USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 670 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 25 GLN : amide:sc= -0.319 K(o=-1.9,f=-0.38) USER MOD Set 1.2: A 37 MET CE :methyl -121:sc= -1.54 (180deg=-0.649) USER MOD Single : A 7 ASN : amide:sc= 0.149 X(o=0.15,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -35:sc= 1.03 USER MOD Single : A 16 LYS NZ :NH3+ 147:sc= -0.399 (180deg=-1.48!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0175 X(o=-0.018,f=-0.25) USER MOD Single : A 24 GLN : amide:sc= -0.247 X(o=-0.25,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.26 X(o=-0.26,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 99:sc= 1.1 USER MOD Single : A 45 MET CE :methyl -128:sc= -1.61 (180deg=-5.85!) USER MOD Single : A 46 ASN : amide:sc= -0.0131 X(o=-0.013,f=-0.2) USER MOD Single : A 48 TYR OH : rot 10:sc= 1.08 USER MOD Single : A 50 ASN : amide:sc= 0.968 K(o=0.97,f=-0.096) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 114:sc= -2.64! USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.212 K(o=-0.21,f=-2.5!) USER MOD Single : A 61 GLN : amide:sc= -0.987 K(o=-0.99,f=-6.4!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.06 X(o=-1.1,f=-0.67) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 0.747 K(o=0.75,f=-0.32) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -109:sc= 0.171 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -53:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 63 N ALA A 6 -5.972 20.183 -4.956 1.00 0.00 N ATOM 64 CA ALA A 6 -4.612 20.150 -4.437 1.00 0.00 C ATOM 65 C ALA A 6 -4.410 18.934 -3.543 1.00 0.00 C ATOM 66 O ALA A 6 -3.429 18.198 -3.679 1.00 0.00 O ATOM 67 CB ALA A 6 -4.300 21.430 -3.677 1.00 0.00 C ATOM 0 HA ALA A 6 -3.924 20.074 -5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.280 21.388 -3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.403 22.284 -4.346 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.994 21.537 -2.843 1.00 0.00 H new ATOM 73 N ASN A 7 -5.358 18.711 -2.640 1.00 0.00 N ATOM 74 CA ASN A 7 -5.288 17.569 -1.744 1.00 0.00 C ATOM 75 C ASN A 7 -5.289 16.276 -2.553 1.00 0.00 C ATOM 76 O ASN A 7 -4.403 15.433 -2.397 1.00 0.00 O ATOM 77 CB ASN A 7 -6.463 17.588 -0.760 1.00 0.00 C ATOM 78 CG ASN A 7 -6.010 17.456 0.684 1.00 0.00 C ATOM 79 OD1 ASN A 7 -5.752 16.352 1.164 1.00 0.00 O ATOM 80 ND2 ASN A 7 -5.912 18.582 1.385 1.00 0.00 N ATOM 0 H ASN A 7 -6.178 19.303 -2.511 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.363 17.625 -1.171 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.019 18.518 -0.880 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.147 16.774 -0.999 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.613 18.552 2.360 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.136 19.476 0.948 1.00 0.00 H new ATOM 87 N LYS A 8 -6.285 16.128 -3.424 1.00 0.00 N ATOM 88 CA LYS A 8 -6.399 14.942 -4.262 1.00 0.00 C ATOM 89 C LYS A 8 -5.148 14.745 -5.109 1.00 0.00 C ATOM 90 O LYS A 8 -4.694 13.617 -5.302 1.00 0.00 O ATOM 91 CB LYS A 8 -7.630 15.047 -5.164 1.00 0.00 C ATOM 92 CG LYS A 8 -8.247 13.700 -5.509 1.00 0.00 C ATOM 93 CD LYS A 8 -9.682 13.598 -5.018 1.00 0.00 C ATOM 94 CE LYS A 8 -10.614 14.492 -5.822 1.00 0.00 C ATOM 95 NZ LYS A 8 -11.652 13.706 -6.544 1.00 0.00 N ATOM 0 H LYS A 8 -7.024 16.817 -3.566 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.508 14.077 -3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.380 15.665 -4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.352 15.557 -6.086 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.220 13.553 -6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.652 12.902 -5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -10.019 12.564 -5.088 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -9.728 13.877 -3.965 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.098 15.205 -5.155 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.032 15.071 -6.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.266 14.352 -7.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.192 13.043 -7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.224 13.173 -5.858 1.00 0.00 H new ATOM 109 N ASP A 9 -4.588 15.841 -5.614 1.00 0.00 N ATOM 110 CA ASP A 9 -3.385 15.760 -6.435 1.00 0.00 C ATOM 111 C ASP A 9 -2.267 15.095 -5.644 1.00 0.00 C ATOM 112 O ASP A 9 -1.565 14.221 -6.155 1.00 0.00 O ATOM 113 CB ASP A 9 -2.969 17.153 -6.944 1.00 0.00 C ATOM 114 CG ASP A 9 -1.842 17.790 -6.147 1.00 0.00 C ATOM 115 OD1 ASP A 9 -0.731 17.218 -6.120 1.00 0.00 O ATOM 116 OD2 ASP A 9 -2.068 18.868 -5.559 1.00 0.00 O ATOM 0 H ASP A 9 -4.944 16.786 -5.471 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.595 15.149 -7.313 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.662 17.071 -7.987 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.837 17.812 -6.918 1.00 0.00 H new ATOM 121 N LEU A 10 -2.119 15.500 -4.386 1.00 0.00 N ATOM 122 CA LEU A 10 -1.099 14.922 -3.524 1.00 0.00 C ATOM 123 C LEU A 10 -1.345 13.427 -3.364 1.00 0.00 C ATOM 124 O LEU A 10 -0.417 12.619 -3.460 1.00 0.00 O ATOM 125 CB LEU A 10 -1.107 15.615 -2.159 1.00 0.00 C ATOM 126 CG LEU A 10 -0.200 14.987 -1.100 1.00 0.00 C ATOM 127 CD1 LEU A 10 1.182 15.618 -1.133 1.00 0.00 C ATOM 128 CD2 LEU A 10 -0.820 15.132 0.281 1.00 0.00 C ATOM 0 H LEU A 10 -2.689 16.222 -3.945 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.120 15.070 -3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.811 16.655 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.129 15.622 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.095 13.925 -1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.811 15.157 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.629 15.464 -2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.099 16.687 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.163 14.680 1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.954 16.189 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.788 14.631 0.300 1.00 0.00 H new ATOM 140 N ILE A 11 -2.605 13.057 -3.144 1.00 0.00 N ATOM 141 CA ILE A 11 -2.950 11.651 -2.999 1.00 0.00 C ATOM 142 C ILE A 11 -2.543 10.886 -4.253 1.00 0.00 C ATOM 143 O ILE A 11 -1.820 9.893 -4.176 1.00 0.00 O ATOM 144 CB ILE A 11 -4.459 11.455 -2.749 1.00 0.00 C ATOM 145 CG1 ILE A 11 -4.920 12.309 -1.566 1.00 0.00 C ATOM 146 CG2 ILE A 11 -4.772 9.986 -2.501 1.00 0.00 C ATOM 147 CD1 ILE A 11 -4.136 12.059 -0.295 1.00 0.00 C ATOM 0 H ILE A 11 -3.391 13.702 -3.064 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.410 11.267 -2.134 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.001 11.776 -3.638 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.835 13.362 -1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.975 12.113 -1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.841 9.866 -2.326 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.478 9.399 -3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.221 9.639 -1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.518 12.699 0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.241 11.014 -0.002 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.083 12.283 -0.467 1.00 0.00 H new ATOM 159 N SER A 12 -3.012 11.351 -5.413 1.00 0.00 N ATOM 160 CA SER A 12 -2.691 10.702 -6.681 1.00 0.00 C ATOM 161 C SER A 12 -1.189 10.493 -6.820 1.00 0.00 C ATOM 162 O SER A 12 -0.741 9.448 -7.277 1.00 0.00 O ATOM 163 CB SER A 12 -3.213 11.536 -7.853 1.00 0.00 C ATOM 164 OG SER A 12 -2.550 12.786 -7.926 1.00 0.00 O ATOM 0 H SER A 12 -3.613 12.171 -5.498 1.00 0.00 H new ATOM 0 HA SER A 12 -3.178 9.727 -6.694 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.068 10.989 -8.785 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.285 11.696 -7.740 1.00 0.00 H new ATOM 0 HG SER A 12 -2.346 13.101 -7.021 1.00 0.00 H new ATOM 170 N ALA A 13 -0.416 11.493 -6.417 1.00 0.00 N ATOM 171 CA ALA A 13 1.038 11.396 -6.498 1.00 0.00 C ATOM 172 C ALA A 13 1.523 10.204 -5.687 1.00 0.00 C ATOM 173 O ALA A 13 2.329 9.401 -6.159 1.00 0.00 O ATOM 174 CB ALA A 13 1.693 12.684 -6.018 1.00 0.00 C ATOM 0 H ALA A 13 -0.765 12.372 -6.035 1.00 0.00 H new ATOM 0 HA ALA A 13 1.323 11.248 -7.540 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.777 12.589 -6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.361 13.515 -6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.411 12.872 -4.982 1.00 0.00 H new ATOM 180 N GLY A 14 0.987 10.070 -4.483 1.00 0.00 N ATOM 181 CA GLY A 14 1.334 8.940 -3.639 1.00 0.00 C ATOM 182 C GLY A 14 0.867 7.639 -4.265 1.00 0.00 C ATOM 183 O GLY A 14 1.453 6.577 -4.054 1.00 0.00 O ATOM 0 H GLY A 14 0.318 10.722 -4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.413 8.910 -3.489 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.878 9.060 -2.656 1.00 0.00 H new ATOM 187 N LEU A 15 -0.194 7.753 -5.054 1.00 0.00 N ATOM 188 CA LEU A 15 -0.765 6.612 -5.750 1.00 0.00 C ATOM 189 C LEU A 15 0.152 6.169 -6.882 1.00 0.00 C ATOM 190 O LEU A 15 0.599 5.031 -6.913 1.00 0.00 O ATOM 191 CB LEU A 15 -2.158 6.948 -6.286 1.00 0.00 C ATOM 192 CG LEU A 15 -3.318 6.535 -5.379 1.00 0.00 C ATOM 193 CD1 LEU A 15 -3.378 7.432 -4.151 1.00 0.00 C ATOM 194 CD2 LEU A 15 -4.633 6.584 -6.141 1.00 0.00 C ATOM 0 H LEU A 15 -0.679 8.634 -5.227 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.862 5.789 -5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.215 8.023 -6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.284 6.464 -7.255 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.150 5.510 -5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.209 7.125 -3.516 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.445 7.348 -3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.523 8.466 -4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.448 6.287 -5.480 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.808 7.598 -6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.587 5.902 -6.990 1.00 0.00 H new ATOM 206 N LYS A 16 0.409 7.070 -7.816 1.00 0.00 N ATOM 207 CA LYS A 16 1.260 6.771 -8.964 1.00 0.00 C ATOM 208 C LYS A 16 2.642 6.275 -8.537 1.00 0.00 C ATOM 209 O LYS A 16 3.241 5.427 -9.201 1.00 0.00 O ATOM 210 CB LYS A 16 1.390 8.020 -9.851 1.00 0.00 C ATOM 211 CG LYS A 16 2.463 9.004 -9.401 1.00 0.00 C ATOM 212 CD LYS A 16 2.880 9.928 -10.534 1.00 0.00 C ATOM 213 CE LYS A 16 4.384 10.155 -10.543 1.00 0.00 C ATOM 214 NZ LYS A 16 5.144 8.873 -10.530 1.00 0.00 N ATOM 0 H LYS A 16 0.040 8.021 -7.804 1.00 0.00 H new ATOM 0 HA LYS A 16 0.790 5.967 -9.531 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.609 7.705 -10.871 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.430 8.535 -9.875 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.088 9.596 -8.566 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.332 8.456 -9.038 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.570 9.500 -11.487 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.367 10.884 -10.432 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.658 10.730 -11.428 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.665 10.752 -9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.026 8.987 -11.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.369 8.613 -9.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.568 8.123 -10.963 1.00 0.00 H new ATOM 228 N GLU A 17 3.138 6.805 -7.426 1.00 0.00 N ATOM 229 CA GLU A 17 4.449 6.406 -6.928 1.00 0.00 C ATOM 230 C GLU A 17 4.392 5.017 -6.306 1.00 0.00 C ATOM 231 O GLU A 17 5.259 4.180 -6.560 1.00 0.00 O ATOM 232 CB GLU A 17 5.005 7.431 -5.935 1.00 0.00 C ATOM 233 CG GLU A 17 4.272 7.479 -4.609 1.00 0.00 C ATOM 234 CD GLU A 17 4.813 8.561 -3.693 1.00 0.00 C ATOM 235 OE1 GLU A 17 4.420 9.734 -3.864 1.00 0.00 O ATOM 236 OE2 GLU A 17 5.634 8.237 -2.810 1.00 0.00 O ATOM 0 H GLU A 17 2.659 7.504 -6.858 1.00 0.00 H new ATOM 0 HA GLU A 17 5.131 6.369 -7.778 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.055 7.205 -5.748 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.968 8.420 -6.393 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.211 7.654 -4.788 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.356 6.511 -4.114 1.00 0.00 H new ATOM 243 N PHE A 18 3.370 4.770 -5.498 1.00 0.00 N ATOM 244 CA PHE A 18 3.220 3.468 -4.859 1.00 0.00 C ATOM 245 C PHE A 18 2.807 2.409 -5.876 1.00 0.00 C ATOM 246 O PHE A 18 3.161 1.238 -5.748 1.00 0.00 O ATOM 247 CB PHE A 18 2.200 3.529 -3.720 1.00 0.00 C ATOM 248 CG PHE A 18 2.105 2.255 -2.919 1.00 0.00 C ATOM 249 CD1 PHE A 18 3.122 1.307 -2.961 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.998 2.005 -2.125 1.00 0.00 C ATOM 251 CE1 PHE A 18 3.032 0.139 -2.228 1.00 0.00 C ATOM 252 CE2 PHE A 18 0.903 0.839 -1.389 1.00 0.00 C ATOM 253 CZ PHE A 18 1.921 -0.095 -1.440 1.00 0.00 C ATOM 0 H PHE A 18 2.640 5.445 -5.271 1.00 0.00 H new ATOM 0 HA PHE A 18 4.188 3.191 -4.441 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.464 4.348 -3.052 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.219 3.760 -4.135 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.993 1.486 -3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.199 2.730 -2.080 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.828 -0.589 -2.271 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.034 0.658 -0.774 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.848 -1.006 -0.865 1.00 0.00 H new ATOM 263 N SER A 19 2.059 2.831 -6.892 1.00 0.00 N ATOM 264 CA SER A 19 1.602 1.923 -7.934 1.00 0.00 C ATOM 265 C SER A 19 2.782 1.416 -8.748 1.00 0.00 C ATOM 266 O SER A 19 2.954 0.211 -8.926 1.00 0.00 O ATOM 267 CB SER A 19 0.596 2.623 -8.848 1.00 0.00 C ATOM 268 OG SER A 19 -0.194 1.683 -9.555 1.00 0.00 O ATOM 0 H SER A 19 1.757 3.798 -7.014 1.00 0.00 H new ATOM 0 HA SER A 19 1.111 1.073 -7.460 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.049 3.271 -8.255 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.126 3.262 -9.555 1.00 0.00 H new ATOM 0 HG SER A 19 -0.830 2.157 -10.131 1.00 0.00 H new ATOM 274 N VAL A 20 3.603 2.344 -9.229 1.00 0.00 N ATOM 275 CA VAL A 20 4.776 1.980 -10.008 1.00 0.00 C ATOM 276 C VAL A 20 5.729 1.142 -9.162 1.00 0.00 C ATOM 277 O VAL A 20 6.269 0.139 -9.624 1.00 0.00 O ATOM 278 CB VAL A 20 5.519 3.224 -10.529 1.00 0.00 C ATOM 279 CG1 VAL A 20 6.665 2.819 -11.444 1.00 0.00 C ATOM 280 CG2 VAL A 20 4.559 4.159 -11.249 1.00 0.00 C ATOM 0 H VAL A 20 3.477 3.347 -9.093 1.00 0.00 H new ATOM 0 HA VAL A 20 4.433 1.400 -10.865 1.00 0.00 H new ATOM 0 HB VAL A 20 5.937 3.757 -9.675 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.178 3.712 -11.802 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.367 2.194 -10.893 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.272 2.261 -12.294 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.103 5.032 -11.610 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.108 3.638 -12.094 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.777 4.478 -10.560 1.00 0.00 H new ATOM 290 N LEU A 21 5.917 1.558 -7.916 1.00 0.00 N ATOM 291 CA LEU A 21 6.793 0.848 -6.992 1.00 0.00 C ATOM 292 C LEU A 21 6.292 -0.575 -6.757 1.00 0.00 C ATOM 293 O LEU A 21 7.081 -1.496 -6.545 1.00 0.00 O ATOM 294 CB LEU A 21 6.871 1.607 -5.661 1.00 0.00 C ATOM 295 CG LEU A 21 7.620 0.890 -4.533 1.00 0.00 C ATOM 296 CD1 LEU A 21 9.099 1.235 -4.571 1.00 0.00 C ATOM 297 CD2 LEU A 21 7.020 1.259 -3.182 1.00 0.00 C ATOM 0 H LEU A 21 5.473 2.387 -7.521 1.00 0.00 H new ATOM 0 HA LEU A 21 7.789 0.792 -7.432 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.353 2.568 -5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.856 1.817 -5.323 1.00 0.00 H new ATOM 0 HG LEU A 21 7.516 -0.185 -4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.614 0.717 -3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.520 0.925 -5.527 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.225 2.311 -4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.562 0.742 -2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.097 2.336 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.971 0.963 -3.157 1.00 0.00 H new ATOM 309 N LEU A 22 4.973 -0.744 -6.789 1.00 0.00 N ATOM 310 CA LEU A 22 4.359 -2.050 -6.573 1.00 0.00 C ATOM 311 C LEU A 22 4.489 -2.954 -7.800 1.00 0.00 C ATOM 312 O LEU A 22 4.878 -4.116 -7.686 1.00 0.00 O ATOM 313 CB LEU A 22 2.878 -1.882 -6.217 1.00 0.00 C ATOM 314 CG LEU A 22 2.602 -1.339 -4.813 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.269 -0.605 -4.777 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.617 -2.470 -3.795 1.00 0.00 C ATOM 0 H LEU A 22 4.308 0.009 -6.963 1.00 0.00 H new ATOM 0 HA LEU A 22 4.889 -2.526 -5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.420 -1.212 -6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.385 -2.849 -6.319 1.00 0.00 H new ATOM 0 HG LEU A 22 3.390 -0.631 -4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.089 -0.226 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.293 0.228 -5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.468 -1.291 -5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.419 -2.068 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.849 -3.200 -4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.594 -2.954 -3.803 1.00 0.00 H new ATOM 328 N ASN A 23 4.131 -2.423 -8.966 1.00 0.00 N ATOM 329 CA ASN A 23 4.177 -3.192 -10.209 1.00 0.00 C ATOM 330 C ASN A 23 5.587 -3.285 -10.789 1.00 0.00 C ATOM 331 O ASN A 23 5.967 -4.317 -11.342 1.00 0.00 O ATOM 332 CB ASN A 23 3.235 -2.573 -11.242 1.00 0.00 C ATOM 333 CG ASN A 23 2.752 -3.584 -12.263 1.00 0.00 C ATOM 334 OD1 ASN A 23 2.317 -4.681 -11.910 1.00 0.00 O ATOM 335 ND2 ASN A 23 2.826 -3.219 -13.538 1.00 0.00 N ATOM 0 H ASN A 23 3.805 -1.463 -9.077 1.00 0.00 H new ATOM 0 HA ASN A 23 3.856 -4.206 -9.970 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.376 -2.138 -10.731 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.747 -1.759 -11.755 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.515 -3.858 -14.270 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.193 -2.300 -13.785 1.00 0.00 H new ATOM 342 N GLN A 24 6.357 -2.208 -10.679 1.00 0.00 N ATOM 343 CA GLN A 24 7.717 -2.189 -11.216 1.00 0.00 C ATOM 344 C GLN A 24 8.601 -3.243 -10.553 1.00 0.00 C ATOM 345 O GLN A 24 9.666 -3.580 -11.070 1.00 0.00 O ATOM 346 CB GLN A 24 8.343 -0.803 -11.045 1.00 0.00 C ATOM 347 CG GLN A 24 9.613 -0.606 -11.856 1.00 0.00 C ATOM 348 CD GLN A 24 9.351 0.040 -13.202 1.00 0.00 C ATOM 349 OE1 GLN A 24 9.664 1.211 -13.412 1.00 0.00 O ATOM 350 NE2 GLN A 24 8.770 -0.723 -14.122 1.00 0.00 N ATOM 0 H GLN A 24 6.067 -1.341 -10.226 1.00 0.00 H new ATOM 0 HA GLN A 24 7.650 -2.424 -12.278 1.00 0.00 H new ATOM 0 HB2 GLN A 24 7.615 -0.046 -11.336 1.00 0.00 H new ATOM 0 HB3 GLN A 24 8.566 -0.642 -9.990 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.309 0.013 -11.290 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.096 -1.571 -12.008 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.528 -1.690 -13.904 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.567 -0.342 -15.046 1.00 0.00 H new ATOM 359 N GLN A 25 8.161 -3.762 -9.412 1.00 0.00 N ATOM 360 CA GLN A 25 8.926 -4.775 -8.693 1.00 0.00 C ATOM 361 C GLN A 25 8.798 -6.139 -9.367 1.00 0.00 C ATOM 362 O GLN A 25 7.750 -6.782 -9.295 1.00 0.00 O ATOM 363 CB GLN A 25 8.454 -4.866 -7.241 1.00 0.00 C ATOM 364 CG GLN A 25 9.293 -4.041 -6.278 1.00 0.00 C ATOM 365 CD GLN A 25 10.343 -4.871 -5.564 1.00 0.00 C ATOM 366 OE1 GLN A 25 11.496 -4.931 -5.987 1.00 0.00 O ATOM 367 NE2 GLN A 25 9.945 -5.515 -4.472 1.00 0.00 N ATOM 0 H GLN A 25 7.282 -3.499 -8.966 1.00 0.00 H new ATOM 0 HA GLN A 25 9.975 -4.479 -8.710 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.417 -4.535 -7.183 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.473 -5.909 -6.926 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.782 -3.235 -6.826 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.640 -3.574 -5.540 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.978 -5.436 -4.158 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.607 -6.088 -3.948 1.00 0.00 H new ATOM 376 N VAL A 26 9.872 -6.578 -10.018 1.00 0.00 N ATOM 377 CA VAL A 26 9.881 -7.867 -10.699 1.00 0.00 C ATOM 378 C VAL A 26 10.155 -9.000 -9.714 1.00 0.00 C ATOM 379 O VAL A 26 10.962 -8.852 -8.797 1.00 0.00 O ATOM 380 CB VAL A 26 10.933 -7.904 -11.826 1.00 0.00 C ATOM 381 CG1 VAL A 26 12.334 -7.725 -11.260 1.00 0.00 C ATOM 382 CG2 VAL A 26 10.829 -9.203 -12.612 1.00 0.00 C ATOM 0 H VAL A 26 10.747 -6.059 -10.088 1.00 0.00 H new ATOM 0 HA VAL A 26 8.893 -8.003 -11.140 1.00 0.00 H new ATOM 0 HB VAL A 26 10.735 -7.077 -12.507 1.00 0.00 H new ATOM 0 HG11 VAL A 26 13.061 -7.754 -12.072 1.00 0.00 H new ATOM 0 HG12 VAL A 26 12.400 -6.765 -10.748 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.546 -8.528 -10.554 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.579 -9.211 -13.403 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.998 -10.047 -11.944 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.836 -9.283 -13.053 1.00 0.00 H new ATOM 392 N PHE A 27 9.473 -10.124 -9.901 1.00 0.00 N ATOM 393 CA PHE A 27 9.641 -11.273 -9.017 1.00 0.00 C ATOM 394 C PHE A 27 10.350 -12.427 -9.722 1.00 0.00 C ATOM 395 O PHE A 27 9.794 -13.050 -10.626 1.00 0.00 O ATOM 396 CB PHE A 27 8.281 -11.743 -8.498 1.00 0.00 C ATOM 397 CG PHE A 27 7.577 -10.728 -7.643 1.00 0.00 C ATOM 398 CD1 PHE A 27 7.780 -10.697 -6.273 1.00 0.00 C ATOM 399 CD2 PHE A 27 6.713 -9.805 -8.209 1.00 0.00 C ATOM 400 CE1 PHE A 27 7.135 -9.765 -5.483 1.00 0.00 C ATOM 401 CE2 PHE A 27 6.063 -8.871 -7.424 1.00 0.00 C ATOM 402 CZ PHE A 27 6.276 -8.850 -6.059 1.00 0.00 C ATOM 0 H PHE A 27 8.800 -10.265 -10.654 1.00 0.00 H new ATOM 0 HA PHE A 27 10.262 -10.956 -8.179 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.645 -11.994 -9.347 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.418 -12.658 -7.922 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.451 -11.410 -5.817 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.545 -9.815 -9.276 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.302 -9.752 -4.416 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.390 -8.159 -7.877 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.772 -8.119 -5.444 1.00 0.00 H new ATOM 412 N ASN A 28 11.572 -12.718 -9.287 1.00 0.00 N ATOM 413 CA ASN A 28 12.351 -13.811 -9.859 1.00 0.00 C ATOM 414 C ASN A 28 12.735 -14.808 -8.766 1.00 0.00 C ATOM 415 O ASN A 28 11.964 -15.715 -8.456 1.00 0.00 O ATOM 416 CB ASN A 28 13.596 -13.275 -10.574 1.00 0.00 C ATOM 417 CG ASN A 28 13.427 -13.240 -12.081 1.00 0.00 C ATOM 418 OD1 ASN A 28 14.051 -14.016 -12.805 1.00 0.00 O ATOM 419 ND2 ASN A 28 12.579 -12.338 -12.560 1.00 0.00 N ATOM 0 H ASN A 28 12.045 -12.211 -8.539 1.00 0.00 H new ATOM 0 HA ASN A 28 11.739 -14.327 -10.599 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.815 -12.270 -10.212 1.00 0.00 H new ATOM 0 HB3 ASN A 28 14.453 -13.899 -10.322 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.423 -12.268 -13.566 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.083 -11.715 -11.922 1.00 0.00 H new ATOM 426 N ASP A 29 13.917 -14.640 -8.172 1.00 0.00 N ATOM 427 CA ASP A 29 14.363 -15.531 -7.109 1.00 0.00 C ATOM 428 C ASP A 29 13.781 -15.081 -5.771 1.00 0.00 C ATOM 429 O ASP A 29 13.278 -13.964 -5.657 1.00 0.00 O ATOM 430 CB ASP A 29 15.892 -15.555 -7.041 1.00 0.00 C ATOM 431 CG ASP A 29 16.472 -16.842 -7.594 1.00 0.00 C ATOM 432 OD1 ASP A 29 16.130 -17.204 -8.739 1.00 0.00 O ATOM 433 OD2 ASP A 29 17.271 -17.487 -6.882 1.00 0.00 O ATOM 0 H ASP A 29 14.577 -13.899 -8.409 1.00 0.00 H new ATOM 0 HA ASP A 29 14.010 -16.539 -7.325 1.00 0.00 H new ATOM 0 HB2 ASP A 29 16.292 -14.709 -7.600 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.210 -15.431 -6.006 1.00 0.00 H new ATOM 438 N PRO A 30 13.838 -15.942 -4.739 1.00 0.00 N ATOM 439 CA PRO A 30 13.313 -15.632 -3.410 1.00 0.00 C ATOM 440 C PRO A 30 13.583 -14.187 -2.995 1.00 0.00 C ATOM 441 O PRO A 30 12.684 -13.483 -2.538 1.00 0.00 O ATOM 442 CB PRO A 30 14.055 -16.611 -2.483 1.00 0.00 C ATOM 443 CG PRO A 30 14.924 -17.455 -3.368 1.00 0.00 C ATOM 444 CD PRO A 30 14.414 -17.287 -4.772 1.00 0.00 C ATOM 0 HA PRO A 30 12.229 -15.736 -3.373 1.00 0.00 H new ATOM 0 HB2 PRO A 30 14.655 -16.072 -1.749 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.350 -17.229 -1.927 1.00 0.00 H new ATOM 0 HG2 PRO A 30 15.966 -17.143 -3.296 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.883 -18.501 -3.065 1.00 0.00 H new ATOM 0 HD2 PRO A 30 15.215 -17.368 -5.507 1.00 0.00 H new ATOM 0 HD3 PRO A 30 13.670 -18.041 -5.027 1.00 0.00 H new ATOM 452 N LEU A 31 14.829 -13.754 -3.160 1.00 0.00 N ATOM 453 CA LEU A 31 15.225 -12.394 -2.808 1.00 0.00 C ATOM 454 C LEU A 31 14.908 -12.088 -1.336 1.00 0.00 C ATOM 455 O LEU A 31 15.496 -12.691 -0.437 1.00 0.00 O ATOM 456 CB LEU A 31 14.547 -11.387 -3.744 1.00 0.00 C ATOM 457 CG LEU A 31 15.012 -11.443 -5.200 1.00 0.00 C ATOM 458 CD1 LEU A 31 14.019 -10.731 -6.105 1.00 0.00 C ATOM 459 CD2 LEU A 31 16.397 -10.830 -5.340 1.00 0.00 C ATOM 0 H LEU A 31 15.584 -14.327 -3.536 1.00 0.00 H new ATOM 0 HA LEU A 31 16.304 -12.305 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.470 -11.555 -3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.723 -10.382 -3.361 1.00 0.00 H new ATOM 0 HG LEU A 31 15.066 -12.488 -5.505 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.366 -10.781 -7.137 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.045 -11.213 -6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.933 -9.688 -5.801 1.00 0.00 H new ATOM 0 HD21 LEU A 31 16.713 -10.878 -6.382 1.00 0.00 H new ATOM 0 HD22 LEU A 31 16.369 -9.789 -5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 31 17.104 -11.383 -4.721 1.00 0.00 H new ATOM 471 N VAL A 32 13.988 -11.154 -1.089 1.00 0.00 N ATOM 472 CA VAL A 32 13.621 -10.789 0.278 1.00 0.00 C ATOM 473 C VAL A 32 12.545 -11.727 0.824 1.00 0.00 C ATOM 474 O VAL A 32 11.759 -12.297 0.069 1.00 0.00 O ATOM 475 CB VAL A 32 13.146 -9.310 0.384 1.00 0.00 C ATOM 476 CG1 VAL A 32 12.491 -8.839 -0.907 1.00 0.00 C ATOM 477 CG2 VAL A 32 12.196 -9.112 1.556 1.00 0.00 C ATOM 0 H VAL A 32 13.487 -10.640 -1.814 1.00 0.00 H new ATOM 0 HA VAL A 32 14.521 -10.892 0.884 1.00 0.00 H new ATOM 0 HB VAL A 32 14.036 -8.704 0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.172 -7.803 -0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.206 -8.913 -1.726 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.625 -9.464 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.885 -8.068 1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.320 -9.747 1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 32 12.702 -9.379 2.484 1.00 0.00 H new ATOM 487 N SER A 33 12.521 -11.882 2.146 1.00 0.00 N ATOM 488 CA SER A 33 11.548 -12.749 2.799 1.00 0.00 C ATOM 489 C SER A 33 10.220 -12.027 2.999 1.00 0.00 C ATOM 490 O SER A 33 10.090 -10.845 2.678 1.00 0.00 O ATOM 491 CB SER A 33 12.087 -13.231 4.146 1.00 0.00 C ATOM 492 OG SER A 33 12.445 -12.139 4.975 1.00 0.00 O ATOM 0 H SER A 33 13.166 -11.417 2.785 1.00 0.00 H new ATOM 0 HA SER A 33 11.377 -13.611 2.153 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.333 -13.839 4.646 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.956 -13.869 3.986 1.00 0.00 H new ATOM 0 HG SER A 33 12.785 -12.475 5.830 1.00 0.00 H new ATOM 498 N GLU A 34 9.237 -12.743 3.530 1.00 0.00 N ATOM 499 CA GLU A 34 7.919 -12.167 3.772 1.00 0.00 C ATOM 500 C GLU A 34 7.965 -11.171 4.924 1.00 0.00 C ATOM 501 O GLU A 34 7.254 -10.169 4.916 1.00 0.00 O ATOM 502 CB GLU A 34 6.905 -13.271 4.074 1.00 0.00 C ATOM 503 CG GLU A 34 6.897 -14.387 3.043 1.00 0.00 C ATOM 504 CD GLU A 34 7.599 -15.638 3.533 1.00 0.00 C ATOM 505 OE1 GLU A 34 7.275 -16.102 4.647 1.00 0.00 O ATOM 506 OE2 GLU A 34 8.471 -16.153 2.803 1.00 0.00 O ATOM 0 H GLU A 34 9.326 -13.722 3.801 1.00 0.00 H new ATOM 0 HA GLU A 34 7.609 -11.637 2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.123 -13.695 5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.909 -12.832 4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.866 -14.631 2.785 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.380 -14.037 2.131 1.00 0.00 H new ATOM 513 N GLU A 35 8.801 -11.456 5.915 1.00 0.00 N ATOM 514 CA GLU A 35 8.934 -10.584 7.078 1.00 0.00 C ATOM 515 C GLU A 35 9.611 -9.267 6.707 1.00 0.00 C ATOM 516 O GLU A 35 9.226 -8.206 7.193 1.00 0.00 O ATOM 517 CB GLU A 35 9.729 -11.288 8.179 1.00 0.00 C ATOM 518 CG GLU A 35 9.796 -10.502 9.478 1.00 0.00 C ATOM 519 CD GLU A 35 10.998 -10.876 10.325 1.00 0.00 C ATOM 520 OE1 GLU A 35 12.098 -10.348 10.060 1.00 0.00 O ATOM 521 OE2 GLU A 35 10.838 -11.697 11.253 1.00 0.00 O ATOM 0 H GLU A 35 9.397 -12.283 5.938 1.00 0.00 H new ATOM 0 HA GLU A 35 7.933 -10.360 7.445 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.278 -12.261 8.376 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.743 -11.472 7.823 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.833 -9.436 9.252 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.885 -10.675 10.051 1.00 0.00 H new ATOM 528 N ASP A 36 10.620 -9.339 5.840 1.00 0.00 N ATOM 529 CA ASP A 36 11.336 -8.140 5.415 1.00 0.00 C ATOM 530 C ASP A 36 10.476 -7.310 4.469 1.00 0.00 C ATOM 531 O ASP A 36 10.470 -6.079 4.533 1.00 0.00 O ATOM 532 CB ASP A 36 12.657 -8.517 4.742 1.00 0.00 C ATOM 533 CG ASP A 36 13.850 -8.304 5.653 1.00 0.00 C ATOM 534 OD1 ASP A 36 14.018 -9.093 6.606 1.00 0.00 O ATOM 535 OD2 ASP A 36 14.616 -7.346 5.414 1.00 0.00 O ATOM 0 H ASP A 36 10.957 -10.206 5.422 1.00 0.00 H new ATOM 0 HA ASP A 36 11.555 -7.540 6.298 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.620 -9.562 4.434 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.783 -7.923 3.837 1.00 0.00 H new ATOM 540 N MET A 37 9.727 -7.993 3.612 1.00 0.00 N ATOM 541 CA MET A 37 8.840 -7.320 2.674 1.00 0.00 C ATOM 542 C MET A 37 7.652 -6.738 3.427 1.00 0.00 C ATOM 543 O MET A 37 7.299 -5.572 3.258 1.00 0.00 O ATOM 544 CB MET A 37 8.357 -8.295 1.596 1.00 0.00 C ATOM 545 CG MET A 37 7.692 -7.612 0.412 1.00 0.00 C ATOM 546 SD MET A 37 8.826 -7.348 -0.965 1.00 0.00 S ATOM 547 CE MET A 37 8.524 -5.621 -1.327 1.00 0.00 C ATOM 0 H MET A 37 9.717 -9.011 3.548 1.00 0.00 H new ATOM 0 HA MET A 37 9.387 -6.514 2.185 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.206 -8.878 1.239 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.653 -8.997 2.042 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.851 -8.217 0.074 1.00 0.00 H new ATOM 0 HG3 MET A 37 7.286 -6.652 0.732 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.184 -5.519 -2.358 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.758 -5.236 -0.653 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.445 -5.054 -1.191 1.00 0.00 H new ATOM 557 N VAL A 38 7.055 -7.567 4.274 1.00 0.00 N ATOM 558 CA VAL A 38 5.917 -7.162 5.085 1.00 0.00 C ATOM 559 C VAL A 38 6.284 -5.962 5.956 1.00 0.00 C ATOM 560 O VAL A 38 5.464 -5.073 6.180 1.00 0.00 O ATOM 561 CB VAL A 38 5.434 -8.333 5.972 1.00 0.00 C ATOM 562 CG1 VAL A 38 4.598 -7.843 7.147 1.00 0.00 C ATOM 563 CG2 VAL A 38 4.653 -9.338 5.139 1.00 0.00 C ATOM 0 H VAL A 38 7.345 -8.534 4.417 1.00 0.00 H new ATOM 0 HA VAL A 38 5.106 -6.876 4.415 1.00 0.00 H new ATOM 0 HB VAL A 38 6.316 -8.825 6.383 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.278 -8.695 7.746 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.195 -7.170 7.763 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.722 -7.312 6.774 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.319 -10.157 5.776 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.787 -8.847 4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.293 -9.731 4.349 1.00 0.00 H new ATOM 573 N THR A 39 7.524 -5.941 6.437 1.00 0.00 N ATOM 574 CA THR A 39 7.995 -4.845 7.275 1.00 0.00 C ATOM 575 C THR A 39 8.175 -3.578 6.445 1.00 0.00 C ATOM 576 O THR A 39 7.827 -2.481 6.885 1.00 0.00 O ATOM 577 CB THR A 39 9.315 -5.220 7.954 1.00 0.00 C ATOM 578 OG1 THR A 39 9.139 -6.338 8.806 1.00 0.00 O ATOM 579 CG2 THR A 39 9.903 -4.101 8.787 1.00 0.00 C ATOM 0 H THR A 39 8.218 -6.668 6.261 1.00 0.00 H new ATOM 0 HA THR A 39 7.246 -4.656 8.044 1.00 0.00 H new ATOM 0 HB THR A 39 10.003 -5.444 7.139 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.433 -7.151 8.344 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.837 -4.436 9.239 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.097 -3.237 8.151 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.199 -3.823 9.572 1.00 0.00 H new ATOM 587 N VAL A 40 8.700 -3.738 5.233 1.00 0.00 N ATOM 588 CA VAL A 40 8.901 -2.604 4.341 1.00 0.00 C ATOM 589 C VAL A 40 7.559 -2.073 3.853 1.00 0.00 C ATOM 590 O VAL A 40 7.387 -0.869 3.656 1.00 0.00 O ATOM 591 CB VAL A 40 9.772 -2.985 3.127 1.00 0.00 C ATOM 592 CG1 VAL A 40 10.031 -1.771 2.247 1.00 0.00 C ATOM 593 CG2 VAL A 40 11.083 -3.607 3.585 1.00 0.00 C ATOM 0 H VAL A 40 8.992 -4.637 4.849 1.00 0.00 H new ATOM 0 HA VAL A 40 9.420 -1.830 4.907 1.00 0.00 H new ATOM 0 HB VAL A 40 9.230 -3.723 2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.647 -2.063 1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.082 -1.373 1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.549 -1.006 2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.685 -3.870 2.715 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.629 -2.893 4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.876 -4.505 4.167 1.00 0.00 H new ATOM 603 N VAL A 41 6.606 -2.982 3.670 1.00 0.00 N ATOM 604 CA VAL A 41 5.272 -2.613 3.217 1.00 0.00 C ATOM 605 C VAL A 41 4.542 -1.812 4.291 1.00 0.00 C ATOM 606 O VAL A 41 3.915 -0.794 4.002 1.00 0.00 O ATOM 607 CB VAL A 41 4.442 -3.862 2.856 1.00 0.00 C ATOM 608 CG1 VAL A 41 3.054 -3.469 2.371 1.00 0.00 C ATOM 609 CG2 VAL A 41 5.161 -4.698 1.807 1.00 0.00 C ATOM 0 H VAL A 41 6.735 -3.981 3.829 1.00 0.00 H new ATOM 0 HA VAL A 41 5.387 -1.998 2.324 1.00 0.00 H new ATOM 0 HB VAL A 41 4.327 -4.465 3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.488 -4.367 2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.536 -2.919 3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.143 -2.839 1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.560 -5.575 1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.311 -4.102 0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.128 -5.017 2.196 1.00 0.00 H new ATOM 619 N GLU A 42 4.633 -2.280 5.532 1.00 0.00 N ATOM 620 CA GLU A 42 3.985 -1.607 6.652 1.00 0.00 C ATOM 621 C GLU A 42 4.559 -0.208 6.848 1.00 0.00 C ATOM 622 O GLU A 42 3.818 0.757 7.036 1.00 0.00 O ATOM 623 CB GLU A 42 4.150 -2.430 7.933 1.00 0.00 C ATOM 624 CG GLU A 42 2.830 -2.837 8.567 1.00 0.00 C ATOM 625 CD GLU A 42 2.985 -3.974 9.557 1.00 0.00 C ATOM 626 OE1 GLU A 42 3.519 -3.731 10.660 1.00 0.00 O ATOM 627 OE2 GLU A 42 2.573 -5.107 9.231 1.00 0.00 O ATOM 0 H GLU A 42 5.149 -3.122 5.787 1.00 0.00 H new ATOM 0 HA GLU A 42 2.923 -1.514 6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.727 -3.327 7.707 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.728 -1.852 8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.394 -1.976 9.074 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.132 -3.134 7.785 1.00 0.00 H new ATOM 634 N ASP A 43 5.884 -0.104 6.800 1.00 0.00 N ATOM 635 CA ASP A 43 6.555 1.180 6.970 1.00 0.00 C ATOM 636 C ASP A 43 6.114 2.166 5.892 1.00 0.00 C ATOM 637 O ASP A 43 5.811 3.325 6.179 1.00 0.00 O ATOM 638 CB ASP A 43 8.074 0.998 6.922 1.00 0.00 C ATOM 639 CG ASP A 43 8.679 0.822 8.301 1.00 0.00 C ATOM 640 OD1 ASP A 43 8.815 1.833 9.021 1.00 0.00 O ATOM 641 OD2 ASP A 43 9.016 -0.326 8.659 1.00 0.00 O ATOM 0 H ASP A 43 6.513 -0.892 6.645 1.00 0.00 H new ATOM 0 HA ASP A 43 6.277 1.583 7.944 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.314 0.129 6.309 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.526 1.864 6.438 1.00 0.00 H new ATOM 646 N TRP A 44 6.095 1.699 4.648 1.00 0.00 N ATOM 647 CA TRP A 44 5.708 2.541 3.521 1.00 0.00 C ATOM 648 C TRP A 44 4.279 3.051 3.684 1.00 0.00 C ATOM 649 O TRP A 44 4.011 4.241 3.511 1.00 0.00 O ATOM 650 CB TRP A 44 5.828 1.760 2.211 1.00 0.00 C ATOM 651 CG TRP A 44 7.241 1.546 1.759 1.00 0.00 C ATOM 652 CD1 TRP A 44 8.361 2.160 2.240 1.00 0.00 C ATOM 653 CD2 TRP A 44 7.682 0.654 0.730 1.00 0.00 C ATOM 654 NE1 TRP A 44 9.472 1.703 1.573 1.00 0.00 N ATOM 655 CE2 TRP A 44 9.080 0.778 0.641 1.00 0.00 C ATOM 656 CE3 TRP A 44 7.028 -0.239 -0.123 1.00 0.00 C ATOM 657 CZ2 TRP A 44 9.836 0.042 -0.269 1.00 0.00 C ATOM 658 CZ3 TRP A 44 7.777 -0.968 -1.025 1.00 0.00 C ATOM 659 CH2 TRP A 44 9.169 -0.825 -1.092 1.00 0.00 C ATOM 0 H TRP A 44 6.343 0.743 4.394 1.00 0.00 H new ATOM 0 HA TRP A 44 6.382 3.397 3.495 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.345 0.790 2.332 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.284 2.292 1.431 1.00 0.00 H new ATOM 0 HD1 TRP A 44 8.372 2.897 3.029 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.432 2.003 1.744 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.955 -0.357 -0.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.909 0.152 -0.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 7.282 -1.660 -1.690 1.00 0.00 H new ATOM 0 HH2 TRP A 44 9.727 -1.411 -1.807 1.00 0.00 H new ATOM 670 N MET A 45 3.362 2.147 4.009 1.00 0.00 N ATOM 671 CA MET A 45 1.961 2.510 4.186 1.00 0.00 C ATOM 672 C MET A 45 1.780 3.485 5.347 1.00 0.00 C ATOM 673 O MET A 45 1.077 4.489 5.222 1.00 0.00 O ATOM 674 CB MET A 45 1.116 1.258 4.423 1.00 0.00 C ATOM 675 CG MET A 45 1.024 0.347 3.209 1.00 0.00 C ATOM 676 SD MET A 45 -0.257 -0.911 3.380 1.00 0.00 S ATOM 677 CE MET A 45 0.571 -2.095 4.438 1.00 0.00 C ATOM 0 H MET A 45 3.563 1.158 4.155 1.00 0.00 H new ATOM 0 HA MET A 45 1.628 3.004 3.273 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.539 0.697 5.257 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.111 1.559 4.718 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.821 0.948 2.323 1.00 0.00 H new ATOM 0 HG3 MET A 45 1.987 -0.139 3.051 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.514 -3.087 3.989 1.00 0.00 H new ATOM 0 HE2 MET A 45 1.616 -1.810 4.555 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.088 -2.111 5.415 1.00 0.00 H new ATOM 687 N ASN A 46 2.404 3.179 6.480 1.00 0.00 N ATOM 688 CA ASN A 46 2.296 4.024 7.665 1.00 0.00 C ATOM 689 C ASN A 46 2.882 5.413 7.416 1.00 0.00 C ATOM 690 O ASN A 46 2.427 6.402 7.996 1.00 0.00 O ATOM 691 CB ASN A 46 2.998 3.367 8.854 1.00 0.00 C ATOM 692 CG ASN A 46 2.340 3.709 10.176 1.00 0.00 C ATOM 693 OD1 ASN A 46 1.127 3.568 10.333 1.00 0.00 O ATOM 694 ND2 ASN A 46 3.138 4.164 11.135 1.00 0.00 N ATOM 0 H ASN A 46 2.989 2.353 6.603 1.00 0.00 H new ATOM 0 HA ASN A 46 1.236 4.139 7.893 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.997 2.285 8.720 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.040 3.685 8.877 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.751 4.412 12.045 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.138 4.265 10.961 1.00 0.00 H new ATOM 701 N PHE A 47 3.883 5.494 6.549 1.00 0.00 N ATOM 702 CA PHE A 47 4.498 6.777 6.239 1.00 0.00 C ATOM 703 C PHE A 47 3.577 7.588 5.336 1.00 0.00 C ATOM 704 O PHE A 47 3.440 8.800 5.501 1.00 0.00 O ATOM 705 CB PHE A 47 5.887 6.569 5.606 1.00 0.00 C ATOM 706 CG PHE A 47 6.058 7.146 4.223 1.00 0.00 C ATOM 707 CD1 PHE A 47 6.215 8.513 4.037 1.00 0.00 C ATOM 708 CD2 PHE A 47 6.074 6.319 3.110 1.00 0.00 C ATOM 709 CE1 PHE A 47 6.382 9.039 2.770 1.00 0.00 C ATOM 710 CE2 PHE A 47 6.241 6.841 1.843 1.00 0.00 C ATOM 711 CZ PHE A 47 6.396 8.203 1.672 1.00 0.00 C ATOM 0 H PHE A 47 4.282 4.697 6.053 1.00 0.00 H new ATOM 0 HA PHE A 47 4.644 7.341 7.160 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.637 7.012 6.262 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.092 5.499 5.563 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.207 9.173 4.892 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.954 5.253 3.236 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.502 10.104 2.639 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.250 6.185 0.985 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.528 8.613 0.681 1.00 0.00 H new ATOM 721 N TYR A 48 2.930 6.907 4.398 1.00 0.00 N ATOM 722 CA TYR A 48 2.005 7.566 3.492 1.00 0.00 C ATOM 723 C TYR A 48 0.788 8.067 4.262 1.00 0.00 C ATOM 724 O TYR A 48 0.352 9.202 4.080 1.00 0.00 O ATOM 725 CB TYR A 48 1.572 6.612 2.379 1.00 0.00 C ATOM 726 CG TYR A 48 2.595 6.470 1.274 1.00 0.00 C ATOM 727 CD1 TYR A 48 3.261 7.579 0.762 1.00 0.00 C ATOM 728 CD2 TYR A 48 2.895 5.222 0.743 1.00 0.00 C ATOM 729 CE1 TYR A 48 4.196 7.445 -0.249 1.00 0.00 C ATOM 730 CE2 TYR A 48 3.828 5.080 -0.265 1.00 0.00 C ATOM 731 CZ TYR A 48 4.475 6.193 -0.757 1.00 0.00 C ATOM 732 OH TYR A 48 5.405 6.051 -1.761 1.00 0.00 O ATOM 0 H TYR A 48 3.030 5.903 4.247 1.00 0.00 H new ATOM 0 HA TYR A 48 2.511 8.418 3.037 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.375 5.630 2.809 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.634 6.967 1.952 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.045 8.560 1.160 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.390 4.347 1.125 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.704 8.315 -0.638 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.050 4.102 -0.666 1.00 0.00 H new ATOM 0 HH TYR A 48 5.880 6.898 -1.889 1.00 0.00 H new ATOM 742 N ILE A 49 0.245 7.217 5.133 1.00 0.00 N ATOM 743 CA ILE A 49 -0.914 7.592 5.931 1.00 0.00 C ATOM 744 C ILE A 49 -0.602 8.824 6.779 1.00 0.00 C ATOM 745 O ILE A 49 -1.362 9.794 6.786 1.00 0.00 O ATOM 746 CB ILE A 49 -1.386 6.438 6.846 1.00 0.00 C ATOM 747 CG1 ILE A 49 -2.671 6.829 7.570 1.00 0.00 C ATOM 748 CG2 ILE A 49 -0.309 6.063 7.842 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.426 5.650 8.145 1.00 0.00 C ATOM 0 H ILE A 49 0.589 6.271 5.301 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.721 7.821 5.235 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.587 5.567 6.222 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.428 7.522 8.376 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.321 7.362 6.876 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.665 5.249 8.474 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.585 5.743 7.307 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.071 6.927 8.463 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.328 6.004 8.645 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.701 4.967 7.341 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.794 5.129 8.864 1.00 0.00 H new ATOM 761 N ASN A 50 0.534 8.792 7.477 1.00 0.00 N ATOM 762 CA ASN A 50 0.946 9.920 8.302 1.00 0.00 C ATOM 763 C ASN A 50 1.159 11.154 7.427 1.00 0.00 C ATOM 764 O ASN A 50 0.963 12.289 7.860 1.00 0.00 O ATOM 765 CB ASN A 50 2.235 9.586 9.057 1.00 0.00 C ATOM 766 CG ASN A 50 1.967 8.892 10.378 1.00 0.00 C ATOM 767 OD1 ASN A 50 1.982 9.520 11.437 1.00 0.00 O ATOM 768 ND2 ASN A 50 1.720 7.588 10.323 1.00 0.00 N ATOM 0 H ASN A 50 1.179 8.002 7.486 1.00 0.00 H new ATOM 0 HA ASN A 50 0.160 10.128 9.028 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.862 8.948 8.435 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.795 10.503 9.239 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.533 7.068 11.180 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.717 7.107 9.424 1.00 0.00 H new ATOM 775 N TYR A 51 1.578 10.902 6.193 1.00 0.00 N ATOM 776 CA TYR A 51 1.847 11.952 5.216 1.00 0.00 C ATOM 777 C TYR A 51 0.604 12.770 4.876 1.00 0.00 C ATOM 778 O TYR A 51 0.604 13.997 4.984 1.00 0.00 O ATOM 779 CB TYR A 51 2.386 11.298 3.942 1.00 0.00 C ATOM 780 CG TYR A 51 3.092 12.232 2.991 1.00 0.00 C ATOM 781 CD1 TYR A 51 2.474 13.378 2.509 1.00 0.00 C ATOM 782 CD2 TYR A 51 4.377 11.948 2.559 1.00 0.00 C ATOM 783 CE1 TYR A 51 3.122 14.218 1.627 1.00 0.00 C ATOM 784 CE2 TYR A 51 5.033 12.778 1.677 1.00 0.00 C ATOM 785 CZ TYR A 51 4.403 13.914 1.212 1.00 0.00 C ATOM 786 OH TYR A 51 5.054 14.746 0.330 1.00 0.00 O ATOM 0 H TYR A 51 1.742 9.959 5.839 1.00 0.00 H new ATOM 0 HA TYR A 51 2.574 12.639 5.650 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.076 10.503 4.225 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.556 10.827 3.415 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.470 13.616 2.829 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.874 11.060 2.920 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.630 15.108 1.263 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.035 12.541 1.351 1.00 0.00 H new ATOM 0 HH TYR A 51 5.947 14.389 0.141 1.00 0.00 H new ATOM 796 N TYR A 52 -0.436 12.086 4.421 1.00 0.00 N ATOM 797 CA TYR A 52 -1.675 12.743 4.010 1.00 0.00 C ATOM 798 C TYR A 52 -2.498 13.254 5.186 1.00 0.00 C ATOM 799 O TYR A 52 -3.244 14.224 5.046 1.00 0.00 O ATOM 800 CB TYR A 52 -2.510 11.787 3.163 1.00 0.00 C ATOM 801 CG TYR A 52 -1.693 11.068 2.121 1.00 0.00 C ATOM 802 CD1 TYR A 52 -1.022 11.780 1.137 1.00 0.00 C ATOM 803 CD2 TYR A 52 -1.575 9.685 2.130 1.00 0.00 C ATOM 804 CE1 TYR A 52 -0.255 11.137 0.188 1.00 0.00 C ATOM 805 CE2 TYR A 52 -0.812 9.032 1.183 1.00 0.00 C ATOM 806 CZ TYR A 52 -0.154 9.761 0.215 1.00 0.00 C ATOM 807 OH TYR A 52 0.613 9.112 -0.721 1.00 0.00 O ATOM 0 H TYR A 52 -0.449 11.071 4.326 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.392 13.617 3.423 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.987 11.054 3.814 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.307 12.345 2.672 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.102 12.857 1.114 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.087 9.112 2.889 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.262 11.706 -0.570 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.731 7.955 1.200 1.00 0.00 H new ATOM 0 HH TYR A 52 1.380 8.691 -0.280 1.00 0.00 H new ATOM 817 N ARG A 53 -2.369 12.618 6.344 1.00 0.00 N ATOM 818 CA ARG A 53 -3.121 13.055 7.514 1.00 0.00 C ATOM 819 C ARG A 53 -2.675 14.447 7.954 1.00 0.00 C ATOM 820 O ARG A 53 -3.404 15.149 8.655 1.00 0.00 O ATOM 821 CB ARG A 53 -2.964 12.059 8.668 1.00 0.00 C ATOM 822 CG ARG A 53 -1.594 12.093 9.330 1.00 0.00 C ATOM 823 CD ARG A 53 -1.637 11.510 10.735 1.00 0.00 C ATOM 824 NE ARG A 53 -1.537 10.053 10.731 1.00 0.00 N ATOM 825 CZ ARG A 53 -2.585 9.233 10.668 1.00 0.00 C ATOM 826 NH1 ARG A 53 -3.818 9.718 10.587 1.00 0.00 N ATOM 827 NH2 ARG A 53 -2.398 7.920 10.682 1.00 0.00 N ATOM 0 H ARG A 53 -1.762 11.812 6.498 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.175 13.099 7.238 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.725 12.266 9.420 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.151 11.052 8.294 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.882 11.532 8.724 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.235 13.121 9.373 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.821 11.927 11.325 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.566 11.807 11.222 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.607 9.637 10.779 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.969 10.727 10.573 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.614 9.082 10.539 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.453 7.540 10.741 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.199 7.290 10.634 1.00 0.00 H new ATOM 841 N GLN A 54 -1.465 14.835 7.551 1.00 0.00 N ATOM 842 CA GLN A 54 -0.912 16.128 7.912 1.00 0.00 C ATOM 843 C GLN A 54 -1.227 17.180 6.850 1.00 0.00 C ATOM 844 O GLN A 54 -1.330 18.367 7.160 1.00 0.00 O ATOM 845 CB GLN A 54 0.607 15.998 8.114 1.00 0.00 C ATOM 846 CG GLN A 54 1.417 17.153 7.545 1.00 0.00 C ATOM 847 CD GLN A 54 2.896 17.038 7.856 1.00 0.00 C ATOM 848 OE1 GLN A 54 3.443 17.824 8.630 1.00 0.00 O ATOM 849 NE2 GLN A 54 3.553 16.054 7.252 1.00 0.00 N ATOM 0 H GLN A 54 -0.850 14.264 6.971 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.372 16.457 8.844 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.814 15.916 9.181 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.945 15.071 7.652 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.279 17.191 6.464 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.037 18.092 7.948 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.060 15.425 6.618 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.551 15.927 7.422 1.00 0.00 H new ATOM 858 N GLN A 55 -1.371 16.751 5.597 1.00 0.00 N ATOM 859 CA GLN A 55 -1.664 17.676 4.506 1.00 0.00 C ATOM 860 C GLN A 55 -3.142 18.061 4.486 1.00 0.00 C ATOM 861 O GLN A 55 -3.802 17.992 3.449 1.00 0.00 O ATOM 862 CB GLN A 55 -1.266 17.052 3.168 1.00 0.00 C ATOM 863 CG GLN A 55 0.159 16.524 3.142 1.00 0.00 C ATOM 864 CD GLN A 55 1.152 17.555 2.645 1.00 0.00 C ATOM 865 OE1 GLN A 55 0.769 18.609 2.138 1.00 0.00 O ATOM 866 NE2 GLN A 55 2.438 17.256 2.789 1.00 0.00 N ATOM 0 H GLN A 55 -1.290 15.774 5.314 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.082 18.583 4.668 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.951 16.236 2.939 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.383 17.796 2.380 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.443 16.205 4.145 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.205 15.643 2.502 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.711 16.370 3.215 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.153 17.912 2.474 1.00 0.00 H new ATOM 927 N PRO A 60 -12.296 19.066 7.506 1.00 0.00 N ATOM 928 CA PRO A 60 -12.327 17.775 8.208 1.00 0.00 C ATOM 929 C PRO A 60 -12.854 16.636 7.339 1.00 0.00 C ATOM 930 O PRO A 60 -12.244 15.571 7.262 1.00 0.00 O ATOM 931 CB PRO A 60 -13.271 18.030 9.386 1.00 0.00 C ATOM 932 CG PRO A 60 -14.131 19.163 8.946 1.00 0.00 C ATOM 933 CD PRO A 60 -13.267 20.023 8.066 1.00 0.00 C ATOM 0 HA PRO A 60 -11.327 17.457 8.503 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.867 17.146 9.614 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.716 18.282 10.290 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -15.004 18.802 8.402 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -14.500 19.728 9.802 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -13.849 20.510 7.284 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -12.773 20.811 8.634 1.00 0.00 H new ATOM 941 N GLN A 61 -13.988 16.866 6.689 1.00 0.00 N ATOM 942 CA GLN A 61 -14.588 15.850 5.830 1.00 0.00 C ATOM 943 C GLN A 61 -13.620 15.438 4.725 1.00 0.00 C ATOM 944 O GLN A 61 -13.585 14.277 4.313 1.00 0.00 O ATOM 945 CB GLN A 61 -15.890 16.371 5.218 1.00 0.00 C ATOM 946 CG GLN A 61 -15.705 17.608 4.353 1.00 0.00 C ATOM 947 CD GLN A 61 -15.816 17.306 2.871 1.00 0.00 C ATOM 948 OE1 GLN A 61 -14.836 16.929 2.228 1.00 0.00 O ATOM 949 NE2 GLN A 61 -17.014 17.469 2.321 1.00 0.00 N ATOM 0 H GLN A 61 -14.509 17.741 6.739 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.810 14.975 6.441 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -16.340 15.581 4.616 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.592 16.600 6.020 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -16.453 18.352 4.625 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -14.729 18.048 4.558 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -17.799 17.783 2.892 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -17.149 17.280 1.328 1.00 0.00 H new ATOM 958 N GLU A 62 -12.833 16.400 4.254 1.00 0.00 N ATOM 959 CA GLU A 62 -11.862 16.144 3.200 1.00 0.00 C ATOM 960 C GLU A 62 -10.739 15.241 3.695 1.00 0.00 C ATOM 961 O GLU A 62 -10.370 14.278 3.021 1.00 0.00 O ATOM 962 CB GLU A 62 -11.283 17.460 2.676 1.00 0.00 C ATOM 963 CG GLU A 62 -11.720 17.796 1.258 1.00 0.00 C ATOM 964 CD GLU A 62 -12.535 19.073 1.185 1.00 0.00 C ATOM 965 OE1 GLU A 62 -13.696 19.065 1.646 1.00 0.00 O ATOM 966 OE2 GLU A 62 -12.012 20.082 0.667 1.00 0.00 O ATOM 0 H GLU A 62 -12.850 17.364 4.587 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.378 15.634 2.387 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.583 18.270 3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.195 17.407 2.709 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.839 17.895 0.624 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.309 16.970 0.858 1.00 0.00 H new ATOM 973 N ARG A 63 -10.194 15.545 4.873 1.00 0.00 N ATOM 974 CA ARG A 63 -9.118 14.729 5.417 1.00 0.00 C ATOM 975 C ARG A 63 -9.635 13.348 5.781 1.00 0.00 C ATOM 976 O ARG A 63 -9.037 12.342 5.417 1.00 0.00 O ATOM 977 CB ARG A 63 -8.482 15.394 6.646 1.00 0.00 C ATOM 978 CG ARG A 63 -9.465 15.741 7.753 1.00 0.00 C ATOM 979 CD ARG A 63 -8.763 16.405 8.927 1.00 0.00 C ATOM 980 NE ARG A 63 -8.719 17.860 8.787 1.00 0.00 N ATOM 981 CZ ARG A 63 -9.416 18.708 9.543 1.00 0.00 C ATOM 982 NH1 ARG A 63 -10.229 18.260 10.492 1.00 0.00 N ATOM 983 NH2 ARG A 63 -9.300 20.013 9.344 1.00 0.00 N ATOM 0 H ARG A 63 -10.475 16.334 5.456 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.351 14.632 4.649 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.719 14.728 7.050 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.975 16.305 6.329 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.235 16.407 7.363 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.968 14.836 8.092 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.278 16.145 9.852 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.747 16.018 9.008 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.116 18.251 8.064 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.326 17.257 10.649 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.757 18.919 11.064 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.679 20.365 8.615 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.831 20.666 9.920 1.00 0.00 H new ATOM 997 N ASP A 64 -10.721 13.304 6.544 1.00 0.00 N ATOM 998 CA ASP A 64 -11.262 12.028 6.991 1.00 0.00 C ATOM 999 C ASP A 64 -11.530 11.102 5.813 1.00 0.00 C ATOM 1000 O ASP A 64 -11.215 9.913 5.882 1.00 0.00 O ATOM 1001 CB ASP A 64 -12.545 12.242 7.798 1.00 0.00 C ATOM 1002 CG ASP A 64 -12.285 12.303 9.289 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -12.209 11.230 9.925 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -12.158 13.425 9.824 1.00 0.00 O ATOM 0 H ASP A 64 -11.237 14.124 6.862 1.00 0.00 H new ATOM 0 HA ASP A 64 -10.518 11.556 7.632 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.023 13.168 7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.244 11.432 7.586 1.00 0.00 H new ATOM 1009 N LYS A 65 -12.089 11.624 4.724 1.00 0.00 N ATOM 1010 CA LYS A 65 -12.351 10.793 3.558 1.00 0.00 C ATOM 1011 C LYS A 65 -11.036 10.345 2.934 1.00 0.00 C ATOM 1012 O LYS A 65 -10.882 9.190 2.541 1.00 0.00 O ATOM 1013 CB LYS A 65 -13.192 11.572 2.538 1.00 0.00 C ATOM 1014 CG LYS A 65 -13.376 10.862 1.206 1.00 0.00 C ATOM 1015 CD LYS A 65 -13.660 11.853 0.089 1.00 0.00 C ATOM 1016 CE LYS A 65 -13.079 11.384 -1.235 1.00 0.00 C ATOM 1017 NZ LYS A 65 -14.019 11.613 -2.367 1.00 0.00 N ATOM 0 H LYS A 65 -12.364 12.601 4.627 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.909 9.909 3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -14.173 11.770 2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.721 12.539 2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.479 10.290 0.969 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.198 10.150 1.281 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.737 11.989 -0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.239 12.825 0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.144 11.910 -1.428 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.840 10.322 -1.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.585 11.280 -3.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.902 11.091 -2.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.227 12.629 -2.445 1.00 0.00 H new ATOM 1031 N ALA A 66 -10.093 11.271 2.849 1.00 0.00 N ATOM 1032 CA ALA A 66 -8.787 10.978 2.279 1.00 0.00 C ATOM 1033 C ALA A 66 -8.075 9.888 3.074 1.00 0.00 C ATOM 1034 O ALA A 66 -7.552 8.932 2.502 1.00 0.00 O ATOM 1035 CB ALA A 66 -7.938 12.239 2.228 1.00 0.00 C ATOM 0 H ALA A 66 -10.208 12.233 3.168 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.934 10.613 1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.964 12.005 1.799 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.435 12.988 1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.806 12.630 3.237 1.00 0.00 H new ATOM 1041 N LEU A 67 -8.045 10.044 4.396 1.00 0.00 N ATOM 1042 CA LEU A 67 -7.381 9.081 5.263 1.00 0.00 C ATOM 1043 C LEU A 67 -8.023 7.702 5.168 1.00 0.00 C ATOM 1044 O LEU A 67 -7.323 6.688 5.161 1.00 0.00 O ATOM 1045 CB LEU A 67 -7.391 9.575 6.712 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.073 10.189 7.188 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -5.634 11.310 6.257 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -6.205 10.701 8.613 1.00 0.00 C ATOM 0 H LEU A 67 -8.473 10.829 4.887 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.349 8.988 4.926 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.182 10.316 6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.643 8.739 7.365 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.309 9.411 7.171 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.695 11.733 6.614 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.495 10.914 5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.398 12.087 6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.257 11.134 8.933 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.984 11.462 8.656 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.468 9.875 9.274 1.00 0.00 H new ATOM 1060 N GLN A 68 -9.351 7.654 5.078 1.00 0.00 N ATOM 1061 CA GLN A 68 -10.039 6.376 4.969 1.00 0.00 C ATOM 1062 C GLN A 68 -9.828 5.791 3.580 1.00 0.00 C ATOM 1063 O GLN A 68 -9.569 4.596 3.429 1.00 0.00 O ATOM 1064 CB GLN A 68 -11.534 6.534 5.257 1.00 0.00 C ATOM 1065 CG GLN A 68 -12.250 7.444 4.275 1.00 0.00 C ATOM 1066 CD GLN A 68 -13.738 7.541 4.548 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -14.535 6.795 3.979 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -14.120 8.467 5.419 1.00 0.00 N ATOM 0 H GLN A 68 -9.960 8.472 5.079 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.622 5.695 5.711 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.005 5.551 5.238 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.661 6.929 6.265 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.810 8.440 4.322 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.094 7.074 3.262 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.424 9.064 5.867 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.109 8.582 5.640 1.00 0.00 H new ATOM 1077 N GLU A 69 -9.932 6.644 2.568 1.00 0.00 N ATOM 1078 CA GLU A 69 -9.745 6.218 1.189 1.00 0.00 C ATOM 1079 C GLU A 69 -8.331 5.698 0.981 1.00 0.00 C ATOM 1080 O GLU A 69 -8.122 4.712 0.276 1.00 0.00 O ATOM 1081 CB GLU A 69 -10.026 7.376 0.230 1.00 0.00 C ATOM 1082 CG GLU A 69 -10.249 6.934 -1.207 1.00 0.00 C ATOM 1083 CD GLU A 69 -11.663 6.448 -1.454 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -12.581 7.294 -1.503 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -11.854 5.222 -1.596 1.00 0.00 O ATOM 0 H GLU A 69 -10.145 7.635 2.678 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.448 5.412 0.980 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.906 7.918 0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.189 8.074 0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.032 7.766 -1.877 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.547 6.137 -1.451 1.00 0.00 H new ATOM 1092 N LEU A 70 -7.360 6.357 1.608 1.00 0.00 N ATOM 1093 CA LEU A 70 -5.975 5.931 1.488 1.00 0.00 C ATOM 1094 C LEU A 70 -5.811 4.560 2.123 1.00 0.00 C ATOM 1095 O LEU A 70 -5.240 3.648 1.526 1.00 0.00 O ATOM 1096 CB LEU A 70 -5.045 6.944 2.167 1.00 0.00 C ATOM 1097 CG LEU A 70 -4.220 7.819 1.219 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -3.053 7.031 0.646 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -5.093 8.377 0.102 1.00 0.00 C ATOM 0 H LEU A 70 -7.507 7.177 2.196 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.708 5.873 0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.646 7.594 2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.362 6.402 2.821 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.821 8.658 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.478 7.669 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.412 6.688 1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.431 6.171 0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.486 8.996 -0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.526 7.554 -0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.892 8.981 0.532 1.00 0.00 H new ATOM 1111 N ARG A 71 -6.308 4.428 3.346 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.212 3.174 4.081 1.00 0.00 C ATOM 1113 C ARG A 71 -6.809 2.026 3.275 1.00 0.00 C ATOM 1114 O ARG A 71 -6.240 0.936 3.224 1.00 0.00 O ATOM 1115 CB ARG A 71 -6.927 3.292 5.427 1.00 0.00 C ATOM 1116 CG ARG A 71 -6.410 2.323 6.478 1.00 0.00 C ATOM 1117 CD ARG A 71 -5.439 3.003 7.432 1.00 0.00 C ATOM 1118 NE ARG A 71 -6.114 3.950 8.315 1.00 0.00 N ATOM 1119 CZ ARG A 71 -6.795 3.596 9.402 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -6.892 2.317 9.745 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -7.379 4.522 10.150 1.00 0.00 N ATOM 0 H ARG A 71 -6.783 5.176 3.851 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.157 2.963 4.255 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.818 4.311 5.799 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.993 3.120 5.279 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.249 1.914 7.041 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.914 1.484 5.989 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.930 2.248 8.031 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.673 3.525 6.859 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.060 4.942 8.085 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.443 1.600 9.174 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.415 2.051 10.579 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.306 5.506 9.892 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.901 4.250 10.983 1.00 0.00 H new ATOM 1135 N GLN A 72 -7.948 2.273 2.635 1.00 0.00 N ATOM 1136 CA GLN A 72 -8.597 1.250 1.826 1.00 0.00 C ATOM 1137 C GLN A 72 -7.795 0.990 0.556 1.00 0.00 C ATOM 1138 O GLN A 72 -7.681 -0.149 0.102 1.00 0.00 O ATOM 1139 CB GLN A 72 -10.022 1.679 1.467 1.00 0.00 C ATOM 1140 CG GLN A 72 -11.021 0.533 1.468 1.00 0.00 C ATOM 1141 CD GLN A 72 -11.878 0.509 2.719 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -11.365 0.541 3.838 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -13.192 0.451 2.535 1.00 0.00 N ATOM 0 H GLN A 72 -8.437 3.168 2.661 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.643 0.329 2.407 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.353 2.439 2.175 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -10.015 2.143 0.481 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.665 0.616 0.592 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.485 -0.412 1.381 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.574 0.426 1.590 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.819 0.431 3.339 1.00 0.00 H new ATOM 1152 N GLU A 73 -7.232 2.055 -0.008 1.00 0.00 N ATOM 1153 CA GLU A 73 -6.432 1.946 -1.222 1.00 0.00 C ATOM 1154 C GLU A 73 -5.182 1.113 -0.964 1.00 0.00 C ATOM 1155 O GLU A 73 -4.854 0.217 -1.735 1.00 0.00 O ATOM 1156 CB GLU A 73 -6.041 3.336 -1.727 1.00 0.00 C ATOM 1157 CG GLU A 73 -7.095 3.982 -2.611 1.00 0.00 C ATOM 1158 CD GLU A 73 -7.140 3.378 -4.000 1.00 0.00 C ATOM 1159 OE1 GLU A 73 -7.778 2.318 -4.168 1.00 0.00 O ATOM 1160 OE2 GLU A 73 -6.536 3.966 -4.923 1.00 0.00 O ATOM 0 H GLU A 73 -7.316 3.004 0.357 1.00 0.00 H new ATOM 0 HA GLU A 73 -7.031 1.450 -1.985 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.850 3.984 -0.871 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.107 3.261 -2.285 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.073 3.876 -2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.893 5.050 -2.690 1.00 0.00 H new ATOM 1167 N LEU A 74 -4.508 1.399 0.146 1.00 0.00 N ATOM 1168 CA LEU A 74 -3.316 0.648 0.520 1.00 0.00 C ATOM 1169 C LEU A 74 -3.708 -0.780 0.882 1.00 0.00 C ATOM 1170 O LEU A 74 -3.063 -1.744 0.471 1.00 0.00 O ATOM 1171 CB LEU A 74 -2.606 1.317 1.699 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.260 2.793 1.493 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -2.133 3.503 2.830 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -0.975 2.929 0.689 1.00 0.00 C ATOM 0 H LEU A 74 -4.765 2.140 0.798 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.628 0.630 -0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.238 1.228 2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.687 0.770 1.908 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.068 3.263 0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.887 4.552 2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.077 3.434 3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.344 3.034 3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.742 3.985 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.158 2.444 1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.103 2.455 -0.284 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.767 -0.892 1.679 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.258 -2.188 2.138 1.00 0.00 C ATOM 1188 C ASN A 75 -5.486 -3.132 0.966 1.00 0.00 C ATOM 1189 O ASN A 75 -5.094 -4.299 1.013 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.557 -2.017 2.930 1.00 0.00 C ATOM 1191 CG ASN A 75 -6.328 -2.045 4.429 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -5.992 -3.084 4.998 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -6.511 -0.900 5.077 1.00 0.00 N ATOM 0 H ASN A 75 -5.304 -0.096 2.022 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.499 -2.623 2.788 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.026 -1.072 2.654 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.253 -2.810 2.657 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.373 -0.858 6.087 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.790 -0.063 4.565 1.00 0.00 H new ATOM 1200 N THR A 76 -6.104 -2.625 -0.090 1.00 0.00 N ATOM 1201 CA THR A 76 -6.358 -3.436 -1.272 1.00 0.00 C ATOM 1202 C THR A 76 -5.104 -3.510 -2.138 1.00 0.00 C ATOM 1203 O THR A 76 -4.688 -4.587 -2.543 1.00 0.00 O ATOM 1204 CB THR A 76 -7.532 -2.870 -2.077 1.00 0.00 C ATOM 1205 OG1 THR A 76 -7.807 -3.686 -3.200 1.00 0.00 O ATOM 1206 CG2 THR A 76 -7.300 -1.462 -2.581 1.00 0.00 C ATOM 0 H THR A 76 -6.437 -1.663 -0.154 1.00 0.00 H new ATOM 0 HA THR A 76 -6.622 -4.443 -0.949 1.00 0.00 H new ATOM 0 HB THR A 76 -8.371 -2.852 -1.382 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.561 -3.310 -3.701 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.173 -1.128 -3.142 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.135 -0.795 -1.735 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.424 -1.448 -3.230 1.00 0.00 H new ATOM 1214 N LEU A 77 -4.522 -2.353 -2.429 1.00 0.00 N ATOM 1215 CA LEU A 77 -3.324 -2.270 -3.267 1.00 0.00 C ATOM 1216 C LEU A 77 -2.247 -3.266 -2.823 1.00 0.00 C ATOM 1217 O LEU A 77 -1.685 -3.993 -3.644 1.00 0.00 O ATOM 1218 CB LEU A 77 -2.755 -0.849 -3.223 1.00 0.00 C ATOM 1219 CG LEU A 77 -3.400 0.145 -4.194 1.00 0.00 C ATOM 1220 CD1 LEU A 77 -2.706 1.498 -4.114 1.00 0.00 C ATOM 1221 CD2 LEU A 77 -3.360 -0.397 -5.616 1.00 0.00 C ATOM 0 H LEU A 77 -4.861 -1.451 -2.096 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.617 -2.523 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.863 -0.463 -2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.687 -0.896 -3.434 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.443 0.279 -3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.178 2.191 -4.811 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.789 1.890 -3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.654 1.383 -4.374 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.822 0.322 -6.292 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.324 -0.561 -5.914 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.905 -1.340 -5.661 1.00 0.00 H new ATOM 1233 N ALA A 78 -1.962 -3.287 -1.526 1.00 0.00 N ATOM 1234 CA ALA A 78 -0.952 -4.185 -0.966 1.00 0.00 C ATOM 1235 C ALA A 78 -1.445 -5.631 -0.861 1.00 0.00 C ATOM 1236 O ALA A 78 -0.646 -6.565 -0.805 1.00 0.00 O ATOM 1237 CB ALA A 78 -0.501 -3.684 0.397 1.00 0.00 C ATOM 0 H ALA A 78 -2.418 -2.689 -0.837 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.106 -4.184 -1.654 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.251 -4.361 0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.074 -2.687 0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.356 -3.645 1.072 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.761 -5.802 -0.786 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.358 -7.129 -0.629 1.00 0.00 C ATOM 1245 C ASN A 79 -2.844 -8.141 -1.660 1.00 0.00 C ATOM 1246 O ASN A 79 -2.450 -9.247 -1.292 1.00 0.00 O ATOM 1247 CB ASN A 79 -4.882 -7.028 -0.728 1.00 0.00 C ATOM 1248 CG ASN A 79 -5.585 -8.081 0.107 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -5.572 -9.265 -0.227 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -6.206 -7.652 1.200 1.00 0.00 N ATOM 0 H ASN A 79 -3.437 -5.039 -0.831 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.064 -7.494 0.355 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.200 -6.038 -0.402 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.184 -7.133 -1.770 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.698 -8.314 1.800 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.191 -6.661 1.439 1.00 0.00 H new ATOM 1257 N PRO A 80 -2.847 -7.800 -2.959 1.00 0.00 N ATOM 1258 CA PRO A 80 -2.385 -8.715 -4.007 1.00 0.00 C ATOM 1259 C PRO A 80 -0.875 -8.924 -3.987 1.00 0.00 C ATOM 1260 O PRO A 80 -0.381 -9.950 -4.454 1.00 0.00 O ATOM 1261 CB PRO A 80 -2.805 -8.018 -5.301 1.00 0.00 C ATOM 1262 CG PRO A 80 -2.856 -6.575 -4.947 1.00 0.00 C ATOM 1263 CD PRO A 80 -3.311 -6.520 -3.517 1.00 0.00 C ATOM 0 HA PRO A 80 -2.808 -9.712 -3.882 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.090 -8.205 -6.103 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.774 -8.376 -5.648 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.878 -6.109 -5.064 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.545 -6.037 -5.598 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.876 -5.671 -2.990 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.394 -6.419 -3.444 1.00 0.00 H new ATOM 1271 N PHE A 81 -0.138 -7.956 -3.445 1.00 0.00 N ATOM 1272 CA PHE A 81 1.315 -8.053 -3.379 1.00 0.00 C ATOM 1273 C PHE A 81 1.745 -9.106 -2.367 1.00 0.00 C ATOM 1274 O PHE A 81 2.517 -10.011 -2.687 1.00 0.00 O ATOM 1275 CB PHE A 81 1.880 -6.689 -2.974 1.00 0.00 C ATOM 1276 CG PHE A 81 3.343 -6.501 -3.257 1.00 0.00 C ATOM 1277 CD1 PHE A 81 4.294 -7.358 -2.725 1.00 0.00 C ATOM 1278 CD2 PHE A 81 3.768 -5.441 -4.040 1.00 0.00 C ATOM 1279 CE1 PHE A 81 5.639 -7.163 -2.977 1.00 0.00 C ATOM 1280 CE2 PHE A 81 5.109 -5.238 -4.292 1.00 0.00 C ATOM 1281 CZ PHE A 81 6.047 -6.102 -3.762 1.00 0.00 C ATOM 0 H PHE A 81 -0.523 -7.099 -3.047 1.00 0.00 H new ATOM 0 HA PHE A 81 1.697 -8.347 -4.357 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.321 -5.911 -3.495 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.710 -6.544 -1.907 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.981 -8.187 -2.107 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.039 -4.763 -4.459 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.370 -7.840 -2.560 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.425 -4.405 -4.903 1.00 0.00 H new ATOM 0 HZ PHE A 81 7.097 -5.949 -3.961 1.00 0.00 H new ATOM 1291 N LEU A 82 1.254 -8.973 -1.140 1.00 0.00 N ATOM 1292 CA LEU A 82 1.601 -9.903 -0.074 1.00 0.00 C ATOM 1293 C LEU A 82 1.259 -11.337 -0.453 1.00 0.00 C ATOM 1294 O LEU A 82 2.037 -12.253 -0.190 1.00 0.00 O ATOM 1295 CB LEU A 82 0.885 -9.517 1.221 1.00 0.00 C ATOM 1296 CG LEU A 82 1.153 -8.091 1.708 1.00 0.00 C ATOM 1297 CD1 LEU A 82 0.198 -7.724 2.834 1.00 0.00 C ATOM 1298 CD2 LEU A 82 2.598 -7.945 2.163 1.00 0.00 C ATOM 0 H LEU A 82 0.614 -8.230 -0.860 1.00 0.00 H new ATOM 0 HA LEU A 82 2.678 -9.844 0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.188 -9.639 1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.182 -10.214 2.004 1.00 0.00 H new ATOM 0 HG LEU A 82 0.984 -7.406 0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.403 -6.707 3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.829 -7.788 2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.335 -8.414 3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.770 -6.925 2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.794 -8.640 2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.266 -8.165 1.330 1.00 0.00 H new ATOM 1310 N ALA A 83 0.098 -11.538 -1.065 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.318 -12.874 -1.464 1.00 0.00 C ATOM 1312 C ALA A 83 0.568 -13.412 -2.576 1.00 0.00 C ATOM 1313 O ALA A 83 0.975 -14.574 -2.554 1.00 0.00 O ATOM 1314 CB ALA A 83 -1.777 -12.871 -1.897 1.00 0.00 C ATOM 0 H ALA A 83 -0.566 -10.799 -1.294 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.213 -13.532 -0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.071 -13.878 -2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.402 -12.539 -1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.904 -12.194 -2.742 1.00 0.00 H new ATOM 1320 N LYS A 84 0.873 -12.563 -3.548 1.00 0.00 N ATOM 1321 CA LYS A 84 1.723 -12.965 -4.659 1.00 0.00 C ATOM 1322 C LYS A 84 3.112 -13.343 -4.156 1.00 0.00 C ATOM 1323 O LYS A 84 3.738 -14.273 -4.669 1.00 0.00 O ATOM 1324 CB LYS A 84 1.828 -11.841 -5.691 1.00 0.00 C ATOM 1325 CG LYS A 84 1.841 -12.335 -7.129 1.00 0.00 C ATOM 1326 CD LYS A 84 3.258 -12.586 -7.621 1.00 0.00 C ATOM 1327 CE LYS A 84 3.337 -13.838 -8.478 1.00 0.00 C ATOM 1328 NZ LYS A 84 4.312 -13.689 -9.593 1.00 0.00 N ATOM 0 H LYS A 84 0.547 -11.598 -3.590 1.00 0.00 H new ATOM 0 HA LYS A 84 1.272 -13.835 -5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.990 -11.157 -5.558 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.738 -11.270 -5.503 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.261 -13.255 -7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.357 -11.600 -7.772 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.601 -11.727 -8.198 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.928 -12.685 -6.767 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.624 -14.686 -7.856 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.351 -14.061 -8.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.335 -14.565 -10.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.025 -12.896 -10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.258 -13.502 -9.204 1.00 0.00 H new ATOM 1342 N TYR A 85 3.584 -12.631 -3.136 1.00 0.00 N ATOM 1343 CA TYR A 85 4.896 -12.921 -2.577 1.00 0.00 C ATOM 1344 C TYR A 85 4.839 -14.160 -1.694 1.00 0.00 C ATOM 1345 O TYR A 85 5.649 -15.071 -1.847 1.00 0.00 O ATOM 1346 CB TYR A 85 5.444 -11.729 -1.791 1.00 0.00 C ATOM 1347 CG TYR A 85 6.951 -11.619 -1.868 1.00 0.00 C ATOM 1348 CD1 TYR A 85 7.613 -11.790 -3.077 1.00 0.00 C ATOM 1349 CD2 TYR A 85 7.712 -11.359 -0.735 1.00 0.00 C ATOM 1350 CE1 TYR A 85 8.987 -11.705 -3.158 1.00 0.00 C ATOM 1351 CE2 TYR A 85 9.090 -11.270 -0.808 1.00 0.00 C ATOM 1352 CZ TYR A 85 9.721 -11.444 -2.023 1.00 0.00 C ATOM 1353 OH TYR A 85 11.092 -11.361 -2.102 1.00 0.00 O ATOM 0 H TYR A 85 3.086 -11.862 -2.688 1.00 0.00 H new ATOM 0 HA TYR A 85 5.575 -13.114 -3.407 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.997 -10.811 -2.173 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.144 -11.819 -0.747 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.041 -11.993 -3.970 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.220 -11.224 0.217 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.485 -11.842 -4.107 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.669 -11.066 0.080 1.00 0.00 H new ATOM 0 HH TYR A 85 11.493 -12.145 -1.672 1.00 0.00 H new ATOM 1363 N ARG A 86 3.902 -14.184 -0.750 1.00 0.00 N ATOM 1364 CA ARG A 86 3.796 -15.317 0.162 1.00 0.00 C ATOM 1365 C ARG A 86 3.691 -16.619 -0.627 1.00 0.00 C ATOM 1366 O ARG A 86 4.431 -17.566 -0.364 1.00 0.00 O ATOM 1367 CB ARG A 86 2.593 -15.150 1.101 1.00 0.00 C ATOM 1368 CG ARG A 86 1.256 -15.514 0.471 1.00 0.00 C ATOM 1369 CD ARG A 86 0.105 -15.300 1.441 1.00 0.00 C ATOM 1370 NE ARG A 86 -0.457 -16.565 1.909 1.00 0.00 N ATOM 1371 CZ ARG A 86 -1.195 -16.687 3.011 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -1.465 -15.624 3.759 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -1.666 -17.875 3.364 1.00 0.00 N ATOM 0 H ARG A 86 3.216 -13.445 -0.598 1.00 0.00 H new ATOM 0 HA ARG A 86 4.697 -15.355 0.775 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.747 -15.770 1.984 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.552 -14.115 1.441 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.097 -14.910 -0.422 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.275 -16.556 0.152 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.454 -14.720 2.295 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.675 -14.714 0.955 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.273 -17.404 1.359 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.107 -14.707 3.491 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.031 -15.724 4.602 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.463 -18.695 2.792 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.231 -17.969 4.208 1.00 0.00 H new ATOM 1387 N ASP A 87 2.794 -16.660 -1.607 1.00 0.00 N ATOM 1388 CA ASP A 87 2.642 -17.848 -2.432 1.00 0.00 C ATOM 1389 C ASP A 87 3.896 -18.065 -3.274 1.00 0.00 C ATOM 1390 O ASP A 87 4.329 -19.199 -3.480 1.00 0.00 O ATOM 1391 CB ASP A 87 1.418 -17.716 -3.340 1.00 0.00 C ATOM 1392 CG ASP A 87 0.821 -19.061 -3.706 1.00 0.00 C ATOM 1393 OD1 ASP A 87 0.066 -19.620 -2.882 1.00 0.00 O ATOM 1394 OD2 ASP A 87 1.108 -19.554 -4.817 1.00 0.00 O ATOM 0 H ASP A 87 2.168 -15.891 -1.846 1.00 0.00 H new ATOM 0 HA ASP A 87 2.499 -18.708 -1.778 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.662 -17.110 -2.840 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.700 -17.187 -4.250 1.00 0.00 H new ATOM 1399 N PHE A 88 4.482 -16.967 -3.749 1.00 0.00 N ATOM 1400 CA PHE A 88 5.693 -17.033 -4.561 1.00 0.00 C ATOM 1401 C PHE A 88 6.830 -17.702 -3.785 1.00 0.00 C ATOM 1402 O PHE A 88 7.564 -18.527 -4.329 1.00 0.00 O ATOM 1403 CB PHE A 88 6.103 -15.619 -5.002 1.00 0.00 C ATOM 1404 CG PHE A 88 7.578 -15.447 -5.248 1.00 0.00 C ATOM 1405 CD1 PHE A 88 8.424 -15.063 -4.220 1.00 0.00 C ATOM 1406 CD2 PHE A 88 8.116 -15.669 -6.506 1.00 0.00 C ATOM 1407 CE1 PHE A 88 9.779 -14.902 -4.441 1.00 0.00 C ATOM 1408 CE2 PHE A 88 9.470 -15.509 -6.733 1.00 0.00 C ATOM 1409 CZ PHE A 88 10.303 -15.126 -5.699 1.00 0.00 C ATOM 0 H PHE A 88 4.137 -16.021 -3.585 1.00 0.00 H new ATOM 0 HA PHE A 88 5.488 -17.635 -5.446 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.563 -15.365 -5.914 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.789 -14.908 -4.238 1.00 0.00 H new ATOM 0 HD1 PHE A 88 8.020 -14.887 -3.234 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.470 -15.970 -7.318 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.427 -14.601 -3.631 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.877 -15.683 -7.718 1.00 0.00 H new ATOM 0 HZ PHE A 88 11.361 -15.002 -5.874 1.00 0.00 H new ATOM 1419 N LEU A 89 6.971 -17.333 -2.516 1.00 0.00 N ATOM 1420 CA LEU A 89 8.020 -17.886 -1.668 1.00 0.00 C ATOM 1421 C LEU A 89 7.661 -19.290 -1.190 1.00 0.00 C ATOM 1422 O LEU A 89 8.530 -20.154 -1.063 1.00 0.00 O ATOM 1423 CB LEU A 89 8.264 -16.971 -0.464 1.00 0.00 C ATOM 1424 CG LEU A 89 9.731 -16.621 -0.202 1.00 0.00 C ATOM 1425 CD1 LEU A 89 10.562 -17.884 -0.044 1.00 0.00 C ATOM 1426 CD2 LEU A 89 10.279 -15.756 -1.327 1.00 0.00 C ATOM 0 H LEU A 89 6.370 -16.652 -2.052 1.00 0.00 H new ATOM 0 HA LEU A 89 8.932 -17.951 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.707 -16.046 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.856 -17.451 0.426 1.00 0.00 H new ATOM 0 HG LEU A 89 9.790 -16.055 0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.602 -17.615 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.183 -18.466 0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.498 -18.478 -0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.323 -15.516 -1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.207 -16.297 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.701 -14.834 -1.392 1.00 0.00 H new ATOM 1438 N LYS A 90 6.378 -19.514 -0.928 1.00 0.00 N ATOM 1439 CA LYS A 90 5.910 -20.815 -0.464 1.00 0.00 C ATOM 1440 C LYS A 90 6.071 -21.871 -1.555 1.00 0.00 C ATOM 1441 O LYS A 90 6.218 -23.059 -1.266 1.00 0.00 O ATOM 1442 CB LYS A 90 4.444 -20.730 -0.029 1.00 0.00 C ATOM 1443 CG LYS A 90 4.243 -20.910 1.467 1.00 0.00 C ATOM 1444 CD LYS A 90 4.654 -19.666 2.239 1.00 0.00 C ATOM 1445 CE LYS A 90 3.447 -18.832 2.635 1.00 0.00 C ATOM 1446 NZ LYS A 90 3.806 -17.760 3.604 1.00 0.00 N ATOM 0 H LYS A 90 5.644 -18.813 -1.029 1.00 0.00 H new ATOM 0 HA LYS A 90 6.517 -21.108 0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.040 -19.763 -0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.872 -21.492 -0.559 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.196 -21.136 1.670 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.826 -21.763 1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.206 -19.957 3.133 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.329 -19.065 1.630 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.008 -18.384 1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.687 -19.479 3.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.955 -17.214 3.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.202 -18.189 4.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.512 -17.128 3.176 1.00 0.00 H new ATOM 1460 N SER A 91 6.042 -21.429 -2.807 1.00 0.00 N ATOM 1461 CA SER A 91 6.186 -22.336 -3.940 1.00 0.00 C ATOM 1462 C SER A 91 7.628 -22.815 -4.074 1.00 0.00 C ATOM 1463 O SER A 91 7.902 -24.003 -3.941 1.00 0.00 O ATOM 1464 CB SER A 91 5.746 -21.643 -5.232 1.00 0.00 C ATOM 1465 OG SER A 91 6.609 -20.564 -5.551 1.00 0.00 O ATOM 0 H SER A 91 5.920 -20.449 -3.063 1.00 0.00 H new ATOM 0 HA SER A 91 5.549 -23.203 -3.763 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.740 -22.363 -6.051 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.725 -21.276 -5.123 1.00 0.00 H new ATOM 0 HG SER A 91 6.678 -19.962 -4.781 1.00 0.00 H new