USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 555 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 11 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.18) USER MOD Single : A 14 LYS NZ :NH3+ -177:sc= 0.648 (180deg=0.604) USER MOD Single : A 15 THR OG1 : rot 70:sc= 1.28 USER MOD Single : A 17 LYS NZ :NH3+ -146:sc= 0.138 (180deg=-1.15) USER MOD Single : A 18 GLN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 173:sc=-0.00264 (180deg=-0.0876) USER MOD Single : A 34 MET CE :methyl 178:sc= -1.64 (180deg=-1.71) USER MOD Single : A 36 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0343) USER MOD Single : A 38 TYR OH : rot 48:sc= 0.997 USER MOD Single : A 40 ASN : amide:sc= 0.0473 X(o=0.047,f=-0.19) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.254 USER MOD Single : A 46 THR OG1 : rot -152:sc= 0.782 USER MOD Single : A 48 SER OG : rot -28:sc= 1.12 USER MOD Single : A 54 ASN : amide:sc= 1.4 K(o=1.4,f=-7!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0796 USER MOD Single : A 58 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0462) USER MOD Single : A 59 ASN : amide:sc= -0.419 X(o=-0.42,f=-0.023) USER MOD Single : A 60 MET CE :methyl -159:sc= -0.573 (180deg=-1.38) USER MOD Single : A 61 CYS SG : rot -31:sc= 0.171 USER MOD Single : A 62 LYS NZ :NH3+ 170:sc=-0.00956 (180deg=-0.116) USER MOD Single : A 64 LYS NZ :NH3+ -168:sc= 0.213 (180deg=0.0592) USER MOD Single : A 69 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0168) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N LEU A 6 3.104 4.523 -2.072 1.00 0.00 N ATOM 16 CA LEU A 6 4.026 5.233 -1.194 1.00 0.00 C ATOM 17 C LEU A 6 4.941 4.284 -0.423 1.00 0.00 C ATOM 18 O LEU A 6 6.146 4.520 -0.373 1.00 0.00 O ATOM 19 CB LEU A 6 3.253 6.151 -0.237 1.00 0.00 C ATOM 20 CG LEU A 6 2.874 7.492 -0.887 1.00 0.00 C ATOM 21 CD1 LEU A 6 1.842 7.362 -2.014 1.00 0.00 C ATOM 22 CD2 LEU A 6 2.329 8.441 0.187 1.00 0.00 C ATOM 0 HA LEU A 6 4.670 5.845 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.348 5.644 0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.858 6.339 0.650 1.00 0.00 H new ATOM 0 HG LEU A 6 3.784 7.886 -1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.625 8.348 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.241 6.722 -2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.926 6.923 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.060 9.393 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.447 7.998 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.093 8.607 0.947 1.00 0.00 H new ATOM 34 N GLU A 7 4.376 3.211 0.143 1.00 0.00 N ATOM 35 CA GLU A 7 5.101 2.138 0.820 1.00 0.00 C ATOM 36 C GLU A 7 6.427 1.825 0.115 1.00 0.00 C ATOM 37 O GLU A 7 7.488 1.810 0.742 1.00 0.00 O ATOM 38 CB GLU A 7 4.204 0.893 0.889 1.00 0.00 C ATOM 39 CG GLU A 7 4.834 -0.220 1.738 1.00 0.00 C ATOM 40 CD GLU A 7 3.947 -1.461 1.779 1.00 0.00 C ATOM 41 OE1 GLU A 7 2.809 -1.329 2.280 1.00 0.00 O ATOM 42 OE2 GLU A 7 4.421 -2.515 1.303 1.00 0.00 O ATOM 0 H GLU A 7 3.367 3.064 0.140 1.00 0.00 H new ATOM 0 HA GLU A 7 5.349 2.461 1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.236 1.166 1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.021 0.521 -0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.810 -0.482 1.330 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.000 0.144 2.752 1.00 0.00 H new ATOM 49 N GLU A 8 6.356 1.595 -1.199 1.00 0.00 N ATOM 50 CA GLU A 8 7.503 1.257 -2.023 1.00 0.00 C ATOM 51 C GLU A 8 8.567 2.346 -1.911 1.00 0.00 C ATOM 52 O GLU A 8 9.732 2.040 -1.695 1.00 0.00 O ATOM 53 CB GLU A 8 7.069 1.065 -3.481 1.00 0.00 C ATOM 54 CG GLU A 8 6.036 -0.058 -3.644 1.00 0.00 C ATOM 55 CD GLU A 8 5.571 -0.165 -5.093 1.00 0.00 C ATOM 56 OE1 GLU A 8 6.443 -0.424 -5.950 1.00 0.00 O ATOM 57 OE2 GLU A 8 4.354 0.020 -5.317 1.00 0.00 O ATOM 0 H GLU A 8 5.481 1.641 -1.722 1.00 0.00 H new ATOM 0 HA GLU A 8 7.932 0.320 -1.669 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.649 1.998 -3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.944 0.840 -4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.471 -1.006 -3.327 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.180 0.133 -2.997 1.00 0.00 H new ATOM 64 N LEU A 9 8.175 3.613 -2.060 1.00 0.00 N ATOM 65 CA LEU A 9 9.059 4.760 -1.978 1.00 0.00 C ATOM 66 C LEU A 9 9.714 4.823 -0.597 1.00 0.00 C ATOM 67 O LEU A 9 10.933 4.974 -0.519 1.00 0.00 O ATOM 68 CB LEU A 9 8.282 6.049 -2.307 1.00 0.00 C ATOM 69 CG LEU A 9 7.819 6.168 -3.773 1.00 0.00 C ATOM 70 CD1 LEU A 9 6.897 5.052 -4.280 1.00 0.00 C ATOM 71 CD2 LEU A 9 7.081 7.499 -3.956 1.00 0.00 C ATOM 0 H LEU A 9 7.205 3.868 -2.246 1.00 0.00 H new ATOM 0 HA LEU A 9 9.857 4.659 -2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.408 6.105 -1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.911 6.907 -2.068 1.00 0.00 H new ATOM 0 HG LEU A 9 8.735 6.094 -4.359 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.636 5.240 -5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.409 4.093 -4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.989 5.028 -3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.750 7.592 -4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.216 7.529 -3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.752 8.323 -3.714 1.00 0.00 H new ATOM 83 N GLU A 10 8.933 4.694 0.485 1.00 0.00 N ATOM 84 CA GLU A 10 9.487 4.775 1.839 1.00 0.00 C ATOM 85 C GLU A 10 10.547 3.697 2.031 1.00 0.00 C ATOM 86 O GLU A 10 11.705 3.976 2.352 1.00 0.00 O ATOM 87 CB GLU A 10 8.429 4.649 2.954 1.00 0.00 C ATOM 88 CG GLU A 10 7.025 5.044 2.515 1.00 0.00 C ATOM 89 CD GLU A 10 6.068 5.204 3.692 1.00 0.00 C ATOM 90 OE1 GLU A 10 6.315 6.124 4.500 1.00 0.00 O ATOM 91 OE2 GLU A 10 5.107 4.407 3.756 1.00 0.00 O ATOM 0 H GLU A 10 7.926 4.535 0.448 1.00 0.00 H new ATOM 0 HA GLU A 10 9.922 5.771 1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.412 3.619 3.311 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.726 5.274 3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.072 5.980 1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.635 4.288 1.834 1.00 0.00 H new ATOM 98 N GLN A 11 10.111 2.450 1.836 1.00 0.00 N ATOM 99 CA GLN A 11 10.972 1.293 2.018 1.00 0.00 C ATOM 100 C GLN A 11 12.209 1.433 1.132 1.00 0.00 C ATOM 101 O GLN A 11 13.334 1.331 1.617 1.00 0.00 O ATOM 102 CB GLN A 11 10.201 -0.001 1.721 1.00 0.00 C ATOM 103 CG GLN A 11 9.081 -0.263 2.740 1.00 0.00 C ATOM 104 CD GLN A 11 9.610 -0.415 4.162 1.00 0.00 C ATOM 105 OE1 GLN A 11 9.343 0.416 5.023 1.00 0.00 O ATOM 106 NE2 GLN A 11 10.377 -1.469 4.420 1.00 0.00 N ATOM 0 H GLN A 11 9.159 2.222 1.550 1.00 0.00 H new ATOM 0 HA GLN A 11 11.301 1.241 3.056 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.772 0.056 0.721 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.894 -0.842 1.723 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.365 0.558 2.708 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.541 -1.167 2.458 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.582 -2.144 3.683 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.761 -1.603 5.355 1.00 0.00 H new ATOM 115 N PHE A 12 11.999 1.698 -0.158 1.00 0.00 N ATOM 116 CA PHE A 12 13.072 1.897 -1.117 1.00 0.00 C ATOM 117 C PHE A 12 14.069 2.934 -0.608 1.00 0.00 C ATOM 118 O PHE A 12 15.257 2.642 -0.556 1.00 0.00 O ATOM 119 CB PHE A 12 12.519 2.283 -2.491 1.00 0.00 C ATOM 120 CG PHE A 12 13.605 2.648 -3.480 1.00 0.00 C ATOM 121 CD1 PHE A 12 14.363 1.641 -4.109 1.00 0.00 C ATOM 122 CD2 PHE A 12 13.984 3.994 -3.612 1.00 0.00 C ATOM 123 CE1 PHE A 12 15.481 1.985 -4.888 1.00 0.00 C ATOM 124 CE2 PHE A 12 15.110 4.334 -4.379 1.00 0.00 C ATOM 125 CZ PHE A 12 15.858 3.332 -5.018 1.00 0.00 C ATOM 0 H PHE A 12 11.067 1.780 -0.565 1.00 0.00 H new ATOM 0 HA PHE A 12 13.603 0.952 -1.231 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.936 1.453 -2.889 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.838 3.126 -2.379 1.00 0.00 H new ATOM 0 HD1 PHE A 12 14.085 0.604 -3.993 1.00 0.00 H new ATOM 0 HD2 PHE A 12 13.410 4.767 -3.124 1.00 0.00 H new ATOM 0 HE1 PHE A 12 16.050 1.214 -5.386 1.00 0.00 H new ATOM 0 HE2 PHE A 12 15.402 5.369 -4.478 1.00 0.00 H new ATOM 0 HZ PHE A 12 16.722 3.597 -5.609 1.00 0.00 H new ATOM 135 N ALA A 13 13.618 4.129 -0.215 1.00 0.00 N ATOM 136 CA ALA A 13 14.515 5.179 0.258 1.00 0.00 C ATOM 137 C ALA A 13 15.427 4.652 1.369 1.00 0.00 C ATOM 138 O ALA A 13 16.654 4.710 1.267 1.00 0.00 O ATOM 139 CB ALA A 13 13.705 6.385 0.734 1.00 0.00 C ATOM 0 H ALA A 13 12.632 4.391 -0.217 1.00 0.00 H new ATOM 0 HA ALA A 13 15.151 5.497 -0.568 1.00 0.00 H new ATOM 0 HB1 ALA A 13 14.383 7.163 1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.107 6.770 -0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.047 6.083 1.549 1.00 0.00 H new ATOM 145 N LYS A 14 14.827 4.067 2.408 1.00 0.00 N ATOM 146 CA LYS A 14 15.586 3.514 3.523 1.00 0.00 C ATOM 147 C LYS A 14 16.426 2.289 3.127 1.00 0.00 C ATOM 148 O LYS A 14 17.295 1.871 3.893 1.00 0.00 O ATOM 149 CB LYS A 14 14.644 3.198 4.689 1.00 0.00 C ATOM 150 CG LYS A 14 13.922 4.465 5.169 1.00 0.00 C ATOM 151 CD LYS A 14 13.230 4.200 6.512 1.00 0.00 C ATOM 152 CE LYS A 14 12.351 5.382 6.936 1.00 0.00 C ATOM 153 NZ LYS A 14 13.117 6.637 7.065 1.00 0.00 N ATOM 0 H LYS A 14 13.816 3.966 2.497 1.00 0.00 H new ATOM 0 HA LYS A 14 16.302 4.272 3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.912 2.453 4.378 1.00 0.00 H new ATOM 0 HB3 LYS A 14 15.211 2.764 5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.636 5.282 5.274 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.187 4.777 4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.619 3.300 6.436 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.982 4.011 7.278 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.555 5.519 6.204 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.873 5.152 7.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.489 7.394 7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.893 6.502 7.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.510 6.900 6.139 1.00 0.00 H new ATOM 167 N THR A 15 16.194 1.716 1.944 1.00 0.00 N ATOM 168 CA THR A 15 16.976 0.609 1.403 1.00 0.00 C ATOM 169 C THR A 15 18.137 1.159 0.579 1.00 0.00 C ATOM 170 O THR A 15 19.241 0.627 0.650 1.00 0.00 O ATOM 171 CB THR A 15 16.086 -0.349 0.601 1.00 0.00 C ATOM 172 OG1 THR A 15 15.028 -0.792 1.422 1.00 0.00 O ATOM 173 CG2 THR A 15 16.853 -1.586 0.123 1.00 0.00 C ATOM 0 H THR A 15 15.441 2.017 1.325 1.00 0.00 H new ATOM 0 HA THR A 15 17.396 0.024 2.221 1.00 0.00 H new ATOM 0 HB THR A 15 15.723 0.197 -0.270 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.410 -0.050 1.588 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.182 -2.235 -0.440 1.00 0.00 H new ATOM 0 HG22 THR A 15 17.680 -1.277 -0.516 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.243 -2.128 0.985 1.00 0.00 H new ATOM 181 N PHE A 16 17.916 2.244 -0.168 1.00 0.00 N ATOM 182 CA PHE A 16 18.955 2.952 -0.892 1.00 0.00 C ATOM 183 C PHE A 16 20.085 3.300 0.078 1.00 0.00 C ATOM 184 O PHE A 16 21.248 3.039 -0.215 1.00 0.00 O ATOM 185 CB PHE A 16 18.364 4.168 -1.626 1.00 0.00 C ATOM 186 CG PHE A 16 19.395 4.949 -2.413 1.00 0.00 C ATOM 187 CD1 PHE A 16 20.161 5.954 -1.792 1.00 0.00 C ATOM 188 CD2 PHE A 16 19.622 4.634 -3.762 1.00 0.00 C ATOM 189 CE1 PHE A 16 21.157 6.633 -2.518 1.00 0.00 C ATOM 190 CE2 PHE A 16 20.576 5.353 -4.498 1.00 0.00 C ATOM 191 CZ PHE A 16 21.363 6.332 -3.873 1.00 0.00 C ATOM 0 H PHE A 16 16.990 2.656 -0.283 1.00 0.00 H new ATOM 0 HA PHE A 16 19.384 2.322 -1.671 1.00 0.00 H new ATOM 0 HB2 PHE A 16 17.580 3.830 -2.303 1.00 0.00 H new ATOM 0 HB3 PHE A 16 17.894 4.830 -0.899 1.00 0.00 H new ATOM 0 HD1 PHE A 16 19.984 6.204 -0.756 1.00 0.00 H new ATOM 0 HD2 PHE A 16 19.063 3.839 -4.233 1.00 0.00 H new ATOM 0 HE1 PHE A 16 21.762 7.385 -2.033 1.00 0.00 H new ATOM 0 HE2 PHE A 16 20.705 5.152 -5.551 1.00 0.00 H new ATOM 0 HZ PHE A 16 22.125 6.853 -4.433 1.00 0.00 H new ATOM 201 N LYS A 17 19.732 3.799 1.268 1.00 0.00 N ATOM 202 CA LYS A 17 20.670 3.973 2.373 1.00 0.00 C ATOM 203 C LYS A 17 21.503 2.706 2.612 1.00 0.00 C ATOM 204 O LYS A 17 22.731 2.748 2.621 1.00 0.00 O ATOM 205 CB LYS A 17 19.878 4.326 3.639 1.00 0.00 C ATOM 206 CG LYS A 17 20.784 4.614 4.841 1.00 0.00 C ATOM 207 CD LYS A 17 20.025 5.179 6.052 1.00 0.00 C ATOM 208 CE LYS A 17 19.214 4.140 6.845 1.00 0.00 C ATOM 209 NZ LYS A 17 17.940 3.773 6.198 1.00 0.00 N ATOM 0 H LYS A 17 18.781 4.094 1.489 1.00 0.00 H new ATOM 0 HA LYS A 17 21.363 4.776 2.121 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.255 5.198 3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.206 3.503 3.884 1.00 0.00 H new ATOM 0 HG2 LYS A 17 21.290 3.694 5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 17 21.557 5.322 4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 17 20.741 5.651 6.725 1.00 0.00 H new ATOM 0 HD3 LYS A 17 19.349 5.961 5.707 1.00 0.00 H new ATOM 0 HE2 LYS A 17 19.818 3.242 6.977 1.00 0.00 H new ATOM 0 HE3 LYS A 17 19.007 4.534 7.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 17.223 3.580 6.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 17.618 4.557 5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 18.079 2.923 5.615 1.00 0.00 H new ATOM 223 N GLN A 18 20.833 1.579 2.854 1.00 0.00 N ATOM 224 CA GLN A 18 21.495 0.331 3.197 1.00 0.00 C ATOM 225 C GLN A 18 22.432 -0.105 2.070 1.00 0.00 C ATOM 226 O GLN A 18 23.595 -0.400 2.326 1.00 0.00 O ATOM 227 CB GLN A 18 20.453 -0.741 3.536 1.00 0.00 C ATOM 228 CG GLN A 18 19.749 -0.408 4.858 1.00 0.00 C ATOM 229 CD GLN A 18 18.543 -1.310 5.083 1.00 0.00 C ATOM 230 OE1 GLN A 18 18.688 -2.463 5.473 1.00 0.00 O ATOM 231 NE2 GLN A 18 17.343 -0.797 4.835 1.00 0.00 N ATOM 0 H GLN A 18 19.816 1.511 2.816 1.00 0.00 H new ATOM 0 HA GLN A 18 22.111 0.480 4.084 1.00 0.00 H new ATOM 0 HB2 GLN A 18 19.719 -0.809 2.733 1.00 0.00 H new ATOM 0 HB3 GLN A 18 20.936 -1.715 3.610 1.00 0.00 H new ATOM 0 HG2 GLN A 18 20.450 -0.521 5.685 1.00 0.00 H new ATOM 0 HG3 GLN A 18 19.430 0.634 4.851 1.00 0.00 H new ATOM 0 HE21 GLN A 18 17.257 0.167 4.511 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.507 -1.367 4.968 1.00 0.00 H new ATOM 240 N ARG A 19 21.948 -0.120 0.826 1.00 0.00 N ATOM 241 CA ARG A 19 22.776 -0.446 -0.327 1.00 0.00 C ATOM 242 C ARG A 19 23.989 0.481 -0.384 1.00 0.00 C ATOM 243 O ARG A 19 25.119 0.016 -0.477 1.00 0.00 O ATOM 244 CB ARG A 19 21.976 -0.348 -1.632 1.00 0.00 C ATOM 245 CG ARG A 19 20.813 -1.341 -1.741 1.00 0.00 C ATOM 246 CD ARG A 19 21.265 -2.799 -1.599 1.00 0.00 C ATOM 247 NE ARG A 19 20.238 -3.719 -2.107 1.00 0.00 N ATOM 248 CZ ARG A 19 20.068 -4.041 -3.399 1.00 0.00 C ATOM 249 NH1 ARG A 19 20.863 -3.518 -4.338 1.00 0.00 N ATOM 250 NH2 ARG A 19 19.099 -4.893 -3.746 1.00 0.00 N ATOM 0 H ARG A 19 20.977 0.093 0.595 1.00 0.00 H new ATOM 0 HA ARG A 19 23.117 -1.475 -0.216 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.583 0.664 -1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 19 22.653 -0.507 -2.471 1.00 0.00 H new ATOM 0 HG2 ARG A 19 20.076 -1.117 -0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 19 20.318 -1.210 -2.703 1.00 0.00 H new ATOM 0 HD2 ARG A 19 22.196 -2.950 -2.145 1.00 0.00 H new ATOM 0 HD3 ARG A 19 21.470 -3.020 -0.552 1.00 0.00 H new ATOM 0 HE ARG A 19 19.607 -4.145 -1.427 1.00 0.00 H new ATOM 0 HH11 ARG A 19 21.605 -2.869 -4.075 1.00 0.00 H new ATOM 0 HH12 ARG A 19 20.728 -3.768 -5.318 1.00 0.00 H new ATOM 0 HH21 ARG A 19 18.493 -5.295 -3.031 1.00 0.00 H new ATOM 0 HH22 ARG A 19 18.965 -5.141 -4.726 1.00 0.00 H new ATOM 264 N ARG A 20 23.755 1.792 -0.323 1.00 0.00 N ATOM 265 CA ARG A 20 24.793 2.811 -0.347 1.00 0.00 C ATOM 266 C ARG A 20 25.876 2.509 0.695 1.00 0.00 C ATOM 267 O ARG A 20 27.066 2.486 0.370 1.00 0.00 O ATOM 268 CB ARG A 20 24.120 4.175 -0.139 1.00 0.00 C ATOM 269 CG ARG A 20 25.114 5.332 -0.108 1.00 0.00 C ATOM 270 CD ARG A 20 24.378 6.674 -0.030 1.00 0.00 C ATOM 271 NE ARG A 20 23.572 6.824 1.197 1.00 0.00 N ATOM 272 CZ ARG A 20 24.075 7.121 2.404 1.00 0.00 C ATOM 273 NH1 ARG A 20 25.398 7.178 2.588 1.00 0.00 N ATOM 274 NH2 ARG A 20 23.246 7.369 3.425 1.00 0.00 N ATOM 0 H ARG A 20 22.814 2.180 -0.254 1.00 0.00 H new ATOM 0 HA ARG A 20 25.308 2.821 -1.308 1.00 0.00 H new ATOM 0 HB2 ARG A 20 23.399 4.344 -0.939 1.00 0.00 H new ATOM 0 HB3 ARG A 20 23.560 4.159 0.796 1.00 0.00 H new ATOM 0 HG2 ARG A 20 25.778 5.225 0.750 1.00 0.00 H new ATOM 0 HG3 ARG A 20 25.739 5.305 -1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 20 25.106 7.484 -0.080 1.00 0.00 H new ATOM 0 HD3 ARG A 20 23.728 6.776 -0.899 1.00 0.00 H new ATOM 0 HE ARG A 20 22.563 6.693 1.122 1.00 0.00 H new ATOM 0 HH11 ARG A 20 26.030 6.995 1.808 1.00 0.00 H new ATOM 0 HH12 ARG A 20 25.776 7.404 3.508 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.237 7.332 3.283 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.624 7.595 4.345 1.00 0.00 H new ATOM 288 N ILE A 21 25.463 2.255 1.940 1.00 0.00 N ATOM 289 CA ILE A 21 26.370 1.893 3.020 1.00 0.00 C ATOM 290 C ILE A 21 27.123 0.605 2.671 1.00 0.00 C ATOM 291 O ILE A 21 28.348 0.577 2.750 1.00 0.00 O ATOM 292 CB ILE A 21 25.603 1.806 4.356 1.00 0.00 C ATOM 293 CG1 ILE A 21 25.156 3.220 4.777 1.00 0.00 C ATOM 294 CG2 ILE A 21 26.474 1.183 5.459 1.00 0.00 C ATOM 295 CD1 ILE A 21 24.151 3.204 5.933 1.00 0.00 C ATOM 0 H ILE A 21 24.484 2.296 2.223 1.00 0.00 H new ATOM 0 HA ILE A 21 27.124 2.670 3.144 1.00 0.00 H new ATOM 0 HB ILE A 21 24.732 1.166 4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 21 26.031 3.801 5.070 1.00 0.00 H new ATOM 0 HG13 ILE A 21 24.710 3.725 3.920 1.00 0.00 H new ATOM 0 HG21 ILE A 21 25.906 1.135 6.388 1.00 0.00 H new ATOM 0 HG22 ILE A 21 26.771 0.177 5.163 1.00 0.00 H new ATOM 0 HG23 ILE A 21 27.364 1.795 5.609 1.00 0.00 H new ATOM 0 HD11 ILE A 21 23.872 4.227 6.187 1.00 0.00 H new ATOM 0 HD12 ILE A 21 23.262 2.649 5.634 1.00 0.00 H new ATOM 0 HD13 ILE A 21 24.603 2.725 6.802 1.00 0.00 H new ATOM 307 N LYS A 22 26.419 -0.461 2.278 1.00 0.00 N ATOM 308 CA LYS A 22 27.033 -1.747 1.954 1.00 0.00 C ATOM 309 C LYS A 22 28.066 -1.610 0.828 1.00 0.00 C ATOM 310 O LYS A 22 29.135 -2.212 0.890 1.00 0.00 O ATOM 311 CB LYS A 22 25.950 -2.771 1.588 1.00 0.00 C ATOM 312 CG LYS A 22 25.073 -3.171 2.785 1.00 0.00 C ATOM 313 CD LYS A 22 25.763 -4.209 3.683 1.00 0.00 C ATOM 314 CE LYS A 22 24.921 -4.532 4.923 1.00 0.00 C ATOM 315 NZ LYS A 22 23.616 -5.120 4.571 1.00 0.00 N ATOM 0 H LYS A 22 25.404 -0.454 2.176 1.00 0.00 H new ATOM 0 HA LYS A 22 27.565 -2.102 2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 22 25.317 -2.357 0.803 1.00 0.00 H new ATOM 0 HB3 LYS A 22 26.424 -3.663 1.178 1.00 0.00 H new ATOM 0 HG2 LYS A 22 24.835 -2.284 3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 22 24.128 -3.576 2.423 1.00 0.00 H new ATOM 0 HD2 LYS A 22 25.940 -5.122 3.115 1.00 0.00 H new ATOM 0 HD3 LYS A 22 26.738 -3.832 3.993 1.00 0.00 H new ATOM 0 HE2 LYS A 22 25.469 -5.224 5.562 1.00 0.00 H new ATOM 0 HE3 LYS A 22 24.763 -3.621 5.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 23.131 -5.431 5.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 23.034 -4.408 4.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 23.761 -5.936 3.943 1.00 0.00 H new ATOM 329 N LEU A 23 27.759 -0.806 -0.192 1.00 0.00 N ATOM 330 CA LEU A 23 28.676 -0.497 -1.283 1.00 0.00 C ATOM 331 C LEU A 23 29.865 0.346 -0.796 1.00 0.00 C ATOM 332 O LEU A 23 30.863 0.465 -1.502 1.00 0.00 O ATOM 333 CB LEU A 23 27.916 0.240 -2.399 1.00 0.00 C ATOM 334 CG LEU A 23 26.847 -0.610 -3.108 1.00 0.00 C ATOM 335 CD1 LEU A 23 25.860 0.288 -3.863 1.00 0.00 C ATOM 336 CD2 LEU A 23 27.482 -1.595 -4.097 1.00 0.00 C ATOM 0 H LEU A 23 26.853 -0.346 -0.282 1.00 0.00 H new ATOM 0 HA LEU A 23 29.077 -1.433 -1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 23 27.438 1.123 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.634 0.591 -3.140 1.00 0.00 H new ATOM 0 HG LEU A 23 26.319 -1.173 -2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.111 -0.330 -4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.368 0.960 -3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.398 0.874 -4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 23 26.700 -2.180 -4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 23 28.042 -1.043 -4.852 1.00 0.00 H new ATOM 0 HD23 LEU A 23 28.157 -2.263 -3.562 1.00 0.00 H new ATOM 348 N GLY A 24 29.765 0.956 0.390 1.00 0.00 N ATOM 349 CA GLY A 24 30.750 1.896 0.900 1.00 0.00 C ATOM 350 C GLY A 24 30.749 3.173 0.064 1.00 0.00 C ATOM 351 O GLY A 24 31.778 3.832 -0.074 1.00 0.00 O ATOM 0 H GLY A 24 28.983 0.803 1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 24 30.530 2.135 1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 24 31.740 1.441 0.880 1.00 0.00 H new ATOM 355 N PHE A 25 29.594 3.524 -0.508 1.00 0.00 N ATOM 356 CA PHE A 25 29.483 4.647 -1.423 1.00 0.00 C ATOM 357 C PHE A 25 29.147 5.903 -0.633 1.00 0.00 C ATOM 358 O PHE A 25 28.045 6.069 -0.113 1.00 0.00 O ATOM 359 CB PHE A 25 28.489 4.333 -2.543 1.00 0.00 C ATOM 360 CG PHE A 25 28.982 3.353 -3.604 1.00 0.00 C ATOM 361 CD1 PHE A 25 30.273 2.779 -3.564 1.00 0.00 C ATOM 362 CD2 PHE A 25 28.166 3.107 -4.723 1.00 0.00 C ATOM 363 CE1 PHE A 25 30.707 1.934 -4.599 1.00 0.00 C ATOM 364 CE2 PHE A 25 28.608 2.279 -5.769 1.00 0.00 C ATOM 365 CZ PHE A 25 29.875 1.680 -5.701 1.00 0.00 C ATOM 0 H PHE A 25 28.714 3.034 -0.346 1.00 0.00 H new ATOM 0 HA PHE A 25 30.434 4.830 -1.923 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.580 3.930 -2.096 1.00 0.00 H new ATOM 0 HB3 PHE A 25 28.216 5.267 -3.035 1.00 0.00 H new ATOM 0 HD1 PHE A 25 30.929 2.991 -2.733 1.00 0.00 H new ATOM 0 HD2 PHE A 25 27.187 3.560 -4.779 1.00 0.00 H new ATOM 0 HE1 PHE A 25 31.685 1.478 -4.547 1.00 0.00 H new ATOM 0 HE2 PHE A 25 27.973 2.104 -6.625 1.00 0.00 H new ATOM 0 HZ PHE A 25 30.209 1.026 -6.493 1.00 0.00 H new ATOM 413 N ASP A 29 30.884 9.597 -3.671 1.00 0.00 N ATOM 414 CA ASP A 29 30.698 8.533 -4.653 1.00 0.00 C ATOM 415 C ASP A 29 29.333 8.654 -5.330 1.00 0.00 C ATOM 416 O ASP A 29 29.256 8.736 -6.557 1.00 0.00 O ATOM 417 CB ASP A 29 30.857 7.155 -4.000 1.00 0.00 C ATOM 418 CG ASP A 29 30.729 6.040 -5.035 1.00 0.00 C ATOM 419 OD1 ASP A 29 29.580 5.787 -5.458 1.00 0.00 O ATOM 420 OD2 ASP A 29 31.783 5.471 -5.389 1.00 0.00 O ATOM 0 HA ASP A 29 31.469 8.639 -5.416 1.00 0.00 H new ATOM 0 HB2 ASP A 29 31.828 7.091 -3.510 1.00 0.00 H new ATOM 0 HB3 ASP A 29 30.100 7.026 -3.226 1.00 0.00 H new ATOM 425 N VAL A 30 28.256 8.658 -4.537 1.00 0.00 N ATOM 426 CA VAL A 30 26.913 8.732 -5.096 1.00 0.00 C ATOM 427 C VAL A 30 26.773 10.012 -5.917 1.00 0.00 C ATOM 428 O VAL A 30 26.300 9.952 -7.044 1.00 0.00 O ATOM 429 CB VAL A 30 25.826 8.579 -4.016 1.00 0.00 C ATOM 430 CG1 VAL A 30 24.420 8.737 -4.615 1.00 0.00 C ATOM 431 CG2 VAL A 30 25.905 7.184 -3.382 1.00 0.00 C ATOM 0 H VAL A 30 28.292 8.611 -3.519 1.00 0.00 H new ATOM 0 HA VAL A 30 26.760 7.888 -5.768 1.00 0.00 H new ATOM 0 HB VAL A 30 25.999 9.356 -3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 30 23.674 8.624 -3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 30 24.325 9.725 -5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 30 24.261 7.974 -5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 30 25.132 7.086 -2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 30 25.754 6.426 -4.151 1.00 0.00 H new ATOM 0 HG23 VAL A 30 26.885 7.047 -2.925 1.00 0.00 H new ATOM 441 N GLY A 31 27.212 11.156 -5.389 1.00 0.00 N ATOM 442 CA GLY A 31 27.231 12.417 -6.116 1.00 0.00 C ATOM 443 C GLY A 31 27.884 12.261 -7.490 1.00 0.00 C ATOM 444 O GLY A 31 27.293 12.630 -8.502 1.00 0.00 O ATOM 0 H GLY A 31 27.567 11.229 -4.435 1.00 0.00 H new ATOM 0 HA2 GLY A 31 26.212 12.785 -6.236 1.00 0.00 H new ATOM 0 HA3 GLY A 31 27.773 13.164 -5.537 1.00 0.00 H new ATOM 448 N LEU A 32 29.095 11.704 -7.536 1.00 0.00 N ATOM 449 CA LEU A 32 29.850 11.519 -8.770 1.00 0.00 C ATOM 450 C LEU A 32 29.082 10.634 -9.748 1.00 0.00 C ATOM 451 O LEU A 32 28.859 10.995 -10.902 1.00 0.00 O ATOM 452 CB LEU A 32 31.208 10.893 -8.434 1.00 0.00 C ATOM 453 CG LEU A 32 32.161 10.761 -9.633 1.00 0.00 C ATOM 454 CD1 LEU A 32 32.523 12.121 -10.243 1.00 0.00 C ATOM 455 CD2 LEU A 32 33.443 10.057 -9.170 1.00 0.00 C ATOM 0 H LEU A 32 29.582 11.366 -6.706 1.00 0.00 H new ATOM 0 HA LEU A 32 30.002 12.487 -9.247 1.00 0.00 H new ATOM 0 HB2 LEU A 32 31.692 11.496 -7.666 1.00 0.00 H new ATOM 0 HB3 LEU A 32 31.043 9.904 -8.006 1.00 0.00 H new ATOM 0 HG LEU A 32 31.652 10.182 -10.404 1.00 0.00 H new ATOM 0 HD11 LEU A 32 33.198 11.974 -11.086 1.00 0.00 H new ATOM 0 HD12 LEU A 32 31.616 12.619 -10.587 1.00 0.00 H new ATOM 0 HD13 LEU A 32 33.013 12.739 -9.490 1.00 0.00 H new ATOM 0 HD21 LEU A 32 34.128 9.957 -10.012 1.00 0.00 H new ATOM 0 HD22 LEU A 32 33.917 10.645 -8.384 1.00 0.00 H new ATOM 0 HD23 LEU A 32 33.196 9.068 -8.784 1.00 0.00 H new ATOM 467 N ALA A 33 28.701 9.451 -9.275 1.00 0.00 N ATOM 468 CA ALA A 33 28.019 8.452 -10.086 1.00 0.00 C ATOM 469 C ALA A 33 26.686 8.993 -10.626 1.00 0.00 C ATOM 470 O ALA A 33 26.380 8.857 -11.810 1.00 0.00 O ATOM 471 CB ALA A 33 27.858 7.174 -9.261 1.00 0.00 C ATOM 0 H ALA A 33 28.859 9.158 -8.311 1.00 0.00 H new ATOM 0 HA ALA A 33 28.615 8.213 -10.966 1.00 0.00 H new ATOM 0 HB1 ALA A 33 27.348 6.418 -9.858 1.00 0.00 H new ATOM 0 HB2 ALA A 33 28.840 6.804 -8.968 1.00 0.00 H new ATOM 0 HB3 ALA A 33 27.270 7.389 -8.368 1.00 0.00 H new ATOM 477 N MET A 34 25.895 9.638 -9.764 1.00 0.00 N ATOM 478 CA MET A 34 24.696 10.356 -10.171 1.00 0.00 C ATOM 479 C MET A 34 25.046 11.410 -11.213 1.00 0.00 C ATOM 480 O MET A 34 24.353 11.528 -12.216 1.00 0.00 O ATOM 481 CB MET A 34 24.022 11.018 -8.964 1.00 0.00 C ATOM 482 CG MET A 34 23.301 9.995 -8.076 1.00 0.00 C ATOM 483 SD MET A 34 22.008 8.997 -8.855 1.00 0.00 S ATOM 484 CE MET A 34 20.994 10.266 -9.619 1.00 0.00 C ATOM 0 H MET A 34 26.074 9.674 -8.760 1.00 0.00 H new ATOM 0 HA MET A 34 23.999 9.640 -10.606 1.00 0.00 H new ATOM 0 HB2 MET A 34 24.772 11.545 -8.374 1.00 0.00 H new ATOM 0 HB3 MET A 34 23.307 11.764 -9.312 1.00 0.00 H new ATOM 0 HG2 MET A 34 24.049 9.318 -7.663 1.00 0.00 H new ATOM 0 HG3 MET A 34 22.857 10.529 -7.236 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.176 9.798 -10.167 1.00 0.00 H new ATOM 0 HE2 MET A 34 20.587 10.919 -8.848 1.00 0.00 H new ATOM 0 HE3 MET A 34 21.603 10.853 -10.307 1.00 0.00 H new ATOM 494 N GLY A 35 26.117 12.165 -10.979 1.00 0.00 N ATOM 495 CA GLY A 35 26.735 13.059 -11.949 1.00 0.00 C ATOM 496 C GLY A 35 26.843 12.398 -13.318 1.00 0.00 C ATOM 497 O GLY A 35 26.344 12.930 -14.306 1.00 0.00 O ATOM 0 H GLY A 35 26.593 12.170 -10.077 1.00 0.00 H new ATOM 0 HA2 GLY A 35 26.148 13.974 -12.029 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.727 13.346 -11.602 1.00 0.00 H new ATOM 501 N LYS A 36 27.487 11.232 -13.360 1.00 0.00 N ATOM 502 CA LYS A 36 27.685 10.465 -14.578 1.00 0.00 C ATOM 503 C LYS A 36 26.370 10.211 -15.326 1.00 0.00 C ATOM 504 O LYS A 36 26.313 10.394 -16.540 1.00 0.00 O ATOM 505 CB LYS A 36 28.401 9.147 -14.234 1.00 0.00 C ATOM 506 CG LYS A 36 29.360 8.696 -15.341 1.00 0.00 C ATOM 507 CD LYS A 36 30.652 9.527 -15.303 1.00 0.00 C ATOM 508 CE LYS A 36 31.692 9.005 -16.301 1.00 0.00 C ATOM 509 NZ LYS A 36 31.216 9.107 -17.692 1.00 0.00 N ATOM 0 H LYS A 36 27.890 10.792 -12.533 1.00 0.00 H new ATOM 0 HA LYS A 36 28.308 11.048 -15.256 1.00 0.00 H new ATOM 0 HB2 LYS A 36 28.956 9.270 -13.304 1.00 0.00 H new ATOM 0 HB3 LYS A 36 27.659 8.368 -14.061 1.00 0.00 H new ATOM 0 HG2 LYS A 36 29.596 7.639 -15.218 1.00 0.00 H new ATOM 0 HG3 LYS A 36 28.879 8.804 -16.313 1.00 0.00 H new ATOM 0 HD2 LYS A 36 30.422 10.568 -15.529 1.00 0.00 H new ATOM 0 HD3 LYS A 36 31.070 9.504 -14.297 1.00 0.00 H new ATOM 0 HE2 LYS A 36 32.617 9.571 -16.191 1.00 0.00 H new ATOM 0 HE3 LYS A 36 31.925 7.965 -16.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 31.983 8.840 -18.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 30.407 8.468 -17.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 30.921 10.085 -17.887 1.00 0.00 H new ATOM 523 N LEU A 37 25.334 9.743 -14.620 1.00 0.00 N ATOM 524 CA LEU A 37 24.111 9.258 -15.261 1.00 0.00 C ATOM 525 C LEU A 37 23.046 10.347 -15.474 1.00 0.00 C ATOM 526 O LEU A 37 22.314 10.291 -16.459 1.00 0.00 O ATOM 527 CB LEU A 37 23.534 8.078 -14.466 1.00 0.00 C ATOM 528 CG LEU A 37 24.501 6.901 -14.255 1.00 0.00 C ATOM 529 CD1 LEU A 37 23.728 5.744 -13.613 1.00 0.00 C ATOM 530 CD2 LEU A 37 25.145 6.407 -15.556 1.00 0.00 C ATOM 0 H LEU A 37 25.321 9.691 -13.601 1.00 0.00 H new ATOM 0 HA LEU A 37 24.395 8.927 -16.260 1.00 0.00 H new ATOM 0 HB2 LEU A 37 23.209 8.441 -13.491 1.00 0.00 H new ATOM 0 HB3 LEU A 37 22.646 7.711 -14.982 1.00 0.00 H new ATOM 0 HG LEU A 37 25.308 7.254 -13.613 1.00 0.00 H new ATOM 0 HD11 LEU A 37 24.400 4.900 -13.456 1.00 0.00 H new ATOM 0 HD12 LEU A 37 23.320 6.066 -12.655 1.00 0.00 H new ATOM 0 HD13 LEU A 37 22.913 5.442 -14.271 1.00 0.00 H new ATOM 0 HD21 LEU A 37 25.816 5.576 -15.337 1.00 0.00 H new ATOM 0 HD22 LEU A 37 24.367 6.074 -16.243 1.00 0.00 H new ATOM 0 HD23 LEU A 37 25.710 7.219 -16.013 1.00 0.00 H new ATOM 542 N TYR A 38 22.919 11.297 -14.543 1.00 0.00 N ATOM 543 CA TYR A 38 21.874 12.323 -14.519 1.00 0.00 C ATOM 544 C TYR A 38 22.475 13.709 -14.264 1.00 0.00 C ATOM 545 O TYR A 38 22.274 14.637 -15.043 1.00 0.00 O ATOM 546 CB TYR A 38 20.843 12.027 -13.413 1.00 0.00 C ATOM 547 CG TYR A 38 20.096 10.709 -13.511 1.00 0.00 C ATOM 548 CD1 TYR A 38 20.682 9.548 -12.978 1.00 0.00 C ATOM 549 CD2 TYR A 38 18.746 10.682 -13.913 1.00 0.00 C ATOM 550 CE1 TYR A 38 19.963 8.344 -12.942 1.00 0.00 C ATOM 551 CE2 TYR A 38 18.001 9.494 -13.800 1.00 0.00 C ATOM 552 CZ TYR A 38 18.630 8.314 -13.379 1.00 0.00 C ATOM 553 OH TYR A 38 17.889 7.188 -13.230 1.00 0.00 O ATOM 0 H TYR A 38 23.565 11.375 -13.757 1.00 0.00 H new ATOM 0 HA TYR A 38 21.384 12.309 -15.493 1.00 0.00 H new ATOM 0 HB2 TYR A 38 21.357 12.056 -12.452 1.00 0.00 H new ATOM 0 HB3 TYR A 38 20.110 12.834 -13.407 1.00 0.00 H new ATOM 0 HD1 TYR A 38 21.691 9.583 -12.594 1.00 0.00 H new ATOM 0 HD2 TYR A 38 18.283 11.574 -14.308 1.00 0.00 H new ATOM 0 HE1 TYR A 38 20.434 7.443 -12.579 1.00 0.00 H new ATOM 0 HE2 TYR A 38 16.947 9.491 -14.037 1.00 0.00 H new ATOM 0 HH TYR A 38 17.986 6.851 -12.315 1.00 0.00 H new ATOM 563 N GLY A 39 23.154 13.861 -13.125 1.00 0.00 N ATOM 564 CA GLY A 39 23.612 15.129 -12.584 1.00 0.00 C ATOM 565 C GLY A 39 23.878 14.933 -11.092 1.00 0.00 C ATOM 566 O GLY A 39 23.152 14.196 -10.426 1.00 0.00 O ATOM 0 H GLY A 39 23.407 13.068 -12.535 1.00 0.00 H new ATOM 0 HA2 GLY A 39 24.518 15.456 -13.094 1.00 0.00 H new ATOM 0 HA3 GLY A 39 22.861 15.904 -12.739 1.00 0.00 H new ATOM 570 N ASN A 40 24.921 15.567 -10.545 1.00 0.00 N ATOM 571 CA ASN A 40 25.417 15.278 -9.197 1.00 0.00 C ATOM 572 C ASN A 40 24.585 15.935 -8.091 1.00 0.00 C ATOM 573 O ASN A 40 25.122 16.348 -7.057 1.00 0.00 O ATOM 574 CB ASN A 40 26.899 15.666 -9.099 1.00 0.00 C ATOM 575 CG ASN A 40 27.127 17.158 -9.325 1.00 0.00 C ATOM 576 OD1 ASN A 40 27.469 17.569 -10.427 1.00 0.00 O ATOM 577 ND2 ASN A 40 26.913 17.980 -8.304 1.00 0.00 N ATOM 0 H ASN A 40 25.446 16.297 -11.027 1.00 0.00 H new ATOM 0 HA ASN A 40 25.315 14.205 -9.033 1.00 0.00 H new ATOM 0 HB2 ASN A 40 27.280 15.388 -8.116 1.00 0.00 H new ATOM 0 HB3 ASN A 40 27.469 15.099 -9.834 1.00 0.00 H new ATOM 0 HD21 ASN A 40 27.033 18.986 -8.425 1.00 0.00 H new ATOM 0 HD22 ASN A 40 26.629 17.606 -7.399 1.00 0.00 H new ATOM 584 N ASP A 41 23.260 15.977 -8.253 1.00 0.00 N ATOM 585 CA ASP A 41 22.359 16.683 -7.341 1.00 0.00 C ATOM 586 C ASP A 41 22.031 15.825 -6.114 1.00 0.00 C ATOM 587 O ASP A 41 20.898 15.796 -5.639 1.00 0.00 O ATOM 588 CB ASP A 41 21.104 17.137 -8.103 1.00 0.00 C ATOM 589 CG ASP A 41 20.177 18.000 -7.249 1.00 0.00 C ATOM 590 OD1 ASP A 41 20.708 18.883 -6.540 1.00 0.00 O ATOM 591 OD2 ASP A 41 18.951 17.769 -7.329 1.00 0.00 O ATOM 0 H ASP A 41 22.780 15.518 -9.027 1.00 0.00 H new ATOM 0 HA ASP A 41 22.855 17.576 -6.960 1.00 0.00 H new ATOM 0 HB2 ASP A 41 21.404 17.699 -8.988 1.00 0.00 H new ATOM 0 HB3 ASP A 41 20.559 16.260 -8.452 1.00 0.00 H new ATOM 596 N PHE A 42 23.042 15.107 -5.618 1.00 0.00 N ATOM 597 CA PHE A 42 22.925 14.072 -4.601 1.00 0.00 C ATOM 598 C PHE A 42 24.151 14.119 -3.704 1.00 0.00 C ATOM 599 O PHE A 42 24.578 13.110 -3.144 1.00 0.00 O ATOM 600 CB PHE A 42 22.718 12.710 -5.275 1.00 0.00 C ATOM 601 CG PHE A 42 21.534 12.720 -6.230 1.00 0.00 C ATOM 602 CD1 PHE A 42 20.226 12.682 -5.713 1.00 0.00 C ATOM 603 CD2 PHE A 42 21.733 13.133 -7.561 1.00 0.00 C ATOM 604 CE1 PHE A 42 19.134 13.048 -6.519 1.00 0.00 C ATOM 605 CE2 PHE A 42 20.640 13.469 -8.378 1.00 0.00 C ATOM 606 CZ PHE A 42 19.337 13.423 -7.857 1.00 0.00 C ATOM 0 H PHE A 42 24.003 15.241 -5.931 1.00 0.00 H new ATOM 0 HA PHE A 42 22.055 14.241 -3.967 1.00 0.00 H new ATOM 0 HB2 PHE A 42 23.621 12.434 -5.820 1.00 0.00 H new ATOM 0 HB3 PHE A 42 22.561 11.948 -4.512 1.00 0.00 H new ATOM 0 HD1 PHE A 42 20.060 12.370 -4.692 1.00 0.00 H new ATOM 0 HD2 PHE A 42 22.736 13.192 -7.958 1.00 0.00 H new ATOM 0 HE1 PHE A 42 18.135 13.041 -6.108 1.00 0.00 H new ATOM 0 HE2 PHE A 42 20.802 13.762 -9.405 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.494 13.675 -8.483 1.00 0.00 H new ATOM 616 N SER A 43 24.694 15.327 -3.544 1.00 0.00 N ATOM 617 CA SER A 43 25.814 15.613 -2.674 1.00 0.00 C ATOM 618 C SER A 43 25.302 15.645 -1.232 1.00 0.00 C ATOM 619 O SER A 43 25.249 16.699 -0.602 1.00 0.00 O ATOM 620 CB SER A 43 26.444 16.937 -3.119 1.00 0.00 C ATOM 621 OG SER A 43 26.830 16.856 -4.483 1.00 0.00 O ATOM 0 H SER A 43 24.349 16.152 -4.035 1.00 0.00 H new ATOM 0 HA SER A 43 26.589 14.849 -2.730 1.00 0.00 H new ATOM 0 HB2 SER A 43 25.733 17.752 -2.981 1.00 0.00 H new ATOM 0 HB3 SER A 43 27.312 17.163 -2.500 1.00 0.00 H new ATOM 0 HG SER A 43 27.230 17.706 -4.761 1.00 0.00 H new ATOM 627 N GLN A 44 24.878 14.480 -0.731 1.00 0.00 N ATOM 628 CA GLN A 44 24.410 14.239 0.629 1.00 0.00 C ATOM 629 C GLN A 44 23.002 14.784 0.886 1.00 0.00 C ATOM 630 O GLN A 44 22.175 14.079 1.456 1.00 0.00 O ATOM 631 CB GLN A 44 25.418 14.760 1.667 1.00 0.00 C ATOM 632 CG GLN A 44 25.338 13.966 2.977 1.00 0.00 C ATOM 633 CD GLN A 44 26.533 14.275 3.871 1.00 0.00 C ATOM 634 OE1 GLN A 44 27.504 13.524 3.895 1.00 0.00 O ATOM 635 NE2 GLN A 44 26.485 15.387 4.598 1.00 0.00 N ATOM 0 H GLN A 44 24.853 13.634 -1.301 1.00 0.00 H new ATOM 0 HA GLN A 44 24.338 13.157 0.742 1.00 0.00 H new ATOM 0 HB2 GLN A 44 26.427 14.693 1.261 1.00 0.00 H new ATOM 0 HB3 GLN A 44 25.224 15.814 1.867 1.00 0.00 H new ATOM 0 HG2 GLN A 44 24.414 14.211 3.500 1.00 0.00 H new ATOM 0 HG3 GLN A 44 25.307 12.898 2.759 1.00 0.00 H new ATOM 0 HE21 GLN A 44 25.663 15.989 4.555 1.00 0.00 H new ATOM 0 HE22 GLN A 44 27.270 15.638 5.199 1.00 0.00 H new ATOM 644 N THR A 45 22.737 16.032 0.501 1.00 0.00 N ATOM 645 CA THR A 45 21.508 16.757 0.798 1.00 0.00 C ATOM 646 C THR A 45 20.255 15.936 0.469 1.00 0.00 C ATOM 647 O THR A 45 19.623 15.362 1.357 1.00 0.00 O ATOM 648 CB THR A 45 21.531 18.086 0.024 1.00 0.00 C ATOM 649 OG1 THR A 45 21.828 17.828 -1.339 1.00 0.00 O ATOM 650 CG2 THR A 45 22.588 19.040 0.589 1.00 0.00 C ATOM 0 H THR A 45 23.398 16.583 -0.046 1.00 0.00 H new ATOM 0 HA THR A 45 21.460 16.953 1.869 1.00 0.00 H new ATOM 0 HB THR A 45 20.552 18.555 0.122 1.00 0.00 H new ATOM 0 HG1 THR A 45 21.842 18.672 -1.836 1.00 0.00 H new ATOM 0 HG21 THR A 45 22.580 19.970 0.021 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.365 19.252 1.635 1.00 0.00 H new ATOM 0 HG23 THR A 45 23.572 18.578 0.514 1.00 0.00 H new ATOM 658 N THR A 46 19.889 15.889 -0.810 1.00 0.00 N ATOM 659 CA THR A 46 18.677 15.251 -1.294 1.00 0.00 C ATOM 660 C THR A 46 18.609 13.799 -0.819 1.00 0.00 C ATOM 661 O THR A 46 17.568 13.353 -0.347 1.00 0.00 O ATOM 662 CB THR A 46 18.657 15.342 -2.822 1.00 0.00 C ATOM 663 OG1 THR A 46 19.895 14.866 -3.291 1.00 0.00 O ATOM 664 CG2 THR A 46 18.461 16.784 -3.302 1.00 0.00 C ATOM 0 H THR A 46 20.446 16.307 -1.555 1.00 0.00 H new ATOM 0 HA THR A 46 17.800 15.760 -0.894 1.00 0.00 H new ATOM 0 HB THR A 46 17.825 14.751 -3.204 1.00 0.00 H new ATOM 0 HG1 THR A 46 20.109 15.298 -4.144 1.00 0.00 H new ATOM 0 HG21 THR A 46 18.452 16.807 -4.392 1.00 0.00 H new ATOM 0 HG22 THR A 46 17.514 17.168 -2.924 1.00 0.00 H new ATOM 0 HG23 THR A 46 19.277 17.405 -2.933 1.00 0.00 H new ATOM 672 N ILE A 47 19.719 13.068 -0.924 1.00 0.00 N ATOM 673 CA ILE A 47 19.819 11.680 -0.486 1.00 0.00 C ATOM 674 C ILE A 47 19.443 11.537 0.993 1.00 0.00 C ATOM 675 O ILE A 47 18.572 10.737 1.331 1.00 0.00 O ATOM 676 CB ILE A 47 21.221 11.131 -0.817 1.00 0.00 C ATOM 677 CG1 ILE A 47 21.461 11.071 -2.329 1.00 0.00 C ATOM 678 CG2 ILE A 47 21.472 9.760 -0.173 1.00 0.00 C ATOM 679 CD1 ILE A 47 20.453 10.233 -3.122 1.00 0.00 C ATOM 0 H ILE A 47 20.585 13.431 -1.322 1.00 0.00 H new ATOM 0 HA ILE A 47 19.097 11.072 -1.031 1.00 0.00 H new ATOM 0 HB ILE A 47 21.938 11.831 -0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.451 12.088 -2.722 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.459 10.671 -2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.472 9.413 -0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.389 9.846 0.910 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.734 9.046 -0.538 1.00 0.00 H new ATOM 0 HD11 ILE A 47 20.713 10.257 -4.180 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.476 9.203 -2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.452 10.642 -2.985 1.00 0.00 H new ATOM 691 N SER A 48 20.073 12.305 1.881 1.00 0.00 N ATOM 692 CA SER A 48 19.772 12.242 3.305 1.00 0.00 C ATOM 693 C SER A 48 18.304 12.600 3.550 1.00 0.00 C ATOM 694 O SER A 48 17.589 11.863 4.224 1.00 0.00 O ATOM 695 CB SER A 48 20.735 13.128 4.104 1.00 0.00 C ATOM 696 OG SER A 48 20.649 14.484 3.717 1.00 0.00 O ATOM 0 H SER A 48 20.797 12.980 1.635 1.00 0.00 H new ATOM 0 HA SER A 48 19.920 11.222 3.659 1.00 0.00 H new ATOM 0 HB2 SER A 48 20.512 13.039 5.167 1.00 0.00 H new ATOM 0 HB3 SER A 48 21.756 12.774 3.962 1.00 0.00 H new ATOM 0 HG SER A 48 20.365 14.540 2.781 1.00 0.00 H new ATOM 702 N ARG A 49 17.843 13.709 2.964 1.00 0.00 N ATOM 703 CA ARG A 49 16.453 14.134 3.064 1.00 0.00 C ATOM 704 C ARG A 49 15.488 13.069 2.533 1.00 0.00 C ATOM 705 O ARG A 49 14.389 12.917 3.060 1.00 0.00 O ATOM 706 CB ARG A 49 16.257 15.476 2.347 1.00 0.00 C ATOM 707 CG ARG A 49 16.999 16.662 2.989 1.00 0.00 C ATOM 708 CD ARG A 49 16.528 16.983 4.414 1.00 0.00 C ATOM 709 NE ARG A 49 17.166 16.101 5.401 1.00 0.00 N ATOM 710 CZ ARG A 49 16.658 15.745 6.591 1.00 0.00 C ATOM 711 NH1 ARG A 49 15.484 16.219 7.024 1.00 0.00 N ATOM 712 NH2 ARG A 49 17.348 14.893 7.355 1.00 0.00 N ATOM 0 H ARG A 49 18.427 14.334 2.408 1.00 0.00 H new ATOM 0 HA ARG A 49 16.218 14.268 4.120 1.00 0.00 H new ATOM 0 HB2 ARG A 49 16.590 15.373 1.314 1.00 0.00 H new ATOM 0 HB3 ARG A 49 15.192 15.705 2.317 1.00 0.00 H new ATOM 0 HG2 ARG A 49 18.067 16.444 3.009 1.00 0.00 H new ATOM 0 HG3 ARG A 49 16.865 17.545 2.364 1.00 0.00 H new ATOM 0 HD2 ARG A 49 16.758 18.022 4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 49 15.445 16.875 4.474 1.00 0.00 H new ATOM 0 HE ARG A 49 18.082 15.723 5.159 1.00 0.00 H new ATOM 0 HH11 ARG A 49 14.951 16.868 6.445 1.00 0.00 H new ATOM 0 HH12 ARG A 49 15.122 15.931 7.933 1.00 0.00 H new ATOM 0 HH21 ARG A 49 18.243 14.526 7.030 1.00 0.00 H new ATOM 0 HH22 ARG A 49 16.980 14.609 8.263 1.00 0.00 H new ATOM 726 N PHE A 50 15.877 12.330 1.494 1.00 0.00 N ATOM 727 CA PHE A 50 15.074 11.264 0.919 1.00 0.00 C ATOM 728 C PHE A 50 14.988 10.095 1.878 1.00 0.00 C ATOM 729 O PHE A 50 13.902 9.642 2.212 1.00 0.00 O ATOM 730 CB PHE A 50 15.705 10.795 -0.388 1.00 0.00 C ATOM 731 CG PHE A 50 14.955 9.694 -1.117 1.00 0.00 C ATOM 732 CD1 PHE A 50 13.556 9.750 -1.269 1.00 0.00 C ATOM 733 CD2 PHE A 50 15.669 8.612 -1.660 1.00 0.00 C ATOM 734 CE1 PHE A 50 12.890 8.781 -2.038 1.00 0.00 C ATOM 735 CE2 PHE A 50 15.002 7.635 -2.413 1.00 0.00 C ATOM 736 CZ PHE A 50 13.619 7.744 -2.642 1.00 0.00 C ATOM 0 H PHE A 50 16.773 12.461 1.025 1.00 0.00 H new ATOM 0 HA PHE A 50 14.071 11.645 0.729 1.00 0.00 H new ATOM 0 HB2 PHE A 50 15.796 11.652 -1.055 1.00 0.00 H new ATOM 0 HB3 PHE A 50 16.716 10.445 -0.178 1.00 0.00 H new ATOM 0 HD1 PHE A 50 12.994 10.540 -0.793 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.734 8.533 -1.497 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.819 8.834 -2.164 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.551 6.798 -2.818 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.118 7.032 -3.281 1.00 0.00 H new ATOM 746 N GLU A 51 16.142 9.617 2.331 1.00 0.00 N ATOM 747 CA GLU A 51 16.228 8.540 3.309 1.00 0.00 C ATOM 748 C GLU A 51 15.435 8.890 4.579 1.00 0.00 C ATOM 749 O GLU A 51 14.738 8.040 5.130 1.00 0.00 O ATOM 750 CB GLU A 51 17.704 8.236 3.592 1.00 0.00 C ATOM 751 CG GLU A 51 18.372 7.598 2.359 1.00 0.00 C ATOM 752 CD GLU A 51 19.898 7.540 2.472 1.00 0.00 C ATOM 753 OE1 GLU A 51 20.419 7.810 3.578 1.00 0.00 O ATOM 754 OE2 GLU A 51 20.537 7.205 1.453 1.00 0.00 O ATOM 0 H GLU A 51 17.050 9.969 2.027 1.00 0.00 H new ATOM 0 HA GLU A 51 15.771 7.635 2.909 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.225 9.155 3.860 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.785 7.563 4.445 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.984 6.588 2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.100 8.166 1.470 1.00 0.00 H new ATOM 761 N ALA A 52 15.511 10.151 5.021 1.00 0.00 N ATOM 762 CA ALA A 52 14.719 10.687 6.128 1.00 0.00 C ATOM 763 C ALA A 52 13.252 10.944 5.743 1.00 0.00 C ATOM 764 O ALA A 52 12.430 11.218 6.613 1.00 0.00 O ATOM 765 CB ALA A 52 15.370 11.979 6.628 1.00 0.00 C ATOM 0 H ALA A 52 16.140 10.840 4.608 1.00 0.00 H new ATOM 0 HA ALA A 52 14.704 9.937 6.919 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.785 12.385 7.454 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.383 11.767 6.970 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.406 12.706 5.817 1.00 0.00 H new ATOM 771 N LEU A 53 12.927 10.874 4.451 1.00 0.00 N ATOM 772 CA LEU A 53 11.605 11.048 3.867 1.00 0.00 C ATOM 773 C LEU A 53 10.995 12.415 4.180 1.00 0.00 C ATOM 774 O LEU A 53 9.810 12.541 4.476 1.00 0.00 O ATOM 775 CB LEU A 53 10.703 9.854 4.205 1.00 0.00 C ATOM 776 CG LEU A 53 11.213 8.556 3.554 1.00 0.00 C ATOM 777 CD1 LEU A 53 10.518 7.388 4.252 1.00 0.00 C ATOM 778 CD2 LEU A 53 10.915 8.493 2.049 1.00 0.00 C ATOM 0 H LEU A 53 13.632 10.681 3.740 1.00 0.00 H new ATOM 0 HA LEU A 53 11.708 11.053 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.658 9.726 5.287 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.687 10.057 3.866 1.00 0.00 H new ATOM 0 HG LEU A 53 12.297 8.514 3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.857 6.449 3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.761 7.402 5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.439 7.479 4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.296 7.557 1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.838 8.546 1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.399 9.331 1.547 1.00 0.00 H new ATOM 790 N ASN A 54 11.812 13.456 4.022 1.00 0.00 N ATOM 791 CA ASN A 54 11.425 14.851 4.189 1.00 0.00 C ATOM 792 C ASN A 54 10.750 15.392 2.924 1.00 0.00 C ATOM 793 O ASN A 54 9.920 16.295 3.000 1.00 0.00 O ATOM 794 CB ASN A 54 12.694 15.658 4.506 1.00 0.00 C ATOM 795 CG ASN A 54 12.473 17.034 5.142 1.00 0.00 C ATOM 796 OD1 ASN A 54 13.341 17.500 5.874 1.00 0.00 O ATOM 797 ND2 ASN A 54 11.360 17.716 4.890 1.00 0.00 N ATOM 0 H ASN A 54 12.793 13.345 3.766 1.00 0.00 H new ATOM 0 HA ASN A 54 10.704 14.939 5.002 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.319 15.067 5.175 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.255 15.793 3.581 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.221 18.637 5.307 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.645 17.319 4.280 1.00 0.00 H new ATOM 804 N LEU A 55 11.125 14.879 1.748 1.00 0.00 N ATOM 805 CA LEU A 55 10.759 15.452 0.451 1.00 0.00 C ATOM 806 C LEU A 55 9.335 15.074 0.004 1.00 0.00 C ATOM 807 O LEU A 55 9.139 14.647 -1.135 1.00 0.00 O ATOM 808 CB LEU A 55 11.805 15.026 -0.594 1.00 0.00 C ATOM 809 CG LEU A 55 13.267 15.285 -0.186 1.00 0.00 C ATOM 810 CD1 LEU A 55 14.202 14.728 -1.266 1.00 0.00 C ATOM 811 CD2 LEU A 55 13.543 16.780 0.007 1.00 0.00 C ATOM 0 H LEU A 55 11.701 14.041 1.670 1.00 0.00 H new ATOM 0 HA LEU A 55 10.753 16.537 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.682 13.962 -0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.603 15.554 -1.526 1.00 0.00 H new ATOM 0 HG LEU A 55 13.447 14.784 0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.238 14.910 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.038 13.656 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.996 15.222 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.585 16.924 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.348 17.309 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.893 17.172 0.790 1.00 0.00 H new ATOM 823 N SER A 56 8.360 15.221 0.908 1.00 0.00 N ATOM 824 CA SER A 56 6.964 14.790 0.850 1.00 0.00 C ATOM 825 C SER A 56 6.407 14.430 -0.535 1.00 0.00 C ATOM 826 O SER A 56 5.726 15.244 -1.155 1.00 0.00 O ATOM 827 CB SER A 56 6.123 15.877 1.522 1.00 0.00 C ATOM 828 OG SER A 56 6.728 16.206 2.761 1.00 0.00 O ATOM 0 H SER A 56 8.553 15.695 1.790 1.00 0.00 H new ATOM 0 HA SER A 56 6.912 13.836 1.374 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.062 16.758 0.884 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.103 15.525 1.679 1.00 0.00 H new ATOM 0 HG SER A 56 6.203 16.904 3.206 1.00 0.00 H new ATOM 834 N PHE A 57 6.634 13.186 -0.974 1.00 0.00 N ATOM 835 CA PHE A 57 6.089 12.546 -2.172 1.00 0.00 C ATOM 836 C PHE A 57 6.560 13.159 -3.498 1.00 0.00 C ATOM 837 O PHE A 57 7.113 12.454 -4.341 1.00 0.00 O ATOM 838 CB PHE A 57 4.560 12.435 -2.114 1.00 0.00 C ATOM 839 CG PHE A 57 3.997 11.611 -3.258 1.00 0.00 C ATOM 840 CD1 PHE A 57 4.225 10.222 -3.291 1.00 0.00 C ATOM 841 CD2 PHE A 57 3.390 12.243 -4.360 1.00 0.00 C ATOM 842 CE1 PHE A 57 3.826 9.466 -4.407 1.00 0.00 C ATOM 843 CE2 PHE A 57 2.995 11.486 -5.478 1.00 0.00 C ATOM 844 CZ PHE A 57 3.210 10.098 -5.500 1.00 0.00 C ATOM 0 H PHE A 57 7.250 12.555 -0.461 1.00 0.00 H new ATOM 0 HA PHE A 57 6.507 11.539 -2.162 1.00 0.00 H new ATOM 0 HB2 PHE A 57 4.267 11.984 -1.166 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.124 13.434 -2.140 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.708 9.736 -2.456 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.227 13.311 -4.347 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.993 8.399 -4.424 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.526 11.973 -6.320 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.902 9.517 -6.357 1.00 0.00 H new ATOM 854 N LYS A 58 6.312 14.456 -3.694 1.00 0.00 N ATOM 855 CA LYS A 58 6.531 15.183 -4.937 1.00 0.00 C ATOM 856 C LYS A 58 7.878 14.844 -5.581 1.00 0.00 C ATOM 857 O LYS A 58 7.940 14.509 -6.763 1.00 0.00 O ATOM 858 CB LYS A 58 6.348 16.690 -4.687 1.00 0.00 C ATOM 859 CG LYS A 58 7.301 17.282 -3.634 1.00 0.00 C ATOM 860 CD LYS A 58 6.863 18.706 -3.265 1.00 0.00 C ATOM 861 CE LYS A 58 7.719 19.285 -2.131 1.00 0.00 C ATOM 862 NZ LYS A 58 9.138 19.409 -2.510 1.00 0.00 N ATOM 0 H LYS A 58 5.936 15.050 -2.955 1.00 0.00 H new ATOM 0 HA LYS A 58 5.784 14.866 -5.665 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.491 17.222 -5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.320 16.871 -4.371 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.307 16.653 -2.744 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.320 17.296 -4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.937 19.349 -4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.816 18.698 -2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.333 20.265 -1.851 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.634 18.646 -1.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.661 19.882 -1.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.539 18.463 -2.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.217 19.970 -3.382 1.00 0.00 H new ATOM 876 N ASN A 59 8.961 14.915 -4.801 1.00 0.00 N ATOM 877 CA ASN A 59 10.280 14.571 -5.307 1.00 0.00 C ATOM 878 C ASN A 59 10.413 13.056 -5.376 1.00 0.00 C ATOM 879 O ASN A 59 10.907 12.523 -6.370 1.00 0.00 O ATOM 880 CB ASN A 59 11.375 15.142 -4.402 1.00 0.00 C ATOM 881 CG ASN A 59 12.730 15.273 -5.100 1.00 0.00 C ATOM 882 OD1 ASN A 59 13.536 16.111 -4.713 1.00 0.00 O ATOM 883 ND2 ASN A 59 13.016 14.475 -6.128 1.00 0.00 N ATOM 0 H ASN A 59 8.944 15.206 -3.824 1.00 0.00 H new ATOM 0 HA ASN A 59 10.396 15.000 -6.302 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.064 16.122 -4.041 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.485 14.501 -3.528 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.915 14.557 -6.603 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.336 13.782 -6.440 1.00 0.00 H new ATOM 890 N MET A 60 10.013 12.391 -4.287 1.00 0.00 N ATOM 891 CA MET A 60 10.143 10.954 -4.085 1.00 0.00 C ATOM 892 C MET A 60 9.709 10.172 -5.318 1.00 0.00 C ATOM 893 O MET A 60 10.393 9.245 -5.733 1.00 0.00 O ATOM 894 CB MET A 60 9.319 10.472 -2.890 1.00 0.00 C ATOM 895 CG MET A 60 9.651 11.193 -1.591 1.00 0.00 C ATOM 896 SD MET A 60 8.772 10.515 -0.170 1.00 0.00 S ATOM 897 CE MET A 60 9.494 11.567 1.093 1.00 0.00 C ATOM 0 H MET A 60 9.574 12.862 -3.496 1.00 0.00 H new ATOM 0 HA MET A 60 11.200 10.771 -3.892 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.260 10.608 -3.111 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.482 9.403 -2.754 1.00 0.00 H new ATOM 0 HG2 MET A 60 10.724 11.132 -1.411 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.405 12.250 -1.694 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.385 11.092 2.068 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.552 11.718 0.880 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.984 12.530 1.099 1.00 0.00 H new ATOM 907 N CYS A 61 8.566 10.527 -5.902 1.00 0.00 N ATOM 908 CA CYS A 61 8.015 9.762 -7.011 1.00 0.00 C ATOM 909 C CYS A 61 8.900 9.797 -8.261 1.00 0.00 C ATOM 910 O CYS A 61 8.809 8.901 -9.099 1.00 0.00 O ATOM 911 CB CYS A 61 6.596 10.245 -7.319 1.00 0.00 C ATOM 912 SG CYS A 61 5.794 9.068 -8.437 1.00 0.00 S ATOM 0 H CYS A 61 8.009 11.335 -5.625 1.00 0.00 H new ATOM 0 HA CYS A 61 7.980 8.717 -6.702 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.022 10.337 -6.397 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.627 11.234 -7.775 1.00 0.00 H new ATOM 0 HG CYS A 61 6.689 8.516 -9.201 1.00 0.00 H new ATOM 917 N LYS A 62 9.756 10.811 -8.401 1.00 0.00 N ATOM 918 CA LYS A 62 10.752 10.870 -9.467 1.00 0.00 C ATOM 919 C LYS A 62 12.040 10.204 -8.973 1.00 0.00 C ATOM 920 O LYS A 62 12.654 9.378 -9.646 1.00 0.00 O ATOM 921 CB LYS A 62 11.004 12.338 -9.853 1.00 0.00 C ATOM 922 CG LYS A 62 9.723 13.164 -10.055 1.00 0.00 C ATOM 923 CD LYS A 62 8.807 12.575 -11.138 1.00 0.00 C ATOM 924 CE LYS A 62 7.519 13.393 -11.293 1.00 0.00 C ATOM 925 NZ LYS A 62 7.786 14.770 -11.746 1.00 0.00 N ATOM 0 H LYS A 62 9.776 11.616 -7.775 1.00 0.00 H new ATOM 0 HA LYS A 62 10.396 10.342 -10.352 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.608 12.808 -9.076 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.589 12.365 -10.772 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.178 13.218 -9.113 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.992 14.185 -10.327 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.338 12.548 -12.089 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.556 11.545 -10.883 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.860 12.899 -12.007 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.992 13.422 -10.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.889 15.232 -11.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.247 15.304 -10.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.410 14.747 -12.577 1.00 0.00 H new ATOM 939 N LEU A 63 12.434 10.579 -7.760 1.00 0.00 N ATOM 940 CA LEU A 63 13.659 10.173 -7.099 1.00 0.00 C ATOM 941 C LEU A 63 13.749 8.652 -6.957 1.00 0.00 C ATOM 942 O LEU A 63 14.825 8.085 -7.117 1.00 0.00 O ATOM 943 CB LEU A 63 13.664 10.871 -5.742 1.00 0.00 C ATOM 944 CG LEU A 63 14.932 10.811 -4.888 1.00 0.00 C ATOM 945 CD1 LEU A 63 16.166 11.214 -5.696 1.00 0.00 C ATOM 946 CD2 LEU A 63 14.793 11.832 -3.756 1.00 0.00 C ATOM 0 H LEU A 63 11.874 11.208 -7.185 1.00 0.00 H new ATOM 0 HA LEU A 63 14.532 10.459 -7.686 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.429 11.922 -5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.849 10.452 -5.152 1.00 0.00 H new ATOM 0 HG LEU A 63 15.050 9.791 -4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 63 17.050 11.161 -5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 63 16.285 10.536 -6.541 1.00 0.00 H new ATOM 0 HD13 LEU A 63 16.044 12.233 -6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.687 11.808 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 63 14.672 12.830 -4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.921 11.587 -3.150 1.00 0.00 H new ATOM 958 N LYS A 64 12.634 7.976 -6.662 1.00 0.00 N ATOM 959 CA LYS A 64 12.615 6.534 -6.489 1.00 0.00 C ATOM 960 C LYS A 64 13.043 5.817 -7.774 1.00 0.00 C ATOM 961 O LYS A 64 14.074 5.147 -7.748 1.00 0.00 O ATOM 962 CB LYS A 64 11.276 6.071 -5.892 1.00 0.00 C ATOM 963 CG LYS A 64 11.221 4.550 -5.674 1.00 0.00 C ATOM 964 CD LYS A 64 10.511 3.787 -6.801 1.00 0.00 C ATOM 965 CE LYS A 64 10.401 2.294 -6.466 1.00 0.00 C ATOM 966 NZ LYS A 64 11.724 1.651 -6.371 1.00 0.00 N ATOM 0 H LYS A 64 11.724 8.420 -6.538 1.00 0.00 H new ATOM 0 HA LYS A 64 13.364 6.244 -5.752 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.112 6.577 -4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.464 6.369 -6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.238 4.170 -5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.711 4.346 -4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.516 4.203 -6.957 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.060 3.915 -7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.870 2.172 -5.522 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.809 1.793 -7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.607 0.618 -6.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.298 1.915 -7.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.201 1.966 -5.502 1.00 0.00 H new ATOM 980 N PRO A 65 12.319 5.932 -8.903 1.00 0.00 N ATOM 981 CA PRO A 65 12.752 5.310 -10.143 1.00 0.00 C ATOM 982 C PRO A 65 14.141 5.807 -10.556 1.00 0.00 C ATOM 983 O PRO A 65 14.964 5.011 -10.996 1.00 0.00 O ATOM 984 CB PRO A 65 11.666 5.604 -11.183 1.00 0.00 C ATOM 985 CG PRO A 65 10.914 6.806 -10.613 1.00 0.00 C ATOM 986 CD PRO A 65 11.059 6.631 -9.100 1.00 0.00 C ATOM 0 HA PRO A 65 12.866 4.231 -10.034 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.099 5.831 -12.157 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.004 4.749 -11.320 1.00 0.00 H new ATOM 0 HG2 PRO A 65 11.346 7.748 -10.952 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.868 6.807 -10.919 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.063 7.596 -8.593 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.226 6.059 -8.690 1.00 0.00 H new ATOM 994 N LEU A 66 14.424 7.103 -10.387 1.00 0.00 N ATOM 995 CA LEU A 66 15.725 7.684 -10.702 1.00 0.00 C ATOM 996 C LEU A 66 16.863 6.928 -9.998 1.00 0.00 C ATOM 997 O LEU A 66 17.779 6.409 -10.649 1.00 0.00 O ATOM 998 CB LEU A 66 15.656 9.178 -10.339 1.00 0.00 C ATOM 999 CG LEU A 66 16.921 10.023 -10.555 1.00 0.00 C ATOM 1000 CD1 LEU A 66 16.584 11.289 -11.355 1.00 0.00 C ATOM 1001 CD2 LEU A 66 17.483 10.483 -9.209 1.00 0.00 C ATOM 0 H LEU A 66 13.750 7.778 -10.026 1.00 0.00 H new ATOM 0 HA LEU A 66 15.954 7.590 -11.764 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.849 9.627 -10.918 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.376 9.256 -9.289 1.00 0.00 H new ATOM 0 HG LEU A 66 17.644 9.407 -11.090 1.00 0.00 H new ATOM 0 HD11 LEU A 66 17.489 11.879 -11.501 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.174 11.008 -12.325 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.850 11.880 -10.808 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.379 11.081 -9.374 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.737 11.084 -8.689 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.734 9.613 -8.603 1.00 0.00 H new ATOM 1013 N LEU A 67 16.805 6.838 -8.669 1.00 0.00 N ATOM 1014 CA LEU A 67 17.815 6.147 -7.893 1.00 0.00 C ATOM 1015 C LEU A 67 17.760 4.641 -8.119 1.00 0.00 C ATOM 1016 O LEU A 67 18.802 3.997 -8.089 1.00 0.00 O ATOM 1017 CB LEU A 67 17.668 6.466 -6.407 1.00 0.00 C ATOM 1018 CG LEU A 67 18.021 7.910 -6.032 1.00 0.00 C ATOM 1019 CD1 LEU A 67 17.970 8.074 -4.515 1.00 0.00 C ATOM 1020 CD2 LEU A 67 19.385 8.399 -6.535 1.00 0.00 C ATOM 0 H LEU A 67 16.055 7.244 -8.109 1.00 0.00 H new ATOM 0 HA LEU A 67 18.788 6.502 -8.232 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.640 6.266 -6.105 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.305 5.789 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 67 17.275 8.525 -6.534 1.00 0.00 H new ATOM 0 HD11 LEU A 67 18.221 9.101 -4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.967 7.843 -4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 67 18.686 7.395 -4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.541 9.430 -6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 67 20.173 7.769 -6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.412 8.345 -7.623 1.00 0.00 H new ATOM 1032 N GLU A 68 16.577 4.061 -8.331 1.00 0.00 N ATOM 1033 CA GLU A 68 16.462 2.644 -8.644 1.00 0.00 C ATOM 1034 C GLU A 68 17.265 2.345 -9.912 1.00 0.00 C ATOM 1035 O GLU A 68 18.079 1.423 -9.927 1.00 0.00 O ATOM 1036 CB GLU A 68 14.982 2.251 -8.765 1.00 0.00 C ATOM 1037 CG GLU A 68 14.748 0.734 -8.870 1.00 0.00 C ATOM 1038 CD GLU A 68 15.174 0.138 -10.211 1.00 0.00 C ATOM 1039 OE1 GLU A 68 14.817 0.746 -11.244 1.00 0.00 O ATOM 1040 OE2 GLU A 68 15.844 -0.917 -10.179 1.00 0.00 O ATOM 0 H GLU A 68 15.686 4.556 -8.290 1.00 0.00 H new ATOM 0 HA GLU A 68 16.880 2.038 -7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.442 2.633 -7.898 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.558 2.736 -9.644 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.295 0.235 -8.070 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.690 0.527 -8.710 1.00 0.00 H new ATOM 1047 N LYS A 69 17.059 3.138 -10.967 1.00 0.00 N ATOM 1048 CA LYS A 69 17.766 2.946 -12.222 1.00 0.00 C ATOM 1049 C LYS A 69 19.269 3.131 -12.005 1.00 0.00 C ATOM 1050 O LYS A 69 20.059 2.321 -12.488 1.00 0.00 O ATOM 1051 CB LYS A 69 17.210 3.906 -13.274 1.00 0.00 C ATOM 1052 CG LYS A 69 15.815 3.470 -13.743 1.00 0.00 C ATOM 1053 CD LYS A 69 15.096 4.599 -14.498 1.00 0.00 C ATOM 1054 CE LYS A 69 15.888 5.148 -15.691 1.00 0.00 C ATOM 1055 NZ LYS A 69 16.242 4.089 -16.652 1.00 0.00 N ATOM 0 H LYS A 69 16.404 3.920 -10.970 1.00 0.00 H new ATOM 0 HA LYS A 69 17.614 1.931 -12.588 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.159 4.913 -12.860 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.887 3.946 -14.127 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.904 2.597 -14.390 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.218 3.169 -12.882 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.133 4.231 -14.852 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.891 5.414 -13.804 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.299 5.914 -16.196 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.797 5.630 -15.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 16.702 4.514 -17.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 16.894 3.416 -16.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 15.380 3.589 -16.951 1.00 0.00 H new ATOM 1069 N TRP A 70 19.671 4.162 -11.252 1.00 0.00 N ATOM 1070 CA TRP A 70 21.069 4.320 -10.859 1.00 0.00 C ATOM 1071 C TRP A 70 21.598 3.047 -10.190 1.00 0.00 C ATOM 1072 O TRP A 70 22.667 2.558 -10.547 1.00 0.00 O ATOM 1073 CB TRP A 70 21.233 5.529 -9.931 1.00 0.00 C ATOM 1074 CG TRP A 70 22.596 5.708 -9.335 1.00 0.00 C ATOM 1075 CD1 TRP A 70 23.583 6.474 -9.844 1.00 0.00 C ATOM 1076 CD2 TRP A 70 23.124 5.168 -8.086 1.00 0.00 C ATOM 1077 NE1 TRP A 70 24.675 6.442 -9.005 1.00 0.00 N ATOM 1078 CE2 TRP A 70 24.455 5.642 -7.904 1.00 0.00 C ATOM 1079 CE3 TRP A 70 22.598 4.345 -7.073 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 25.228 5.299 -6.781 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 23.343 4.029 -5.923 1.00 0.00 C ATOM 1082 CH2 TRP A 70 24.648 4.512 -5.773 1.00 0.00 C ATOM 0 H TRP A 70 19.049 4.893 -10.906 1.00 0.00 H new ATOM 0 HA TRP A 70 21.657 4.495 -11.760 1.00 0.00 H new ATOM 0 HB2 TRP A 70 20.979 6.430 -10.489 1.00 0.00 H new ATOM 0 HB3 TRP A 70 20.510 5.442 -9.120 1.00 0.00 H new ATOM 0 HD1 TRP A 70 23.526 7.028 -10.769 1.00 0.00 H new ATOM 0 HE1 TRP A 70 25.543 6.950 -9.178 1.00 0.00 H new ATOM 0 HE3 TRP A 70 21.600 3.947 -7.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.251 5.635 -6.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 22.906 3.411 -5.152 1.00 0.00 H new ATOM 0 HH2 TRP A 70 25.210 4.279 -4.881 1.00 0.00 H new ATOM 1093 N LEU A 71 20.859 2.518 -9.210 1.00 0.00 N ATOM 1094 CA LEU A 71 21.287 1.374 -8.415 1.00 0.00 C ATOM 1095 C LEU A 71 21.481 0.182 -9.347 1.00 0.00 C ATOM 1096 O LEU A 71 22.527 -0.460 -9.328 1.00 0.00 O ATOM 1097 CB LEU A 71 20.253 1.050 -7.316 1.00 0.00 C ATOM 1098 CG LEU A 71 20.809 1.189 -5.888 1.00 0.00 C ATOM 1099 CD1 LEU A 71 19.673 0.958 -4.885 1.00 0.00 C ATOM 1100 CD2 LEU A 71 21.929 0.182 -5.604 1.00 0.00 C ATOM 0 H LEU A 71 19.941 2.878 -8.948 1.00 0.00 H new ATOM 0 HA LEU A 71 22.228 1.606 -7.915 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.395 1.713 -7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 71 19.890 0.032 -7.458 1.00 0.00 H new ATOM 0 HG LEU A 71 21.224 2.192 -5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.058 1.055 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 71 18.889 1.697 -5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.263 -0.042 -5.024 1.00 0.00 H new ATOM 0 HD21 LEU A 71 22.290 0.318 -4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 71 21.545 -0.832 -5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 71 22.749 0.343 -6.304 1.00 0.00 H new ATOM 1112 N ASN A 72 20.471 -0.096 -10.176 1.00 0.00 N ATOM 1113 CA ASN A 72 20.520 -1.158 -11.169 1.00 0.00 C ATOM 1114 C ASN A 72 21.743 -1.002 -12.072 1.00 0.00 C ATOM 1115 O ASN A 72 22.524 -1.939 -12.218 1.00 0.00 O ATOM 1116 CB ASN A 72 19.226 -1.158 -11.991 1.00 0.00 C ATOM 1117 CG ASN A 72 19.300 -2.163 -13.134 1.00 0.00 C ATOM 1118 OD1 ASN A 72 19.371 -1.785 -14.297 1.00 0.00 O ATOM 1119 ND2 ASN A 72 19.291 -3.455 -12.818 1.00 0.00 N ATOM 0 H ASN A 72 19.590 0.418 -10.172 1.00 0.00 H new ATOM 0 HA ASN A 72 20.609 -2.116 -10.657 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.382 -1.399 -11.345 1.00 0.00 H new ATOM 0 HB3 ASN A 72 19.046 -0.160 -12.391 1.00 0.00 H new ATOM 0 HD21 ASN A 72 19.344 -4.160 -13.553 1.00 0.00 H new ATOM 0 HD22 ASN A 72 19.231 -3.741 -11.841 1.00 0.00 H new ATOM 1126 N ASP A 73 21.910 0.184 -12.666 1.00 0.00 N ATOM 1127 CA ASP A 73 23.017 0.481 -13.567 1.00 0.00 C ATOM 1128 C ASP A 73 24.362 0.230 -12.883 1.00 0.00 C ATOM 1129 O ASP A 73 25.209 -0.477 -13.422 1.00 0.00 O ATOM 1130 CB ASP A 73 22.909 1.930 -14.059 1.00 0.00 C ATOM 1131 CG ASP A 73 24.048 2.276 -15.011 1.00 0.00 C ATOM 1132 OD1 ASP A 73 25.095 2.736 -14.506 1.00 0.00 O ATOM 1133 OD2 ASP A 73 23.850 2.076 -16.229 1.00 0.00 O ATOM 0 H ASP A 73 21.272 0.969 -12.531 1.00 0.00 H new ATOM 0 HA ASP A 73 22.960 -0.186 -14.427 1.00 0.00 H new ATOM 0 HB2 ASP A 73 21.954 2.075 -14.563 1.00 0.00 H new ATOM 0 HB3 ASP A 73 22.926 2.608 -13.206 1.00 0.00 H new ATOM 1138 N ALA A 74 24.554 0.810 -11.695 1.00 0.00 N ATOM 1139 CA ALA A 74 25.770 0.645 -10.912 1.00 0.00 C ATOM 1140 C ALA A 74 26.019 -0.837 -10.629 1.00 0.00 C ATOM 1141 O ALA A 74 27.115 -1.345 -10.850 1.00 0.00 O ATOM 1142 CB ALA A 74 25.658 1.451 -9.614 1.00 0.00 C ATOM 0 H ALA A 74 23.860 1.411 -11.251 1.00 0.00 H new ATOM 0 HA ALA A 74 26.622 1.022 -11.477 1.00 0.00 H new ATOM 0 HB1 ALA A 74 26.569 1.327 -9.029 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.520 2.506 -9.851 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.805 1.095 -9.037 1.00 0.00 H new