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 Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0187 USER MOD Single : A 8 LYS NZ :NH3+ 157:sc= -1.02 (180deg=-1.72) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.2) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 26:sc= 0.219 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0386) USER MOD Single : A 37 MET CE :methyl -156:sc= -0.0991 (180deg=-0.986) USER MOD Single : A 39 LYS NZ :NH3+ -127:sc= -1.32 (180deg=-2.92!) USER MOD Single : A 43 HIS : no HD1:sc= -0.326 X(o=-0.33,f=-0.016) USER MOD Single : A 44 SER OG : rot 68:sc= 0.876 USER MOD Single : A 46 SER OG : rot 93:sc= 0.0475 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.2) USER MOD Single : A 63 GLN : amide:sc= -0.285 X(o=-0.29,f=0) USER MOD Single : A 67 SER OG : rot -32:sc= 0.295 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.579 USER MOD Single : A 76 THR OG1 : rot 124:sc= 0.257! USER MOD Single : A 78 GLN : amide:sc= -1.46 K(o=-1.5,f=-3.1!) USER MOD Single : A 81 LYS NZ :NH3+ -155:sc= 1.13 (180deg=0.554) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.484 F(o=-3.3!,f=-0.48) USER MOD Single : A 85 LYS NZ :NH3+ -109:sc= -1.79 (180deg=-4.52!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -1.25! C(o=-1.2!,f=-11!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.43 K(o=-0.43,f=-2.3!) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN :FLIP amide:sc= -0.0934 F(o=-2.2!,f=-0.093) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.526 -2.248 8.858 1.00 0.20 N ATOM 37 CA LYS A 3 -1.552 -3.314 9.254 1.00 0.18 C ATOM 38 C LYS A 3 -0.178 -2.936 8.703 1.00 0.15 C ATOM 39 O LYS A 3 -0.032 -2.647 7.531 1.00 0.16 O ATOM 40 CB LYS A 3 -1.999 -4.647 8.623 1.00 0.19 C ATOM 41 CG LYS A 3 -1.110 -5.813 9.098 1.00 0.20 C ATOM 42 CD LYS A 3 -1.581 -6.319 10.466 1.00 0.81 C ATOM 43 CE LYS A 3 -0.791 -7.572 10.853 1.00 1.03 C ATOM 44 NZ LYS A 3 -1.257 -8.063 12.183 1.00 1.67 N ATOM 0 HA LYS A 3 -1.509 -3.413 10.339 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -3.038 -4.847 8.886 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.955 -4.571 7.537 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -1.144 -6.625 8.371 1.00 0.20 H new ATOM 0 HG3 LYS A 3 -0.072 -5.485 9.162 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -1.442 -5.543 11.219 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.647 -6.545 10.434 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.927 -8.348 10.099 1.00 1.03 H new ATOM 0 HE3 LYS A 3 0.275 -7.346 10.890 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 -0.721 -8.914 12.446 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 -1.106 -7.323 12.898 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -2.270 -8.294 12.132 1.00 1.67 H new ATOM 58 N GLN A 4 0.838 -2.946 9.530 1.00 0.15 N ATOM 59 CA GLN A 4 2.207 -2.595 9.041 1.00 0.14 C ATOM 60 C GLN A 4 2.962 -3.891 8.756 1.00 0.12 C ATOM 61 O GLN A 4 3.110 -4.730 9.623 1.00 0.13 O ATOM 62 CB GLN A 4 2.945 -1.804 10.130 1.00 0.16 C ATOM 63 CG GLN A 4 4.331 -1.388 9.623 1.00 0.17 C ATOM 64 CD GLN A 4 5.038 -0.538 10.687 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.814 -0.714 11.869 1.00 0.29 O ATOM 66 NE2 GLN A 4 5.888 0.383 10.314 1.00 0.31 N ATOM 0 H GLN A 4 0.779 -3.182 10.521 1.00 0.15 H new ATOM 0 HA GLN A 4 2.143 -1.990 8.136 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.368 -0.921 10.404 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.044 -2.412 11.029 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.926 -2.272 9.396 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.235 -0.822 8.696 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.077 0.531 9.323 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.362 0.953 11.014 1.00 0.31 H new ATOM 75 N ILE A 5 3.452 -4.063 7.558 1.00 0.10 N ATOM 76 CA ILE A 5 4.210 -5.307 7.225 1.00 0.10 C ATOM 77 C ILE A 5 5.700 -4.987 7.250 1.00 0.10 C ATOM 78 O ILE A 5 6.198 -4.230 6.439 1.00 0.11 O ATOM 79 CB ILE A 5 3.807 -5.783 5.833 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.278 -5.873 5.738 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.419 -7.151 5.569 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.722 -6.737 6.881 1.00 0.19 C ATOM 0 H ILE A 5 3.361 -3.395 6.793 1.00 0.10 H new ATOM 0 HA ILE A 5 3.989 -6.092 7.948 1.00 0.10 H new ATOM 0 HB ILE A 5 4.170 -5.074 5.089 1.00 0.11 H new ATOM 0 HG12 ILE A 5 1.845 -4.874 5.784 1.00 0.13 H new ATOM 0 HG13 ILE A 5 1.991 -6.301 4.777 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.132 -7.492 4.574 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.505 -7.081 5.629 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.059 -7.861 6.314 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.636 -6.792 6.801 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.142 -7.741 6.816 1.00 0.19 H new ATOM 0 HD13 ILE A 5 1.993 -6.292 7.838 1.00 0.19 H new ATOM 94 N GLU A 6 6.418 -5.543 8.191 1.00 0.11 N ATOM 95 CA GLU A 6 7.873 -5.259 8.288 1.00 0.13 C ATOM 96 C GLU A 6 8.656 -6.364 7.571 1.00 0.12 C ATOM 97 O GLU A 6 9.869 -6.319 7.495 1.00 0.13 O ATOM 98 CB GLU A 6 8.273 -5.235 9.768 1.00 0.15 C ATOM 99 CG GLU A 6 7.441 -4.183 10.512 1.00 0.17 C ATOM 100 CD GLU A 6 6.050 -4.748 10.831 1.00 1.45 C ATOM 101 OE1 GLU A 6 5.830 -5.919 10.578 1.00 2.25 O ATOM 102 OE2 GLU A 6 5.229 -3.997 11.334 1.00 2.25 O ATOM 0 H GLU A 6 6.054 -6.183 8.897 1.00 0.11 H new ATOM 0 HA GLU A 6 8.096 -4.298 7.825 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.116 -6.218 10.213 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.335 -5.007 9.864 1.00 0.15 H new ATOM 0 HG2 GLU A 6 7.945 -3.893 11.434 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.347 -3.284 9.903 1.00 0.17 H new ATOM 109 N SER A 7 7.980 -7.356 7.030 1.00 0.12 N ATOM 110 CA SER A 7 8.724 -8.446 6.313 1.00 0.13 C ATOM 111 C SER A 7 7.847 -9.117 5.249 1.00 0.12 C ATOM 112 O SER A 7 6.635 -9.158 5.354 1.00 0.12 O ATOM 113 CB SER A 7 9.172 -9.515 7.321 1.00 0.15 C ATOM 114 OG SER A 7 8.039 -10.078 7.972 1.00 0.15 O ATOM 0 H SER A 7 6.965 -7.457 7.053 1.00 0.12 H new ATOM 0 HA SER A 7 9.586 -7.993 5.824 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.733 -10.297 6.809 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.842 -9.073 8.058 1.00 0.15 H new ATOM 0 HG SER A 7 8.334 -10.760 8.611 1.00 0.15 H new ATOM 120 N LYS A 8 8.470 -9.689 4.246 1.00 0.14 N ATOM 121 CA LYS A 8 7.706 -10.408 3.185 1.00 0.15 C ATOM 122 C LYS A 8 6.997 -11.590 3.835 1.00 0.15 C ATOM 123 O LYS A 8 5.935 -12.005 3.418 1.00 0.16 O ATOM 124 CB LYS A 8 8.659 -10.917 2.095 1.00 0.18 C ATOM 125 CG LYS A 8 7.842 -11.459 0.917 1.00 0.21 C ATOM 126 CD LYS A 8 8.769 -12.047 -0.162 1.00 0.43 C ATOM 127 CE LYS A 8 9.609 -13.198 0.407 1.00 0.80 C ATOM 128 NZ LYS A 8 8.794 -13.974 1.383 1.00 1.65 N ATOM 0 H LYS A 8 9.482 -9.687 4.119 1.00 0.14 H new ATOM 0 HA LYS A 8 6.985 -9.733 2.724 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.310 -10.110 1.760 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.303 -11.700 2.496 1.00 0.18 H new ATOM 0 HG2 LYS A 8 7.152 -12.226 1.269 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.238 -10.659 0.488 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.174 -12.406 -1.002 1.00 0.43 H new ATOM 0 HD3 LYS A 8 9.426 -11.267 -0.547 1.00 0.43 H new ATOM 0 HE2 LYS A 8 9.947 -13.849 -0.399 1.00 0.80 H new ATOM 0 HE3 LYS A 8 10.501 -12.805 0.894 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 9.182 -14.935 1.473 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 8.819 -13.502 2.309 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 7.811 -14.028 1.049 1.00 1.65 H new ATOM 142 N THR A 9 7.590 -12.139 4.859 1.00 0.15 N ATOM 143 CA THR A 9 6.962 -13.302 5.544 1.00 0.17 C ATOM 144 C THR A 9 5.584 -12.890 6.057 1.00 0.16 C ATOM 145 O THR A 9 4.602 -13.580 5.858 1.00 0.17 O ATOM 146 CB THR A 9 7.850 -13.731 6.717 1.00 0.19 C ATOM 147 OG1 THR A 9 9.150 -14.030 6.234 1.00 0.22 O ATOM 148 CG2 THR A 9 7.261 -14.967 7.401 1.00 0.23 C ATOM 0 H THR A 9 8.481 -11.833 5.250 1.00 0.15 H new ATOM 0 HA THR A 9 6.855 -14.136 4.850 1.00 0.17 H new ATOM 0 HB THR A 9 7.903 -12.919 7.442 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.722 -14.303 6.981 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.901 -15.262 8.233 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.264 -14.735 7.775 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.199 -15.785 6.683 1.00 0.23 H new ATOM 156 N ALA A 10 5.497 -11.762 6.688 1.00 0.15 N ATOM 157 CA ALA A 10 4.179 -11.288 7.180 1.00 0.15 C ATOM 158 C ALA A 10 3.329 -10.877 5.982 1.00 0.14 C ATOM 159 O ALA A 10 2.118 -10.971 6.001 1.00 0.15 O ATOM 160 CB ALA A 10 4.391 -10.098 8.118 1.00 0.17 C ATOM 0 H ALA A 10 6.283 -11.143 6.886 1.00 0.15 H new ATOM 0 HA ALA A 10 3.669 -12.080 7.728 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.426 -9.746 8.482 1.00 0.17 H new ATOM 0 HB2 ALA A 10 5.008 -10.406 8.963 1.00 0.17 H new ATOM 0 HB3 ALA A 10 4.891 -9.294 7.578 1.00 0.17 H new ATOM 166 N PHE A 11 3.954 -10.422 4.930 1.00 0.14 N ATOM 167 CA PHE A 11 3.176 -9.999 3.735 1.00 0.13 C ATOM 168 C PHE A 11 2.364 -11.179 3.219 1.00 0.14 C ATOM 169 O PHE A 11 1.203 -11.050 2.884 1.00 0.14 O ATOM 170 CB PHE A 11 4.153 -9.552 2.641 1.00 0.14 C ATOM 171 CG PHE A 11 3.398 -8.896 1.506 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.735 -7.685 1.723 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.382 -9.488 0.237 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.052 -7.067 0.671 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.700 -8.868 -0.814 1.00 0.14 C ATOM 176 CZ PHE A 11 2.034 -7.659 -0.597 1.00 0.14 C ATOM 0 H PHE A 11 4.966 -10.326 4.848 1.00 0.14 H new ATOM 0 HA PHE A 11 2.507 -9.180 4.000 1.00 0.13 H new ATOM 0 HB2 PHE A 11 4.881 -8.854 3.055 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.711 -10.411 2.268 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.750 -7.227 2.701 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.896 -10.423 0.070 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.538 -6.132 0.837 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.688 -9.323 -1.793 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.505 -7.181 -1.408 1.00 0.14 H new ATOM 186 N GLN A 12 2.964 -12.327 3.157 1.00 0.14 N ATOM 187 CA GLN A 12 2.224 -13.517 2.663 1.00 0.16 C ATOM 188 C GLN A 12 1.071 -13.816 3.626 1.00 0.15 C ATOM 189 O GLN A 12 -0.031 -14.124 3.219 1.00 0.16 O ATOM 190 CB GLN A 12 3.182 -14.714 2.643 1.00 0.18 C ATOM 191 CG GLN A 12 4.323 -14.449 1.655 1.00 0.17 C ATOM 192 CD GLN A 12 3.758 -14.297 0.240 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.793 -13.223 -0.327 1.00 1.12 O ATOM 194 NE2 GLN A 12 3.239 -15.335 -0.353 1.00 1.31 N ATOM 0 H GLN A 12 3.933 -12.496 3.426 1.00 0.14 H new ATOM 0 HA GLN A 12 1.833 -13.332 1.662 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.585 -14.885 3.641 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.644 -15.618 2.357 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.861 -13.545 1.941 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.040 -15.270 1.684 1.00 0.17 H new ATOM 0 HE21 GLN A 12 3.211 -16.235 0.126 1.00 1.31 H new ATOM 0 HE22 GLN A 12 2.861 -15.247 -1.296 1.00 1.31 H new ATOM 203 N GLU A 13 1.328 -13.720 4.902 1.00 0.16 N ATOM 204 CA GLU A 13 0.270 -13.990 5.922 1.00 0.17 C ATOM 205 C GLU A 13 -0.850 -12.953 5.819 1.00 0.15 C ATOM 206 O GLU A 13 -2.017 -13.267 5.955 1.00 0.16 O ATOM 207 CB GLU A 13 0.907 -13.932 7.317 1.00 0.19 C ATOM 208 CG GLU A 13 1.675 -15.229 7.581 1.00 0.28 C ATOM 209 CD GLU A 13 2.253 -15.192 8.994 1.00 0.95 C ATOM 210 OE1 GLU A 13 2.040 -14.198 9.672 1.00 1.77 O ATOM 211 OE2 GLU A 13 2.895 -16.156 9.378 1.00 1.67 O ATOM 0 H GLU A 13 2.237 -13.463 5.287 1.00 0.16 H new ATOM 0 HA GLU A 13 -0.160 -14.976 5.747 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.580 -13.078 7.386 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.136 -13.792 8.075 1.00 0.19 H new ATOM 0 HG2 GLU A 13 1.012 -16.087 7.469 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.476 -15.347 6.851 1.00 0.28 H new ATOM 218 N ALA A 14 -0.503 -11.717 5.594 1.00 0.15 N ATOM 219 CA ALA A 14 -1.545 -10.660 5.494 1.00 0.14 C ATOM 220 C ALA A 14 -2.410 -10.931 4.267 1.00 0.13 C ATOM 221 O ALA A 14 -3.618 -10.796 4.305 1.00 0.13 O ATOM 222 CB ALA A 14 -0.864 -9.293 5.360 1.00 0.15 C ATOM 0 H ALA A 14 0.457 -11.394 5.475 1.00 0.15 H new ATOM 0 HA ALA A 14 -2.170 -10.664 6.387 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.623 -8.514 5.286 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.240 -9.110 6.235 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.244 -9.282 4.463 1.00 0.15 H new ATOM 228 N LEU A 15 -1.810 -11.321 3.178 1.00 0.12 N ATOM 229 CA LEU A 15 -2.612 -11.608 1.963 1.00 0.12 C ATOM 230 C LEU A 15 -3.576 -12.742 2.271 1.00 0.13 C ATOM 231 O LEU A 15 -4.722 -12.733 1.868 1.00 0.13 O ATOM 232 CB LEU A 15 -1.676 -12.030 0.831 1.00 0.13 C ATOM 233 CG LEU A 15 -0.852 -10.819 0.366 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.388 -11.300 -0.398 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.692 -9.911 -0.547 1.00 0.17 C ATOM 0 H LEU A 15 -0.803 -11.452 3.079 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.168 -10.720 1.662 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -1.013 -12.825 1.171 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.254 -12.431 -0.002 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.547 -10.250 1.244 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.970 -10.439 -0.726 1.00 0.17 H new ATOM 0 HD12 LEU A 15 0.999 -11.923 0.255 1.00 0.17 H new ATOM 0 HD13 LEU A 15 0.078 -11.881 -1.267 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.091 -9.059 -0.866 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.016 -10.474 -1.422 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.566 -9.555 -0.001 1.00 0.17 H new ATOM 247 N ASP A 16 -3.112 -13.718 2.997 1.00 0.13 N ATOM 248 CA ASP A 16 -3.988 -14.862 3.347 1.00 0.15 C ATOM 249 C ASP A 16 -5.055 -14.408 4.346 1.00 0.15 C ATOM 250 O ASP A 16 -6.173 -14.888 4.334 1.00 0.16 O ATOM 251 CB ASP A 16 -3.147 -15.985 3.972 1.00 0.17 C ATOM 252 CG ASP A 16 -3.980 -17.270 4.029 1.00 0.19 C ATOM 253 OD1 ASP A 16 -5.192 -17.173 3.923 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.390 -18.328 4.179 1.00 1.07 O ATOM 0 H ASP A 16 -2.161 -13.771 3.363 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.472 -15.232 2.443 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.244 -16.149 3.384 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.827 -15.701 4.974 1.00 0.17 H new ATOM 259 N ALA A 17 -4.714 -13.499 5.222 1.00 0.15 N ATOM 260 CA ALA A 17 -5.699 -13.033 6.244 1.00 0.16 C ATOM 261 C ALA A 17 -6.822 -12.238 5.575 1.00 0.15 C ATOM 262 O ALA A 17 -7.978 -12.381 5.916 1.00 0.17 O ATOM 263 CB ALA A 17 -4.991 -12.145 7.270 1.00 0.18 C ATOM 0 H ALA A 17 -3.795 -13.059 5.274 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.127 -13.903 6.742 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.710 -11.805 8.015 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.202 -12.714 7.761 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.556 -11.282 6.766 1.00 0.18 H new ATOM 269 N ALA A 18 -6.499 -11.406 4.626 1.00 0.14 N ATOM 270 CA ALA A 18 -7.559 -10.609 3.946 1.00 0.15 C ATOM 271 C ALA A 18 -8.535 -11.554 3.247 1.00 0.14 C ATOM 272 O ALA A 18 -9.702 -11.256 3.097 1.00 0.17 O ATOM 273 CB ALA A 18 -6.924 -9.691 2.907 1.00 0.15 C ATOM 0 H ALA A 18 -5.549 -11.243 4.292 1.00 0.14 H new ATOM 0 HA ALA A 18 -8.089 -10.011 4.687 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.702 -9.110 2.411 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -6.223 -9.016 3.398 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.393 -10.291 2.168 1.00 0.15 H new ATOM 279 N GLY A 19 -8.069 -12.689 2.811 1.00 0.16 N ATOM 280 CA GLY A 19 -8.974 -13.644 2.116 1.00 0.20 C ATOM 281 C GLY A 19 -9.398 -13.047 0.775 1.00 0.16 C ATOM 282 O GLY A 19 -8.574 -12.694 -0.047 1.00 0.17 O ATOM 0 H GLY A 19 -7.101 -12.997 2.906 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.467 -14.596 1.960 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.851 -13.847 2.731 1.00 0.20 H new ATOM 286 N ASP A 20 -10.677 -12.940 0.543 1.00 0.15 N ATOM 287 CA ASP A 20 -11.168 -12.378 -0.750 1.00 0.14 C ATOM 288 C ASP A 20 -11.383 -10.866 -0.626 1.00 0.12 C ATOM 289 O ASP A 20 -11.799 -10.214 -1.561 1.00 0.13 O ATOM 290 CB ASP A 20 -12.495 -13.046 -1.098 1.00 0.15 C ATOM 291 CG ASP A 20 -12.278 -14.554 -1.230 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.155 -14.948 -1.503 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.237 -15.287 -1.049 1.00 1.07 O ATOM 0 H ASP A 20 -11.409 -13.219 1.197 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.429 -12.565 -1.530 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.234 -12.839 -0.324 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -12.887 -12.640 -2.030 1.00 0.15 H new ATOM 298 N LYS A 21 -11.116 -10.303 0.519 1.00 0.12 N ATOM 299 CA LYS A 21 -11.324 -8.837 0.699 1.00 0.12 C ATOM 300 C LYS A 21 -10.195 -8.075 0.000 1.00 0.10 C ATOM 301 O LYS A 21 -9.086 -8.556 -0.101 1.00 0.11 O ATOM 302 CB LYS A 21 -11.296 -8.513 2.190 1.00 0.15 C ATOM 303 CG LYS A 21 -12.425 -9.268 2.902 1.00 0.21 C ATOM 304 CD LYS A 21 -12.607 -8.724 4.332 1.00 0.31 C ATOM 305 CE LYS A 21 -13.532 -7.503 4.333 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.661 -6.993 5.728 1.00 1.50 N ATOM 0 H LYS A 21 -10.762 -10.794 1.340 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.283 -8.545 0.271 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.332 -8.794 2.615 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.411 -7.440 2.341 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.354 -9.160 2.343 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.195 -10.333 2.936 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -13.023 -9.502 4.972 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -11.637 -8.452 4.749 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -13.130 -6.725 3.684 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -14.512 -7.773 3.939 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -14.288 -6.163 5.738 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -14.062 -7.737 6.334 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -12.723 -6.722 6.087 1.00 1.50 H new ATOM 320 N LEU A 22 -10.461 -6.888 -0.480 1.00 0.11 N ATOM 321 CA LEU A 22 -9.389 -6.114 -1.171 1.00 0.12 C ATOM 322 C LEU A 22 -8.177 -5.955 -0.253 1.00 0.12 C ATOM 323 O LEU A 22 -8.261 -6.089 0.954 1.00 0.14 O ATOM 324 CB LEU A 22 -9.911 -4.713 -1.556 1.00 0.15 C ATOM 325 CG LEU A 22 -10.486 -4.707 -2.969 1.00 0.29 C ATOM 326 CD1 LEU A 22 -11.092 -3.323 -3.219 1.00 0.31 C ATOM 327 CD2 LEU A 22 -9.362 -4.994 -4.006 1.00 0.47 C ATOM 0 H LEU A 22 -11.368 -6.424 -0.424 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.098 -6.658 -2.070 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -10.678 -4.400 -0.847 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.100 -3.988 -1.488 1.00 0.15 H new ATOM 0 HG LEU A 22 -11.247 -5.481 -3.073 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -11.513 -3.286 -4.224 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.879 -3.133 -2.489 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -10.316 -2.563 -3.122 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -9.784 -4.987 -5.011 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -8.592 -4.226 -3.930 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -8.921 -5.970 -3.804 1.00 0.47 H new ATOM 339 N VAL A 23 -7.050 -5.658 -0.842 1.00 0.11 N ATOM 340 CA VAL A 23 -5.810 -5.458 -0.056 1.00 0.11 C ATOM 341 C VAL A 23 -4.952 -4.433 -0.784 1.00 0.11 C ATOM 342 O VAL A 23 -4.385 -4.712 -1.821 1.00 0.17 O ATOM 343 CB VAL A 23 -5.048 -6.776 0.042 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.726 -6.560 0.790 1.00 0.16 C ATOM 345 CG2 VAL A 23 -5.902 -7.793 0.792 1.00 0.12 C ATOM 0 H VAL A 23 -6.940 -5.545 -1.850 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.051 -5.112 0.949 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.831 -7.146 -0.960 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.187 -7.505 0.856 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.118 -5.833 0.252 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -3.932 -6.189 1.794 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.363 -8.737 0.865 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.117 -7.419 1.793 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.837 -7.950 0.254 1.00 0.12 H new ATOM 355 N VAL A 24 -4.846 -3.248 -0.249 1.00 0.09 N ATOM 356 CA VAL A 24 -4.013 -2.200 -0.905 1.00 0.09 C ATOM 357 C VAL A 24 -2.679 -2.136 -0.160 1.00 0.09 C ATOM 358 O VAL A 24 -2.641 -2.272 1.045 1.00 0.10 O ATOM 359 CB VAL A 24 -4.731 -0.849 -0.825 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.912 0.209 -1.565 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.100 -0.960 -1.492 1.00 0.14 C ATOM 0 H VAL A 24 -5.302 -2.959 0.617 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.847 -2.437 -1.956 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.847 -0.567 0.221 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.423 1.170 -1.508 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.927 0.294 -1.106 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.801 -0.082 -2.610 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.611 0.001 -1.435 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -5.974 -1.243 -2.537 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.694 -1.718 -0.980 1.00 0.14 H new ATOM 371 N VAL A 25 -1.581 -1.964 -0.860 1.00 0.09 N ATOM 372 CA VAL A 25 -0.243 -1.927 -0.177 1.00 0.09 C ATOM 373 C VAL A 25 0.485 -0.626 -0.534 1.00 0.10 C ATOM 374 O VAL A 25 0.692 -0.320 -1.691 1.00 0.11 O ATOM 375 CB VAL A 25 0.595 -3.127 -0.648 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.882 -3.224 0.174 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.212 -4.420 -0.481 1.00 0.10 C ATOM 0 H VAL A 25 -1.552 -1.848 -1.873 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.384 -1.974 0.903 1.00 0.09 H new ATOM 0 HB VAL A 25 0.849 -2.988 -1.699 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.468 -4.077 -0.167 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.463 -2.311 0.049 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.632 -3.354 1.227 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.386 -5.268 -0.816 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.474 -4.553 0.569 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.123 -4.360 -1.077 1.00 0.10 H new ATOM 387 N ASP A 26 0.885 0.136 0.458 1.00 0.11 N ATOM 388 CA ASP A 26 1.616 1.424 0.189 1.00 0.12 C ATOM 389 C ASP A 26 3.126 1.227 0.403 1.00 0.14 C ATOM 390 O ASP A 26 3.574 0.951 1.495 1.00 0.20 O ATOM 391 CB ASP A 26 1.117 2.509 1.154 1.00 0.14 C ATOM 392 CG ASP A 26 1.794 3.840 0.811 1.00 0.16 C ATOM 393 OD1 ASP A 26 2.584 3.856 -0.122 1.00 1.05 O ATOM 394 OD2 ASP A 26 1.514 4.817 1.486 1.00 1.04 O ATOM 0 H ASP A 26 0.738 -0.076 1.445 1.00 0.11 H new ATOM 0 HA ASP A 26 1.429 1.726 -0.842 1.00 0.12 H new ATOM 0 HB2 ASP A 26 0.034 2.608 1.079 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.341 2.228 2.183 1.00 0.14 H new ATOM 399 N PHE A 27 3.916 1.384 -0.629 1.00 0.13 N ATOM 400 CA PHE A 27 5.403 1.225 -0.491 1.00 0.13 C ATOM 401 C PHE A 27 6.056 2.579 -0.184 1.00 0.22 C ATOM 402 O PHE A 27 7.222 2.783 -0.446 1.00 0.73 O ATOM 403 CB PHE A 27 6.002 0.660 -1.789 1.00 0.11 C ATOM 404 CG PHE A 27 5.711 -0.818 -1.900 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.520 -1.738 -1.218 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.651 -1.274 -2.692 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.268 -3.111 -1.328 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.400 -2.647 -2.799 1.00 0.14 C ATOM 409 CZ PHE A 27 5.207 -3.564 -2.118 1.00 0.14 C ATOM 0 H PHE A 27 3.596 1.617 -1.569 1.00 0.13 H new ATOM 0 HA PHE A 27 5.598 0.534 0.329 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.586 1.185 -2.649 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.079 0.828 -1.804 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.339 -1.387 -0.607 1.00 0.11 H new ATOM 0 HD2 PHE A 27 4.028 -0.568 -3.220 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.892 -3.819 -0.803 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.581 -2.999 -3.409 1.00 0.14 H new ATOM 0 HZ PHE A 27 5.011 -4.623 -2.202 1.00 0.14 H new ATOM 419 N SER A 28 5.321 3.514 0.344 1.00 0.30 N ATOM 420 CA SER A 28 5.927 4.847 0.629 1.00 0.24 C ATOM 421 C SER A 28 7.170 4.698 1.496 1.00 0.24 C ATOM 422 O SER A 28 7.237 3.865 2.376 1.00 0.28 O ATOM 423 CB SER A 28 4.921 5.727 1.371 1.00 0.27 C ATOM 424 OG SER A 28 3.779 5.935 0.549 1.00 0.29 O ATOM 0 H SER A 28 4.336 3.418 0.590 1.00 0.30 H new ATOM 0 HA SER A 28 6.200 5.305 -0.322 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.627 5.253 2.307 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.377 6.683 1.628 1.00 0.27 H new ATOM 0 HG SER A 28 3.693 5.193 -0.086 1.00 0.29 H new ATOM 430 N ALA A 29 8.151 5.528 1.261 1.00 0.20 N ATOM 431 CA ALA A 29 9.389 5.469 2.076 1.00 0.21 C ATOM 432 C ALA A 29 9.106 6.215 3.375 1.00 0.22 C ATOM 433 O ALA A 29 8.640 7.338 3.363 1.00 0.22 O ATOM 434 CB ALA A 29 10.541 6.153 1.307 1.00 0.19 C ATOM 0 H ALA A 29 8.144 6.245 0.536 1.00 0.20 H new ATOM 0 HA ALA A 29 9.680 4.439 2.283 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.452 6.111 1.904 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.703 5.637 0.360 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.282 7.194 1.113 1.00 0.19 H new ATOM 440 N THR A 30 9.363 5.608 4.494 1.00 0.23 N ATOM 441 CA THR A 30 9.082 6.310 5.769 1.00 0.24 C ATOM 442 C THR A 30 10.050 7.481 5.901 1.00 0.22 C ATOM 443 O THR A 30 9.726 8.507 6.467 1.00 0.22 O ATOM 444 CB THR A 30 9.258 5.339 6.944 1.00 0.28 C ATOM 445 OG1 THR A 30 9.009 6.024 8.164 1.00 0.30 O ATOM 446 CG2 THR A 30 10.681 4.773 6.956 1.00 0.29 C ATOM 0 H THR A 30 9.750 4.668 4.581 1.00 0.23 H new ATOM 0 HA THR A 30 8.057 6.680 5.778 1.00 0.24 H new ATOM 0 HB THR A 30 8.552 4.516 6.833 1.00 0.28 H new ATOM 0 HG1 THR A 30 9.120 5.405 8.915 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.792 4.086 7.795 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.869 4.241 6.023 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.396 5.589 7.059 1.00 0.29 H new ATOM 454 N TRP A 31 11.231 7.345 5.368 1.00 0.22 N ATOM 455 CA TRP A 31 12.223 8.454 5.467 1.00 0.21 C ATOM 456 C TRP A 31 11.900 9.585 4.484 1.00 0.19 C ATOM 457 O TRP A 31 12.438 10.670 4.588 1.00 0.22 O ATOM 458 CB TRP A 31 13.598 7.911 5.123 1.00 0.23 C ATOM 459 CG TRP A 31 13.587 7.359 3.731 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.345 6.070 3.412 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.800 8.056 2.472 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.464 5.916 2.041 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.730 7.117 1.417 1.00 0.21 C ATOM 464 CE3 TRP A 31 14.063 9.397 2.150 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.916 7.496 0.090 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.244 9.782 0.815 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.173 8.834 -0.213 1.00 0.21 C ATOM 0 H TRP A 31 11.553 6.516 4.869 1.00 0.22 H new ATOM 0 HA TRP A 31 12.190 8.849 6.482 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.343 8.702 5.205 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.880 7.132 5.832 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.099 5.286 4.113 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.367 5.025 1.553 1.00 0.25 H new ATOM 0 HE3 TRP A 31 14.126 10.136 2.935 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.862 6.760 -0.699 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.440 10.817 0.577 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.317 9.138 -1.239 1.00 0.21 H new ATOM 478 N CYS A 32 11.033 9.361 3.538 1.00 0.18 N ATOM 479 CA CYS A 32 10.703 10.450 2.569 1.00 0.17 C ATOM 480 C CYS A 32 9.560 11.289 3.148 1.00 0.17 C ATOM 481 O CYS A 32 8.455 10.819 3.332 1.00 0.20 O ATOM 482 CB CYS A 32 10.296 9.825 1.220 1.00 0.18 C ATOM 483 SG CYS A 32 10.254 11.101 -0.077 1.00 0.26 S ATOM 0 H CYS A 32 10.540 8.480 3.391 1.00 0.18 H new ATOM 0 HA CYS A 32 11.568 11.092 2.403 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.002 9.041 0.946 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.317 9.355 1.310 1.00 0.18 H new ATOM 488 N GLY A 33 9.834 12.529 3.457 1.00 0.20 N ATOM 489 CA GLY A 33 8.784 13.411 4.040 1.00 0.23 C ATOM 490 C GLY A 33 7.614 13.574 3.066 1.00 0.21 C ATOM 491 O GLY A 33 6.474 13.366 3.432 1.00 0.22 O ATOM 0 H GLY A 33 10.745 12.970 3.329 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.426 12.988 4.979 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.209 14.387 4.272 1.00 0.23 H new ATOM 495 N PRO A 34 7.873 13.945 1.833 1.00 0.21 N ATOM 496 CA PRO A 34 6.769 14.118 0.848 1.00 0.22 C ATOM 497 C PRO A 34 5.834 12.897 0.803 1.00 0.22 C ATOM 498 O PRO A 34 4.632 13.030 0.678 1.00 0.24 O ATOM 499 CB PRO A 34 7.549 14.278 -0.467 1.00 0.29 C ATOM 500 CG PRO A 34 8.984 14.696 -0.108 1.00 0.31 C ATOM 501 CD PRO A 34 9.251 14.241 1.337 1.00 0.24 C ATOM 0 HA PRO A 34 6.106 14.952 1.079 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.551 13.343 -1.027 1.00 0.29 H new ATOM 0 HB3 PRO A 34 7.079 15.029 -1.102 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.699 14.239 -0.792 1.00 0.31 H new ATOM 0 HG3 PRO A 34 9.103 15.776 -0.198 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.895 13.362 1.375 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.738 15.019 1.926 1.00 0.24 H new ATOM 509 N ALA A 35 6.375 11.712 0.918 1.00 0.21 N ATOM 510 CA ALA A 35 5.519 10.490 0.889 1.00 0.23 C ATOM 511 C ALA A 35 4.853 10.295 2.254 1.00 0.23 C ATOM 512 O ALA A 35 3.676 10.015 2.346 1.00 0.22 O ATOM 513 CB ALA A 35 6.384 9.271 0.551 1.00 0.24 C ATOM 0 H ALA A 35 7.374 11.538 1.031 1.00 0.21 H new ATOM 0 HA ALA A 35 4.745 10.604 0.130 1.00 0.23 H new ATOM 0 HB1 ALA A 35 5.761 8.377 0.529 1.00 0.24 H new ATOM 0 HB2 ALA A 35 6.848 9.413 -0.425 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.160 9.154 1.308 1.00 0.24 H new ATOM 519 N LYS A 36 5.586 10.464 3.315 1.00 0.25 N ATOM 520 CA LYS A 36 4.977 10.301 4.665 1.00 0.27 C ATOM 521 C LYS A 36 3.837 11.312 4.818 1.00 0.26 C ATOM 522 O LYS A 36 2.850 11.056 5.478 1.00 0.27 O ATOM 523 CB LYS A 36 6.035 10.543 5.739 1.00 0.33 C ATOM 524 CG LYS A 36 5.456 10.195 7.114 1.00 0.37 C ATOM 525 CD LYS A 36 6.474 10.555 8.203 1.00 0.44 C ATOM 526 CE LYS A 36 5.977 10.071 9.571 1.00 0.89 C ATOM 527 NZ LYS A 36 4.812 10.895 10.012 1.00 1.59 N ATOM 0 H LYS A 36 6.577 10.707 3.309 1.00 0.25 H new ATOM 0 HA LYS A 36 4.588 9.289 4.777 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.917 9.934 5.539 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.356 11.585 5.721 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.525 10.739 7.277 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.217 9.133 7.162 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.438 10.099 7.976 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.629 11.634 8.225 1.00 0.44 H new ATOM 0 HE2 LYS A 36 5.689 9.021 9.512 1.00 0.89 H new ATOM 0 HE3 LYS A 36 6.780 10.140 10.304 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 4.556 10.641 10.988 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 5.065 11.903 9.972 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 4.003 10.716 9.384 1.00 1.59 H new ATOM 541 N MET A 37 3.963 12.457 4.199 1.00 0.28 N ATOM 542 CA MET A 37 2.892 13.495 4.303 1.00 0.30 C ATOM 543 C MET A 37 1.577 12.941 3.751 1.00 0.25 C ATOM 544 O MET A 37 0.515 13.353 4.161 1.00 0.25 O ATOM 545 CB MET A 37 3.299 14.736 3.501 1.00 0.38 C ATOM 546 CG MET A 37 2.314 15.872 3.791 1.00 0.44 C ATOM 547 SD MET A 37 2.699 17.294 2.735 1.00 1.54 S ATOM 548 CE MET A 37 4.301 17.715 3.466 1.00 2.10 C ATOM 0 H MET A 37 4.764 12.720 3.624 1.00 0.28 H new ATOM 0 HA MET A 37 2.758 13.766 5.350 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.311 15.040 3.768 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.305 14.508 2.435 1.00 0.38 H new ATOM 0 HG2 MET A 37 1.293 15.537 3.609 1.00 0.44 H new ATOM 0 HG3 MET A 37 2.373 16.159 4.841 1.00 0.44 H new ATOM 0 HE1 MET A 37 4.520 18.767 3.281 1.00 2.10 H new ATOM 0 HE2 MET A 37 4.269 17.534 4.540 1.00 2.10 H new ATOM 0 HE3 MET A 37 5.079 17.098 3.017 1.00 2.10 H new ATOM 558 N ILE A 38 1.651 12.037 2.812 1.00 0.23 N ATOM 559 CA ILE A 38 0.419 11.446 2.197 1.00 0.25 C ATOM 560 C ILE A 38 -0.173 10.347 3.096 1.00 0.26 C ATOM 561 O ILE A 38 -1.195 9.777 2.777 1.00 0.31 O ATOM 562 CB ILE A 38 0.762 10.829 0.824 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.653 11.788 0.020 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.529 10.572 0.029 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.183 11.076 -1.227 1.00 0.49 C ATOM 0 H ILE A 38 2.527 11.674 2.436 1.00 0.23 H new ATOM 0 HA ILE A 38 -0.313 12.245 2.080 1.00 0.25 H new ATOM 0 HB ILE A 38 1.290 9.890 0.990 1.00 0.33 H new ATOM 0 HG12 ILE A 38 1.085 12.672 -0.268 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.484 12.130 0.636 1.00 0.34 H new ATOM 0 HG21 ILE A 38 -0.280 10.137 -0.939 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -1.167 9.883 0.583 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -1.057 11.514 -0.122 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.815 11.759 -1.795 1.00 0.49 H new ATOM 0 HD12 ILE A 38 2.767 10.205 -0.928 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.345 10.756 -1.847 1.00 0.49 H new ATOM 577 N LYS A 39 0.454 9.995 4.187 1.00 0.27 N ATOM 578 CA LYS A 39 -0.128 8.891 5.001 1.00 0.34 C ATOM 579 C LYS A 39 -1.540 9.201 5.551 1.00 0.30 C ATOM 580 O LYS A 39 -2.304 8.284 5.747 1.00 0.33 O ATOM 581 CB LYS A 39 0.815 8.449 6.143 1.00 0.46 C ATOM 582 CG LYS A 39 0.757 9.387 7.372 1.00 0.50 C ATOM 583 CD LYS A 39 1.282 8.647 8.613 1.00 0.65 C ATOM 584 CE LYS A 39 0.340 7.485 8.993 1.00 0.80 C ATOM 585 NZ LYS A 39 0.878 6.209 8.437 1.00 0.75 N ATOM 0 H LYS A 39 1.316 10.409 4.541 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.239 8.059 4.305 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.553 7.437 6.452 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.838 8.413 5.769 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.355 10.280 7.189 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.268 9.719 7.541 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.283 8.262 8.417 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.366 9.342 9.449 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.252 7.414 10.077 1.00 0.80 H new ATOM 0 HE3 LYS A 39 -0.661 7.671 8.603 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.139 5.734 7.880 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 1.694 6.413 7.826 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.176 5.589 9.217 1.00 0.75 H new ATOM 599 N PRO A 40 -1.912 10.435 5.849 1.00 0.26 N ATOM 600 CA PRO A 40 -3.270 10.683 6.407 1.00 0.25 C ATOM 601 C PRO A 40 -4.370 10.216 5.461 1.00 0.20 C ATOM 602 O PRO A 40 -5.387 9.730 5.891 1.00 0.21 O ATOM 603 CB PRO A 40 -3.284 12.211 6.554 1.00 0.26 C ATOM 604 CG PRO A 40 -1.826 12.656 6.552 1.00 0.28 C ATOM 605 CD PRO A 40 -1.082 11.653 5.666 1.00 0.27 C ATOM 0 HA PRO A 40 -3.457 10.144 7.336 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.833 12.675 5.735 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.780 12.508 7.478 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.727 13.669 6.163 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.418 12.662 7.563 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -1.044 11.973 4.625 1.00 0.27 H new ATOM 0 HD3 PRO A 40 -0.052 11.502 5.990 1.00 0.27 H new ATOM 613 N PHE A 41 -4.184 10.362 4.176 1.00 0.16 N ATOM 614 CA PHE A 41 -5.252 9.913 3.245 1.00 0.13 C ATOM 615 C PHE A 41 -5.273 8.393 3.217 1.00 0.13 C ATOM 616 O PHE A 41 -6.286 7.761 3.440 1.00 0.15 O ATOM 617 CB PHE A 41 -4.957 10.426 1.836 1.00 0.14 C ATOM 618 CG PHE A 41 -5.173 11.917 1.768 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.223 12.795 2.308 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.329 12.422 1.163 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.435 14.180 2.242 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.542 13.802 1.100 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.596 14.680 1.638 1.00 0.37 C ATOM 0 H PHE A 41 -3.355 10.765 3.740 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.214 10.301 3.581 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -3.929 10.187 1.562 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.603 9.924 1.116 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.330 12.406 2.774 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.058 11.744 0.744 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.705 14.860 2.656 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.437 14.190 0.636 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.761 15.746 1.588 1.00 0.37 H new ATOM 633 N PHE A 42 -4.141 7.803 2.992 1.00 0.12 N ATOM 634 CA PHE A 42 -4.068 6.324 2.969 1.00 0.13 C ATOM 635 C PHE A 42 -4.522 5.784 4.328 1.00 0.14 C ATOM 636 O PHE A 42 -5.349 4.900 4.411 1.00 0.16 O ATOM 637 CB PHE A 42 -2.605 5.941 2.690 1.00 0.13 C ATOM 638 CG PHE A 42 -2.459 4.445 2.604 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.802 3.786 1.423 1.00 0.12 C ATOM 640 CD2 PHE A 42 -1.991 3.716 3.709 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.683 2.395 1.339 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.869 2.323 3.625 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.216 1.662 2.440 1.00 0.13 C ATOM 0 H PHE A 42 -3.258 8.284 2.822 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.714 5.901 2.200 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.274 6.399 1.758 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.964 6.330 3.481 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.159 4.350 0.574 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.726 4.228 4.622 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -2.951 1.885 0.426 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.508 1.760 4.473 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.124 0.588 2.374 1.00 0.13 H new ATOM 653 N HIS A 43 -4.005 6.327 5.390 1.00 0.16 N ATOM 654 CA HIS A 43 -4.399 5.871 6.754 1.00 0.18 C ATOM 655 C HIS A 43 -5.857 6.247 7.055 1.00 0.16 C ATOM 656 O HIS A 43 -6.599 5.475 7.626 1.00 0.16 O ATOM 657 CB HIS A 43 -3.468 6.542 7.774 1.00 0.23 C ATOM 658 CG HIS A 43 -3.826 6.110 9.169 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.193 5.053 9.804 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.789 6.547 10.039 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.791 4.882 10.999 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.770 5.768 11.193 1.00 0.31 N ATOM 0 H HIS A 43 -3.316 7.079 5.374 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.312 4.786 6.814 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.432 6.279 7.559 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.546 7.626 7.690 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.462 7.372 9.857 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.512 4.121 11.713 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.374 5.856 12.010 1.00 0.31 H new ATOM 670 N SER A 44 -6.268 7.436 6.701 1.00 0.15 N ATOM 671 CA SER A 44 -7.672 7.853 6.996 1.00 0.15 C ATOM 672 C SER A 44 -8.671 6.985 6.222 1.00 0.13 C ATOM 673 O SER A 44 -9.734 6.666 6.710 1.00 0.15 O ATOM 674 CB SER A 44 -7.889 9.329 6.651 1.00 0.18 C ATOM 675 OG SER A 44 -7.047 10.131 7.473 1.00 0.22 O ATOM 0 H SER A 44 -5.697 8.133 6.223 1.00 0.15 H new ATOM 0 HA SER A 44 -7.841 7.716 8.064 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.665 9.506 5.599 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.933 9.601 6.805 1.00 0.18 H new ATOM 0 HG SER A 44 -6.111 9.987 7.221 1.00 0.22 H new ATOM 681 N LEU A 45 -8.347 6.618 5.014 1.00 0.12 N ATOM 682 CA LEU A 45 -9.292 5.796 4.203 1.00 0.14 C ATOM 683 C LEU A 45 -9.534 4.439 4.872 1.00 0.13 C ATOM 684 O LEU A 45 -10.531 3.793 4.620 1.00 0.15 O ATOM 685 CB LEU A 45 -8.715 5.570 2.805 1.00 0.16 C ATOM 686 CG LEU A 45 -8.763 6.876 1.985 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.804 6.758 0.797 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.184 7.128 1.455 1.00 0.22 C ATOM 0 H LEU A 45 -7.468 6.851 4.551 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.238 6.332 4.130 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.686 5.219 2.882 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.280 4.791 2.293 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.471 7.706 2.629 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.833 7.678 0.213 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.791 6.592 1.163 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.105 5.920 0.169 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.199 8.053 0.879 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.487 6.298 0.816 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.876 7.211 2.293 1.00 0.22 H new ATOM 700 N SER A 46 -8.636 3.985 5.708 1.00 0.12 N ATOM 701 CA SER A 46 -8.852 2.658 6.353 1.00 0.12 C ATOM 702 C SER A 46 -10.225 2.677 7.016 1.00 0.14 C ATOM 703 O SER A 46 -10.945 1.700 7.013 1.00 0.16 O ATOM 704 CB SER A 46 -7.785 2.409 7.425 1.00 0.13 C ATOM 705 OG SER A 46 -6.499 2.457 6.821 1.00 0.14 O ATOM 0 H SER A 46 -7.776 4.468 5.968 1.00 0.12 H new ATOM 0 HA SER A 46 -8.789 1.868 5.604 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.859 3.160 8.211 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.944 1.439 7.895 1.00 0.13 H new ATOM 0 HG SER A 46 -6.138 3.365 6.892 1.00 0.14 H new ATOM 711 N GLU A 47 -10.596 3.798 7.575 1.00 0.15 N ATOM 712 CA GLU A 47 -11.927 3.902 8.228 1.00 0.18 C ATOM 713 C GLU A 47 -12.973 4.317 7.192 1.00 0.18 C ATOM 714 O GLU A 47 -14.159 4.175 7.416 1.00 0.21 O ATOM 715 CB GLU A 47 -11.879 4.973 9.325 1.00 0.22 C ATOM 716 CG GLU A 47 -11.028 4.485 10.497 1.00 0.23 C ATOM 717 CD GLU A 47 -9.545 4.546 10.126 1.00 1.34 C ATOM 718 OE1 GLU A 47 -9.229 5.139 9.107 1.00 2.05 O ATOM 719 OE2 GLU A 47 -8.748 3.989 10.864 1.00 2.16 O ATOM 0 H GLU A 47 -10.031 4.647 7.606 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.188 2.936 8.659 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.464 5.898 8.924 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.889 5.199 9.668 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -11.217 5.101 11.376 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -11.305 3.463 10.758 1.00 0.23 H new ATOM 726 N LYS A 48 -12.562 4.805 6.045 1.00 0.17 N ATOM 727 CA LYS A 48 -13.579 5.183 5.024 1.00 0.19 C ATOM 728 C LYS A 48 -14.076 3.900 4.388 1.00 0.18 C ATOM 729 O LYS A 48 -15.246 3.735 4.113 1.00 0.21 O ATOM 730 CB LYS A 48 -12.977 6.085 3.946 1.00 0.20 C ATOM 731 CG LYS A 48 -14.112 6.588 3.048 1.00 0.30 C ATOM 732 CD LYS A 48 -13.542 7.416 1.899 1.00 0.82 C ATOM 733 CE LYS A 48 -14.685 7.860 0.985 1.00 1.03 C ATOM 734 NZ LYS A 48 -14.146 8.741 -0.090 1.00 1.78 N ATOM 0 H LYS A 48 -11.589 4.954 5.779 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.389 5.735 5.500 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.454 6.925 4.403 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.243 5.535 3.357 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.676 5.743 2.653 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.808 7.191 3.631 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -13.013 8.286 2.289 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -12.817 6.828 1.336 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -15.173 6.990 0.546 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -15.441 8.393 1.562 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -14.922 9.044 -0.712 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -13.699 9.577 0.338 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -13.440 8.218 -0.646 1.00 1.78 H new ATOM 748 N TYR A 49 -13.175 2.977 4.187 1.00 0.16 N ATOM 749 CA TYR A 49 -13.542 1.655 3.608 1.00 0.17 C ATOM 750 C TYR A 49 -13.078 0.589 4.591 1.00 0.16 C ATOM 751 O TYR A 49 -12.161 -0.163 4.330 1.00 0.16 O ATOM 752 CB TYR A 49 -12.828 1.445 2.270 1.00 0.17 C ATOM 753 CG TYR A 49 -13.282 2.482 1.269 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.565 2.394 0.719 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.429 3.528 0.890 1.00 0.19 C ATOM 756 CE1 TYR A 49 -14.996 3.346 -0.210 1.00 0.25 C ATOM 757 CE2 TYR A 49 -12.861 4.480 -0.045 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.146 4.388 -0.592 1.00 0.21 C ATOM 759 OH TYR A 49 -14.576 5.325 -1.511 1.00 0.25 O ATOM 0 H TYR A 49 -12.184 3.086 4.404 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.617 1.602 3.438 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.749 1.512 2.411 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -13.038 0.445 1.890 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.224 1.590 1.012 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.440 3.601 1.318 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -15.987 3.276 -0.633 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.203 5.283 -0.342 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.865 5.982 -1.666 1.00 0.25 H new ATOM 769 N SER A 50 -13.717 0.517 5.721 1.00 0.17 N ATOM 770 CA SER A 50 -13.326 -0.488 6.734 1.00 0.18 C ATOM 771 C SER A 50 -13.571 -1.885 6.169 1.00 0.19 C ATOM 772 O SER A 50 -13.155 -2.878 6.733 1.00 0.21 O ATOM 773 CB SER A 50 -14.135 -0.253 8.010 1.00 0.20 C ATOM 774 OG SER A 50 -15.494 -0.595 7.782 1.00 0.22 O ATOM 0 H SER A 50 -14.499 1.117 5.985 1.00 0.17 H new ATOM 0 HA SER A 50 -12.268 -0.397 6.978 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.730 -0.853 8.825 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.058 0.791 8.314 1.00 0.20 H new ATOM 0 HG SER A 50 -16.011 -0.446 8.601 1.00 0.22 H new ATOM 780 N ASN A 51 -14.221 -1.967 5.035 1.00 0.20 N ATOM 781 CA ASN A 51 -14.471 -3.299 4.409 1.00 0.23 C ATOM 782 C ASN A 51 -13.289 -3.640 3.496 1.00 0.19 C ATOM 783 O ASN A 51 -13.315 -4.611 2.769 1.00 0.22 O ATOM 784 CB ASN A 51 -15.759 -3.248 3.579 1.00 0.32 C ATOM 785 CG ASN A 51 -16.196 -4.669 3.209 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.652 -5.417 4.052 1.00 1.13 O ATOM 787 ND2 ASN A 51 -16.077 -5.075 1.974 1.00 0.27 N ATOM 0 H ASN A 51 -14.589 -1.169 4.517 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.578 -4.058 5.184 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.547 -2.751 4.145 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.597 -2.661 2.675 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.366 -6.019 1.717 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.695 -4.448 1.266 1.00 0.27 H new ATOM 794 N VAL A 52 -12.240 -2.851 3.549 1.00 0.21 N ATOM 795 CA VAL A 52 -11.023 -3.117 2.717 1.00 0.17 C ATOM 796 C VAL A 52 -9.808 -3.130 3.645 1.00 0.13 C ATOM 797 O VAL A 52 -9.777 -2.423 4.633 1.00 0.14 O ATOM 798 CB VAL A 52 -10.860 -2.021 1.658 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.524 -2.203 0.925 1.00 0.19 C ATOM 800 CG2 VAL A 52 -12.015 -2.115 0.655 1.00 0.24 C ATOM 0 H VAL A 52 -12.176 -2.023 4.142 1.00 0.21 H new ATOM 0 HA VAL A 52 -11.119 -4.075 2.206 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.872 -1.043 2.140 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.412 -1.422 0.173 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.704 -2.138 1.641 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.505 -3.179 0.440 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.905 -1.338 -0.101 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -12.001 -3.093 0.174 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.962 -1.981 1.177 1.00 0.24 H new ATOM 810 N ILE A 53 -8.816 -3.938 3.362 1.00 0.11 N ATOM 811 CA ILE A 53 -7.619 -3.995 4.265 1.00 0.09 C ATOM 812 C ILE A 53 -6.478 -3.153 3.672 1.00 0.09 C ATOM 813 O ILE A 53 -6.004 -3.421 2.585 1.00 0.12 O ATOM 814 CB ILE A 53 -7.151 -5.455 4.381 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.349 -6.357 4.728 1.00 0.13 C ATOM 816 CG2 ILE A 53 -6.072 -5.578 5.470 1.00 0.13 C ATOM 817 CD1 ILE A 53 -9.080 -5.830 5.971 1.00 0.15 C ATOM 0 H ILE A 53 -8.780 -4.557 2.552 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.887 -3.604 5.246 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.727 -5.770 3.427 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -9.038 -6.397 3.884 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -8.005 -7.376 4.907 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.747 -6.616 5.545 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.220 -4.949 5.211 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.483 -5.257 6.427 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.924 -6.481 6.200 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.393 -5.814 6.817 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.443 -4.820 5.779 1.00 0.15 H new ATOM 829 N PHE A 54 -6.025 -2.143 4.385 1.00 0.08 N ATOM 830 CA PHE A 54 -4.904 -1.284 3.867 1.00 0.09 C ATOM 831 C PHE A 54 -3.578 -1.689 4.537 1.00 0.09 C ATOM 832 O PHE A 54 -3.476 -1.741 5.747 1.00 0.12 O ATOM 833 CB PHE A 54 -5.170 0.190 4.208 1.00 0.10 C ATOM 834 CG PHE A 54 -6.364 0.718 3.442 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.662 0.359 3.828 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.172 1.579 2.351 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.766 0.861 3.125 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.279 2.078 1.647 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.574 1.718 2.034 1.00 0.10 C ATOM 0 H PHE A 54 -6.383 -1.876 5.302 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.842 -1.419 2.787 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.346 0.293 5.279 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.289 0.786 3.971 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.812 -0.304 4.667 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.172 1.858 2.053 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.766 0.586 3.425 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.131 2.740 0.807 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.426 2.101 1.492 1.00 0.10 H new ATOM 849 N LEU A 55 -2.553 -1.955 3.753 1.00 0.09 N ATOM 850 CA LEU A 55 -1.206 -2.332 4.318 1.00 0.11 C ATOM 851 C LEU A 55 -0.198 -1.212 4.066 1.00 0.10 C ATOM 852 O LEU A 55 -0.184 -0.598 3.019 1.00 0.10 O ATOM 853 CB LEU A 55 -0.650 -3.622 3.669 1.00 0.12 C ATOM 854 CG LEU A 55 -1.400 -4.874 4.154 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.912 -4.711 3.994 1.00 0.20 C ATOM 856 CD2 LEU A 55 -0.933 -6.093 3.354 1.00 0.22 C ATOM 0 H LEU A 55 -2.591 -1.927 2.734 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.347 -2.498 5.386 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.731 -3.547 2.585 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.410 -3.719 3.904 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.180 -5.014 5.212 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.414 -5.612 4.345 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.250 -3.856 4.579 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.151 -4.549 2.943 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.465 -6.980 3.698 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.139 -5.934 2.296 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.138 -6.234 3.498 1.00 0.22 H new ATOM 868 N GLU A 56 0.679 -0.983 5.012 1.00 0.12 N ATOM 869 CA GLU A 56 1.741 0.056 4.847 1.00 0.13 C ATOM 870 C GLU A 56 3.080 -0.679 4.795 1.00 0.13 C ATOM 871 O GLU A 56 3.352 -1.524 5.622 1.00 0.14 O ATOM 872 CB GLU A 56 1.717 1.013 6.045 1.00 0.15 C ATOM 873 CG GLU A 56 2.648 2.196 5.763 1.00 0.17 C ATOM 874 CD GLU A 56 2.722 3.112 6.991 1.00 0.20 C ATOM 875 OE1 GLU A 56 3.432 2.766 7.921 1.00 1.05 O ATOM 876 OE2 GLU A 56 2.073 4.147 6.977 1.00 1.13 O ATOM 0 H GLU A 56 0.704 -1.479 5.903 1.00 0.12 H new ATOM 0 HA GLU A 56 1.582 0.640 3.940 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.702 1.368 6.222 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.035 0.492 6.948 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.644 1.833 5.510 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.285 2.757 4.902 1.00 0.17 H new ATOM 883 N VAL A 57 3.904 -0.401 3.812 1.00 0.12 N ATOM 884 CA VAL A 57 5.214 -1.128 3.688 1.00 0.12 C ATOM 885 C VAL A 57 6.373 -0.144 3.560 1.00 0.11 C ATOM 886 O VAL A 57 6.339 0.775 2.767 1.00 0.13 O ATOM 887 CB VAL A 57 5.162 -2.001 2.439 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.442 -2.830 2.330 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.951 -2.925 2.537 1.00 0.14 C ATOM 0 H VAL A 57 3.728 0.297 3.089 1.00 0.12 H new ATOM 0 HA VAL A 57 5.373 -1.733 4.581 1.00 0.12 H new ATOM 0 HB VAL A 57 5.077 -1.373 1.552 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.398 -3.451 1.435 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.303 -2.164 2.267 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.539 -3.467 3.209 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.902 -3.556 1.649 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.043 -3.553 3.423 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.042 -2.327 2.608 1.00 0.14 H new ATOM 899 N ASP A 58 7.410 -0.344 4.324 1.00 0.10 N ATOM 900 CA ASP A 58 8.591 0.558 4.248 1.00 0.09 C ATOM 901 C ASP A 58 9.608 -0.042 3.277 1.00 0.09 C ATOM 902 O ASP A 58 10.113 -1.124 3.497 1.00 0.09 O ATOM 903 CB ASP A 58 9.229 0.648 5.630 1.00 0.10 C ATOM 904 CG ASP A 58 10.277 1.765 5.642 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.386 2.459 4.645 1.00 1.05 O ATOM 906 OD2 ASP A 58 10.949 1.908 6.653 1.00 1.02 O ATOM 0 H ASP A 58 7.490 -1.101 5.003 1.00 0.10 H new ATOM 0 HA ASP A 58 8.286 1.548 3.909 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.465 0.845 6.382 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.694 -0.303 5.889 1.00 0.10 H new ATOM 911 N VAL A 59 9.946 0.647 2.226 1.00 0.09 N ATOM 912 CA VAL A 59 10.953 0.077 1.294 1.00 0.10 C ATOM 913 C VAL A 59 12.288 0.027 2.025 1.00 0.11 C ATOM 914 O VAL A 59 13.211 -0.647 1.614 1.00 0.12 O ATOM 915 CB VAL A 59 11.089 0.963 0.058 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.743 1.034 -0.666 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.532 2.368 0.479 1.00 0.16 C ATOM 0 H VAL A 59 9.576 1.564 1.975 1.00 0.09 H new ATOM 0 HA VAL A 59 10.645 -0.919 0.976 1.00 0.10 H new ATOM 0 HB VAL A 59 11.837 0.542 -0.614 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.838 1.666 -1.549 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.439 0.032 -0.968 1.00 0.14 H new ATOM 0 HG13 VAL A 59 8.992 1.455 0.003 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.629 2.999 -0.404 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.790 2.797 1.152 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.493 2.309 0.989 1.00 0.16 H new ATOM 927 N ASP A 60 12.408 0.763 3.102 1.00 0.10 N ATOM 928 CA ASP A 60 13.697 0.779 3.852 1.00 0.12 C ATOM 929 C ASP A 60 13.712 -0.277 4.972 1.00 0.13 C ATOM 930 O ASP A 60 14.689 -0.981 5.136 1.00 0.15 O ATOM 931 CB ASP A 60 13.876 2.170 4.458 1.00 0.14 C ATOM 932 CG ASP A 60 14.362 3.139 3.377 1.00 0.16 C ATOM 933 OD1 ASP A 60 13.551 3.526 2.551 1.00 1.07 O ATOM 934 OD2 ASP A 60 15.534 3.475 3.392 1.00 1.08 O ATOM 0 H ASP A 60 11.671 1.351 3.491 1.00 0.10 H new ATOM 0 HA ASP A 60 14.511 0.543 3.166 1.00 0.12 H new ATOM 0 HB2 ASP A 60 12.933 2.520 4.877 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.594 2.132 5.277 1.00 0.14 H new ATOM 939 N ASP A 61 12.654 -0.414 5.734 1.00 0.13 N ATOM 940 CA ASP A 61 12.658 -1.447 6.829 1.00 0.15 C ATOM 941 C ASP A 61 12.021 -2.726 6.293 1.00 0.14 C ATOM 942 O ASP A 61 12.140 -3.789 6.869 1.00 0.19 O ATOM 943 CB ASP A 61 11.864 -0.942 8.045 1.00 0.16 C ATOM 944 CG ASP A 61 12.552 0.295 8.629 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.584 0.678 8.105 1.00 1.07 O ATOM 946 OD2 ASP A 61 12.033 0.840 9.588 1.00 1.01 O ATOM 0 H ASP A 61 11.797 0.134 5.651 1.00 0.13 H new ATOM 0 HA ASP A 61 13.683 -1.640 7.144 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.843 -0.698 7.750 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.799 -1.725 8.800 1.00 0.16 H new ATOM 951 N ALA A 62 11.345 -2.614 5.179 1.00 0.11 N ATOM 952 CA ALA A 62 10.679 -3.791 4.549 1.00 0.12 C ATOM 953 C ALA A 62 11.201 -3.917 3.112 1.00 0.11 C ATOM 954 O ALA A 62 10.472 -4.235 2.192 1.00 0.12 O ATOM 955 CB ALA A 62 9.161 -3.563 4.558 1.00 0.14 C ATOM 0 H ALA A 62 11.225 -1.738 4.670 1.00 0.11 H new ATOM 0 HA ALA A 62 10.896 -4.709 5.095 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.662 -4.417 4.100 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.816 -3.450 5.586 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.925 -2.660 3.995 1.00 0.14 H new ATOM 961 N GLN A 63 12.464 -3.643 2.926 1.00 0.11 N ATOM 962 CA GLN A 63 13.071 -3.698 1.563 1.00 0.12 C ATOM 963 C GLN A 63 12.933 -5.099 0.967 1.00 0.12 C ATOM 964 O GLN A 63 13.036 -5.280 -0.229 1.00 0.14 O ATOM 965 CB GLN A 63 14.555 -3.321 1.653 1.00 0.13 C ATOM 966 CG GLN A 63 15.344 -4.423 2.369 1.00 0.15 C ATOM 967 CD GLN A 63 16.767 -3.926 2.631 1.00 0.77 C ATOM 968 OE1 GLN A 63 17.310 -4.130 3.699 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.399 -3.276 1.691 1.00 1.43 N ATOM 0 H GLN A 63 13.110 -3.380 3.670 1.00 0.11 H new ATOM 0 HA GLN A 63 12.548 -2.994 0.916 1.00 0.12 H new ATOM 0 HB2 GLN A 63 14.959 -3.167 0.652 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.665 -2.379 2.190 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.857 -4.685 3.309 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.367 -5.326 1.760 1.00 0.15 H new ATOM 0 HE21 GLN A 63 16.943 -3.105 0.795 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.348 -2.940 1.853 1.00 1.43 H new ATOM 978 N ASP A 64 12.681 -6.088 1.771 1.00 0.13 N ATOM 979 CA ASP A 64 12.521 -7.454 1.213 1.00 0.13 C ATOM 980 C ASP A 64 11.263 -7.486 0.349 1.00 0.15 C ATOM 981 O ASP A 64 11.253 -8.041 -0.733 1.00 0.16 O ATOM 982 CB ASP A 64 12.391 -8.468 2.353 1.00 0.17 C ATOM 983 CG ASP A 64 11.396 -7.948 3.387 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.219 -8.172 3.207 1.00 1.02 O ATOM 985 OD2 ASP A 64 11.832 -7.329 4.340 1.00 1.05 O ATOM 0 H ASP A 64 12.579 -6.011 2.783 1.00 0.13 H new ATOM 0 HA ASP A 64 13.392 -7.712 0.610 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.057 -9.429 1.962 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.362 -8.634 2.819 1.00 0.17 H new ATOM 990 N VAL A 65 10.200 -6.888 0.819 1.00 0.17 N ATOM 991 CA VAL A 65 8.933 -6.880 0.031 1.00 0.22 C ATOM 992 C VAL A 65 9.098 -6.012 -1.220 1.00 0.22 C ATOM 993 O VAL A 65 8.679 -6.374 -2.302 1.00 0.26 O ATOM 994 CB VAL A 65 7.812 -6.265 0.884 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.461 -6.599 0.254 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.873 -6.812 2.314 1.00 0.32 C ATOM 0 H VAL A 65 10.155 -6.404 1.716 1.00 0.17 H new ATOM 0 HA VAL A 65 8.691 -7.904 -0.253 1.00 0.22 H new ATOM 0 HB VAL A 65 7.940 -5.183 0.922 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.662 -6.165 0.855 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.419 -6.190 -0.755 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.337 -7.681 0.212 1.00 0.35 H new ATOM 0 HG21 VAL A 65 7.074 -6.368 2.908 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.752 -7.895 2.295 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.836 -6.562 2.758 1.00 0.32 H new ATOM 1006 N ALA A 66 9.685 -4.858 -1.070 1.00 0.19 N ATOM 1007 CA ALA A 66 9.854 -3.949 -2.235 1.00 0.22 C ATOM 1008 C ALA A 66 10.886 -4.513 -3.215 1.00 0.23 C ATOM 1009 O ALA A 66 10.734 -4.407 -4.416 1.00 0.26 O ATOM 1010 CB ALA A 66 10.300 -2.562 -1.747 1.00 0.25 C ATOM 0 H ALA A 66 10.056 -4.505 -0.188 1.00 0.19 H new ATOM 0 HA ALA A 66 8.899 -3.863 -2.752 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.423 -1.898 -2.602 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.545 -2.153 -1.075 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.248 -2.650 -1.217 1.00 0.25 H new ATOM 1016 N SER A 67 11.944 -5.093 -2.722 1.00 0.21 N ATOM 1017 CA SER A 67 12.972 -5.635 -3.653 1.00 0.23 C ATOM 1018 C SER A 67 12.347 -6.740 -4.501 1.00 0.23 C ATOM 1019 O SER A 67 12.690 -6.924 -5.652 1.00 0.24 O ATOM 1020 CB SER A 67 14.148 -6.198 -2.857 1.00 0.23 C ATOM 1021 OG SER A 67 13.701 -7.292 -2.069 1.00 0.22 O ATOM 0 H SER A 67 12.140 -5.214 -1.728 1.00 0.21 H new ATOM 0 HA SER A 67 13.334 -4.836 -4.301 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.938 -6.522 -3.534 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.573 -5.424 -2.218 1.00 0.23 H new ATOM 0 HG SER A 67 12.769 -7.145 -1.804 1.00 0.22 H new ATOM 1027 N GLU A 68 11.419 -7.465 -3.943 1.00 0.23 N ATOM 1028 CA GLU A 68 10.755 -8.553 -4.710 1.00 0.25 C ATOM 1029 C GLU A 68 9.980 -7.953 -5.888 1.00 0.22 C ATOM 1030 O GLU A 68 9.961 -8.496 -6.975 1.00 0.24 O ATOM 1031 CB GLU A 68 9.785 -9.300 -3.785 1.00 0.29 C ATOM 1032 CG GLU A 68 9.157 -10.483 -4.528 1.00 0.32 C ATOM 1033 CD GLU A 68 8.062 -11.114 -3.669 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.084 -10.438 -3.401 1.00 1.96 O ATOM 1035 OE2 GLU A 68 8.216 -12.266 -3.302 1.00 2.06 O ATOM 0 H GLU A 68 11.091 -7.350 -2.984 1.00 0.23 H new ATOM 0 HA GLU A 68 11.507 -9.245 -5.090 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.314 -9.655 -2.901 1.00 0.29 H new ATOM 0 HB3 GLU A 68 9.005 -8.622 -3.439 1.00 0.29 H new ATOM 0 HG2 GLU A 68 8.739 -10.147 -5.477 1.00 0.32 H new ATOM 0 HG3 GLU A 68 9.921 -11.224 -4.761 1.00 0.32 H new ATOM 1042 N ALA A 69 9.333 -6.835 -5.677 1.00 0.20 N ATOM 1043 CA ALA A 69 8.543 -6.203 -6.775 1.00 0.20 C ATOM 1044 C ALA A 69 9.432 -5.282 -7.612 1.00 0.19 C ATOM 1045 O ALA A 69 8.969 -4.627 -8.526 1.00 0.20 O ATOM 1046 CB ALA A 69 7.411 -5.376 -6.168 1.00 0.23 C ATOM 0 H ALA A 69 9.318 -6.332 -4.790 1.00 0.20 H new ATOM 0 HA ALA A 69 8.140 -6.989 -7.414 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.831 -4.912 -6.966 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.763 -6.024 -5.578 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.830 -4.601 -5.527 1.00 0.23 H new ATOM 1052 N GLU A 70 10.694 -5.210 -7.299 1.00 0.18 N ATOM 1053 CA GLU A 70 11.604 -4.313 -8.071 1.00 0.18 C ATOM 1054 C GLU A 70 11.009 -2.911 -8.092 1.00 0.17 C ATOM 1055 O GLU A 70 10.861 -2.311 -9.138 1.00 0.18 O ATOM 1056 CB GLU A 70 11.750 -4.797 -9.513 1.00 0.22 C ATOM 1057 CG GLU A 70 12.314 -6.212 -9.528 1.00 0.24 C ATOM 1058 CD GLU A 70 13.742 -6.211 -8.981 1.00 1.24 C ATOM 1059 OE1 GLU A 70 14.352 -5.156 -8.976 1.00 2.02 O ATOM 1060 OE2 GLU A 70 14.202 -7.266 -8.578 1.00 2.02 O ATOM 0 H GLU A 70 11.137 -5.732 -6.543 1.00 0.18 H new ATOM 0 HA GLU A 70 12.584 -4.316 -7.594 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.782 -4.776 -10.013 1.00 0.22 H new ATOM 0 HB3 GLU A 70 12.409 -4.127 -10.066 1.00 0.22 H new ATOM 0 HG2 GLU A 70 11.686 -6.869 -8.927 1.00 0.24 H new ATOM 0 HG3 GLU A 70 12.305 -6.605 -10.545 1.00 0.24 H new ATOM 1067 N VAL A 71 10.658 -2.373 -6.960 1.00 0.15 N ATOM 1068 CA VAL A 71 10.063 -1.015 -6.976 1.00 0.14 C ATOM 1069 C VAL A 71 11.111 -0.037 -7.493 1.00 0.14 C ATOM 1070 O VAL A 71 12.248 -0.048 -7.062 1.00 0.16 O ATOM 1071 CB VAL A 71 9.653 -0.604 -5.566 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.931 0.742 -5.645 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.719 -1.663 -4.970 1.00 0.15 C ATOM 0 H VAL A 71 10.755 -2.806 -6.042 1.00 0.15 H new ATOM 0 HA VAL A 71 9.181 -1.010 -7.617 1.00 0.14 H new ATOM 0 HB VAL A 71 10.533 -0.517 -4.929 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.630 1.053 -4.645 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.600 1.489 -6.071 1.00 0.14 H new ATOM 0 HG13 VAL A 71 8.048 0.645 -6.276 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.428 -1.366 -3.962 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.829 -1.755 -5.592 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.235 -2.622 -4.931 1.00 0.15 H new ATOM 1083 N LYS A 72 10.743 0.788 -8.436 1.00 0.15 N ATOM 1084 CA LYS A 72 11.716 1.755 -9.016 1.00 0.16 C ATOM 1085 C LYS A 72 11.467 3.167 -8.472 1.00 0.15 C ATOM 1086 O LYS A 72 12.278 4.053 -8.655 1.00 0.16 O ATOM 1087 CB LYS A 72 11.570 1.736 -10.540 1.00 0.19 C ATOM 1088 CG LYS A 72 11.876 0.321 -11.087 1.00 0.23 C ATOM 1089 CD LYS A 72 13.394 0.107 -11.179 1.00 0.74 C ATOM 1090 CE LYS A 72 13.686 -1.198 -11.923 1.00 0.88 C ATOM 1091 NZ LYS A 72 15.157 -1.420 -11.951 1.00 1.60 N ATOM 0 H LYS A 72 9.804 0.833 -8.831 1.00 0.15 H new ATOM 0 HA LYS A 72 12.729 1.467 -8.737 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.559 2.031 -10.820 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.249 2.462 -10.987 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.434 -0.433 -10.435 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.423 0.197 -12.071 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.858 0.945 -11.699 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.827 0.072 -10.179 1.00 0.74 H new ATOM 0 HE2 LYS A 72 13.188 -2.033 -11.429 1.00 0.88 H new ATOM 0 HE3 LYS A 72 13.293 -1.149 -12.939 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 15.365 -2.306 -12.455 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 15.619 -0.627 -12.440 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 15.517 -1.483 -10.977 1.00 1.60 H new ATOM 1105 N ALA A 73 10.367 3.396 -7.801 1.00 0.13 N ATOM 1106 CA ALA A 73 10.121 4.766 -7.260 1.00 0.13 C ATOM 1107 C ALA A 73 9.041 4.746 -6.173 1.00 0.11 C ATOM 1108 O ALA A 73 8.182 3.893 -6.150 1.00 0.12 O ATOM 1109 CB ALA A 73 9.688 5.684 -8.404 1.00 0.14 C ATOM 0 H ALA A 73 9.640 2.707 -7.607 1.00 0.13 H new ATOM 0 HA ALA A 73 11.043 5.136 -6.811 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.506 6.687 -8.017 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.475 5.723 -9.157 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.774 5.298 -8.854 1.00 0.14 H new ATOM 1115 N THR A 74 9.078 5.714 -5.288 1.00 0.11 N ATOM 1116 CA THR A 74 8.060 5.811 -4.194 1.00 0.11 C ATOM 1117 C THR A 74 7.437 7.214 -4.236 1.00 0.12 C ATOM 1118 O THR A 74 8.088 8.142 -4.660 1.00 0.15 O ATOM 1119 CB THR A 74 8.777 5.637 -2.839 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.576 6.778 -2.587 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.666 4.394 -2.859 1.00 0.14 C ATOM 0 H THR A 74 9.782 6.452 -5.278 1.00 0.11 H new ATOM 0 HA THR A 74 7.293 5.047 -4.319 1.00 0.11 H new ATOM 0 HB THR A 74 8.028 5.521 -2.055 1.00 0.12 H new ATOM 0 HG1 THR A 74 10.033 6.674 -1.726 1.00 0.15 H new ATOM 0 HG21 THR A 74 10.164 4.287 -1.895 1.00 0.14 H new ATOM 0 HG22 THR A 74 9.055 3.512 -3.051 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.415 4.495 -3.645 1.00 0.14 H new ATOM 1129 N PRO A 75 6.225 7.405 -3.758 1.00 0.13 N ATOM 1130 CA PRO A 75 5.363 6.312 -3.216 1.00 0.10 C ATOM 1131 C PRO A 75 4.716 5.466 -4.323 1.00 0.09 C ATOM 1132 O PRO A 75 4.313 5.969 -5.355 1.00 0.10 O ATOM 1133 CB PRO A 75 4.316 7.109 -2.416 1.00 0.12 C ATOM 1134 CG PRO A 75 4.327 8.555 -2.943 1.00 0.15 C ATOM 1135 CD PRO A 75 5.640 8.774 -3.716 1.00 0.16 C ATOM 0 HA PRO A 75 5.912 5.580 -2.625 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.327 6.667 -2.533 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.550 7.088 -1.352 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.469 8.729 -3.593 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.250 9.262 -2.117 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.461 9.169 -4.716 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.297 9.480 -3.208 1.00 0.16 H new ATOM 1143 N THR A 76 4.590 4.182 -4.085 1.00 0.09 N ATOM 1144 CA THR A 76 3.949 3.271 -5.088 1.00 0.09 C ATOM 1145 C THR A 76 2.881 2.437 -4.399 1.00 0.10 C ATOM 1146 O THR A 76 3.100 1.864 -3.349 1.00 0.12 O ATOM 1147 CB THR A 76 4.993 2.345 -5.706 1.00 0.10 C ATOM 1148 OG1 THR A 76 6.012 3.134 -6.295 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.338 1.471 -6.778 1.00 0.13 C ATOM 0 H THR A 76 4.906 3.722 -3.231 1.00 0.09 H new ATOM 0 HA THR A 76 3.499 3.873 -5.877 1.00 0.09 H new ATOM 0 HB THR A 76 5.419 1.703 -4.935 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.880 2.886 -5.913 1.00 0.11 H new ATOM 0 HG21 THR A 76 5.086 0.811 -7.217 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.547 0.872 -6.326 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.913 2.106 -7.556 1.00 0.13 H new ATOM 1157 N PHE A 77 1.716 2.384 -4.974 1.00 0.10 N ATOM 1158 CA PHE A 77 0.599 1.602 -4.368 1.00 0.10 C ATOM 1159 C PHE A 77 0.343 0.351 -5.213 1.00 0.10 C ATOM 1160 O PHE A 77 0.234 0.420 -6.422 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.655 2.478 -4.346 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.358 3.722 -3.543 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.530 3.721 -2.152 1.00 0.18 C ATOM 1164 CD2 PHE A 77 0.105 4.874 -4.191 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.241 4.875 -1.411 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.393 6.030 -3.450 1.00 0.16 C ATOM 1167 CZ PHE A 77 0.220 6.029 -2.061 1.00 0.19 C ATOM 0 H PHE A 77 1.484 2.854 -5.849 1.00 0.10 H new ATOM 0 HA PHE A 77 0.856 1.301 -3.352 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -0.949 2.744 -5.361 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.490 1.933 -3.905 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -0.885 2.832 -1.652 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.241 4.872 -5.262 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.373 4.876 -0.339 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.748 6.919 -3.950 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.442 6.918 -1.489 1.00 0.19 H new ATOM 1177 N GLN A 78 0.224 -0.790 -4.577 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.044 -2.062 -5.320 1.00 0.09 C ATOM 1179 C GLN A 78 -1.319 -2.677 -4.777 1.00 0.08 C ATOM 1180 O GLN A 78 -1.586 -2.643 -3.592 1.00 0.09 O ATOM 1181 CB GLN A 78 1.111 -3.049 -5.119 1.00 0.09 C ATOM 1182 CG GLN A 78 2.353 -2.552 -5.864 1.00 0.12 C ATOM 1183 CD GLN A 78 3.408 -3.660 -5.876 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.078 -4.825 -5.776 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.671 -3.348 -5.986 1.00 0.29 N ATOM 0 H GLN A 78 0.302 -0.895 -3.565 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.143 -1.846 -6.384 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.331 -3.154 -4.057 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.826 -4.035 -5.485 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.092 -2.271 -6.884 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.750 -1.660 -5.379 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.949 -2.370 -6.070 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.379 -4.082 -5.988 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.117 -3.231 -5.643 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.403 -3.846 -5.204 1.00 0.07 C ATOM 1196 C PHE A 79 -3.319 -5.359 -5.299 1.00 0.07 C ATOM 1197 O PHE A 79 -2.869 -5.902 -6.283 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.510 -3.344 -6.117 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.668 -1.863 -5.901 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.767 -0.969 -6.493 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.704 -1.384 -5.100 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.911 0.406 -6.285 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.847 -0.011 -4.889 1.00 0.14 C ATOM 1204 CZ PHE A 79 -4.951 0.886 -5.481 1.00 0.12 C ATOM 0 H PHE A 79 -1.934 -3.286 -6.645 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.608 -3.572 -4.169 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.266 -3.551 -7.159 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.445 -3.861 -5.900 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.962 -1.341 -7.109 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.396 -2.075 -4.642 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.220 1.097 -6.745 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.650 0.359 -4.268 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.062 1.948 -5.318 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.760 -6.038 -4.274 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.726 -7.527 -4.264 1.00 0.08 C ATOM 1216 C PHE A 80 -5.125 -8.075 -4.000 1.00 0.09 C ATOM 1217 O PHE A 80 -5.916 -7.483 -3.291 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.756 -7.994 -3.181 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.333 -7.745 -3.633 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.663 -8.731 -4.371 1.00 0.12 C ATOM 1221 CD2 PHE A 80 -0.674 -6.547 -3.307 1.00 0.11 C ATOM 1222 CE1 PHE A 80 0.660 -8.523 -4.780 1.00 0.14 C ATOM 1223 CE2 PHE A 80 0.649 -6.344 -3.721 1.00 0.13 C ATOM 1224 CZ PHE A 80 1.316 -7.332 -4.453 1.00 0.15 C ATOM 0 H PHE A 80 -4.148 -5.616 -3.431 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.389 -7.897 -5.232 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.951 -7.462 -2.250 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.904 -9.055 -2.979 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.168 -9.652 -4.624 1.00 0.12 H new ATOM 0 HD2 PHE A 80 -1.186 -5.785 -2.739 1.00 0.11 H new ATOM 0 HE1 PHE A 80 1.174 -9.283 -5.349 1.00 0.14 H new ATOM 0 HE2 PHE A 80 1.155 -5.422 -3.474 1.00 0.13 H new ATOM 0 HZ PHE A 80 2.338 -7.175 -4.766 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.437 -9.212 -4.572 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.784 -9.818 -4.368 1.00 0.12 C ATOM 1236 C LYS A 81 -6.615 -11.340 -4.338 1.00 0.11 C ATOM 1237 O LYS A 81 -5.978 -11.918 -5.187 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.690 -9.378 -5.526 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.138 -9.820 -5.283 1.00 0.26 C ATOM 1240 CD LYS A 81 -9.702 -9.143 -4.015 1.00 0.73 C ATOM 1241 CE LYS A 81 -11.223 -8.955 -4.134 1.00 1.02 C ATOM 1242 NZ LYS A 81 -11.906 -10.284 -4.170 1.00 1.68 N ATOM 0 H LYS A 81 -4.811 -9.747 -5.174 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.239 -9.495 -3.432 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.649 -8.294 -5.634 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.327 -9.805 -6.461 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.753 -9.562 -6.145 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.181 -10.904 -5.174 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.472 -9.750 -3.139 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -9.221 -8.176 -3.868 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -11.592 -8.371 -3.291 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -11.458 -8.393 -5.038 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -12.820 -10.191 -4.657 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -11.310 -10.967 -4.680 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.064 -10.620 -3.198 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.136 -11.983 -3.334 1.00 0.12 N ATOM 1257 CA LYS A 82 -6.958 -13.464 -3.215 1.00 0.13 C ATOM 1258 C LYS A 82 -5.471 -13.786 -3.389 1.00 0.13 C ATOM 1259 O LYS A 82 -5.104 -14.769 -4.001 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.758 -14.207 -4.292 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.258 -13.993 -4.079 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.034 -14.997 -4.935 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.525 -14.663 -4.884 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.276 -15.591 -5.777 1.00 1.22 N ATOM 0 H LYS A 82 -7.679 -11.551 -2.587 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.319 -13.786 -2.238 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.469 -13.850 -5.281 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.527 -15.272 -4.257 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.510 -14.122 -3.027 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.535 -12.974 -4.351 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.678 -14.965 -5.965 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -9.864 -16.010 -4.570 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -11.893 -14.749 -3.861 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.688 -13.631 -5.195 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.290 -15.363 -5.741 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -11.932 -15.488 -6.753 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -12.131 -16.571 -5.461 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.612 -12.965 -2.852 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.155 -13.231 -2.982 1.00 0.16 C ATOM 1280 C GLY A 83 -2.707 -13.021 -4.432 1.00 0.16 C ATOM 1281 O GLY A 83 -1.719 -13.585 -4.860 1.00 0.23 O ATOM 0 H GLY A 83 -4.857 -12.123 -2.330 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.596 -12.568 -2.321 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -2.935 -14.252 -2.670 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.424 -12.222 -5.195 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.037 -11.983 -6.630 1.00 0.15 C ATOM 1287 C GLN A 84 -2.963 -10.477 -6.919 1.00 0.12 C ATOM 1288 O GLN A 84 -3.839 -9.726 -6.558 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.081 -12.620 -7.567 1.00 0.20 C ATOM 1290 CG GLN A 84 -3.999 -14.149 -7.495 1.00 0.33 C ATOM 1291 CD GLN A 84 -2.726 -14.624 -8.191 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -1.942 -13.742 -8.741 1.00 0.95 O flip ATOM 1293 NE2 GLN A 84 -2.442 -15.805 -8.236 1.00 2.07 N flip ATOM 0 H GLN A 84 -4.260 -11.725 -4.887 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.060 -12.434 -6.803 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.081 -12.289 -7.287 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.911 -12.288 -8.591 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -4.001 -14.475 -6.455 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -4.873 -14.593 -7.970 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -3.058 -16.494 -7.804 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -1.588 -16.107 -8.705 1.00 2.07 H new ATOM 1302 N LYS A 85 -1.932 -10.036 -7.599 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.813 -8.577 -7.920 1.00 0.12 C ATOM 1304 C LYS A 85 -2.710 -8.247 -9.114 1.00 0.14 C ATOM 1305 O LYS A 85 -2.645 -8.884 -10.145 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.356 -8.250 -8.255 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.188 -6.733 -8.394 1.00 0.20 C ATOM 1308 CD LYS A 85 1.184 -6.415 -8.994 1.00 0.28 C ATOM 1309 CE LYS A 85 2.299 -6.843 -8.034 1.00 1.28 C ATOM 1310 NZ LYS A 85 2.553 -8.305 -8.177 1.00 1.82 N ATOM 0 H LYS A 85 -1.170 -10.620 -7.945 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.126 -7.982 -7.062 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.301 -8.629 -7.472 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.066 -8.745 -9.182 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -0.976 -6.328 -9.029 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.288 -6.256 -7.419 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.299 -6.930 -9.948 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.260 -5.347 -9.197 1.00 0.28 H new ATOM 0 HE2 LYS A 85 3.210 -6.284 -8.247 1.00 1.28 H new ATOM 0 HE3 LYS A 85 2.016 -6.612 -7.007 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 2.208 -8.802 -7.331 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 2.055 -8.663 -9.016 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 3.574 -8.471 -8.283 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.558 -7.254 -8.968 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.484 -6.860 -10.078 1.00 0.18 C ATOM 1326 C VAL A 86 -4.311 -5.379 -10.427 1.00 0.17 C ATOM 1327 O VAL A 86 -5.052 -4.843 -11.227 1.00 0.22 O ATOM 1328 CB VAL A 86 -5.932 -7.119 -9.655 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.158 -8.624 -9.470 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.214 -6.399 -8.335 1.00 0.26 C ATOM 0 H VAL A 86 -3.648 -6.696 -8.119 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.244 -7.457 -10.958 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.603 -6.745 -10.428 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.190 -8.803 -9.169 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -5.960 -9.140 -10.409 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.485 -9.001 -8.700 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.245 -6.583 -8.033 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.538 -6.772 -7.565 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.060 -5.328 -8.465 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.362 -4.694 -9.845 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.210 -3.249 -10.194 1.00 0.17 C ATOM 1342 C GLY A 87 -2.037 -2.612 -9.445 1.00 0.12 C ATOM 1343 O GLY A 87 -1.652 -3.039 -8.375 1.00 0.17 O ATOM 0 H GLY A 87 -2.700 -5.059 -9.160 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.056 -3.147 -11.268 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.130 -2.716 -9.952 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.482 -1.571 -10.012 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.339 -0.861 -9.365 1.00 0.13 C ATOM 1349 C GLU A 88 -0.147 0.490 -10.029 1.00 0.11 C ATOM 1350 O GLU A 88 -0.397 0.657 -11.205 1.00 0.14 O ATOM 1351 CB GLU A 88 0.954 -1.692 -9.503 1.00 0.21 C ATOM 1352 CG GLU A 88 2.196 -0.877 -9.080 1.00 0.58 C ATOM 1353 CD GLU A 88 2.604 0.104 -10.189 1.00 1.13 C ATOM 1354 OE1 GLU A 88 2.081 -0.015 -11.285 1.00 1.87 O ATOM 1355 OE2 GLU A 88 3.434 0.959 -9.924 1.00 1.93 O ATOM 0 H GLU A 88 -1.776 -1.179 -10.906 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.558 -0.725 -8.306 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.879 -2.589 -8.888 1.00 0.21 H new ATOM 0 HB3 GLU A 88 1.068 -2.022 -10.536 1.00 0.21 H new ATOM 0 HG2 GLU A 88 1.982 -0.328 -8.163 1.00 0.58 H new ATOM 0 HG3 GLU A 88 3.023 -1.552 -8.862 1.00 0.58 H new ATOM 1362 N PHE A 89 0.328 1.454 -9.292 1.00 0.10 N ATOM 1363 CA PHE A 89 0.585 2.783 -9.912 1.00 0.09 C ATOM 1364 C PHE A 89 1.510 3.606 -8.999 1.00 0.10 C ATOM 1365 O PHE A 89 1.663 3.313 -7.827 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.736 3.530 -10.156 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.329 4.047 -8.864 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.814 5.217 -8.297 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.397 3.382 -8.248 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.367 5.731 -7.117 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -2.946 3.893 -7.064 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.432 5.067 -6.498 1.00 0.14 C ATOM 0 H PHE A 89 0.547 1.382 -8.299 1.00 0.10 H new ATOM 0 HA PHE A 89 1.073 2.638 -10.876 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.563 4.363 -10.837 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.448 2.863 -10.643 1.00 0.11 H new ATOM 0 HD1 PHE A 89 0.013 5.726 -8.770 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.796 2.478 -8.684 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -0.972 6.639 -6.685 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.768 3.380 -6.586 1.00 0.13 H new ATOM 0 HZ PHE A 89 -2.857 5.459 -5.586 1.00 0.14 H new ATOM 1382 N SER A 90 2.140 4.620 -9.546 1.00 0.10 N ATOM 1383 CA SER A 90 3.080 5.478 -8.752 1.00 0.10 C ATOM 1384 C SER A 90 2.670 6.936 -8.874 1.00 0.09 C ATOM 1385 O SER A 90 1.968 7.321 -9.786 1.00 0.11 O ATOM 1386 CB SER A 90 4.502 5.340 -9.297 1.00 0.11 C ATOM 1387 OG SER A 90 4.515 5.742 -10.659 1.00 0.12 O ATOM 0 H SER A 90 2.041 4.894 -10.524 1.00 0.10 H new ATOM 0 HA SER A 90 3.044 5.158 -7.711 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.189 5.955 -8.716 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.842 4.308 -9.205 1.00 0.11 H new ATOM 0 HG SER A 90 5.424 5.658 -11.016 1.00 0.12 H new ATOM 1393 N GLY A 91 3.113 7.746 -7.953 1.00 0.09 N ATOM 1394 CA GLY A 91 2.773 9.197 -7.983 1.00 0.09 C ATOM 1395 C GLY A 91 2.089 9.572 -6.673 1.00 0.10 C ATOM 1396 O GLY A 91 1.319 8.811 -6.124 1.00 0.12 O ATOM 0 H GLY A 91 3.703 7.461 -7.171 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.675 9.793 -8.121 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.117 9.413 -8.826 1.00 0.09 H new ATOM 1400 N ALA A 92 2.370 10.735 -6.159 1.00 0.11 N ATOM 1401 CA ALA A 92 1.741 11.147 -4.878 1.00 0.14 C ATOM 1402 C ALA A 92 0.307 11.631 -5.131 1.00 0.13 C ATOM 1403 O ALA A 92 -0.006 12.785 -4.919 1.00 0.17 O ATOM 1404 CB ALA A 92 2.568 12.288 -4.276 1.00 0.18 C ATOM 0 H ALA A 92 3.007 11.417 -6.571 1.00 0.11 H new ATOM 0 HA ALA A 92 1.710 10.301 -4.192 1.00 0.14 H new ATOM 0 HB1 ALA A 92 2.120 12.604 -3.334 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.587 11.944 -4.097 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.586 13.129 -4.969 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.577 10.746 -5.554 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.004 11.150 -5.791 1.00 0.14 C ATOM 1412 C ASN A 93 -2.920 10.329 -4.881 1.00 0.13 C ATOM 1413 O ASN A 93 -3.244 9.193 -5.165 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.390 10.896 -7.243 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.773 11.505 -7.486 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.775 10.946 -7.107 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -3.863 12.648 -8.091 1.00 0.75 N ATOM 0 H ASN A 93 -0.369 9.766 -5.744 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.111 12.212 -5.572 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.656 11.341 -7.915 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.404 9.826 -7.451 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -4.777 13.073 -8.246 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -3.019 13.123 -8.412 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.343 10.901 -3.792 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.236 10.173 -2.846 1.00 0.15 C ATOM 1426 C LYS A 94 -5.632 9.931 -3.453 1.00 0.15 C ATOM 1427 O LYS A 94 -6.262 8.931 -3.180 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.382 11.015 -1.577 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.774 12.476 -1.930 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.582 13.434 -1.750 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.103 14.873 -1.739 1.00 0.59 C ATOM 1432 NZ LYS A 94 -2.961 15.827 -1.632 1.00 1.06 N ATOM 0 H LYS A 94 -3.107 11.853 -3.512 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.793 9.202 -2.627 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -5.140 10.576 -0.929 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.445 11.009 -1.021 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.127 12.521 -2.960 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.600 12.797 -1.295 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.059 13.215 -0.819 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.864 13.299 -2.559 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.669 15.071 -2.649 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.786 15.015 -0.902 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.323 16.802 -1.625 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.438 15.645 -0.751 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -2.325 15.699 -2.445 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.129 10.825 -4.265 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.483 10.611 -4.855 1.00 0.15 C ATOM 1448 C GLU A 95 -7.442 9.406 -5.795 1.00 0.15 C ATOM 1449 O GLU A 95 -8.432 8.741 -6.022 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.903 11.852 -5.635 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.946 13.056 -4.696 1.00 0.19 C ATOM 1452 CD GLU A 95 -9.088 12.892 -3.692 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -10.176 12.537 -4.114 1.00 1.61 O ATOM 1454 OE2 GLU A 95 -8.854 13.123 -2.516 1.00 1.55 O ATOM 0 H GLU A 95 -5.661 11.687 -4.544 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.202 10.426 -4.057 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.202 12.037 -6.449 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.882 11.696 -6.088 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -6.997 13.151 -4.168 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -8.084 13.972 -5.271 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.300 9.129 -6.352 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.168 7.975 -7.285 1.00 0.15 C ATOM 1463 C LYS A 96 -6.510 6.706 -6.520 1.00 0.14 C ATOM 1464 O LYS A 96 -7.131 5.796 -7.036 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.720 7.915 -7.760 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.545 6.913 -8.912 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.228 7.226 -9.665 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.486 8.259 -10.768 1.00 0.82 C ATOM 1469 NZ LYS A 96 -2.216 8.514 -11.513 1.00 1.45 N ATOM 0 H LYS A 96 -5.441 9.658 -6.200 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.834 8.079 -8.142 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.402 8.905 -8.086 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.075 7.631 -6.929 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.523 5.895 -8.524 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.392 6.975 -9.595 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.482 7.606 -8.967 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.822 6.312 -10.099 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -4.254 7.895 -11.450 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -3.859 9.187 -10.333 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -2.388 9.215 -12.262 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -1.496 8.878 -10.857 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -1.879 7.627 -11.939 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.109 6.649 -5.282 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.403 5.452 -4.455 1.00 0.13 C ATOM 1485 C LEU A 97 -7.908 5.261 -4.402 1.00 0.14 C ATOM 1486 O LEU A 97 -8.419 4.162 -4.440 1.00 0.15 O ATOM 1487 CB LEU A 97 -5.917 5.692 -3.018 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.397 5.564 -2.927 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -3.933 6.078 -1.558 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -3.978 4.089 -3.108 1.00 0.19 C ATOM 0 H LEU A 97 -5.587 7.385 -4.807 1.00 0.13 H new ATOM 0 HA LEU A 97 -5.907 4.582 -4.885 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.223 6.685 -2.688 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.387 4.974 -2.346 1.00 0.13 H new ATOM 0 HG LEU A 97 -3.933 6.156 -3.716 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.849 5.990 -1.485 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.221 7.123 -1.445 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.399 5.486 -0.770 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.893 4.008 -3.042 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.436 3.482 -2.327 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.309 3.734 -4.084 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.610 6.337 -4.293 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.092 6.257 -4.195 1.00 0.15 C ATOM 1504 C GLU A 98 -10.690 5.620 -5.448 1.00 0.16 C ATOM 1505 O GLU A 98 -11.598 4.819 -5.368 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.649 7.674 -4.015 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.170 7.632 -3.827 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.874 7.416 -5.173 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.293 7.760 -6.188 1.00 2.00 O ATOM 1510 OE2 GLU A 98 -13.988 6.918 -5.160 1.00 2.10 O ATOM 0 H GLU A 98 -8.225 7.281 -4.267 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.360 5.634 -3.342 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.183 8.148 -3.151 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.401 8.282 -4.885 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.435 6.829 -3.139 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.512 8.564 -3.377 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.222 5.990 -6.601 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.811 5.422 -7.849 1.00 0.17 C ATOM 1519 C ALA A 99 -10.474 3.937 -8.021 1.00 0.16 C ATOM 1520 O ALA A 99 -11.319 3.145 -8.388 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.290 6.202 -9.055 1.00 0.19 C ATOM 0 H ALA A 99 -9.462 6.656 -6.739 1.00 0.16 H new ATOM 0 HA ALA A 99 -11.895 5.510 -7.775 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.719 5.789 -9.968 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.575 7.250 -8.962 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.204 6.124 -9.097 1.00 0.19 H new ATOM 1527 N THR A 100 -9.253 3.548 -7.784 1.00 0.16 N ATOM 1528 CA THR A 100 -8.886 2.115 -7.972 1.00 0.16 C ATOM 1529 C THR A 100 -9.646 1.238 -6.968 1.00 0.15 C ATOM 1530 O THR A 100 -10.100 0.158 -7.294 1.00 0.15 O ATOM 1531 CB THR A 100 -7.378 1.936 -7.784 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.689 2.894 -8.576 1.00 0.19 O ATOM 1533 CG2 THR A 100 -6.980 0.532 -8.232 1.00 0.20 C ATOM 0 H THR A 100 -8.496 4.155 -7.470 1.00 0.16 H new ATOM 0 HA THR A 100 -9.159 1.810 -8.982 1.00 0.16 H new ATOM 0 HB THR A 100 -7.119 2.075 -6.734 1.00 0.17 H new ATOM 0 HG1 THR A 100 -5.723 2.783 -8.456 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.906 0.399 -8.100 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.513 -0.206 -7.633 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.236 0.399 -9.283 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.799 1.695 -5.756 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.541 0.883 -4.739 1.00 0.13 C ATOM 1543 C ILE A 101 -11.970 0.697 -5.224 1.00 0.14 C ATOM 1544 O ILE A 101 -12.496 -0.393 -5.251 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.558 1.637 -3.397 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.153 1.632 -2.771 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.546 0.968 -2.433 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -9.043 2.766 -1.746 1.00 0.16 C ATOM 0 H ILE A 101 -9.445 2.592 -5.422 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.057 -0.084 -4.605 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.869 2.666 -3.578 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.962 0.673 -2.289 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.398 1.755 -3.547 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.552 1.507 -1.486 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.546 0.985 -2.867 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.243 -0.065 -2.260 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -8.047 2.761 -1.303 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.215 3.722 -2.241 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.788 2.623 -0.964 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.594 1.767 -5.609 1.00 0.17 N ATOM 1561 CA ASN A 102 -13.983 1.689 -6.109 1.00 0.20 C ATOM 1562 C ASN A 102 -14.005 0.797 -7.347 1.00 0.19 C ATOM 1563 O ASN A 102 -14.945 0.075 -7.600 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.462 3.097 -6.458 1.00 0.25 C ATOM 1565 CG ASN A 102 -15.933 3.052 -6.858 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.290 2.441 -7.845 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.805 3.686 -6.126 1.00 0.55 N ATOM 0 H ASN A 102 -12.193 2.705 -5.598 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.644 1.268 -5.351 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.327 3.760 -5.604 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.865 3.503 -7.274 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.792 3.671 -6.381 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.500 4.198 -5.298 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.971 0.870 -8.129 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.906 0.057 -9.368 1.00 0.18 C ATOM 1576 C GLU A 103 -12.777 -1.431 -9.018 1.00 0.16 C ATOM 1577 O GLU A 103 -13.349 -2.281 -9.670 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.677 0.505 -10.166 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.718 -0.083 -11.584 1.00 0.21 C ATOM 1580 CD GLU A 103 -11.402 -1.580 -11.542 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -10.256 -1.916 -11.287 1.00 2.21 O ATOM 1582 OE2 GLU A 103 -12.304 -2.363 -11.777 1.00 2.04 O ATOM 0 H GLU A 103 -12.159 1.465 -7.961 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.815 0.197 -9.953 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.645 1.593 -10.217 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.768 0.183 -9.658 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -12.702 0.077 -12.024 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -10.997 0.431 -12.220 1.00 0.21 H new ATOM 1589 N LEU A 104 -12.012 -1.758 -8.006 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.826 -3.195 -7.631 1.00 0.14 C ATOM 1591 C LEU A 104 -12.737 -3.595 -6.453 1.00 0.13 C ATOM 1592 O LEU A 104 -12.788 -4.750 -6.082 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.368 -3.413 -7.212 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.406 -3.113 -8.372 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -7.975 -3.159 -7.835 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.559 -4.166 -9.487 1.00 0.25 C ATOM 0 H LEU A 104 -11.507 -1.091 -7.422 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.085 -3.808 -8.494 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.131 -2.771 -6.364 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.232 -4.442 -6.880 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.634 -2.131 -8.786 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.276 -2.948 -8.644 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.857 -2.412 -7.050 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.771 -4.149 -7.428 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -8.870 -3.938 -10.300 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.333 -5.155 -9.087 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.582 -4.152 -9.863 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.439 -2.670 -5.844 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.309 -3.058 -4.684 1.00 0.15 C ATOM 1610 C VAL A 105 -15.419 -3.995 -5.164 1.00 0.16 C ATOM 1611 O VAL A 105 -16.068 -3.659 -6.140 1.00 1.08 O ATOM 1612 CB VAL A 105 -14.948 -1.817 -4.033 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.069 -1.262 -4.927 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.526 -2.212 -2.668 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.602 -5.030 -4.544 1.00 1.08 O ATOM 0 H VAL A 105 -13.450 -1.681 -6.092 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.685 -3.561 -3.945 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.189 -1.045 -3.907 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.511 -0.385 -4.454 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.656 -0.982 -5.896 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.835 -2.025 -5.065 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -15.981 -1.339 -2.199 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.281 -2.986 -2.803 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.727 -2.591 -2.031 1.00 0.19 H new ATOM 1683 N LYS B 63 6.996 15.006 -5.934 1.00 0.19 N ATOM 1684 CA LYS B 63 5.846 14.062 -5.934 1.00 0.14 C ATOM 1685 C LYS B 63 6.386 12.626 -5.890 1.00 0.12 C ATOM 1686 O LYS B 63 5.673 11.698 -5.556 1.00 0.12 O ATOM 1687 CB LYS B 63 5.023 14.255 -7.214 1.00 0.17 C ATOM 1688 CG LYS B 63 4.484 15.694 -7.309 1.00 0.20 C ATOM 1689 CD LYS B 63 3.575 16.031 -6.115 1.00 0.40 C ATOM 1690 CE LYS B 63 2.749 17.280 -6.446 1.00 0.35 C ATOM 1691 NZ LYS B 63 2.074 17.784 -5.212 1.00 1.31 N ATOM 0 HA LYS B 63 5.213 14.251 -5.067 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.641 14.036 -8.085 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.192 13.550 -7.227 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.318 16.395 -7.343 1.00 0.20 H new ATOM 0 HG3 LYS B 63 3.927 15.815 -8.238 1.00 0.20 H new ATOM 0 HD2 LYS B 63 2.915 15.191 -5.897 1.00 0.40 H new ATOM 0 HD3 LYS B 63 4.176 16.204 -5.222 1.00 0.40 H new ATOM 0 HE2 LYS B 63 3.395 18.054 -6.860 1.00 0.35 H new ATOM 0 HE3 LYS B 63 2.006 17.044 -7.207 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 1.516 18.631 -5.443 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 1.445 17.047 -4.835 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 2.791 18.026 -4.498 1.00 1.31 H new ATOM 1705 N ILE B 64 7.636 12.443 -6.254 1.00 0.11 N ATOM 1706 CA ILE B 64 8.264 11.071 -6.250 1.00 0.11 C ATOM 1707 C ILE B 64 9.611 11.122 -5.503 1.00 0.10 C ATOM 1708 O ILE B 64 10.370 12.055 -5.666 1.00 0.11 O ATOM 1709 CB ILE B 64 8.521 10.630 -7.702 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.185 10.388 -8.428 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.358 9.346 -7.729 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.362 9.295 -7.723 1.00 0.15 C ATOM 0 H ILE B 64 8.258 13.192 -6.558 1.00 0.11 H new ATOM 0 HA ILE B 64 7.594 10.368 -5.755 1.00 0.11 H new ATOM 0 HB ILE B 64 9.068 11.423 -8.211 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.612 11.315 -8.461 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.376 10.095 -9.460 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.532 9.046 -8.763 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.314 9.525 -7.238 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.824 8.553 -7.206 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.424 9.145 -8.257 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.927 8.363 -7.713 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.151 9.602 -6.699 1.00 0.15 H new ATOM 1724 N CYS B 65 9.936 10.119 -4.714 1.00 0.09 N ATOM 1725 CA CYS B 65 11.265 10.114 -4.010 1.00 0.10 C ATOM 1726 C CYS B 65 12.196 9.196 -4.825 1.00 0.10 C ATOM 1727 O CYS B 65 11.826 8.095 -5.177 1.00 0.11 O ATOM 1728 CB CYS B 65 11.146 9.567 -2.567 1.00 0.10 C ATOM 1729 SG CYS B 65 9.627 10.155 -1.763 1.00 0.19 S ATOM 0 H CYS B 65 9.344 9.310 -4.528 1.00 0.09 H new ATOM 0 HA CYS B 65 11.648 11.132 -3.940 1.00 0.10 H new ATOM 0 HB2 CYS B 65 11.151 8.477 -2.587 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.013 9.879 -1.985 1.00 0.10 H new ATOM 1734 N SER B 66 13.377 9.639 -5.164 1.00 0.12 N ATOM 1735 CA SER B 66 14.288 8.779 -5.989 1.00 0.14 C ATOM 1736 C SER B 66 15.031 7.746 -5.113 1.00 0.14 C ATOM 1737 O SER B 66 15.509 8.053 -4.041 1.00 0.15 O ATOM 1738 CB SER B 66 15.302 9.681 -6.698 1.00 0.18 C ATOM 1739 OG SER B 66 14.608 10.567 -7.567 1.00 0.20 O ATOM 0 H SER B 66 13.753 10.553 -4.910 1.00 0.12 H new ATOM 0 HA SER B 66 13.691 8.229 -6.717 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.878 10.247 -5.966 1.00 0.18 H new ATOM 0 HB3 SER B 66 16.011 9.077 -7.264 1.00 0.18 H new ATOM 0 HG SER B 66 15.251 11.149 -8.023 1.00 0.20 H new ATOM 1745 N TRP B 67 15.152 6.525 -5.585 1.00 0.15 N ATOM 1746 CA TRP B 67 15.881 5.469 -4.810 1.00 0.16 C ATOM 1747 C TRP B 67 17.379 5.755 -4.841 1.00 0.19 C ATOM 1748 O TRP B 67 18.158 5.141 -4.139 1.00 0.21 O ATOM 1749 CB TRP B 67 15.605 4.086 -5.411 1.00 0.16 C ATOM 1750 CG TRP B 67 14.194 3.706 -5.124 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.113 4.429 -5.466 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.698 2.531 -4.429 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.980 3.767 -5.039 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.294 2.593 -4.388 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.327 1.426 -3.838 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.540 1.598 -3.779 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.573 0.419 -3.228 1.00 0.17 C ATOM 1758 CH2 TRP B 67 12.182 0.504 -3.197 1.00 0.16 C ATOM 0 H TRP B 67 14.774 6.214 -6.480 1.00 0.15 H new ATOM 0 HA TRP B 67 15.530 5.480 -3.778 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.779 4.101 -6.487 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.287 3.349 -4.988 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.129 5.374 -5.989 1.00 0.13 H new ATOM 0 HE1 TRP B 67 11.029 4.104 -5.187 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.404 1.352 -3.854 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.463 1.671 -3.756 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 14.070 -0.428 -2.779 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.602 -0.275 -2.724 1.00 0.16 H new ATOM 1769 N ASN B 68 17.787 6.689 -5.653 1.00 0.23 N ATOM 1770 CA ASN B 68 19.235 7.021 -5.738 1.00 0.27 C ATOM 1771 C ASN B 68 19.769 7.307 -4.338 1.00 0.26 C ATOM 1772 O ASN B 68 20.962 7.373 -4.118 1.00 0.30 O ATOM 1773 CB ASN B 68 19.418 8.257 -6.624 1.00 0.34 C ATOM 1774 CG ASN B 68 19.121 7.876 -8.076 1.00 0.40 C ATOM 1775 OD1 ASN B 68 18.639 6.691 -8.335 1.00 0.49 O flip ATOM 1776 ND2 ASN B 68 19.331 8.659 -8.979 1.00 0.40 N flip ATOM 0 H ASN B 68 17.179 7.237 -6.262 1.00 0.23 H new ATOM 0 HA ASN B 68 19.782 6.183 -6.169 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.750 9.055 -6.300 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.436 8.637 -6.535 1.00 0.34 H new ATOM 0 HD21 ASN B 68 19.708 9.585 -8.774 1.00 0.40 H new ATOM 0 HD22 ASN B 68 19.131 8.392 -9.943 1.00 0.40 H new