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.153 9.705 -9.165 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.319 8.768 -8.487 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.158 9.356 -7.032 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.686 8.369 -6.873 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.207 8.906 -7.850 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.709 8.164 -7.249 1.00 0.15 H new ATOM 0 HD13 ILE B 64 5.960 9.507 -6.354 1.00 0.15 H new ATOM 1724 N CYS B 65 9.826 10.038 -4.528 1.00 0.09 N ATOM 1725 CA CYS B 65 11.177 10.031 -3.878 1.00 0.10 C ATOM 1726 C CYS B 65 12.102 9.172 -4.755 1.00 0.10 C ATOM 1727 O CYS B 65 11.769 8.060 -5.116 1.00 0.11 O ATOM 1728 CB CYS B 65 11.115 9.428 -2.462 1.00 0.10 C ATOM 1729 SG CYS B 65 9.876 10.287 -1.453 1.00 0.19 S ATOM 0 H CYS B 65 9.217 9.261 -4.271 1.00 0.09 H new ATOM 0 HA CYS B 65 11.544 11.053 -3.786 1.00 0.10 H new ATOM 0 HB2 CYS B 65 10.870 8.368 -2.523 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.093 9.502 -1.987 1.00 0.10 H new ATOM 1734 N SER B 66 13.242 9.689 -5.130 1.00 0.12 N ATOM 1735 CA SER B 66 14.168 8.914 -6.017 1.00 0.14 C ATOM 1736 C SER B 66 14.982 7.886 -5.210 1.00 0.14 C ATOM 1737 O SER B 66 15.495 8.177 -4.147 1.00 0.15 O ATOM 1738 CB SER B 66 15.122 9.896 -6.700 1.00 0.18 C ATOM 1739 OG SER B 66 14.366 10.791 -7.509 1.00 0.20 O ATOM 0 H SER B 66 13.575 10.615 -4.862 1.00 0.12 H new ATOM 0 HA SER B 66 13.578 8.372 -6.756 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.689 10.451 -5.953 1.00 0.18 H new ATOM 0 HB3 SER B 66 15.845 9.355 -7.311 1.00 0.18 H new ATOM 0 HG SER B 66 14.971 11.425 -7.949 1.00 0.20 H new ATOM 1745 N TRP B 67 15.126 6.690 -5.726 1.00 0.15 N ATOM 1746 CA TRP B 67 15.922 5.644 -5.012 1.00 0.16 C ATOM 1747 C TRP B 67 17.404 5.974 -5.126 1.00 0.19 C ATOM 1748 O TRP B 67 18.240 5.384 -4.471 1.00 0.21 O ATOM 1749 CB TRP B 67 15.643 4.267 -5.620 1.00 0.16 C ATOM 1750 CG TRP B 67 14.253 3.869 -5.266 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.147 4.569 -5.585 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.798 2.705 -4.519 1.00 0.14 C ATOM 1753 NE1 TRP B 67 12.047 3.917 -5.078 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.400 2.766 -4.411 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.458 1.616 -3.929 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.681 1.791 -3.738 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.735 0.625 -3.255 1.00 0.17 C ATOM 1758 CH2 TRP B 67 12.346 0.716 -3.155 1.00 0.16 C ATOM 0 H TRP B 67 14.724 6.392 -6.615 1.00 0.15 H new ATOM 0 HA TRP B 67 15.635 5.626 -3.961 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.764 4.299 -6.703 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.355 3.534 -5.241 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.127 5.491 -6.147 1.00 0.13 H new ATOM 0 HE1 TRP B 67 11.087 4.246 -5.183 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.533 1.542 -3.996 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.606 1.865 -3.666 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 14.253 -0.212 -2.811 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.789 -0.044 -2.627 1.00 0.16 H new ATOM 1769 N ASN B 68 17.731 6.922 -5.952 1.00 0.23 N ATOM 1770 CA ASN B 68 19.155 7.313 -6.119 1.00 0.27 C ATOM 1771 C ASN B 68 19.751 7.653 -4.752 1.00 0.26 C ATOM 1772 O ASN B 68 20.929 7.929 -4.640 1.00 0.30 O ATOM 1773 CB ASN B 68 19.235 8.545 -7.022 1.00 0.34 C ATOM 1774 CG ASN B 68 18.862 8.152 -8.454 1.00 0.40 C ATOM 1775 OD1 ASN B 68 19.043 8.926 -9.374 1.00 0.49 O ATOM 1776 ND2 ASN B 68 18.345 6.975 -8.683 1.00 0.40 N ATOM 0 H ASN B 68 17.069 7.447 -6.523 1.00 0.23 H new ATOM 0 HA ASN B 68 19.711 6.489 -6.567 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.560 9.320 -6.659 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.242 8.962 -6.998 1.00 0.34 H new ATOM 0 HD21 ASN B 68 18.093 6.705 -9.634 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.193 6.326 -7.911 1.00 0.40 H new