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 Set 1.1: A 45 THR OG1 : rot 180:sc= 0.185 USER MOD Set 1.2: A 46 THR OG1 : rot -83:sc= 0.244 USER MOD Set 2.1: A 40 ASN : amide:sc= 0.975 K(o=1.5,f=-1.5) USER MOD Set 2.2: A 43 SER OG : rot 74:sc= 0.483 USER MOD Single : A 11 GLN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 133:sc= 0.441 (180deg=-0.0735) USER MOD Single : A 15 THR OG1 : rot 85:sc= 1.19 USER MOD Single : A 17 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.021) USER MOD Single : A 18 GLN : amide:sc= 0.894 K(o=0.89,f=-0.16) USER MOD Single : A 22 LYS NZ :NH3+ 170:sc=-0.00613 (180deg=-0.113) USER MOD Single : A 34 MET CE :methyl -141:sc= -0.632 (180deg=-1.66) USER MOD Single : A 36 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.106) USER MOD Single : A 38 TYR OH : rot -164:sc= 1.26 USER MOD Single : A 44 GLN : amide:sc= -3 K(o=-3,f=-5.7!) USER MOD Single : A 48 SER OG : rot -28:sc= 1.11 USER MOD Single : A 54 ASN : amide:sc= 0.346 K(o=0.35,f=-6.9!) USER MOD Single : A 56 SER OG : rot -42:sc= 1.2 USER MOD Single : A 58 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0165) USER MOD Single : A 59 ASN : amide:sc=-0.00196 K(o=-0.002,f=-0.99) USER MOD Single : A 60 MET CE :methyl 160:sc= -1.21 (180deg=-2.06) USER MOD Single : A 61 CYS SG : rot -29:sc= 0.205 USER MOD Single : A 62 LYS NZ :NH3+ -173:sc= -0.01 (180deg=-0.0926) USER MOD Single : A 64 LYS NZ :NH3+ -153:sc= 0.601 (180deg=0.0902) USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.054) USER MOD Single : A 72 ASN : amide:sc= 0.129 X(o=0.13,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 15 N LEU A 6 3.596 6.029 -0.564 1.00 0.00 N ATOM 16 CA LEU A 6 4.707 6.500 0.251 1.00 0.00 C ATOM 17 C LEU A 6 5.452 5.350 0.937 1.00 0.00 C ATOM 18 O LEU A 6 6.681 5.365 0.973 1.00 0.00 O ATOM 19 CB LEU A 6 4.209 7.522 1.284 1.00 0.00 C ATOM 20 CG LEU A 6 3.955 8.921 0.695 1.00 0.00 C ATOM 21 CD1 LEU A 6 2.786 8.977 -0.295 1.00 0.00 C ATOM 22 CD2 LEU A 6 3.682 9.902 1.843 1.00 0.00 C ATOM 0 HA LEU A 6 5.421 6.985 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.286 7.153 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.943 7.602 2.086 1.00 0.00 H new ATOM 0 HG LEU A 6 4.851 9.190 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.671 9.996 -0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.985 8.307 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.869 8.668 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.501 10.897 1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.806 9.573 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.545 9.934 2.508 1.00 0.00 H new ATOM 34 N GLU A 7 4.728 4.347 1.448 1.00 0.00 N ATOM 35 CA GLU A 7 5.312 3.158 2.060 1.00 0.00 C ATOM 36 C GLU A 7 6.423 2.552 1.192 1.00 0.00 C ATOM 37 O GLU A 7 7.451 2.115 1.708 1.00 0.00 O ATOM 38 CB GLU A 7 4.219 2.119 2.332 1.00 0.00 C ATOM 39 CG GLU A 7 3.284 2.566 3.465 1.00 0.00 C ATOM 40 CD GLU A 7 2.131 1.583 3.642 1.00 0.00 C ATOM 41 OE1 GLU A 7 2.418 0.453 4.094 1.00 0.00 O ATOM 42 OE2 GLU A 7 0.991 1.972 3.313 1.00 0.00 O ATOM 0 H GLU A 7 3.708 4.343 1.446 1.00 0.00 H new ATOM 0 HA GLU A 7 5.767 3.460 3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.639 1.954 1.424 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.679 1.166 2.594 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.846 2.644 4.396 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.890 3.558 3.246 1.00 0.00 H new ATOM 49 N GLU A 8 6.225 2.514 -0.128 1.00 0.00 N ATOM 50 CA GLU A 8 7.240 2.018 -1.044 1.00 0.00 C ATOM 51 C GLU A 8 8.468 2.926 -0.997 1.00 0.00 C ATOM 52 O GLU A 8 9.598 2.450 -0.976 1.00 0.00 O ATOM 53 CB GLU A 8 6.679 1.961 -2.470 1.00 0.00 C ATOM 54 CG GLU A 8 5.416 1.097 -2.570 1.00 0.00 C ATOM 55 CD GLU A 8 4.868 1.107 -3.991 1.00 0.00 C ATOM 56 OE1 GLU A 8 4.498 2.214 -4.440 1.00 0.00 O ATOM 57 OE2 GLU A 8 4.837 0.018 -4.603 1.00 0.00 O ATOM 0 H GLU A 8 5.366 2.823 -0.582 1.00 0.00 H new ATOM 0 HA GLU A 8 7.531 1.012 -0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.451 2.972 -2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.441 1.564 -3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.644 0.074 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.659 1.470 -1.880 1.00 0.00 H new ATOM 64 N LEU A 9 8.238 4.240 -0.998 1.00 0.00 N ATOM 65 CA LEU A 9 9.275 5.256 -1.080 1.00 0.00 C ATOM 66 C LEU A 9 10.148 5.226 0.174 1.00 0.00 C ATOM 67 O LEU A 9 11.368 5.187 0.044 1.00 0.00 O ATOM 68 CB LEU A 9 8.651 6.645 -1.319 1.00 0.00 C ATOM 69 CG LEU A 9 7.609 6.675 -2.457 1.00 0.00 C ATOM 70 CD1 LEU A 9 7.020 8.082 -2.607 1.00 0.00 C ATOM 71 CD2 LEU A 9 8.209 6.238 -3.798 1.00 0.00 C ATOM 0 H LEU A 9 7.298 4.632 -0.940 1.00 0.00 H new ATOM 0 HA LEU A 9 9.920 5.040 -1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.178 6.983 -0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.446 7.355 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 9 6.824 5.969 -2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.287 8.086 -3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.536 8.375 -1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.818 8.788 -2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.440 6.274 -4.570 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.025 6.908 -4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.589 5.220 -3.712 1.00 0.00 H new ATOM 83 N GLU A 10 9.560 5.219 1.379 1.00 0.00 N ATOM 84 CA GLU A 10 10.364 5.151 2.604 1.00 0.00 C ATOM 85 C GLU A 10 11.213 3.879 2.629 1.00 0.00 C ATOM 86 O GLU A 10 12.431 3.943 2.803 1.00 0.00 O ATOM 87 CB GLU A 10 9.539 5.275 3.902 1.00 0.00 C ATOM 88 CG GLU A 10 8.071 4.862 3.802 1.00 0.00 C ATOM 89 CD GLU A 10 7.409 4.797 5.173 1.00 0.00 C ATOM 90 OE1 GLU A 10 7.321 5.870 5.808 1.00 0.00 O ATOM 91 OE2 GLU A 10 7.008 3.679 5.559 1.00 0.00 O ATOM 0 H GLU A 10 8.552 5.259 1.529 1.00 0.00 H new ATOM 0 HA GLU A 10 11.017 6.023 2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.015 4.668 4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.583 6.310 4.240 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.535 5.572 3.173 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.999 3.889 3.317 1.00 0.00 H new ATOM 98 N GLN A 11 10.564 2.722 2.473 1.00 0.00 N ATOM 99 CA GLN A 11 11.257 1.441 2.487 1.00 0.00 C ATOM 100 C GLN A 11 12.373 1.441 1.444 1.00 0.00 C ATOM 101 O GLN A 11 13.522 1.133 1.762 1.00 0.00 O ATOM 102 CB GLN A 11 10.262 0.300 2.248 1.00 0.00 C ATOM 103 CG GLN A 11 9.347 0.105 3.464 1.00 0.00 C ATOM 104 CD GLN A 11 8.285 -0.952 3.190 1.00 0.00 C ATOM 105 OE1 GLN A 11 8.335 -2.054 3.724 1.00 0.00 O ATOM 106 NE2 GLN A 11 7.317 -0.622 2.344 1.00 0.00 N ATOM 0 H GLN A 11 9.556 2.651 2.335 1.00 0.00 H new ATOM 0 HA GLN A 11 11.712 1.285 3.465 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.659 0.517 1.366 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.804 -0.623 2.044 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.943 -0.190 4.328 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.867 1.050 3.716 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.306 0.305 1.918 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.584 -1.295 2.120 1.00 0.00 H new ATOM 115 N PHE A 12 12.046 1.814 0.204 1.00 0.00 N ATOM 116 CA PHE A 12 13.017 1.912 -0.872 1.00 0.00 C ATOM 117 C PHE A 12 14.178 2.827 -0.480 1.00 0.00 C ATOM 118 O PHE A 12 15.327 2.435 -0.637 1.00 0.00 O ATOM 119 CB PHE A 12 12.353 2.385 -2.167 1.00 0.00 C ATOM 120 CG PHE A 12 13.355 2.668 -3.267 1.00 0.00 C ATOM 121 CD1 PHE A 12 13.981 1.605 -3.943 1.00 0.00 C ATOM 122 CD2 PHE A 12 13.820 3.982 -3.448 1.00 0.00 C ATOM 123 CE1 PHE A 12 15.040 1.863 -4.831 1.00 0.00 C ATOM 124 CE2 PHE A 12 14.875 4.241 -4.341 1.00 0.00 C ATOM 125 CZ PHE A 12 15.479 3.181 -5.040 1.00 0.00 C ATOM 0 H PHE A 12 11.095 2.056 -0.076 1.00 0.00 H new ATOM 0 HA PHE A 12 13.424 0.917 -1.051 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.649 1.626 -2.508 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.775 3.287 -1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 12 13.648 0.591 -3.780 1.00 0.00 H new ATOM 0 HD2 PHE A 12 13.366 4.794 -2.900 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.517 1.047 -5.353 1.00 0.00 H new ATOM 0 HE2 PHE A 12 15.221 5.253 -4.490 1.00 0.00 H new ATOM 0 HZ PHE A 12 16.280 3.380 -5.737 1.00 0.00 H new ATOM 135 N ALA A 13 13.904 4.031 0.026 1.00 0.00 N ATOM 136 CA ALA A 13 14.940 4.978 0.422 1.00 0.00 C ATOM 137 C ALA A 13 15.890 4.344 1.440 1.00 0.00 C ATOM 138 O ALA A 13 17.110 4.362 1.277 1.00 0.00 O ATOM 139 CB ALA A 13 14.296 6.248 0.989 1.00 0.00 C ATOM 0 H ALA A 13 12.955 4.374 0.172 1.00 0.00 H new ATOM 0 HA ALA A 13 15.526 5.248 -0.456 1.00 0.00 H new ATOM 0 HB1 ALA A 13 15.075 6.951 1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.663 6.705 0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.691 5.992 1.859 1.00 0.00 H new ATOM 145 N LYS A 14 15.329 3.766 2.502 1.00 0.00 N ATOM 146 CA LYS A 14 16.121 3.142 3.553 1.00 0.00 C ATOM 147 C LYS A 14 16.927 1.962 2.997 1.00 0.00 C ATOM 148 O LYS A 14 18.112 1.813 3.302 1.00 0.00 O ATOM 149 CB LYS A 14 15.202 2.759 4.715 1.00 0.00 C ATOM 150 CG LYS A 14 14.671 4.041 5.377 1.00 0.00 C ATOM 151 CD LYS A 14 13.639 3.702 6.455 1.00 0.00 C ATOM 152 CE LYS A 14 13.218 4.946 7.250 1.00 0.00 C ATOM 153 NZ LYS A 14 12.666 6.007 6.387 1.00 0.00 N ATOM 0 H LYS A 14 14.322 3.719 2.654 1.00 0.00 H new ATOM 0 HA LYS A 14 16.858 3.846 3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.373 2.150 4.354 1.00 0.00 H new ATOM 0 HB3 LYS A 14 15.746 2.157 5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 14 15.497 4.598 5.819 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.219 4.686 4.623 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.761 3.253 5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.054 2.959 7.135 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.473 4.663 7.994 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.079 5.335 7.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.784 6.369 6.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.355 6.782 6.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.469 5.619 5.442 1.00 0.00 H new ATOM 167 N THR A 15 16.304 1.142 2.150 1.00 0.00 N ATOM 168 CA THR A 15 16.968 0.019 1.489 1.00 0.00 C ATOM 169 C THR A 15 18.119 0.524 0.614 1.00 0.00 C ATOM 170 O THR A 15 19.223 -0.020 0.641 1.00 0.00 O ATOM 171 CB THR A 15 15.952 -0.799 0.682 1.00 0.00 C ATOM 172 OG1 THR A 15 14.904 -1.219 1.530 1.00 0.00 O ATOM 173 CG2 THR A 15 16.585 -2.049 0.065 1.00 0.00 C ATOM 0 H THR A 15 15.319 1.239 1.902 1.00 0.00 H new ATOM 0 HA THR A 15 17.395 -0.641 2.244 1.00 0.00 H new ATOM 0 HB THR A 15 15.583 -0.157 -0.118 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.232 -0.509 1.596 1.00 0.00 H new ATOM 0 HG21 THR A 15 15.831 -2.599 -0.498 1.00 0.00 H new ATOM 0 HG22 THR A 15 17.394 -1.755 -0.604 1.00 0.00 H new ATOM 0 HG23 THR A 15 16.982 -2.684 0.857 1.00 0.00 H new ATOM 181 N PHE A 16 17.861 1.585 -0.148 1.00 0.00 N ATOM 182 CA PHE A 16 18.834 2.260 -0.983 1.00 0.00 C ATOM 183 C PHE A 16 20.021 2.687 -0.120 1.00 0.00 C ATOM 184 O PHE A 16 21.165 2.396 -0.460 1.00 0.00 O ATOM 185 CB PHE A 16 18.175 3.427 -1.740 1.00 0.00 C ATOM 186 CG PHE A 16 19.183 4.272 -2.481 1.00 0.00 C ATOM 187 CD1 PHE A 16 19.665 3.836 -3.726 1.00 0.00 C ATOM 188 CD2 PHE A 16 19.799 5.357 -1.829 1.00 0.00 C ATOM 189 CE1 PHE A 16 20.802 4.433 -4.286 1.00 0.00 C ATOM 190 CE2 PHE A 16 20.935 5.959 -2.396 1.00 0.00 C ATOM 191 CZ PHE A 16 21.452 5.481 -3.612 1.00 0.00 C ATOM 0 H PHE A 16 16.934 2.008 -0.198 1.00 0.00 H new ATOM 0 HA PHE A 16 19.215 1.585 -1.749 1.00 0.00 H new ATOM 0 HB2 PHE A 16 17.445 3.032 -2.447 1.00 0.00 H new ATOM 0 HB3 PHE A 16 17.629 4.053 -1.034 1.00 0.00 H new ATOM 0 HD1 PHE A 16 19.159 3.040 -4.252 1.00 0.00 H new ATOM 0 HD2 PHE A 16 19.400 5.726 -0.896 1.00 0.00 H new ATOM 0 HE1 PHE A 16 21.180 4.087 -5.237 1.00 0.00 H new ATOM 0 HE2 PHE A 16 21.411 6.790 -1.897 1.00 0.00 H new ATOM 0 HZ PHE A 16 22.348 5.918 -4.028 1.00 0.00 H new ATOM 201 N LYS A 17 19.757 3.322 1.027 1.00 0.00 N ATOM 202 CA LYS A 17 20.809 3.641 1.982 1.00 0.00 C ATOM 203 C LYS A 17 21.588 2.386 2.387 1.00 0.00 C ATOM 204 O LYS A 17 22.815 2.424 2.415 1.00 0.00 O ATOM 205 CB LYS A 17 20.234 4.399 3.184 1.00 0.00 C ATOM 206 CG LYS A 17 21.310 4.782 4.205 1.00 0.00 C ATOM 207 CD LYS A 17 20.720 5.713 5.274 1.00 0.00 C ATOM 208 CE LYS A 17 21.705 5.984 6.417 1.00 0.00 C ATOM 209 NZ LYS A 17 22.938 6.637 5.941 1.00 0.00 N ATOM 0 H LYS A 17 18.824 3.622 1.311 1.00 0.00 H new ATOM 0 HA LYS A 17 21.528 4.305 1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.732 5.301 2.834 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.479 3.782 3.671 1.00 0.00 H new ATOM 0 HG2 LYS A 17 21.711 3.884 4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 17 22.141 5.276 3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 17 20.434 6.658 4.812 1.00 0.00 H new ATOM 0 HD3 LYS A 17 19.811 5.268 5.679 1.00 0.00 H new ATOM 0 HE2 LYS A 17 21.226 6.615 7.166 1.00 0.00 H new ATOM 0 HE3 LYS A 17 21.959 5.044 6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 23.547 6.863 6.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 23.444 5.996 5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 22.694 7.513 5.436 1.00 0.00 H new ATOM 223 N GLN A 18 20.916 1.269 2.689 1.00 0.00 N ATOM 224 CA GLN A 18 21.639 0.050 3.046 1.00 0.00 C ATOM 225 C GLN A 18 22.568 -0.382 1.904 1.00 0.00 C ATOM 226 O GLN A 18 23.749 -0.633 2.130 1.00 0.00 O ATOM 227 CB GLN A 18 20.707 -1.099 3.463 1.00 0.00 C ATOM 228 CG GLN A 18 19.695 -0.766 4.570 1.00 0.00 C ATOM 229 CD GLN A 18 20.224 0.215 5.614 1.00 0.00 C ATOM 230 OE1 GLN A 18 21.023 -0.147 6.468 1.00 0.00 O ATOM 231 NE2 GLN A 18 19.780 1.467 5.556 1.00 0.00 N ATOM 0 H GLN A 18 19.899 1.186 2.693 1.00 0.00 H new ATOM 0 HA GLN A 18 22.244 0.288 3.921 1.00 0.00 H new ATOM 0 HB2 GLN A 18 20.158 -1.435 2.583 1.00 0.00 H new ATOM 0 HB3 GLN A 18 21.320 -1.937 3.796 1.00 0.00 H new ATOM 0 HG2 GLN A 18 18.797 -0.348 4.115 1.00 0.00 H new ATOM 0 HG3 GLN A 18 19.400 -1.689 5.069 1.00 0.00 H new ATOM 0 HE21 GLN A 18 19.114 1.739 4.833 1.00 0.00 H new ATOM 0 HE22 GLN A 18 20.105 2.155 6.235 1.00 0.00 H new ATOM 240 N ARG A 19 22.053 -0.449 0.674 1.00 0.00 N ATOM 241 CA ARG A 19 22.859 -0.783 -0.498 1.00 0.00 C ATOM 242 C ARG A 19 24.057 0.166 -0.620 1.00 0.00 C ATOM 243 O ARG A 19 25.189 -0.270 -0.823 1.00 0.00 O ATOM 244 CB ARG A 19 21.993 -0.738 -1.766 1.00 0.00 C ATOM 245 CG ARG A 19 20.986 -1.895 -1.837 1.00 0.00 C ATOM 246 CD ARG A 19 21.622 -3.243 -2.212 1.00 0.00 C ATOM 247 NE ARG A 19 22.029 -3.297 -3.626 1.00 0.00 N ATOM 248 CZ ARG A 19 23.271 -3.148 -4.113 1.00 0.00 C ATOM 249 NH1 ARG A 19 24.285 -2.757 -3.332 1.00 0.00 N ATOM 250 NH2 ARG A 19 23.502 -3.391 -5.407 1.00 0.00 N ATOM 0 H ARG A 19 21.070 -0.274 0.465 1.00 0.00 H new ATOM 0 HA ARG A 19 23.245 -1.796 -0.379 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.455 0.209 -1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 19 22.639 -0.769 -2.643 1.00 0.00 H new ATOM 0 HG2 ARG A 19 20.490 -1.993 -0.872 1.00 0.00 H new ATOM 0 HG3 ARG A 19 20.215 -1.650 -2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 19 22.492 -3.420 -1.579 1.00 0.00 H new ATOM 0 HD3 ARG A 19 20.912 -4.045 -2.010 1.00 0.00 H new ATOM 0 HE ARG A 19 21.289 -3.465 -4.308 1.00 0.00 H new ATOM 0 HH11 ARG A 19 24.123 -2.565 -2.343 1.00 0.00 H new ATOM 0 HH12 ARG A 19 25.220 -2.651 -3.725 1.00 0.00 H new ATOM 0 HH21 ARG A 19 22.738 -3.687 -6.015 1.00 0.00 H new ATOM 0 HH22 ARG A 19 24.442 -3.281 -5.787 1.00 0.00 H new ATOM 264 N ARG A 20 23.805 1.466 -0.480 1.00 0.00 N ATOM 265 CA ARG A 20 24.821 2.503 -0.536 1.00 0.00 C ATOM 266 C ARG A 20 25.907 2.266 0.525 1.00 0.00 C ATOM 267 O ARG A 20 27.100 2.372 0.231 1.00 0.00 O ATOM 268 CB ARG A 20 24.130 3.861 -0.370 1.00 0.00 C ATOM 269 CG ARG A 20 25.116 4.998 -0.614 1.00 0.00 C ATOM 270 CD ARG A 20 24.473 6.374 -0.441 1.00 0.00 C ATOM 271 NE ARG A 20 23.793 6.531 0.850 1.00 0.00 N ATOM 272 CZ ARG A 20 24.373 6.957 1.978 1.00 0.00 C ATOM 273 NH1 ARG A 20 25.695 6.854 2.169 1.00 0.00 N ATOM 274 NH2 ARG A 20 23.619 7.547 2.909 1.00 0.00 N ATOM 0 H ARG A 20 22.866 1.831 -0.321 1.00 0.00 H new ATOM 0 HA ARG A 20 25.331 2.482 -1.499 1.00 0.00 H new ATOM 0 HB2 ARG A 20 23.297 3.939 -1.068 1.00 0.00 H new ATOM 0 HB3 ARG A 20 23.713 3.943 0.634 1.00 0.00 H new ATOM 0 HG2 ARG A 20 25.955 4.902 0.076 1.00 0.00 H new ATOM 0 HG3 ARG A 20 25.521 4.914 -1.622 1.00 0.00 H new ATOM 0 HD2 ARG A 20 25.240 7.142 -0.537 1.00 0.00 H new ATOM 0 HD3 ARG A 20 23.756 6.538 -1.245 1.00 0.00 H new ATOM 0 HE ARG A 20 22.801 6.297 0.891 1.00 0.00 H new ATOM 0 HH11 ARG A 20 26.284 6.443 1.445 1.00 0.00 H new ATOM 0 HH12 ARG A 20 26.112 7.187 3.038 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.618 7.667 2.754 1.00 0.00 H new ATOM 0 HH22 ARG A 20 24.044 7.878 3.775 1.00 0.00 H new ATOM 288 N ILE A 21 25.497 1.940 1.754 1.00 0.00 N ATOM 289 CA ILE A 21 26.408 1.607 2.841 1.00 0.00 C ATOM 290 C ILE A 21 27.216 0.361 2.477 1.00 0.00 C ATOM 291 O ILE A 21 28.434 0.368 2.631 1.00 0.00 O ATOM 292 CB ILE A 21 25.642 1.463 4.173 1.00 0.00 C ATOM 293 CG1 ILE A 21 25.180 2.854 4.643 1.00 0.00 C ATOM 294 CG2 ILE A 21 26.521 0.811 5.255 1.00 0.00 C ATOM 295 CD1 ILE A 21 24.156 2.786 5.780 1.00 0.00 C ATOM 0 H ILE A 21 24.513 1.901 2.020 1.00 0.00 H new ATOM 0 HA ILE A 21 27.118 2.421 2.986 1.00 0.00 H new ATOM 0 HB ILE A 21 24.779 0.818 4.010 1.00 0.00 H new ATOM 0 HG12 ILE A 21 26.046 3.427 4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 21 24.745 3.392 3.800 1.00 0.00 H new ATOM 0 HG21 ILE A 21 25.953 0.723 6.181 1.00 0.00 H new ATOM 0 HG22 ILE A 21 26.830 -0.180 4.924 1.00 0.00 H new ATOM 0 HG23 ILE A 21 27.403 1.428 5.427 1.00 0.00 H new ATOM 0 HD11 ILE A 21 23.867 3.796 6.070 1.00 0.00 H new ATOM 0 HD12 ILE A 21 23.275 2.239 5.444 1.00 0.00 H new ATOM 0 HD13 ILE A 21 24.596 2.275 6.636 1.00 0.00 H new ATOM 307 N LYS A 22 26.575 -0.697 1.971 1.00 0.00 N ATOM 308 CA LYS A 22 27.285 -1.897 1.534 1.00 0.00 C ATOM 309 C LYS A 22 28.330 -1.554 0.464 1.00 0.00 C ATOM 310 O LYS A 22 29.447 -2.064 0.506 1.00 0.00 O ATOM 311 CB LYS A 22 26.300 -2.964 1.033 1.00 0.00 C ATOM 312 CG LYS A 22 25.394 -3.529 2.138 1.00 0.00 C ATOM 313 CD LYS A 22 26.145 -4.494 3.069 1.00 0.00 C ATOM 314 CE LYS A 22 25.229 -5.058 4.162 1.00 0.00 C ATOM 315 NZ LYS A 22 24.145 -5.886 3.607 1.00 0.00 N ATOM 0 H LYS A 22 25.563 -0.744 1.855 1.00 0.00 H new ATOM 0 HA LYS A 22 27.814 -2.312 2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 22 25.678 -2.533 0.249 1.00 0.00 H new ATOM 0 HB3 LYS A 22 26.861 -3.782 0.581 1.00 0.00 H new ATOM 0 HG2 LYS A 22 24.984 -2.707 2.724 1.00 0.00 H new ATOM 0 HG3 LYS A 22 24.550 -4.048 1.683 1.00 0.00 H new ATOM 0 HD2 LYS A 22 26.561 -5.314 2.484 1.00 0.00 H new ATOM 0 HD3 LYS A 22 26.985 -3.974 3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 22 25.820 -5.655 4.857 1.00 0.00 H new ATOM 0 HE3 LYS A 22 24.799 -4.235 4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 23.656 -6.381 4.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 23.468 -5.279 3.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 24.544 -6.584 2.947 1.00 0.00 H new ATOM 329 N LEU A 23 27.987 -0.667 -0.474 1.00 0.00 N ATOM 330 CA LEU A 23 28.929 -0.160 -1.470 1.00 0.00 C ATOM 331 C LEU A 23 30.007 0.747 -0.855 1.00 0.00 C ATOM 332 O LEU A 23 30.998 1.052 -1.514 1.00 0.00 O ATOM 333 CB LEU A 23 28.163 0.578 -2.578 1.00 0.00 C ATOM 334 CG LEU A 23 27.357 -0.380 -3.470 1.00 0.00 C ATOM 335 CD1 LEU A 23 26.274 0.394 -4.232 1.00 0.00 C ATOM 336 CD2 LEU A 23 28.280 -1.081 -4.475 1.00 0.00 C ATOM 0 H LEU A 23 27.047 -0.281 -0.563 1.00 0.00 H new ATOM 0 HA LEU A 23 29.452 -1.016 -1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 23 27.488 1.305 -2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.868 1.137 -3.193 1.00 0.00 H new ATOM 0 HG LEU A 23 26.888 -1.129 -2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.709 -0.294 -4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.600 0.872 -3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.742 1.155 -4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 23 27.693 -1.756 -5.099 1.00 0.00 H new ATOM 0 HD22 LEU A 23 28.766 -0.335 -5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 23 29.038 -1.651 -3.937 1.00 0.00 H new ATOM 348 N GLY A 24 29.832 1.192 0.391 1.00 0.00 N ATOM 349 CA GLY A 24 30.749 2.095 1.065 1.00 0.00 C ATOM 350 C GLY A 24 30.723 3.483 0.434 1.00 0.00 C ATOM 351 O GLY A 24 31.723 4.198 0.466 1.00 0.00 O ATOM 0 H GLY A 24 29.032 0.926 0.965 1.00 0.00 H new ATOM 0 HA2 GLY A 24 30.482 2.167 2.119 1.00 0.00 H new ATOM 0 HA3 GLY A 24 31.760 1.691 1.019 1.00 0.00 H new ATOM 355 N PHE A 25 29.581 3.879 -0.137 1.00 0.00 N ATOM 356 CA PHE A 25 29.440 5.161 -0.810 1.00 0.00 C ATOM 357 C PHE A 25 28.814 6.177 0.139 1.00 0.00 C ATOM 358 O PHE A 25 27.954 5.845 0.954 1.00 0.00 O ATOM 359 CB PHE A 25 28.608 4.992 -2.085 1.00 0.00 C ATOM 360 CG PHE A 25 29.201 4.157 -3.206 1.00 0.00 C ATOM 361 CD1 PHE A 25 30.565 3.801 -3.228 1.00 0.00 C ATOM 362 CD2 PHE A 25 28.387 3.840 -4.311 1.00 0.00 C ATOM 363 CE1 PHE A 25 31.081 3.054 -4.301 1.00 0.00 C ATOM 364 CE2 PHE A 25 28.910 3.118 -5.396 1.00 0.00 C ATOM 365 CZ PHE A 25 30.253 2.706 -5.382 1.00 0.00 C ATOM 0 H PHE A 25 28.731 3.315 -0.142 1.00 0.00 H new ATOM 0 HA PHE A 25 30.422 5.534 -1.100 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.652 4.549 -1.806 1.00 0.00 H new ATOM 0 HB3 PHE A 25 28.396 5.985 -2.482 1.00 0.00 H new ATOM 0 HD1 PHE A 25 31.214 4.103 -2.419 1.00 0.00 H new ATOM 0 HD2 PHE A 25 27.354 4.154 -4.324 1.00 0.00 H new ATOM 0 HE1 PHE A 25 32.116 2.747 -4.295 1.00 0.00 H new ATOM 0 HE2 PHE A 25 28.280 2.880 -6.240 1.00 0.00 H new ATOM 0 HZ PHE A 25 30.648 2.123 -6.200 1.00 0.00 H new ATOM 413 N ASP A 29 29.953 10.631 -3.504 1.00 0.00 N ATOM 414 CA ASP A 29 30.182 9.474 -4.368 1.00 0.00 C ATOM 415 C ASP A 29 28.949 9.249 -5.242 1.00 0.00 C ATOM 416 O ASP A 29 29.011 9.355 -6.468 1.00 0.00 O ATOM 417 CB ASP A 29 30.512 8.220 -3.542 1.00 0.00 C ATOM 418 CG ASP A 29 30.799 7.025 -4.451 1.00 0.00 C ATOM 419 OD1 ASP A 29 29.833 6.545 -5.080 1.00 0.00 O ATOM 420 OD2 ASP A 29 31.981 6.623 -4.500 1.00 0.00 O ATOM 0 HA ASP A 29 31.043 9.671 -5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 29 31.377 8.415 -2.908 1.00 0.00 H new ATOM 0 HB3 ASP A 29 29.678 7.986 -2.880 1.00 0.00 H new ATOM 425 N VAL A 30 27.811 8.971 -4.595 1.00 0.00 N ATOM 426 CA VAL A 30 26.563 8.796 -5.317 1.00 0.00 C ATOM 427 C VAL A 30 26.253 10.065 -6.105 1.00 0.00 C ATOM 428 O VAL A 30 25.848 9.957 -7.253 1.00 0.00 O ATOM 429 CB VAL A 30 25.407 8.355 -4.402 1.00 0.00 C ATOM 430 CG1 VAL A 30 24.090 8.310 -5.185 1.00 0.00 C ATOM 431 CG2 VAL A 30 25.662 6.943 -3.861 1.00 0.00 C ATOM 0 H VAL A 30 27.737 8.865 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 30 26.680 7.976 -6.025 1.00 0.00 H new ATOM 0 HB VAL A 30 25.344 9.075 -3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 30 23.283 7.996 -4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 30 23.869 9.301 -5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 30 24.180 7.601 -6.008 1.00 0.00 H new ATOM 0 HG21 VAL A 30 24.835 6.646 -3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 30 25.742 6.244 -4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 30 26.590 6.935 -3.289 1.00 0.00 H new ATOM 441 N GLY A 31 26.490 11.249 -5.530 1.00 0.00 N ATOM 442 CA GLY A 31 26.340 12.521 -6.230 1.00 0.00 C ATOM 443 C GLY A 31 26.988 12.474 -7.613 1.00 0.00 C ATOM 444 O GLY A 31 26.320 12.671 -8.626 1.00 0.00 O ATOM 0 H GLY A 31 26.793 11.348 -4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 31 25.281 12.761 -6.330 1.00 0.00 H new ATOM 0 HA3 GLY A 31 26.793 13.318 -5.641 1.00 0.00 H new ATOM 448 N LEU A 32 28.284 12.168 -7.659 1.00 0.00 N ATOM 449 CA LEU A 32 29.047 12.085 -8.894 1.00 0.00 C ATOM 450 C LEU A 32 28.452 11.009 -9.795 1.00 0.00 C ATOM 451 O LEU A 32 28.300 11.190 -11.002 1.00 0.00 O ATOM 452 CB LEU A 32 30.507 11.762 -8.558 1.00 0.00 C ATOM 453 CG LEU A 32 31.489 12.086 -9.696 1.00 0.00 C ATOM 454 CD1 LEU A 32 31.686 13.598 -9.871 1.00 0.00 C ATOM 455 CD2 LEU A 32 32.845 11.442 -9.390 1.00 0.00 C ATOM 0 H LEU A 32 28.837 11.969 -6.825 1.00 0.00 H new ATOM 0 HA LEU A 32 29.005 13.037 -9.423 1.00 0.00 H new ATOM 0 HB2 LEU A 32 30.798 12.321 -7.669 1.00 0.00 H new ATOM 0 HB3 LEU A 32 30.588 10.704 -8.310 1.00 0.00 H new ATOM 0 HG LEU A 32 31.069 11.690 -10.621 1.00 0.00 H new ATOM 0 HD11 LEU A 32 32.387 13.782 -10.685 1.00 0.00 H new ATOM 0 HD12 LEU A 32 30.729 14.065 -10.104 1.00 0.00 H new ATOM 0 HD13 LEU A 32 32.082 14.023 -8.948 1.00 0.00 H new ATOM 0 HD21 LEU A 32 33.545 11.669 -10.194 1.00 0.00 H new ATOM 0 HD22 LEU A 32 33.231 11.837 -8.450 1.00 0.00 H new ATOM 0 HD23 LEU A 32 32.724 10.362 -9.308 1.00 0.00 H new ATOM 467 N ALA A 33 28.112 9.874 -9.191 1.00 0.00 N ATOM 468 CA ALA A 33 27.492 8.768 -9.901 1.00 0.00 C ATOM 469 C ALA A 33 26.156 9.166 -10.554 1.00 0.00 C ATOM 470 O ALA A 33 25.870 8.721 -11.663 1.00 0.00 O ATOM 471 CB ALA A 33 27.382 7.557 -8.977 1.00 0.00 C ATOM 0 H ALA A 33 28.260 9.699 -8.197 1.00 0.00 H new ATOM 0 HA ALA A 33 28.132 8.485 -10.736 1.00 0.00 H new ATOM 0 HB1 ALA A 33 26.917 6.731 -9.514 1.00 0.00 H new ATOM 0 HB2 ALA A 33 28.377 7.260 -8.646 1.00 0.00 H new ATOM 0 HB3 ALA A 33 26.774 7.815 -8.110 1.00 0.00 H new ATOM 477 N MET A 34 25.341 10.010 -9.908 1.00 0.00 N ATOM 478 CA MET A 34 24.166 10.606 -10.537 1.00 0.00 C ATOM 479 C MET A 34 24.631 11.535 -11.648 1.00 0.00 C ATOM 480 O MET A 34 24.104 11.508 -12.754 1.00 0.00 O ATOM 481 CB MET A 34 23.301 11.409 -9.547 1.00 0.00 C ATOM 482 CG MET A 34 22.920 10.747 -8.221 1.00 0.00 C ATOM 483 SD MET A 34 22.535 8.981 -8.221 1.00 0.00 S ATOM 484 CE MET A 34 21.237 8.983 -9.460 1.00 0.00 C ATOM 0 H MET A 34 25.481 10.295 -8.939 1.00 0.00 H new ATOM 0 HA MET A 34 23.550 9.794 -10.922 1.00 0.00 H new ATOM 0 HB2 MET A 34 23.829 12.335 -9.318 1.00 0.00 H new ATOM 0 HB3 MET A 34 22.379 11.686 -10.058 1.00 0.00 H new ATOM 0 HG2 MET A 34 23.741 10.908 -7.522 1.00 0.00 H new ATOM 0 HG3 MET A 34 22.054 11.276 -7.823 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.450 8.290 -9.163 1.00 0.00 H new ATOM 0 HE2 MET A 34 20.822 9.987 -9.550 1.00 0.00 H new ATOM 0 HE3 MET A 34 21.650 8.673 -10.420 1.00 0.00 H new ATOM 494 N GLY A 35 25.632 12.351 -11.328 1.00 0.00 N ATOM 495 CA GLY A 35 26.361 13.233 -12.229 1.00 0.00 C ATOM 496 C GLY A 35 26.595 12.589 -13.589 1.00 0.00 C ATOM 497 O GLY A 35 26.283 13.184 -14.617 1.00 0.00 O ATOM 0 H GLY A 35 25.976 12.416 -10.370 1.00 0.00 H new ATOM 0 HA2 GLY A 35 25.804 14.161 -12.358 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.320 13.496 -11.782 1.00 0.00 H new ATOM 501 N LYS A 36 27.131 11.367 -13.591 1.00 0.00 N ATOM 502 CA LYS A 36 27.416 10.638 -14.821 1.00 0.00 C ATOM 503 C LYS A 36 26.176 10.444 -15.703 1.00 0.00 C ATOM 504 O LYS A 36 26.289 10.502 -16.925 1.00 0.00 O ATOM 505 CB LYS A 36 28.026 9.280 -14.480 1.00 0.00 C ATOM 506 CG LYS A 36 29.400 9.434 -13.821 1.00 0.00 C ATOM 507 CD LYS A 36 29.823 8.057 -13.311 1.00 0.00 C ATOM 508 CE LYS A 36 31.169 8.089 -12.579 1.00 0.00 C ATOM 509 NZ LYS A 36 31.091 8.856 -11.323 1.00 0.00 N ATOM 0 H LYS A 36 27.378 10.859 -12.741 1.00 0.00 H new ATOM 0 HA LYS A 36 28.121 11.239 -15.395 1.00 0.00 H new ATOM 0 HB2 LYS A 36 27.359 8.737 -13.811 1.00 0.00 H new ATOM 0 HB3 LYS A 36 28.121 8.684 -15.388 1.00 0.00 H new ATOM 0 HG2 LYS A 36 30.127 9.818 -14.536 1.00 0.00 H new ATOM 0 HG3 LYS A 36 29.353 10.149 -13.000 1.00 0.00 H new ATOM 0 HD2 LYS A 36 29.057 7.671 -12.639 1.00 0.00 H new ATOM 0 HD3 LYS A 36 29.887 7.366 -14.151 1.00 0.00 H new ATOM 0 HE2 LYS A 36 31.490 7.070 -12.363 1.00 0.00 H new ATOM 0 HE3 LYS A 36 31.925 8.530 -13.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 31.770 9.643 -11.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 30.129 9.233 -11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 31.319 8.234 -10.522 1.00 0.00 H new ATOM 523 N LEU A 37 25.018 10.146 -15.102 1.00 0.00 N ATOM 524 CA LEU A 37 23.831 9.725 -15.842 1.00 0.00 C ATOM 525 C LEU A 37 22.852 10.883 -16.039 1.00 0.00 C ATOM 526 O LEU A 37 22.399 11.142 -17.152 1.00 0.00 O ATOM 527 CB LEU A 37 23.133 8.564 -15.113 1.00 0.00 C ATOM 528 CG LEU A 37 24.032 7.356 -14.803 1.00 0.00 C ATOM 529 CD1 LEU A 37 23.162 6.230 -14.228 1.00 0.00 C ATOM 530 CD2 LEU A 37 24.767 6.832 -16.041 1.00 0.00 C ATOM 0 H LEU A 37 24.881 10.191 -14.092 1.00 0.00 H new ATOM 0 HA LEU A 37 24.156 9.389 -16.827 1.00 0.00 H new ATOM 0 HB2 LEU A 37 22.719 8.939 -14.177 1.00 0.00 H new ATOM 0 HB3 LEU A 37 22.293 8.226 -15.720 1.00 0.00 H new ATOM 0 HG LEU A 37 24.788 7.682 -14.089 1.00 0.00 H new ATOM 0 HD11 LEU A 37 23.787 5.366 -14.003 1.00 0.00 H new ATOM 0 HD12 LEU A 37 22.678 6.575 -13.314 1.00 0.00 H new ATOM 0 HD13 LEU A 37 22.402 5.948 -14.957 1.00 0.00 H new ATOM 0 HD21 LEU A 37 25.387 5.979 -15.763 1.00 0.00 H new ATOM 0 HD22 LEU A 37 24.040 6.523 -16.792 1.00 0.00 H new ATOM 0 HD23 LEU A 37 25.398 7.621 -16.450 1.00 0.00 H new ATOM 542 N TYR A 38 22.478 11.528 -14.934 1.00 0.00 N ATOM 543 CA TYR A 38 21.406 12.506 -14.844 1.00 0.00 C ATOM 544 C TYR A 38 21.963 13.902 -14.547 1.00 0.00 C ATOM 545 O TYR A 38 21.567 14.879 -15.176 1.00 0.00 O ATOM 546 CB TYR A 38 20.439 12.093 -13.720 1.00 0.00 C ATOM 547 CG TYR A 38 20.076 10.619 -13.623 1.00 0.00 C ATOM 548 CD1 TYR A 38 19.808 9.854 -14.774 1.00 0.00 C ATOM 549 CD2 TYR A 38 19.902 10.039 -12.353 1.00 0.00 C ATOM 550 CE1 TYR A 38 19.440 8.503 -14.649 1.00 0.00 C ATOM 551 CE2 TYR A 38 19.387 8.737 -12.229 1.00 0.00 C ATOM 552 CZ TYR A 38 19.223 7.945 -13.379 1.00 0.00 C ATOM 553 OH TYR A 38 18.771 6.666 -13.278 1.00 0.00 O ATOM 0 H TYR A 38 22.939 11.372 -14.038 1.00 0.00 H new ATOM 0 HA TYR A 38 20.882 12.539 -15.799 1.00 0.00 H new ATOM 0 HB2 TYR A 38 20.877 12.397 -12.769 1.00 0.00 H new ATOM 0 HB3 TYR A 38 19.517 12.661 -13.842 1.00 0.00 H new ATOM 0 HD1 TYR A 38 19.885 10.305 -15.752 1.00 0.00 H new ATOM 0 HD2 TYR A 38 20.166 10.598 -11.467 1.00 0.00 H new ATOM 0 HE1 TYR A 38 19.324 7.893 -15.532 1.00 0.00 H new ATOM 0 HE2 TYR A 38 19.119 8.348 -11.258 1.00 0.00 H new ATOM 0 HH TYR A 38 18.428 6.511 -12.373 1.00 0.00 H new ATOM 563 N GLY A 39 22.841 13.993 -13.545 1.00 0.00 N ATOM 564 CA GLY A 39 23.305 15.246 -12.965 1.00 0.00 C ATOM 565 C GLY A 39 23.477 15.054 -11.458 1.00 0.00 C ATOM 566 O GLY A 39 22.856 14.162 -10.879 1.00 0.00 O ATOM 0 H GLY A 39 23.257 13.172 -13.106 1.00 0.00 H new ATOM 0 HA2 GLY A 39 24.250 15.545 -13.418 1.00 0.00 H new ATOM 0 HA3 GLY A 39 22.589 16.043 -13.165 1.00 0.00 H new ATOM 570 N ASN A 40 24.331 15.858 -10.813 1.00 0.00 N ATOM 571 CA ASN A 40 24.684 15.691 -9.403 1.00 0.00 C ATOM 572 C ASN A 40 23.555 16.208 -8.509 1.00 0.00 C ATOM 573 O ASN A 40 23.700 17.217 -7.821 1.00 0.00 O ATOM 574 CB ASN A 40 26.036 16.362 -9.099 1.00 0.00 C ATOM 575 CG ASN A 40 26.607 15.962 -7.731 1.00 0.00 C ATOM 576 OD1 ASN A 40 27.643 15.312 -7.656 1.00 0.00 O ATOM 577 ND2 ASN A 40 25.954 16.342 -6.638 1.00 0.00 N ATOM 0 H ASN A 40 24.798 16.647 -11.260 1.00 0.00 H new ATOM 0 HA ASN A 40 24.805 14.630 -9.185 1.00 0.00 H new ATOM 0 HB2 ASN A 40 26.751 16.096 -9.877 1.00 0.00 H new ATOM 0 HB3 ASN A 40 25.915 17.445 -9.134 1.00 0.00 H new ATOM 0 HD21 ASN A 40 26.314 16.093 -5.717 1.00 0.00 H new ATOM 0 HD22 ASN A 40 25.093 16.883 -6.720 1.00 0.00 H new ATOM 584 N ASP A 41 22.419 15.513 -8.522 1.00 0.00 N ATOM 585 CA ASP A 41 21.271 15.841 -7.690 1.00 0.00 C ATOM 586 C ASP A 41 21.433 15.200 -6.312 1.00 0.00 C ATOM 587 O ASP A 41 21.434 15.880 -5.287 1.00 0.00 O ATOM 588 CB ASP A 41 19.984 15.411 -8.411 1.00 0.00 C ATOM 589 CG ASP A 41 18.726 16.036 -7.809 1.00 0.00 C ATOM 590 OD1 ASP A 41 18.729 16.314 -6.590 1.00 0.00 O ATOM 591 OD2 ASP A 41 17.762 16.213 -8.584 1.00 0.00 O ATOM 0 H ASP A 41 22.272 14.698 -9.118 1.00 0.00 H new ATOM 0 HA ASP A 41 21.204 16.917 -7.528 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.053 15.688 -9.463 1.00 0.00 H new ATOM 0 HB3 ASP A 41 19.898 14.325 -8.373 1.00 0.00 H new ATOM 596 N PHE A 42 21.565 13.872 -6.280 1.00 0.00 N ATOM 597 CA PHE A 42 21.486 13.118 -5.039 1.00 0.00 C ATOM 598 C PHE A 42 22.861 12.898 -4.420 1.00 0.00 C ATOM 599 O PHE A 42 23.515 11.895 -4.693 1.00 0.00 O ATOM 600 CB PHE A 42 20.704 11.821 -5.243 1.00 0.00 C ATOM 601 CG PHE A 42 19.444 11.963 -6.088 1.00 0.00 C ATOM 602 CD1 PHE A 42 18.649 13.129 -6.035 1.00 0.00 C ATOM 603 CD2 PHE A 42 19.102 10.937 -6.984 1.00 0.00 C ATOM 604 CE1 PHE A 42 17.525 13.256 -6.871 1.00 0.00 C ATOM 605 CE2 PHE A 42 18.013 11.091 -7.858 1.00 0.00 C ATOM 606 CZ PHE A 42 17.237 12.261 -7.817 1.00 0.00 C ATOM 0 H PHE A 42 21.728 13.299 -7.108 1.00 0.00 H new ATOM 0 HA PHE A 42 20.930 13.711 -4.313 1.00 0.00 H new ATOM 0 HB2 PHE A 42 21.359 11.088 -5.713 1.00 0.00 H new ATOM 0 HB3 PHE A 42 20.427 11.422 -4.267 1.00 0.00 H new ATOM 0 HD1 PHE A 42 18.905 13.925 -5.351 1.00 0.00 H new ATOM 0 HD2 PHE A 42 19.679 10.025 -7.001 1.00 0.00 H new ATOM 0 HE1 PHE A 42 16.883 14.120 -6.785 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.772 10.309 -8.562 1.00 0.00 H new ATOM 0 HZ PHE A 42 16.421 12.394 -8.512 1.00 0.00 H new ATOM 616 N SER A 43 23.278 13.837 -3.571 1.00 0.00 N ATOM 617 CA SER A 43 24.452 13.695 -2.720 1.00 0.00 C ATOM 618 C SER A 43 23.970 13.318 -1.316 1.00 0.00 C ATOM 619 O SER A 43 22.767 13.177 -1.095 1.00 0.00 O ATOM 620 CB SER A 43 25.242 15.008 -2.740 1.00 0.00 C ATOM 621 OG SER A 43 25.543 15.350 -4.081 1.00 0.00 O ATOM 0 H SER A 43 22.800 14.731 -3.456 1.00 0.00 H new ATOM 0 HA SER A 43 25.122 12.911 -3.074 1.00 0.00 H new ATOM 0 HB2 SER A 43 24.662 15.803 -2.271 1.00 0.00 H new ATOM 0 HB3 SER A 43 26.161 14.902 -2.164 1.00 0.00 H new ATOM 0 HG SER A 43 24.732 15.674 -4.526 1.00 0.00 H new ATOM 627 N GLN A 44 24.892 13.151 -0.359 1.00 0.00 N ATOM 628 CA GLN A 44 24.544 12.742 1.000 1.00 0.00 C ATOM 629 C GLN A 44 23.441 13.609 1.607 1.00 0.00 C ATOM 630 O GLN A 44 22.593 13.098 2.330 1.00 0.00 O ATOM 631 CB GLN A 44 25.796 12.754 1.891 1.00 0.00 C ATOM 632 CG GLN A 44 25.646 11.920 3.175 1.00 0.00 C ATOM 633 CD GLN A 44 25.460 10.421 2.932 1.00 0.00 C ATOM 634 OE1 GLN A 44 25.048 9.687 3.829 1.00 0.00 O ATOM 635 NE2 GLN A 44 25.751 9.938 1.726 1.00 0.00 N ATOM 0 H GLN A 44 25.891 13.295 -0.507 1.00 0.00 H new ATOM 0 HA GLN A 44 24.151 11.727 0.944 1.00 0.00 H new ATOM 0 HB2 GLN A 44 26.643 12.375 1.319 1.00 0.00 H new ATOM 0 HB3 GLN A 44 26.029 13.784 2.162 1.00 0.00 H new ATOM 0 HG2 GLN A 44 26.529 12.069 3.797 1.00 0.00 H new ATOM 0 HG3 GLN A 44 24.792 12.294 3.740 1.00 0.00 H new ATOM 0 HE21 GLN A 44 26.091 10.563 0.995 1.00 0.00 H new ATOM 0 HE22 GLN A 44 25.633 8.943 1.533 1.00 0.00 H new ATOM 644 N THR A 45 23.440 14.907 1.305 1.00 0.00 N ATOM 645 CA THR A 45 22.375 15.820 1.673 1.00 0.00 C ATOM 646 C THR A 45 21.029 15.266 1.198 1.00 0.00 C ATOM 647 O THR A 45 20.234 14.774 1.994 1.00 0.00 O ATOM 648 CB THR A 45 22.693 17.177 1.026 1.00 0.00 C ATOM 649 OG1 THR A 45 23.146 16.954 -0.300 1.00 0.00 O ATOM 650 CG2 THR A 45 23.802 17.898 1.799 1.00 0.00 C ATOM 0 H THR A 45 24.197 15.355 0.788 1.00 0.00 H new ATOM 0 HA THR A 45 22.307 15.939 2.754 1.00 0.00 H new ATOM 0 HB THR A 45 21.792 17.791 1.036 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.351 17.813 -0.725 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.012 18.857 1.325 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.480 18.065 2.827 1.00 0.00 H new ATOM 0 HG23 THR A 45 24.704 17.286 1.796 1.00 0.00 H new ATOM 658 N THR A 46 20.781 15.326 -0.108 1.00 0.00 N ATOM 659 CA THR A 46 19.535 14.915 -0.729 1.00 0.00 C ATOM 660 C THR A 46 19.140 13.486 -0.325 1.00 0.00 C ATOM 661 O THR A 46 17.981 13.226 -0.004 1.00 0.00 O ATOM 662 CB THR A 46 19.663 15.108 -2.254 1.00 0.00 C ATOM 663 OG1 THR A 46 21.005 15.422 -2.616 1.00 0.00 O ATOM 664 CG2 THR A 46 18.772 16.262 -2.725 1.00 0.00 C ATOM 0 H THR A 46 21.466 15.673 -0.780 1.00 0.00 H new ATOM 0 HA THR A 46 18.716 15.539 -0.372 1.00 0.00 H new ATOM 0 HB THR A 46 19.358 14.173 -2.725 1.00 0.00 H new ATOM 0 HG1 THR A 46 21.160 16.382 -2.495 1.00 0.00 H new ATOM 0 HG21 THR A 46 18.875 16.384 -3.803 1.00 0.00 H new ATOM 0 HG22 THR A 46 17.733 16.042 -2.482 1.00 0.00 H new ATOM 0 HG23 THR A 46 19.074 17.182 -2.225 1.00 0.00 H new ATOM 672 N ILE A 47 20.093 12.555 -0.307 1.00 0.00 N ATOM 673 CA ILE A 47 19.835 11.171 0.081 1.00 0.00 C ATOM 674 C ILE A 47 19.463 11.064 1.566 1.00 0.00 C ATOM 675 O ILE A 47 18.455 10.448 1.901 1.00 0.00 O ATOM 676 CB ILE A 47 21.011 10.293 -0.388 1.00 0.00 C ATOM 677 CG1 ILE A 47 20.722 9.845 -1.827 1.00 0.00 C ATOM 678 CG2 ILE A 47 21.277 9.061 0.484 1.00 0.00 C ATOM 679 CD1 ILE A 47 22.002 9.580 -2.621 1.00 0.00 C ATOM 0 H ILE A 47 21.064 12.739 -0.561 1.00 0.00 H new ATOM 0 HA ILE A 47 18.951 10.780 -0.423 1.00 0.00 H new ATOM 0 HB ILE A 47 21.912 10.902 -0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.115 8.940 -1.808 1.00 0.00 H new ATOM 0 HG13 ILE A 47 20.136 10.612 -2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.121 8.504 0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.507 9.378 1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.393 8.424 0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.744 9.266 -3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.598 10.491 -2.665 1.00 0.00 H new ATOM 0 HD13 ILE A 47 22.577 8.794 -2.132 1.00 0.00 H new ATOM 691 N SER A 48 20.208 11.687 2.480 1.00 0.00 N ATOM 692 CA SER A 48 19.799 11.690 3.884 1.00 0.00 C ATOM 693 C SER A 48 18.381 12.263 4.022 1.00 0.00 C ATOM 694 O SER A 48 17.530 11.675 4.689 1.00 0.00 O ATOM 695 CB SER A 48 20.819 12.417 4.767 1.00 0.00 C ATOM 696 OG SER A 48 20.958 13.773 4.401 1.00 0.00 O ATOM 0 H SER A 48 21.076 12.184 2.281 1.00 0.00 H new ATOM 0 HA SER A 48 19.772 10.661 4.242 1.00 0.00 H new ATOM 0 HB2 SER A 48 20.508 12.352 5.810 1.00 0.00 H new ATOM 0 HB3 SER A 48 21.786 11.919 4.691 1.00 0.00 H new ATOM 0 HG SER A 48 20.753 13.877 3.448 1.00 0.00 H new ATOM 702 N ARG A 49 18.107 13.377 3.338 1.00 0.00 N ATOM 703 CA ARG A 49 16.780 13.977 3.299 1.00 0.00 C ATOM 704 C ARG A 49 15.728 13.006 2.743 1.00 0.00 C ATOM 705 O ARG A 49 14.596 13.000 3.228 1.00 0.00 O ATOM 706 CB ARG A 49 16.809 15.290 2.512 1.00 0.00 C ATOM 707 CG ARG A 49 17.641 16.363 3.229 1.00 0.00 C ATOM 708 CD ARG A 49 17.765 17.653 2.400 1.00 0.00 C ATOM 709 NE ARG A 49 17.064 18.773 3.044 1.00 0.00 N ATOM 710 CZ ARG A 49 15.733 18.899 3.137 1.00 0.00 C ATOM 711 NH1 ARG A 49 14.925 18.119 2.415 1.00 0.00 N ATOM 712 NH2 ARG A 49 15.213 19.796 3.977 1.00 0.00 N ATOM 0 H ARG A 49 18.805 13.886 2.795 1.00 0.00 H new ATOM 0 HA ARG A 49 16.485 14.202 4.324 1.00 0.00 H new ATOM 0 HB2 ARG A 49 17.223 15.111 1.520 1.00 0.00 H new ATOM 0 HB3 ARG A 49 15.791 15.653 2.371 1.00 0.00 H new ATOM 0 HG2 ARG A 49 17.182 16.594 4.190 1.00 0.00 H new ATOM 0 HG3 ARG A 49 18.636 15.970 3.437 1.00 0.00 H new ATOM 0 HD2 ARG A 49 18.818 17.906 2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 49 17.354 17.488 1.404 1.00 0.00 H new ATOM 0 HE ARG A 49 17.636 19.513 3.452 1.00 0.00 H new ATOM 0 HH11 ARG A 49 15.319 17.420 1.786 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.913 18.222 2.493 1.00 0.00 H new ATOM 0 HH21 ARG A 49 15.828 20.381 4.543 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.201 19.897 4.053 1.00 0.00 H new ATOM 726 N PHE A 50 16.084 12.186 1.746 1.00 0.00 N ATOM 727 CA PHE A 50 15.234 11.125 1.215 1.00 0.00 C ATOM 728 C PHE A 50 14.872 10.143 2.323 1.00 0.00 C ATOM 729 O PHE A 50 13.695 9.915 2.587 1.00 0.00 O ATOM 730 CB PHE A 50 15.955 10.388 0.075 1.00 0.00 C ATOM 731 CG PHE A 50 15.188 9.351 -0.726 1.00 0.00 C ATOM 732 CD1 PHE A 50 13.796 9.437 -0.922 1.00 0.00 C ATOM 733 CD2 PHE A 50 15.918 8.337 -1.377 1.00 0.00 C ATOM 734 CE1 PHE A 50 13.155 8.564 -1.819 1.00 0.00 C ATOM 735 CE2 PHE A 50 15.275 7.446 -2.251 1.00 0.00 C ATOM 736 CZ PHE A 50 13.902 7.595 -2.512 1.00 0.00 C ATOM 0 H PHE A 50 16.989 12.247 1.280 1.00 0.00 H new ATOM 0 HA PHE A 50 14.320 11.571 0.823 1.00 0.00 H new ATOM 0 HB2 PHE A 50 16.322 11.140 -0.624 1.00 0.00 H new ATOM 0 HB3 PHE A 50 16.829 9.896 0.501 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.220 10.174 -0.383 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.980 8.244 -1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 50 12.089 8.638 -1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.833 6.650 -2.721 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.420 6.965 -3.245 1.00 0.00 H new ATOM 746 N GLU A 51 15.882 9.583 2.994 1.00 0.00 N ATOM 747 CA GLU A 51 15.642 8.649 4.094 1.00 0.00 C ATOM 748 C GLU A 51 14.906 9.301 5.272 1.00 0.00 C ATOM 749 O GLU A 51 14.190 8.608 5.991 1.00 0.00 O ATOM 750 CB GLU A 51 16.929 7.959 4.562 1.00 0.00 C ATOM 751 CG GLU A 51 17.408 6.886 3.572 1.00 0.00 C ATOM 752 CD GLU A 51 18.247 7.469 2.442 1.00 0.00 C ATOM 753 OE1 GLU A 51 19.393 7.864 2.751 1.00 0.00 O ATOM 754 OE2 GLU A 51 17.743 7.496 1.299 1.00 0.00 O ATOM 0 H GLU A 51 16.867 9.759 2.796 1.00 0.00 H new ATOM 0 HA GLU A 51 14.984 7.879 3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.712 8.706 4.692 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.760 7.501 5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.994 6.138 4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.544 6.373 3.151 1.00 0.00 H new ATOM 761 N ALA A 52 15.061 10.614 5.471 1.00 0.00 N ATOM 762 CA ALA A 52 14.275 11.383 6.437 1.00 0.00 C ATOM 763 C ALA A 52 12.900 11.794 5.881 1.00 0.00 C ATOM 764 O ALA A 52 12.101 12.399 6.591 1.00 0.00 O ATOM 765 CB ALA A 52 15.071 12.618 6.866 1.00 0.00 C ATOM 0 H ALA A 52 15.742 11.176 4.961 1.00 0.00 H new ATOM 0 HA ALA A 52 14.084 10.744 7.300 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.489 13.194 7.586 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.009 12.305 7.325 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.283 13.236 5.993 1.00 0.00 H new ATOM 771 N LEU A 53 12.630 11.496 4.608 1.00 0.00 N ATOM 772 CA LEU A 53 11.427 11.834 3.865 1.00 0.00 C ATOM 773 C LEU A 53 11.082 13.325 3.884 1.00 0.00 C ATOM 774 O LEU A 53 9.921 13.699 3.707 1.00 0.00 O ATOM 775 CB LEU A 53 10.247 10.911 4.233 1.00 0.00 C ATOM 776 CG LEU A 53 10.408 9.498 3.632 1.00 0.00 C ATOM 777 CD1 LEU A 53 11.125 8.576 4.620 1.00 0.00 C ATOM 778 CD2 LEU A 53 9.040 8.904 3.272 1.00 0.00 C ATOM 0 H LEU A 53 13.296 10.977 4.036 1.00 0.00 H new ATOM 0 HA LEU A 53 11.651 11.637 2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.170 10.837 5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.316 11.353 3.876 1.00 0.00 H new ATOM 0 HG LEU A 53 11.006 9.583 2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 53 11.230 7.584 4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.112 8.980 4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.544 8.506 5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.175 7.908 2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.425 8.837 4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.547 9.544 2.541 1.00 0.00 H new ATOM 790 N ASN A 54 12.096 14.197 3.953 1.00 0.00 N ATOM 791 CA ASN A 54 11.886 15.644 3.914 1.00 0.00 C ATOM 792 C ASN A 54 11.976 16.187 2.481 1.00 0.00 C ATOM 793 O ASN A 54 12.317 17.347 2.266 1.00 0.00 O ATOM 794 CB ASN A 54 12.848 16.355 4.875 1.00 0.00 C ATOM 795 CG ASN A 54 12.335 17.753 5.226 1.00 0.00 C ATOM 796 OD1 ASN A 54 12.862 18.763 4.774 1.00 0.00 O ATOM 797 ND2 ASN A 54 11.295 17.827 6.052 1.00 0.00 N ATOM 0 H ASN A 54 13.074 13.920 4.037 1.00 0.00 H new ATOM 0 HA ASN A 54 10.873 15.854 4.257 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.961 15.766 5.785 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.835 16.429 4.419 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.921 18.737 6.321 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.872 16.974 6.417 1.00 0.00 H new ATOM 804 N LEU A 55 11.655 15.342 1.498 1.00 0.00 N ATOM 805 CA LEU A 55 11.475 15.693 0.091 1.00 0.00 C ATOM 806 C LEU A 55 10.121 15.128 -0.367 1.00 0.00 C ATOM 807 O LEU A 55 9.954 14.724 -1.519 1.00 0.00 O ATOM 808 CB LEU A 55 12.625 15.092 -0.731 1.00 0.00 C ATOM 809 CG LEU A 55 14.026 15.572 -0.322 1.00 0.00 C ATOM 810 CD1 LEU A 55 15.081 14.690 -0.999 1.00 0.00 C ATOM 811 CD2 LEU A 55 14.253 17.035 -0.720 1.00 0.00 C ATOM 0 H LEU A 55 11.507 14.348 1.672 1.00 0.00 H new ATOM 0 HA LEU A 55 11.485 16.774 -0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.588 14.006 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.466 15.332 -1.782 1.00 0.00 H new ATOM 0 HG LEU A 55 14.111 15.498 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 55 16.077 15.028 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.945 13.655 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.973 14.760 -2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.253 17.344 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.154 17.138 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.513 17.665 -0.226 1.00 0.00 H new ATOM 823 N SER A 56 9.188 15.071 0.588 1.00 0.00 N ATOM 824 CA SER A 56 7.901 14.402 0.593 1.00 0.00 C ATOM 825 C SER A 56 7.195 14.361 -0.767 1.00 0.00 C ATOM 826 O SER A 56 6.583 15.340 -1.190 1.00 0.00 O ATOM 827 CB SER A 56 7.069 15.068 1.692 1.00 0.00 C ATOM 828 OG SER A 56 7.921 15.382 2.788 1.00 0.00 O ATOM 0 H SER A 56 9.343 15.551 1.475 1.00 0.00 H new ATOM 0 HA SER A 56 8.043 13.342 0.804 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.596 15.973 1.311 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.269 14.402 2.015 1.00 0.00 H new ATOM 0 HG SER A 56 8.538 14.638 2.946 1.00 0.00 H new ATOM 834 N PHE A 57 7.272 13.204 -1.432 1.00 0.00 N ATOM 835 CA PHE A 57 6.668 12.871 -2.716 1.00 0.00 C ATOM 836 C PHE A 57 7.291 13.629 -3.895 1.00 0.00 C ATOM 837 O PHE A 57 7.783 13.012 -4.839 1.00 0.00 O ATOM 838 CB PHE A 57 5.139 12.996 -2.684 1.00 0.00 C ATOM 839 CG PHE A 57 4.490 12.225 -3.816 1.00 0.00 C ATOM 840 CD1 PHE A 57 4.331 10.831 -3.698 1.00 0.00 C ATOM 841 CD2 PHE A 57 4.250 12.852 -5.053 1.00 0.00 C ATOM 842 CE1 PHE A 57 3.939 10.068 -4.811 1.00 0.00 C ATOM 843 CE2 PHE A 57 3.848 12.089 -6.164 1.00 0.00 C ATOM 844 CZ PHE A 57 3.697 10.696 -6.044 1.00 0.00 C ATOM 0 H PHE A 57 7.800 12.418 -1.053 1.00 0.00 H new ATOM 0 HA PHE A 57 6.898 11.820 -2.890 1.00 0.00 H new ATOM 0 HB2 PHE A 57 4.764 12.626 -1.730 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.858 14.047 -2.752 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.511 10.347 -2.749 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.375 13.920 -5.149 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.824 8.998 -4.718 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.655 12.573 -7.110 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.395 10.109 -6.899 1.00 0.00 H new ATOM 854 N LYS A 58 7.252 14.963 -3.836 1.00 0.00 N ATOM 855 CA LYS A 58 7.635 15.877 -4.904 1.00 0.00 C ATOM 856 C LYS A 58 8.928 15.465 -5.611 1.00 0.00 C ATOM 857 O LYS A 58 8.955 15.362 -6.835 1.00 0.00 O ATOM 858 CB LYS A 58 7.675 17.317 -4.362 1.00 0.00 C ATOM 859 CG LYS A 58 8.632 17.529 -3.176 1.00 0.00 C ATOM 860 CD LYS A 58 8.418 18.919 -2.562 1.00 0.00 C ATOM 861 CE LYS A 58 9.270 19.121 -1.302 1.00 0.00 C ATOM 862 NZ LYS A 58 10.714 19.079 -1.592 1.00 0.00 N ATOM 0 H LYS A 58 6.936 15.454 -2.999 1.00 0.00 H new ATOM 0 HA LYS A 58 6.874 15.828 -5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.966 17.988 -5.171 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.669 17.604 -4.056 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.463 16.761 -2.422 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.664 17.426 -3.510 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.669 19.684 -3.297 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.365 19.049 -2.314 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.021 20.080 -0.847 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.025 18.349 -0.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.248 19.304 -0.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.974 18.128 -1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.940 19.776 -2.330 1.00 0.00 H new ATOM 876 N ASN A 59 10.000 15.216 -4.852 1.00 0.00 N ATOM 877 CA ASN A 59 11.248 14.745 -5.447 1.00 0.00 C ATOM 878 C ASN A 59 11.151 13.242 -5.675 1.00 0.00 C ATOM 879 O ASN A 59 11.466 12.741 -6.753 1.00 0.00 O ATOM 880 CB ASN A 59 12.437 15.070 -4.539 1.00 0.00 C ATOM 881 CG ASN A 59 13.768 15.047 -5.292 1.00 0.00 C ATOM 882 OD1 ASN A 59 13.872 14.519 -6.393 1.00 0.00 O ATOM 883 ND2 ASN A 59 14.807 15.638 -4.708 1.00 0.00 N ATOM 0 H ASN A 59 10.027 15.332 -3.839 1.00 0.00 H new ATOM 0 HA ASN A 59 11.406 15.251 -6.399 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.292 16.054 -4.093 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.473 14.351 -3.721 1.00 0.00 H new ATOM 0 HD21 ASN A 59 15.712 15.658 -5.177 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.698 16.071 -3.791 1.00 0.00 H new ATOM 890 N MET A 60 10.708 12.536 -4.629 1.00 0.00 N ATOM 891 CA MET A 60 10.647 11.081 -4.535 1.00 0.00 C ATOM 892 C MET A 60 10.110 10.433 -5.798 1.00 0.00 C ATOM 893 O MET A 60 10.601 9.388 -6.199 1.00 0.00 O ATOM 894 CB MET A 60 9.797 10.627 -3.356 1.00 0.00 C ATOM 895 CG MET A 60 10.296 11.180 -2.028 1.00 0.00 C ATOM 896 SD MET A 60 9.386 10.533 -0.615 1.00 0.00 S ATOM 897 CE MET A 60 10.276 11.425 0.661 1.00 0.00 C ATOM 0 H MET A 60 10.365 12.992 -3.783 1.00 0.00 H new ATOM 0 HA MET A 60 11.678 10.759 -4.390 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.766 10.944 -3.513 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.793 9.538 -3.314 1.00 0.00 H new ATOM 0 HG2 MET A 60 11.353 10.940 -1.914 1.00 0.00 H new ATOM 0 HG3 MET A 60 10.215 12.267 -2.039 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.673 11.459 1.569 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.218 10.918 0.870 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.478 12.441 0.321 1.00 0.00 H new ATOM 907 N CYS A 61 9.090 11.008 -6.427 1.00 0.00 N ATOM 908 CA CYS A 61 8.514 10.349 -7.593 1.00 0.00 C ATOM 909 C CYS A 61 9.472 10.299 -8.789 1.00 0.00 C ATOM 910 O CYS A 61 9.330 9.434 -9.651 1.00 0.00 O ATOM 911 CB CYS A 61 7.176 10.996 -7.959 1.00 0.00 C ATOM 912 SG CYS A 61 6.324 9.960 -9.173 1.00 0.00 S ATOM 0 H CYS A 61 8.659 11.894 -6.163 1.00 0.00 H new ATOM 0 HA CYS A 61 8.334 9.309 -7.322 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.560 11.113 -7.068 1.00 0.00 H new ATOM 0 HB3 CYS A 61 7.341 11.993 -8.367 1.00 0.00 H new ATOM 0 HG CYS A 61 7.200 9.310 -9.880 1.00 0.00 H new ATOM 917 N LYS A 62 10.451 11.204 -8.850 1.00 0.00 N ATOM 918 CA LYS A 62 11.553 11.139 -9.803 1.00 0.00 C ATOM 919 C LYS A 62 12.706 10.355 -9.168 1.00 0.00 C ATOM 920 O LYS A 62 13.190 9.362 -9.706 1.00 0.00 O ATOM 921 CB LYS A 62 11.991 12.563 -10.168 1.00 0.00 C ATOM 922 CG LYS A 62 10.832 13.346 -10.800 1.00 0.00 C ATOM 923 CD LYS A 62 11.288 14.716 -11.317 1.00 0.00 C ATOM 924 CE LYS A 62 11.798 15.657 -10.215 1.00 0.00 C ATOM 925 NZ LYS A 62 10.782 15.894 -9.172 1.00 0.00 N ATOM 0 H LYS A 62 10.498 12.012 -8.229 1.00 0.00 H new ATOM 0 HA LYS A 62 11.242 10.632 -10.716 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.341 13.081 -9.275 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.830 12.523 -10.863 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.409 12.769 -11.622 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.039 13.480 -10.064 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.079 14.571 -12.053 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.456 15.194 -11.834 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.691 15.230 -9.759 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.090 16.609 -10.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.123 16.624 -8.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.897 16.214 -9.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.608 15.012 -8.650 1.00 0.00 H new ATOM 939 N LEU A 63 13.127 10.820 -7.994 1.00 0.00 N ATOM 940 CA LEU A 63 14.227 10.307 -7.189 1.00 0.00 C ATOM 941 C LEU A 63 14.166 8.785 -7.024 1.00 0.00 C ATOM 942 O LEU A 63 15.184 8.117 -7.193 1.00 0.00 O ATOM 943 CB LEU A 63 14.222 11.122 -5.883 1.00 0.00 C ATOM 944 CG LEU A 63 14.881 10.578 -4.614 1.00 0.00 C ATOM 945 CD1 LEU A 63 16.396 10.476 -4.764 1.00 0.00 C ATOM 946 CD2 LEU A 63 14.585 11.562 -3.474 1.00 0.00 C ATOM 0 H LEU A 63 12.676 11.621 -7.552 1.00 0.00 H new ATOM 0 HA LEU A 63 15.192 10.442 -7.677 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.693 12.080 -6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.180 11.328 -5.639 1.00 0.00 H new ATOM 0 HG LEU A 63 14.485 9.582 -4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 63 16.827 10.086 -3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 63 16.636 9.805 -5.589 1.00 0.00 H new ATOM 0 HD13 LEU A 63 16.809 11.464 -4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.043 11.201 -2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 63 14.994 12.541 -3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.507 11.644 -3.335 1.00 0.00 H new ATOM 958 N LYS A 64 12.989 8.216 -6.744 1.00 0.00 N ATOM 959 CA LYS A 64 12.852 6.782 -6.530 1.00 0.00 C ATOM 960 C LYS A 64 13.204 5.990 -7.796 1.00 0.00 C ATOM 961 O LYS A 64 14.169 5.225 -7.762 1.00 0.00 O ATOM 962 CB LYS A 64 11.488 6.439 -5.907 1.00 0.00 C ATOM 963 CG LYS A 64 11.347 4.941 -5.592 1.00 0.00 C ATOM 964 CD LYS A 64 10.511 4.187 -6.636 1.00 0.00 C ATOM 965 CE LYS A 64 10.399 2.700 -6.279 1.00 0.00 C ATOM 966 NZ LYS A 64 11.707 2.023 -6.336 1.00 0.00 N ATOM 0 H LYS A 64 12.115 8.736 -6.661 1.00 0.00 H new ATOM 0 HA LYS A 64 13.586 6.462 -5.791 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.355 7.014 -4.991 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.694 6.740 -6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.339 4.492 -5.535 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.887 4.823 -4.611 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.515 4.626 -6.696 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.967 4.295 -7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.980 2.597 -5.278 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.707 2.212 -6.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.567 1.014 -6.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.289 2.454 -7.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.190 2.122 -5.420 1.00 0.00 H new ATOM 980 N PRO A 65 12.477 6.136 -8.919 1.00 0.00 N ATOM 981 CA PRO A 65 12.828 5.432 -10.139 1.00 0.00 C ATOM 982 C PRO A 65 14.246 5.773 -10.607 1.00 0.00 C ATOM 983 O PRO A 65 14.944 4.887 -11.097 1.00 0.00 O ATOM 984 CB PRO A 65 11.754 5.782 -11.174 1.00 0.00 C ATOM 985 CG PRO A 65 11.115 7.060 -10.636 1.00 0.00 C ATOM 986 CD PRO A 65 11.271 6.924 -9.121 1.00 0.00 C ATOM 0 HA PRO A 65 12.848 4.354 -9.977 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.189 5.940 -12.161 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.021 4.982 -11.273 1.00 0.00 H new ATOM 0 HG2 PRO A 65 11.618 7.950 -11.013 1.00 0.00 H new ATOM 0 HG3 PRO A 65 10.067 7.138 -10.927 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.358 7.902 -8.647 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.404 6.432 -8.681 1.00 0.00 H new ATOM 994 N LEU A 66 14.695 7.027 -10.454 1.00 0.00 N ATOM 995 CA LEU A 66 16.014 7.422 -10.937 1.00 0.00 C ATOM 996 C LEU A 66 17.045 6.596 -10.153 1.00 0.00 C ATOM 997 O LEU A 66 17.930 5.986 -10.754 1.00 0.00 O ATOM 998 CB LEU A 66 16.258 8.920 -10.692 1.00 0.00 C ATOM 999 CG LEU A 66 16.267 9.776 -11.968 1.00 0.00 C ATOM 1000 CD1 LEU A 66 14.873 9.813 -12.604 1.00 0.00 C ATOM 1001 CD2 LEU A 66 16.694 11.209 -11.633 1.00 0.00 C ATOM 0 H LEU A 66 14.166 7.774 -10.004 1.00 0.00 H new ATOM 0 HA LEU A 66 16.093 7.244 -12.009 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.486 9.297 -10.021 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.213 9.042 -10.180 1.00 0.00 H new ATOM 0 HG LEU A 66 16.972 9.331 -12.670 1.00 0.00 H new ATOM 0 HD11 LEU A 66 14.901 10.424 -13.506 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.563 8.800 -12.861 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.162 10.241 -11.897 1.00 0.00 H new ATOM 0 HD21 LEU A 66 16.698 11.810 -12.543 1.00 0.00 H new ATOM 0 HD22 LEU A 66 15.994 11.639 -10.917 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.695 11.199 -11.201 1.00 0.00 H new ATOM 1013 N LEU A 67 16.939 6.565 -8.816 1.00 0.00 N ATOM 1014 CA LEU A 67 17.822 5.760 -7.992 1.00 0.00 C ATOM 1015 C LEU A 67 17.679 4.277 -8.312 1.00 0.00 C ATOM 1016 O LEU A 67 18.681 3.574 -8.340 1.00 0.00 O ATOM 1017 CB LEU A 67 17.586 6.000 -6.497 1.00 0.00 C ATOM 1018 CG LEU A 67 18.218 7.290 -5.955 1.00 0.00 C ATOM 1019 CD1 LEU A 67 17.961 7.394 -4.457 1.00 0.00 C ATOM 1020 CD2 LEU A 67 19.724 7.390 -6.227 1.00 0.00 C ATOM 0 H LEU A 67 16.244 7.095 -8.290 1.00 0.00 H new ATOM 0 HA LEU A 67 18.840 6.071 -8.227 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.512 6.030 -6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 67 17.983 5.153 -5.938 1.00 0.00 H new ATOM 0 HG LEU A 67 17.748 8.118 -6.486 1.00 0.00 H new ATOM 0 HD11 LEU A 67 18.410 8.310 -4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.887 7.412 -4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 67 18.402 6.535 -3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 67 20.106 8.325 -5.818 1.00 0.00 H new ATOM 0 HD22 LEU A 67 20.235 6.551 -5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.902 7.365 -7.302 1.00 0.00 H new ATOM 1032 N GLU A 68 16.459 3.783 -8.540 1.00 0.00 N ATOM 1033 CA GLU A 68 16.251 2.382 -8.880 1.00 0.00 C ATOM 1034 C GLU A 68 17.063 2.025 -10.133 1.00 0.00 C ATOM 1035 O GLU A 68 17.866 1.093 -10.117 1.00 0.00 O ATOM 1036 CB GLU A 68 14.748 2.109 -9.061 1.00 0.00 C ATOM 1037 CG GLU A 68 14.420 0.613 -9.168 1.00 0.00 C ATOM 1038 CD GLU A 68 14.607 -0.116 -7.841 1.00 0.00 C ATOM 1039 OE1 GLU A 68 13.624 -0.145 -7.068 1.00 0.00 O ATOM 1040 OE2 GLU A 68 15.728 -0.618 -7.614 1.00 0.00 O ATOM 0 H GLU A 68 15.603 4.336 -8.494 1.00 0.00 H new ATOM 0 HA GLU A 68 16.604 1.744 -8.070 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.203 2.536 -8.219 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.397 2.618 -9.959 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.390 0.492 -9.505 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.058 0.156 -9.924 1.00 0.00 H new ATOM 1047 N LYS A 69 16.878 2.792 -11.212 1.00 0.00 N ATOM 1048 CA LYS A 69 17.617 2.596 -12.453 1.00 0.00 C ATOM 1049 C LYS A 69 19.122 2.725 -12.205 1.00 0.00 C ATOM 1050 O LYS A 69 19.906 1.889 -12.656 1.00 0.00 O ATOM 1051 CB LYS A 69 17.140 3.605 -13.504 1.00 0.00 C ATOM 1052 CG LYS A 69 15.711 3.297 -13.968 1.00 0.00 C ATOM 1053 CD LYS A 69 15.248 4.373 -14.958 1.00 0.00 C ATOM 1054 CE LYS A 69 13.863 4.056 -15.535 1.00 0.00 C ATOM 1055 NZ LYS A 69 12.824 4.035 -14.491 1.00 0.00 N ATOM 0 H LYS A 69 16.212 3.564 -11.245 1.00 0.00 H new ATOM 0 HA LYS A 69 17.428 1.591 -12.829 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.180 4.612 -13.088 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.814 3.587 -14.360 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.675 2.315 -14.440 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.039 3.264 -13.111 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.220 5.341 -14.457 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.970 4.455 -15.770 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.605 4.800 -16.289 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.892 3.089 -16.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.890 3.918 -14.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.001 3.243 -13.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.847 4.929 -13.961 1.00 0.00 H new ATOM 1069 N TRP A 70 19.529 3.759 -11.467 1.00 0.00 N ATOM 1070 CA TRP A 70 20.922 3.956 -11.100 1.00 0.00 C ATOM 1071 C TRP A 70 21.478 2.711 -10.405 1.00 0.00 C ATOM 1072 O TRP A 70 22.579 2.275 -10.725 1.00 0.00 O ATOM 1073 CB TRP A 70 21.060 5.201 -10.222 1.00 0.00 C ATOM 1074 CG TRP A 70 22.441 5.473 -9.721 1.00 0.00 C ATOM 1075 CD1 TRP A 70 23.340 6.294 -10.304 1.00 0.00 C ATOM 1076 CD2 TRP A 70 23.120 4.895 -8.563 1.00 0.00 C ATOM 1077 NE1 TRP A 70 24.528 6.238 -9.613 1.00 0.00 N ATOM 1078 CE2 TRP A 70 24.459 5.382 -8.531 1.00 0.00 C ATOM 1079 CE3 TRP A 70 22.739 4.000 -7.542 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 25.380 4.979 -7.547 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 23.658 3.573 -6.566 1.00 0.00 C ATOM 1082 CH2 TRP A 70 24.976 4.053 -6.573 1.00 0.00 C ATOM 0 H TRP A 70 18.900 4.479 -11.110 1.00 0.00 H new ATOM 0 HA TRP A 70 21.510 4.113 -12.004 1.00 0.00 H new ATOM 0 HB2 TRP A 70 20.719 6.067 -10.790 1.00 0.00 H new ATOM 0 HB3 TRP A 70 20.393 5.099 -9.366 1.00 0.00 H new ATOM 0 HD1 TRP A 70 23.155 6.901 -11.178 1.00 0.00 H new ATOM 0 HE1 TRP A 70 25.362 6.766 -9.869 1.00 0.00 H new ATOM 0 HE3 TRP A 70 21.723 3.636 -7.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.384 5.377 -7.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 23.347 2.871 -5.807 1.00 0.00 H new ATOM 0 HH2 TRP A 70 25.680 3.710 -5.829 1.00 0.00 H new ATOM 1093 N LEU A 71 20.733 2.129 -9.463 1.00 0.00 N ATOM 1094 CA LEU A 71 21.170 0.940 -8.746 1.00 0.00 C ATOM 1095 C LEU A 71 21.260 -0.230 -9.722 1.00 0.00 C ATOM 1096 O LEU A 71 22.239 -0.969 -9.705 1.00 0.00 O ATOM 1097 CB LEU A 71 20.230 0.608 -7.571 1.00 0.00 C ATOM 1098 CG LEU A 71 20.936 0.631 -6.204 1.00 0.00 C ATOM 1099 CD1 LEU A 71 19.905 0.308 -5.117 1.00 0.00 C ATOM 1100 CD2 LEU A 71 22.070 -0.401 -6.113 1.00 0.00 C ATOM 0 H LEU A 71 19.814 2.470 -9.180 1.00 0.00 H new ATOM 0 HA LEU A 71 22.154 1.131 -8.319 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.407 1.323 -7.560 1.00 0.00 H new ATOM 0 HB3 LEU A 71 19.794 -0.378 -7.731 1.00 0.00 H new ATOM 0 HG LEU A 71 21.370 1.622 -6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.390 0.320 -4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 71 19.110 1.053 -5.137 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.481 -0.680 -5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 71 22.536 -0.344 -5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 71 21.665 -1.401 -6.265 1.00 0.00 H new ATOM 0 HD23 LEU A 71 22.816 -0.191 -6.880 1.00 0.00 H new ATOM 1112 N ASN A 72 20.251 -0.386 -10.584 1.00 0.00 N ATOM 1113 CA ASN A 72 20.244 -1.420 -11.612 1.00 0.00 C ATOM 1114 C ASN A 72 21.502 -1.322 -12.480 1.00 0.00 C ATOM 1115 O ASN A 72 22.061 -2.346 -12.867 1.00 0.00 O ATOM 1116 CB ASN A 72 18.972 -1.320 -12.466 1.00 0.00 C ATOM 1117 CG ASN A 72 18.628 -2.593 -13.245 1.00 0.00 C ATOM 1118 OD1 ASN A 72 17.457 -2.844 -13.507 1.00 0.00 O ATOM 1119 ND2 ASN A 72 19.598 -3.419 -13.635 1.00 0.00 N ATOM 0 H ASN A 72 19.418 0.203 -10.585 1.00 0.00 H new ATOM 0 HA ASN A 72 20.247 -2.395 -11.126 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.133 -1.068 -11.817 1.00 0.00 H new ATOM 0 HB3 ASN A 72 19.087 -0.497 -13.172 1.00 0.00 H new ATOM 0 HD21 ASN A 72 19.368 -4.266 -14.155 1.00 0.00 H new ATOM 0 HD22 ASN A 72 20.570 -3.204 -13.414 1.00 0.00 H new ATOM 1126 N ASP A 73 21.928 -0.101 -12.813 1.00 0.00 N ATOM 1127 CA ASP A 73 23.137 0.137 -13.591 1.00 0.00 C ATOM 1128 C ASP A 73 24.400 -0.154 -12.770 1.00 0.00 C ATOM 1129 O ASP A 73 25.232 -0.967 -13.160 1.00 0.00 O ATOM 1130 CB ASP A 73 23.129 1.583 -14.106 1.00 0.00 C ATOM 1131 CG ASP A 73 24.430 1.932 -14.820 1.00 0.00 C ATOM 1132 OD1 ASP A 73 24.575 1.494 -15.981 1.00 0.00 O ATOM 1133 OD2 ASP A 73 25.254 2.631 -14.190 1.00 0.00 O ATOM 0 H ASP A 73 21.438 0.753 -12.547 1.00 0.00 H new ATOM 0 HA ASP A 73 23.150 -0.545 -14.441 1.00 0.00 H new ATOM 0 HB2 ASP A 73 22.290 1.722 -14.788 1.00 0.00 H new ATOM 0 HB3 ASP A 73 22.977 2.266 -13.271 1.00 0.00 H new ATOM 1138 N ALA A 74 24.564 0.556 -11.653 1.00 0.00 N ATOM 1139 CA ALA A 74 25.792 0.580 -10.869 1.00 0.00 C ATOM 1140 C ALA A 74 26.030 -0.727 -10.111 1.00 0.00 C ATOM 1141 O ALA A 74 27.170 -1.162 -9.962 1.00 0.00 O ATOM 1142 CB ALA A 74 25.736 1.762 -9.895 1.00 0.00 C ATOM 0 H ALA A 74 23.827 1.143 -11.262 1.00 0.00 H new ATOM 0 HA ALA A 74 26.630 0.696 -11.556 1.00 0.00 H new ATOM 0 HB1 ALA A 74 26.651 1.789 -9.303 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.639 2.691 -10.456 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.878 1.647 -9.232 1.00 0.00 H new