USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 592 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 29 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 33 THR OG1 : rot 100:sc= 1.19 USER MOD Set 2.1: A 23 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 26 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.705) USER MOD Single : A 11 CYS SG : rot 22:sc= 0.221 USER MOD Single : A 14 ASN : amide:sc= -3.77! C(o=-3.8!,f=-17!) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.73 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -101:sc= 0.0776 USER MOD Single : A 39 THR OG1 : rot 180:sc= -2.17 USER MOD Single : A 41 GLN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 42 TYR OH : rot -101:sc= -0.558 USER MOD Single : A 44 LYS NZ :NH3+ 147:sc= 0.308 (180deg=0.0222) USER MOD Single : A 45 SER OG : rot 1:sc= 0.363 USER MOD Single : A 47 LYS NZ :NH3+ 177:sc= 0.205 (180deg=0.201) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot -78:sc= 0.0296 USER MOD Single : A 55 ASN : amide:sc= -0.154 K(o=-0.15,f=-7.4!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.371 USER MOD Single : A 67 HIS : no HD1:sc= -3.86! K(o=-3.9!,f=-5.1) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -17:sc= 0.48 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -100:sc=-0.00344 (180deg=-0.945) USER MOD Single : A 77 LYS NZ :NH3+ 155:sc= -0.0804 (180deg=-0.764) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.853 4.225 0.454 1.00 0.00 N ATOM 60 CA GLY A 7 -1.658 3.493 0.830 1.00 0.00 C ATOM 61 C GLY A 7 -1.921 2.479 1.927 1.00 0.00 C ATOM 62 O GLY A 7 -2.948 2.538 2.604 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.258 2.981 -0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.895 4.196 1.164 1.00 0.00 H new ATOM 66 N LEU A 8 -0.992 1.545 2.101 1.00 0.00 N ATOM 67 CA LEU A 8 -1.129 0.513 3.122 1.00 0.00 C ATOM 68 C LEU A 8 0.225 0.171 3.735 1.00 0.00 C ATOM 69 O LEU A 8 1.243 0.145 3.043 1.00 0.00 O ATOM 70 CB LEU A 8 -1.761 -0.744 2.522 1.00 0.00 C ATOM 71 CG LEU A 8 -3.285 -0.734 2.394 1.00 0.00 C ATOM 72 CD1 LEU A 8 -3.752 -1.868 1.495 1.00 0.00 C ATOM 73 CD2 LEU A 8 -3.936 -0.836 3.766 1.00 0.00 C ATOM 0 H LEU A 8 -0.137 1.481 1.549 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.777 0.899 3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.334 -0.904 1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.474 -1.599 3.134 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.586 0.210 1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.839 -1.845 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.313 -1.751 0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.439 -2.822 1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.020 -0.827 3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.627 -1.764 4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.627 0.011 4.379 1.00 0.00 H new ATOM 85 N ILE A 9 0.229 -0.092 5.038 1.00 0.00 N ATOM 86 CA ILE A 9 1.458 -0.435 5.744 1.00 0.00 C ATOM 87 C ILE A 9 1.471 -1.908 6.139 1.00 0.00 C ATOM 88 O ILE A 9 0.866 -2.300 7.137 1.00 0.00 O ATOM 89 CB ILE A 9 1.639 0.425 7.008 1.00 0.00 C ATOM 90 CG1 ILE A 9 1.401 1.901 6.685 1.00 0.00 C ATOM 91 CG2 ILE A 9 3.030 0.223 7.591 1.00 0.00 C ATOM 92 CD1 ILE A 9 2.231 2.408 5.526 1.00 0.00 C ATOM 0 H ILE A 9 -0.604 -0.074 5.626 1.00 0.00 H new ATOM 0 HA ILE A 9 2.282 -0.237 5.059 1.00 0.00 H new ATOM 0 HB ILE A 9 0.905 0.112 7.751 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.345 2.049 6.457 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.623 2.498 7.569 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.143 0.838 8.484 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.166 -0.826 7.853 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.779 0.513 6.854 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.010 3.461 5.354 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.290 2.292 5.759 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.992 1.836 4.630 1.00 0.00 H new ATOM 104 N ALA A 10 2.167 -2.720 5.350 1.00 0.00 N ATOM 105 CA ALA A 10 2.263 -4.150 5.619 1.00 0.00 C ATOM 106 C ALA A 10 3.507 -4.471 6.441 1.00 0.00 C ATOM 107 O ALA A 10 4.617 -4.068 6.089 1.00 0.00 O ATOM 108 CB ALA A 10 2.274 -4.932 4.314 1.00 0.00 C ATOM 0 H ALA A 10 2.673 -2.412 4.519 1.00 0.00 H new ATOM 0 HA ALA A 10 1.389 -4.446 6.200 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.346 -5.998 4.529 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.354 -4.734 3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.130 -4.625 3.713 1.00 0.00 H new ATOM 114 N CYS A 11 3.316 -5.197 7.536 1.00 0.00 N ATOM 115 CA CYS A 11 4.423 -5.571 8.409 1.00 0.00 C ATOM 116 C CYS A 11 4.744 -7.055 8.274 1.00 0.00 C ATOM 117 O CYS A 11 3.930 -7.912 8.619 1.00 0.00 O ATOM 118 CB CYS A 11 4.086 -5.240 9.864 1.00 0.00 C ATOM 119 SG CYS A 11 5.516 -5.246 10.971 1.00 0.00 S ATOM 0 H CYS A 11 2.405 -5.539 7.841 1.00 0.00 H new ATOM 0 HA CYS A 11 5.301 -4.999 8.108 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.614 -4.258 9.902 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.354 -5.960 10.229 1.00 0.00 H new ATOM 0 HG CYS A 11 6.602 -5.073 10.278 1.00 0.00 H new ATOM 125 N VAL A 12 5.937 -7.354 7.768 1.00 0.00 N ATOM 126 CA VAL A 12 6.366 -8.736 7.586 1.00 0.00 C ATOM 127 C VAL A 12 7.453 -9.110 8.588 1.00 0.00 C ATOM 128 O VAL A 12 8.388 -8.344 8.820 1.00 0.00 O ATOM 129 CB VAL A 12 6.893 -8.977 6.160 1.00 0.00 C ATOM 130 CG1 VAL A 12 6.519 -10.370 5.681 1.00 0.00 C ATOM 131 CG2 VAL A 12 6.361 -7.915 5.209 1.00 0.00 C ATOM 0 H VAL A 12 6.623 -6.658 7.477 1.00 0.00 H new ATOM 0 HA VAL A 12 5.491 -9.364 7.752 1.00 0.00 H new ATOM 0 HB VAL A 12 7.981 -8.905 6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.900 -10.522 4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.954 -11.113 6.349 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.434 -10.475 5.679 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.744 -8.101 4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.272 -7.952 5.195 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.686 -6.930 5.545 1.00 0.00 H new ATOM 141 N ALA A 13 7.323 -10.293 9.179 1.00 0.00 N ATOM 142 CA ALA A 13 8.296 -10.770 10.154 1.00 0.00 C ATOM 143 C ALA A 13 9.438 -11.516 9.472 1.00 0.00 C ATOM 144 O ALA A 13 10.519 -11.666 10.038 1.00 0.00 O ATOM 145 CB ALA A 13 7.618 -11.666 11.181 1.00 0.00 C ATOM 0 H ALA A 13 6.554 -10.938 9.000 1.00 0.00 H new ATOM 0 HA ALA A 13 8.716 -9.903 10.664 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.356 -12.015 11.903 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.842 -11.103 11.699 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.170 -12.522 10.677 1.00 0.00 H new ATOM 151 N ASN A 14 9.188 -11.981 8.252 1.00 0.00 N ATOM 152 CA ASN A 14 10.197 -12.712 7.492 1.00 0.00 C ATOM 153 C ASN A 14 11.241 -11.761 6.919 1.00 0.00 C ATOM 154 O ASN A 14 11.003 -11.091 5.914 1.00 0.00 O ATOM 155 CB ASN A 14 9.537 -13.505 6.362 1.00 0.00 C ATOM 156 CG ASN A 14 8.309 -14.262 6.827 1.00 0.00 C ATOM 157 OD1 ASN A 14 7.739 -13.961 7.875 1.00 0.00 O ATOM 158 ND2 ASN A 14 7.895 -15.254 6.046 1.00 0.00 N ATOM 0 H ASN A 14 8.297 -11.865 7.769 1.00 0.00 H new ATOM 0 HA ASN A 14 10.697 -13.404 8.170 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.257 -12.823 5.559 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.258 -14.209 5.946 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.074 -15.800 6.307 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.398 -15.469 5.185 1.00 0.00 H new ATOM 165 N ASP A 15 12.402 -11.706 7.565 1.00 0.00 N ATOM 166 CA ASP A 15 13.485 -10.838 7.120 1.00 0.00 C ATOM 167 C ASP A 15 13.932 -11.208 5.708 1.00 0.00 C ATOM 168 O ASP A 15 14.636 -10.443 5.049 1.00 0.00 O ATOM 169 CB ASP A 15 14.670 -10.930 8.083 1.00 0.00 C ATOM 170 CG ASP A 15 14.255 -10.744 9.529 1.00 0.00 C ATOM 171 OD1 ASP A 15 13.054 -10.913 9.829 1.00 0.00 O ATOM 172 OD2 ASP A 15 15.131 -10.430 10.361 1.00 0.00 O ATOM 0 H ASP A 15 12.616 -12.253 8.399 1.00 0.00 H new ATOM 0 HA ASP A 15 13.115 -9.813 7.109 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.153 -11.900 7.968 1.00 0.00 H new ATOM 0 HB3 ASP A 15 15.409 -10.173 7.819 1.00 0.00 H new ATOM 177 N ASP A 16 13.519 -12.385 5.252 1.00 0.00 N ATOM 178 CA ASP A 16 13.877 -12.857 3.919 1.00 0.00 C ATOM 179 C ASP A 16 13.129 -12.071 2.847 1.00 0.00 C ATOM 180 O ASP A 16 13.654 -11.830 1.760 1.00 0.00 O ATOM 181 CB ASP A 16 13.569 -14.349 3.784 1.00 0.00 C ATOM 182 CG ASP A 16 14.310 -15.187 4.807 1.00 0.00 C ATOM 183 OD1 ASP A 16 15.382 -14.746 5.272 1.00 0.00 O ATOM 184 OD2 ASP A 16 13.819 -16.287 5.141 1.00 0.00 O ATOM 0 H ASP A 16 12.936 -13.030 5.785 1.00 0.00 H new ATOM 0 HA ASP A 16 14.947 -12.701 3.779 1.00 0.00 H new ATOM 0 HB2 ASP A 16 12.496 -14.507 3.897 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.837 -14.683 2.782 1.00 0.00 H new ATOM 189 N VAL A 17 11.899 -11.675 3.159 1.00 0.00 N ATOM 190 CA VAL A 17 11.080 -10.916 2.222 1.00 0.00 C ATOM 191 C VAL A 17 11.755 -9.605 1.837 1.00 0.00 C ATOM 192 O VAL A 17 11.390 -8.974 0.845 1.00 0.00 O ATOM 193 CB VAL A 17 9.690 -10.611 2.812 1.00 0.00 C ATOM 194 CG1 VAL A 17 9.000 -9.514 2.015 1.00 0.00 C ATOM 195 CG2 VAL A 17 8.838 -11.872 2.847 1.00 0.00 C ATOM 0 H VAL A 17 11.448 -11.867 4.053 1.00 0.00 H new ATOM 0 HA VAL A 17 10.962 -11.535 1.332 1.00 0.00 H new ATOM 0 HB VAL A 17 9.818 -10.258 3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.020 -9.312 2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.604 -8.607 2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.882 -9.836 0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.859 -11.638 3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.716 -12.257 1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.327 -12.625 3.465 1.00 0.00 H new ATOM 205 N PHE A 18 12.743 -9.200 2.628 1.00 0.00 N ATOM 206 CA PHE A 18 13.470 -7.963 2.372 1.00 0.00 C ATOM 207 C PHE A 18 14.734 -8.232 1.561 1.00 0.00 C ATOM 208 O PHE A 18 15.688 -7.455 1.600 1.00 0.00 O ATOM 209 CB PHE A 18 13.833 -7.276 3.690 1.00 0.00 C ATOM 210 CG PHE A 18 12.638 -6.899 4.518 1.00 0.00 C ATOM 211 CD1 PHE A 18 12.019 -7.835 5.332 1.00 0.00 C ATOM 212 CD2 PHE A 18 12.133 -5.609 4.483 1.00 0.00 C ATOM 213 CE1 PHE A 18 10.919 -7.491 6.095 1.00 0.00 C ATOM 214 CE2 PHE A 18 11.034 -5.260 5.246 1.00 0.00 C ATOM 215 CZ PHE A 18 10.426 -6.202 6.051 1.00 0.00 C ATOM 0 H PHE A 18 13.058 -9.711 3.452 1.00 0.00 H new ATOM 0 HA PHE A 18 12.822 -7.304 1.794 1.00 0.00 H new ATOM 0 HB2 PHE A 18 14.474 -7.939 4.272 1.00 0.00 H new ATOM 0 HB3 PHE A 18 14.414 -6.379 3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.401 -8.845 5.370 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.603 -4.868 3.853 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.446 -8.230 6.725 1.00 0.00 H new ATOM 0 HE2 PHE A 18 10.651 -4.251 5.212 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.566 -5.931 6.646 1.00 0.00 H new ATOM 262 N GLU A 22 14.294 -13.574 -4.115 1.00 0.00 N ATOM 263 CA GLU A 22 13.025 -13.878 -4.767 1.00 0.00 C ATOM 264 C GLU A 22 11.870 -13.792 -3.774 1.00 0.00 C ATOM 265 O GLU A 22 10.800 -13.271 -4.091 1.00 0.00 O ATOM 266 CB GLU A 22 13.070 -15.272 -5.395 1.00 0.00 C ATOM 267 CG GLU A 22 12.066 -15.466 -6.519 1.00 0.00 C ATOM 268 CD GLU A 22 12.732 -15.705 -7.861 1.00 0.00 C ATOM 269 OE1 GLU A 22 13.536 -16.656 -7.963 1.00 0.00 O ATOM 270 OE2 GLU A 22 12.450 -14.942 -8.808 1.00 0.00 O ATOM 0 HA GLU A 22 12.862 -13.139 -5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.073 -15.456 -5.780 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.884 -16.016 -4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.420 -16.312 -6.282 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.427 -14.586 -6.586 1.00 0.00 H new ATOM 277 N THR A 23 12.092 -14.310 -2.569 1.00 0.00 N ATOM 278 CA THR A 23 11.070 -14.293 -1.530 1.00 0.00 C ATOM 279 C THR A 23 10.245 -13.013 -1.591 1.00 0.00 C ATOM 280 O THR A 23 9.025 -13.043 -1.430 1.00 0.00 O ATOM 281 CB THR A 23 11.694 -14.424 -0.128 1.00 0.00 C ATOM 282 OG1 THR A 23 12.469 -15.624 -0.046 1.00 0.00 O ATOM 283 CG2 THR A 23 10.615 -14.436 0.945 1.00 0.00 C ATOM 0 H THR A 23 12.971 -14.746 -2.289 1.00 0.00 H new ATOM 0 HA THR A 23 10.419 -15.149 -1.711 1.00 0.00 H new ATOM 0 HB THR A 23 12.341 -13.563 0.039 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.863 -15.698 0.848 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.079 -14.529 1.927 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.046 -13.507 0.899 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.946 -15.280 0.778 1.00 0.00 H new ATOM 291 N ARG A 24 10.917 -11.891 -1.822 1.00 0.00 N ATOM 292 CA ARG A 24 10.245 -10.600 -1.902 1.00 0.00 C ATOM 293 C ARG A 24 9.098 -10.646 -2.907 1.00 0.00 C ATOM 294 O ARG A 24 7.988 -10.199 -2.618 1.00 0.00 O ATOM 295 CB ARG A 24 11.240 -9.507 -2.298 1.00 0.00 C ATOM 296 CG ARG A 24 10.616 -8.124 -2.403 1.00 0.00 C ATOM 297 CD ARG A 24 11.410 -7.225 -3.337 1.00 0.00 C ATOM 298 NE ARG A 24 12.583 -6.655 -2.681 1.00 0.00 N ATOM 299 CZ ARG A 24 13.349 -5.717 -3.229 1.00 0.00 C ATOM 300 NH1 ARG A 24 13.066 -5.248 -4.436 1.00 0.00 N ATOM 301 NH2 ARG A 24 14.400 -5.249 -2.569 1.00 0.00 N ATOM 0 H ARG A 24 11.927 -11.850 -1.957 1.00 0.00 H new ATOM 0 HA ARG A 24 9.835 -10.370 -0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.046 -9.478 -1.565 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.690 -9.767 -3.256 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.592 -8.212 -2.765 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.567 -7.670 -1.413 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.725 -7.797 -4.210 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.769 -6.420 -3.697 1.00 0.00 H new ATOM 0 HE ARG A 24 12.828 -6.995 -1.751 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.259 -5.607 -4.946 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.655 -4.528 -4.855 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.621 -5.609 -1.640 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.987 -4.529 -2.990 1.00 0.00 H new ATOM 315 N ALA A 25 9.373 -11.190 -4.088 1.00 0.00 N ATOM 316 CA ALA A 25 8.364 -11.296 -5.134 1.00 0.00 C ATOM 317 C ALA A 25 7.090 -11.945 -4.604 1.00 0.00 C ATOM 318 O ALA A 25 5.985 -11.463 -4.854 1.00 0.00 O ATOM 319 CB ALA A 25 8.909 -12.086 -6.315 1.00 0.00 C ATOM 0 H ALA A 25 10.287 -11.564 -4.344 1.00 0.00 H new ATOM 0 HA ALA A 25 8.116 -10.289 -5.468 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.145 -12.157 -7.089 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.787 -11.580 -6.717 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.187 -13.087 -5.986 1.00 0.00 H new ATOM 325 N LYS A 26 7.251 -13.043 -3.872 1.00 0.00 N ATOM 326 CA LYS A 26 6.114 -13.759 -3.306 1.00 0.00 C ATOM 327 C LYS A 26 5.182 -12.803 -2.568 1.00 0.00 C ATOM 328 O LYS A 26 3.963 -12.977 -2.580 1.00 0.00 O ATOM 329 CB LYS A 26 6.598 -14.854 -2.352 1.00 0.00 C ATOM 330 CG LYS A 26 7.333 -15.985 -3.049 1.00 0.00 C ATOM 331 CD LYS A 26 8.130 -16.823 -2.063 1.00 0.00 C ATOM 332 CE LYS A 26 9.266 -17.564 -2.752 1.00 0.00 C ATOM 333 NZ LYS A 26 10.386 -17.855 -1.816 1.00 0.00 N ATOM 0 H LYS A 26 8.158 -13.456 -3.657 1.00 0.00 H new ATOM 0 HA LYS A 26 5.561 -14.218 -4.126 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.256 -14.409 -1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.741 -15.264 -1.817 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.616 -16.619 -3.571 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.003 -15.574 -3.804 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.535 -16.180 -1.281 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.469 -17.540 -1.576 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.890 -18.498 -3.170 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.635 -16.968 -3.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.251 -17.386 -2.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.147 -17.500 -0.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.544 -18.882 -1.772 1.00 0.00 H new ATOM 347 N PHE A 27 5.762 -11.792 -1.929 1.00 0.00 N ATOM 348 CA PHE A 27 4.982 -10.809 -1.187 1.00 0.00 C ATOM 349 C PHE A 27 4.360 -9.784 -2.131 1.00 0.00 C ATOM 350 O PHE A 27 3.227 -9.349 -1.930 1.00 0.00 O ATOM 351 CB PHE A 27 5.865 -10.101 -0.156 1.00 0.00 C ATOM 352 CG PHE A 27 5.281 -8.812 0.348 1.00 0.00 C ATOM 353 CD1 PHE A 27 5.231 -7.693 -0.467 1.00 0.00 C ATOM 354 CD2 PHE A 27 4.780 -8.720 1.636 1.00 0.00 C ATOM 355 CE1 PHE A 27 4.695 -6.505 -0.005 1.00 0.00 C ATOM 356 CE2 PHE A 27 4.242 -7.536 2.104 1.00 0.00 C ATOM 357 CZ PHE A 27 4.198 -6.427 1.281 1.00 0.00 C ATOM 0 H PHE A 27 6.769 -11.632 -1.910 1.00 0.00 H new ATOM 0 HA PHE A 27 4.179 -11.333 -0.669 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.032 -10.770 0.688 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.840 -9.900 -0.601 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.615 -7.749 -1.475 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.810 -9.584 2.283 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.665 -5.639 -0.649 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.857 -7.478 3.111 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.776 -5.501 1.643 1.00 0.00 H new ATOM 367 N GLU A 28 5.111 -9.404 -3.160 1.00 0.00 N ATOM 368 CA GLU A 28 4.632 -8.429 -4.133 1.00 0.00 C ATOM 369 C GLU A 28 3.419 -8.964 -4.889 1.00 0.00 C ATOM 370 O GLU A 28 2.345 -8.363 -4.865 1.00 0.00 O ATOM 371 CB GLU A 28 5.746 -8.073 -5.121 1.00 0.00 C ATOM 372 CG GLU A 28 6.469 -6.781 -4.783 1.00 0.00 C ATOM 373 CD GLU A 28 7.808 -6.661 -5.486 1.00 0.00 C ATOM 374 OE1 GLU A 28 8.402 -7.710 -5.811 1.00 0.00 O ATOM 375 OE2 GLU A 28 8.262 -5.519 -5.708 1.00 0.00 O ATOM 0 H GLU A 28 6.051 -9.755 -3.341 1.00 0.00 H new ATOM 0 HA GLU A 28 4.334 -7.531 -3.592 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.470 -8.888 -5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.320 -7.990 -6.121 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.841 -5.934 -5.059 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.622 -6.726 -3.705 1.00 0.00 H new ATOM 382 N SER A 29 3.600 -10.098 -5.558 1.00 0.00 N ATOM 383 CA SER A 29 2.522 -10.713 -6.325 1.00 0.00 C ATOM 384 C SER A 29 1.184 -10.546 -5.610 1.00 0.00 C ATOM 385 O SER A 29 0.156 -10.300 -6.243 1.00 0.00 O ATOM 386 CB SER A 29 2.811 -12.198 -6.550 1.00 0.00 C ATOM 387 OG SER A 29 1.763 -12.818 -7.275 1.00 0.00 O ATOM 0 H SER A 29 4.482 -10.610 -5.585 1.00 0.00 H new ATOM 0 HA SER A 29 2.464 -10.211 -7.291 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.749 -12.311 -7.093 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.937 -12.697 -5.589 1.00 0.00 H new ATOM 0 HG SER A 29 1.973 -13.766 -7.407 1.00 0.00 H new ATOM 393 N LEU A 30 1.205 -10.682 -4.289 1.00 0.00 N ATOM 394 CA LEU A 30 -0.005 -10.546 -3.487 1.00 0.00 C ATOM 395 C LEU A 30 -0.744 -9.257 -3.829 1.00 0.00 C ATOM 396 O LEU A 30 -1.915 -9.282 -4.211 1.00 0.00 O ATOM 397 CB LEU A 30 0.341 -10.570 -1.997 1.00 0.00 C ATOM 398 CG LEU A 30 0.899 -11.887 -1.458 1.00 0.00 C ATOM 399 CD1 LEU A 30 1.346 -11.726 -0.013 1.00 0.00 C ATOM 400 CD2 LEU A 30 -0.138 -12.994 -1.578 1.00 0.00 C ATOM 0 H LEU A 30 2.047 -10.886 -3.751 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.658 -11.388 -3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.069 -9.783 -1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.557 -10.321 -1.432 1.00 0.00 H new ATOM 0 HG LEU A 30 1.767 -12.164 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.740 -12.674 0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.123 -10.963 0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.496 -11.425 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.276 -13.924 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.025 -12.725 -1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.409 -13.127 -2.625 1.00 0.00 H new ATOM 412 N PHE A 31 -0.053 -8.131 -3.691 1.00 0.00 N ATOM 413 CA PHE A 31 -0.642 -6.830 -3.987 1.00 0.00 C ATOM 414 C PHE A 31 -0.591 -6.537 -5.484 1.00 0.00 C ATOM 415 O PHE A 31 -1.601 -6.186 -6.093 1.00 0.00 O ATOM 416 CB PHE A 31 0.086 -5.729 -3.214 1.00 0.00 C ATOM 417 CG PHE A 31 0.343 -6.075 -1.776 1.00 0.00 C ATOM 418 CD1 PHE A 31 1.421 -6.869 -1.422 1.00 0.00 C ATOM 419 CD2 PHE A 31 -0.494 -5.605 -0.776 1.00 0.00 C ATOM 420 CE1 PHE A 31 1.661 -7.190 -0.099 1.00 0.00 C ATOM 421 CE2 PHE A 31 -0.259 -5.922 0.548 1.00 0.00 C ATOM 422 CZ PHE A 31 0.818 -6.715 0.887 1.00 0.00 C ATOM 0 H PHE A 31 0.916 -8.093 -3.376 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.686 -6.853 -3.675 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.037 -5.520 -3.704 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.504 -4.814 -3.259 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.083 -7.242 -2.190 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.339 -4.984 -1.035 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.505 -7.810 0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.918 -5.549 1.318 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.002 -6.964 1.922 1.00 0.00 H new ATOM 432 N ARG A 32 0.594 -6.682 -6.068 1.00 0.00 N ATOM 433 CA ARG A 32 0.779 -6.432 -7.493 1.00 0.00 C ATOM 434 C ARG A 32 -0.349 -7.059 -8.306 1.00 0.00 C ATOM 435 O ARG A 32 -0.880 -6.444 -9.231 1.00 0.00 O ATOM 436 CB ARG A 32 2.126 -6.986 -7.958 1.00 0.00 C ATOM 437 CG ARG A 32 2.847 -6.083 -8.947 1.00 0.00 C ATOM 438 CD ARG A 32 2.114 -6.018 -10.279 1.00 0.00 C ATOM 439 NE ARG A 32 2.893 -5.321 -11.298 1.00 0.00 N ATOM 440 CZ ARG A 32 3.924 -5.866 -11.936 1.00 0.00 C ATOM 441 NH1 ARG A 32 4.296 -7.109 -11.661 1.00 0.00 N ATOM 442 NH2 ARG A 32 4.582 -5.168 -12.852 1.00 0.00 N ATOM 0 H ARG A 32 1.440 -6.971 -5.577 1.00 0.00 H new ATOM 0 HA ARG A 32 0.762 -5.354 -7.653 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.765 -7.142 -7.089 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.969 -7.962 -8.417 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.934 -5.080 -8.529 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.861 -6.451 -9.106 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.892 -7.029 -10.621 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.159 -5.511 -10.143 1.00 0.00 H new ATOM 0 HE ARG A 32 2.632 -4.363 -11.533 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.791 -7.649 -10.959 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.087 -7.525 -12.152 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.297 -4.213 -13.067 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.373 -5.587 -13.341 1.00 0.00 H new ATOM 456 N THR A 33 -0.712 -8.290 -7.955 1.00 0.00 N ATOM 457 CA THR A 33 -1.775 -9.002 -8.653 1.00 0.00 C ATOM 458 C THR A 33 -3.007 -8.120 -8.823 1.00 0.00 C ATOM 459 O THR A 33 -3.605 -8.073 -9.899 1.00 0.00 O ATOM 460 CB THR A 33 -2.178 -10.286 -7.903 1.00 0.00 C ATOM 461 OG1 THR A 33 -1.189 -11.302 -8.107 1.00 0.00 O ATOM 462 CG2 THR A 33 -3.533 -10.787 -8.378 1.00 0.00 C ATOM 0 H THR A 33 -0.285 -8.814 -7.191 1.00 0.00 H new ATOM 0 HA THR A 33 -1.384 -9.270 -9.634 1.00 0.00 H new ATOM 0 HB THR A 33 -2.247 -10.054 -6.840 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.594 -11.340 -7.329 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.796 -11.694 -7.834 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.288 -10.022 -8.195 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.487 -11.004 -9.445 1.00 0.00 H new ATOM 470 N TYR A 34 -3.382 -7.421 -7.757 1.00 0.00 N ATOM 471 CA TYR A 34 -4.543 -6.542 -7.789 1.00 0.00 C ATOM 472 C TYR A 34 -4.330 -5.392 -8.769 1.00 0.00 C ATOM 473 O TYR A 34 -4.955 -5.339 -9.828 1.00 0.00 O ATOM 474 CB TYR A 34 -4.830 -5.989 -6.391 1.00 0.00 C ATOM 475 CG TYR A 34 -4.680 -7.016 -5.292 1.00 0.00 C ATOM 476 CD1 TYR A 34 -5.203 -8.296 -5.435 1.00 0.00 C ATOM 477 CD2 TYR A 34 -4.016 -6.707 -4.111 1.00 0.00 C ATOM 478 CE1 TYR A 34 -5.068 -9.238 -4.432 1.00 0.00 C ATOM 479 CE2 TYR A 34 -3.877 -7.641 -3.105 1.00 0.00 C ATOM 480 CZ TYR A 34 -4.405 -8.906 -3.269 1.00 0.00 C ATOM 481 OH TYR A 34 -4.268 -9.841 -2.270 1.00 0.00 O ATOM 0 H TYR A 34 -2.898 -7.447 -6.860 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.400 -7.127 -8.124 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.155 -5.156 -6.193 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.844 -5.590 -6.368 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.723 -8.559 -6.344 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.602 -5.719 -3.978 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.479 -10.228 -4.559 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.358 -7.384 -2.194 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.775 -9.448 -1.519 1.00 0.00 H new ATOM 491 N ASP A 35 -3.442 -4.472 -8.407 1.00 0.00 N ATOM 492 CA ASP A 35 -3.143 -3.323 -9.253 1.00 0.00 C ATOM 493 C ASP A 35 -1.761 -3.459 -9.885 1.00 0.00 C ATOM 494 O ASP A 35 -0.846 -4.026 -9.287 1.00 0.00 O ATOM 495 CB ASP A 35 -3.221 -2.030 -8.441 1.00 0.00 C ATOM 496 CG ASP A 35 -4.128 -0.998 -9.081 1.00 0.00 C ATOM 497 OD1 ASP A 35 -3.849 -0.592 -10.229 1.00 0.00 O ATOM 498 OD2 ASP A 35 -5.117 -0.596 -8.435 1.00 0.00 O ATOM 0 H ASP A 35 -2.917 -4.500 -7.533 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.886 -3.287 -10.050 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.583 -2.256 -7.438 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.220 -1.612 -8.332 1.00 0.00 H new ATOM 503 N LYS A 36 -1.616 -2.935 -11.098 1.00 0.00 N ATOM 504 CA LYS A 36 -0.346 -2.997 -11.812 1.00 0.00 C ATOM 505 C LYS A 36 0.510 -1.771 -11.506 1.00 0.00 C ATOM 506 O LYS A 36 1.723 -1.782 -11.715 1.00 0.00 O ATOM 507 CB LYS A 36 -0.589 -3.099 -13.319 1.00 0.00 C ATOM 508 CG LYS A 36 -1.297 -4.377 -13.735 1.00 0.00 C ATOM 509 CD LYS A 36 -0.478 -5.165 -14.743 1.00 0.00 C ATOM 510 CE LYS A 36 -0.638 -6.665 -14.541 1.00 0.00 C ATOM 511 NZ LYS A 36 0.526 -7.423 -15.076 1.00 0.00 N ATOM 0 H LYS A 36 -2.363 -2.462 -11.607 1.00 0.00 H new ATOM 0 HA LYS A 36 0.189 -3.885 -11.476 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.182 -2.243 -13.642 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.368 -3.038 -13.838 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.484 -4.993 -12.856 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.268 -4.133 -14.165 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.788 -4.898 -15.753 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.574 -4.894 -14.650 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.753 -6.878 -13.478 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.549 -7.003 -15.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.379 -8.441 -14.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.621 -7.240 -16.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.392 -7.119 -14.588 1.00 0.00 H new ATOM 525 N ASP A 37 -0.130 -0.717 -11.010 1.00 0.00 N ATOM 526 CA ASP A 37 0.574 0.515 -10.674 1.00 0.00 C ATOM 527 C ASP A 37 0.805 0.616 -9.169 1.00 0.00 C ATOM 528 O ASP A 37 1.035 1.702 -8.636 1.00 0.00 O ATOM 529 CB ASP A 37 -0.218 1.729 -11.163 1.00 0.00 C ATOM 530 CG ASP A 37 0.550 2.549 -12.181 1.00 0.00 C ATOM 531 OD1 ASP A 37 1.040 1.961 -13.168 1.00 0.00 O ATOM 532 OD2 ASP A 37 0.660 3.777 -11.991 1.00 0.00 O ATOM 0 H ASP A 37 -1.134 -0.691 -10.832 1.00 0.00 H new ATOM 0 HA ASP A 37 1.543 0.498 -11.172 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.156 1.393 -11.604 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.474 2.359 -10.311 1.00 0.00 H new ATOM 537 N THR A 38 0.740 -0.525 -8.488 1.00 0.00 N ATOM 538 CA THR A 38 0.940 -0.565 -7.045 1.00 0.00 C ATOM 539 C THR A 38 2.416 -0.425 -6.690 1.00 0.00 C ATOM 540 O THR A 38 3.214 -1.328 -6.942 1.00 0.00 O ATOM 541 CB THR A 38 0.400 -1.875 -6.440 1.00 0.00 C ATOM 542 OG1 THR A 38 0.308 -2.881 -7.453 1.00 0.00 O ATOM 543 CG2 THR A 38 -0.967 -1.656 -5.809 1.00 0.00 C ATOM 0 H THR A 38 0.550 -1.433 -8.913 1.00 0.00 H new ATOM 0 HA THR A 38 0.387 0.276 -6.626 1.00 0.00 H new ATOM 0 HB THR A 38 1.092 -2.204 -5.665 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.623 -2.965 -7.747 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.328 -2.595 -5.388 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.887 -0.911 -5.018 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.666 -1.306 -6.568 1.00 0.00 H new ATOM 551 N THR A 39 2.773 0.712 -6.102 1.00 0.00 N ATOM 552 CA THR A 39 4.154 0.970 -5.713 1.00 0.00 C ATOM 553 C THR A 39 4.488 0.288 -4.390 1.00 0.00 C ATOM 554 O THR A 39 3.706 0.334 -3.441 1.00 0.00 O ATOM 555 CB THR A 39 4.428 2.480 -5.583 1.00 0.00 C ATOM 556 OG1 THR A 39 3.369 3.109 -4.852 1.00 0.00 O ATOM 557 CG2 THR A 39 4.559 3.126 -6.953 1.00 0.00 C ATOM 0 H THR A 39 2.125 1.469 -5.885 1.00 0.00 H new ATOM 0 HA THR A 39 4.787 0.560 -6.500 1.00 0.00 H new ATOM 0 HB THR A 39 5.367 2.612 -5.046 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.551 4.069 -4.772 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.752 4.192 -6.836 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.385 2.665 -7.495 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.634 2.984 -7.512 1.00 0.00 H new ATOM 565 N PHE A 40 5.656 -0.342 -4.335 1.00 0.00 N ATOM 566 CA PHE A 40 6.095 -1.034 -3.127 1.00 0.00 C ATOM 567 C PHE A 40 7.305 -0.339 -2.511 1.00 0.00 C ATOM 568 O PHE A 40 8.260 0.000 -3.209 1.00 0.00 O ATOM 569 CB PHE A 40 6.437 -2.491 -3.445 1.00 0.00 C ATOM 570 CG PHE A 40 5.294 -3.259 -4.043 1.00 0.00 C ATOM 571 CD1 PHE A 40 4.916 -3.051 -5.360 1.00 0.00 C ATOM 572 CD2 PHE A 40 4.595 -4.187 -3.289 1.00 0.00 C ATOM 573 CE1 PHE A 40 3.864 -3.757 -5.914 1.00 0.00 C ATOM 574 CE2 PHE A 40 3.542 -4.896 -3.837 1.00 0.00 C ATOM 575 CZ PHE A 40 3.176 -4.679 -5.151 1.00 0.00 C ATOM 0 H PHE A 40 6.316 -0.388 -5.111 1.00 0.00 H new ATOM 0 HA PHE A 40 5.278 -1.008 -2.406 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.281 -2.515 -4.135 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.759 -2.988 -2.530 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.449 -2.329 -5.961 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.876 -4.359 -2.260 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.581 -3.587 -6.942 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.007 -5.618 -3.239 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.353 -5.230 -5.581 1.00 0.00 H new ATOM 585 N GLN A 41 7.255 -0.129 -1.200 1.00 0.00 N ATOM 586 CA GLN A 41 8.347 0.528 -0.490 1.00 0.00 C ATOM 587 C GLN A 41 8.743 -0.265 0.751 1.00 0.00 C ATOM 588 O GLN A 41 8.038 -0.249 1.761 1.00 0.00 O ATOM 589 CB GLN A 41 7.944 1.949 -0.095 1.00 0.00 C ATOM 590 CG GLN A 41 9.083 2.952 -0.186 1.00 0.00 C ATOM 591 CD GLN A 41 9.131 3.662 -1.524 1.00 0.00 C ATOM 592 OE1 GLN A 41 10.112 3.559 -2.260 1.00 0.00 O ATOM 593 NE2 GLN A 41 8.067 4.388 -1.847 1.00 0.00 N ATOM 0 H GLN A 41 6.471 -0.404 -0.608 1.00 0.00 H new ATOM 0 HA GLN A 41 9.207 0.575 -1.159 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.128 2.279 -0.739 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.561 1.939 0.925 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.976 3.690 0.609 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.029 2.438 -0.018 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.275 4.446 -1.206 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.041 4.888 -2.736 1.00 0.00 H new ATOM 602 N TYR A 42 9.873 -0.957 0.669 1.00 0.00 N ATOM 603 CA TYR A 42 10.362 -1.759 1.786 1.00 0.00 C ATOM 604 C TYR A 42 11.189 -0.908 2.746 1.00 0.00 C ATOM 605 O TYR A 42 12.055 -0.140 2.325 1.00 0.00 O ATOM 606 CB TYR A 42 11.201 -2.929 1.271 1.00 0.00 C ATOM 607 CG TYR A 42 10.404 -3.947 0.487 1.00 0.00 C ATOM 608 CD1 TYR A 42 9.703 -3.580 -0.654 1.00 0.00 C ATOM 609 CD2 TYR A 42 10.354 -5.277 0.889 1.00 0.00 C ATOM 610 CE1 TYR A 42 8.973 -4.507 -1.373 1.00 0.00 C ATOM 611 CE2 TYR A 42 9.627 -6.211 0.176 1.00 0.00 C ATOM 612 CZ TYR A 42 8.939 -5.821 -0.954 1.00 0.00 C ATOM 613 OH TYR A 42 8.214 -6.748 -1.668 1.00 0.00 O ATOM 0 H TYR A 42 10.468 -0.980 -0.159 1.00 0.00 H new ATOM 0 HA TYR A 42 9.500 -2.149 2.326 1.00 0.00 H new ATOM 0 HB2 TYR A 42 12.001 -2.542 0.640 1.00 0.00 H new ATOM 0 HB3 TYR A 42 11.675 -3.425 2.118 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.729 -2.552 -0.985 1.00 0.00 H new ATOM 0 HD2 TYR A 42 10.892 -5.585 1.773 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.432 -4.205 -2.258 1.00 0.00 H new ATOM 0 HE2 TYR A 42 9.598 -7.240 0.502 1.00 0.00 H new ATOM 0 HH TYR A 42 7.363 -6.919 -1.213 1.00 0.00 H new ATOM 623 N PHE A 43 10.915 -1.052 4.038 1.00 0.00 N ATOM 624 CA PHE A 43 11.632 -0.297 5.060 1.00 0.00 C ATOM 625 C PHE A 43 12.562 -1.208 5.855 1.00 0.00 C ATOM 626 O PHE A 43 12.122 -1.949 6.736 1.00 0.00 O ATOM 627 CB PHE A 43 10.643 0.390 6.003 1.00 0.00 C ATOM 628 CG PHE A 43 9.758 1.392 5.318 1.00 0.00 C ATOM 629 CD1 PHE A 43 10.282 2.575 4.822 1.00 0.00 C ATOM 630 CD2 PHE A 43 8.402 1.149 5.169 1.00 0.00 C ATOM 631 CE1 PHE A 43 9.469 3.498 4.193 1.00 0.00 C ATOM 632 CE2 PHE A 43 7.584 2.068 4.539 1.00 0.00 C ATOM 633 CZ PHE A 43 8.119 3.244 4.049 1.00 0.00 C ATOM 0 H PHE A 43 10.202 -1.684 4.403 1.00 0.00 H new ATOM 0 HA PHE A 43 12.235 0.462 4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.020 -0.368 6.478 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.198 0.890 6.797 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.337 2.778 4.928 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.979 0.231 5.550 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.889 4.418 3.814 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.528 1.867 4.430 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.483 3.963 3.554 1.00 0.00 H new ATOM 643 N LYS A 44 13.851 -1.150 5.538 1.00 0.00 N ATOM 644 CA LYS A 44 14.846 -1.968 6.222 1.00 0.00 C ATOM 645 C LYS A 44 15.202 -1.370 7.579 1.00 0.00 C ATOM 646 O LYS A 44 16.377 -1.222 7.915 1.00 0.00 O ATOM 647 CB LYS A 44 16.106 -2.099 5.364 1.00 0.00 C ATOM 648 CG LYS A 44 16.742 -3.476 5.423 1.00 0.00 C ATOM 649 CD LYS A 44 16.805 -4.121 4.049 1.00 0.00 C ATOM 650 CE LYS A 44 17.471 -5.488 4.104 1.00 0.00 C ATOM 651 NZ LYS A 44 18.078 -5.862 2.796 1.00 0.00 N ATOM 0 H LYS A 44 14.232 -0.544 4.811 1.00 0.00 H new ATOM 0 HA LYS A 44 14.418 -2.958 6.382 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.856 -1.868 4.329 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.835 -1.357 5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.748 -3.396 5.835 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.171 -4.113 6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.797 -4.222 3.647 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.356 -3.474 3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 44 18.242 -5.486 4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.735 -6.239 4.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.932 -6.433 2.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.394 -6.414 2.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.333 -5.000 2.273 1.00 0.00 H new ATOM 665 N SER A 45 14.179 -1.029 8.357 1.00 0.00 N ATOM 666 CA SER A 45 14.385 -0.445 9.677 1.00 0.00 C ATOM 667 C SER A 45 13.163 -0.667 10.565 1.00 0.00 C ATOM 668 O SER A 45 13.290 -0.894 11.769 1.00 0.00 O ATOM 669 CB SER A 45 14.676 1.052 9.557 1.00 0.00 C ATOM 670 OG SER A 45 15.876 1.281 8.839 1.00 0.00 O ATOM 0 H SER A 45 13.200 -1.147 8.096 1.00 0.00 H new ATOM 0 HA SER A 45 15.242 -0.938 10.136 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.846 1.548 9.053 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.754 1.492 10.551 1.00 0.00 H new ATOM 0 HG SER A 45 16.261 0.423 8.562 1.00 0.00 H new ATOM 676 N PHE A 46 11.981 -0.600 9.963 1.00 0.00 N ATOM 677 CA PHE A 46 10.737 -0.793 10.698 1.00 0.00 C ATOM 678 C PHE A 46 10.015 -2.051 10.225 1.00 0.00 C ATOM 679 O PHE A 46 8.829 -2.241 10.497 1.00 0.00 O ATOM 680 CB PHE A 46 9.826 0.425 10.528 1.00 0.00 C ATOM 681 CG PHE A 46 10.508 1.730 10.823 1.00 0.00 C ATOM 682 CD1 PHE A 46 10.572 2.217 12.119 1.00 0.00 C ATOM 683 CD2 PHE A 46 11.086 2.472 9.804 1.00 0.00 C ATOM 684 CE1 PHE A 46 11.199 3.417 12.394 1.00 0.00 C ATOM 685 CE2 PHE A 46 11.715 3.672 10.074 1.00 0.00 C ATOM 686 CZ PHE A 46 11.772 4.146 11.370 1.00 0.00 C ATOM 0 H PHE A 46 11.858 -0.413 8.968 1.00 0.00 H new ATOM 0 HA PHE A 46 10.982 -0.911 11.753 1.00 0.00 H new ATOM 0 HB2 PHE A 46 9.447 0.445 9.506 1.00 0.00 H new ATOM 0 HB3 PHE A 46 8.964 0.318 11.186 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.126 1.651 12.924 1.00 0.00 H new ATOM 0 HD2 PHE A 46 11.044 2.108 8.788 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.241 3.785 13.409 1.00 0.00 H new ATOM 0 HE2 PHE A 46 12.162 4.240 9.271 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.263 5.084 11.582 1.00 0.00 H new ATOM 696 N LYS A 47 10.739 -2.910 9.516 1.00 0.00 N ATOM 697 CA LYS A 47 10.171 -4.151 9.004 1.00 0.00 C ATOM 698 C LYS A 47 8.771 -3.919 8.445 1.00 0.00 C ATOM 699 O LYS A 47 7.887 -4.763 8.591 1.00 0.00 O ATOM 700 CB LYS A 47 10.121 -5.207 10.111 1.00 0.00 C ATOM 701 CG LYS A 47 11.475 -5.819 10.429 1.00 0.00 C ATOM 702 CD LYS A 47 11.848 -6.899 9.427 1.00 0.00 C ATOM 703 CE LYS A 47 13.340 -6.891 9.129 1.00 0.00 C ATOM 704 NZ LYS A 47 13.663 -6.062 7.935 1.00 0.00 N ATOM 0 H LYS A 47 11.722 -2.769 9.283 1.00 0.00 H new ATOM 0 HA LYS A 47 10.810 -4.509 8.197 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.715 -4.754 11.015 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.434 -6.000 9.815 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.237 -5.040 10.426 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.457 -6.243 11.433 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.559 -7.875 9.818 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.290 -6.748 8.503 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.881 -6.508 9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.683 -7.913 8.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.693 -6.041 7.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.208 -6.472 7.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.313 -5.093 8.080 1.00 0.00 H new ATOM 718 N ARG A 48 8.577 -2.771 7.804 1.00 0.00 N ATOM 719 CA ARG A 48 7.285 -2.429 7.223 1.00 0.00 C ATOM 720 C ARG A 48 7.387 -2.305 5.706 1.00 0.00 C ATOM 721 O ARG A 48 8.475 -2.132 5.158 1.00 0.00 O ATOM 722 CB ARG A 48 6.764 -1.120 7.819 1.00 0.00 C ATOM 723 CG ARG A 48 5.798 -1.319 8.975 1.00 0.00 C ATOM 724 CD ARG A 48 5.573 -0.025 9.742 1.00 0.00 C ATOM 725 NE ARG A 48 4.654 -0.205 10.863 1.00 0.00 N ATOM 726 CZ ARG A 48 4.453 0.712 11.802 1.00 0.00 C ATOM 727 NH1 ARG A 48 5.101 1.866 11.756 1.00 0.00 N ATOM 728 NH2 ARG A 48 3.599 0.473 12.791 1.00 0.00 N ATOM 0 H ARG A 48 9.299 -2.062 7.674 1.00 0.00 H new ATOM 0 HA ARG A 48 6.585 -3.231 7.458 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.610 -0.525 8.162 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.267 -0.547 7.036 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.845 -1.688 8.595 1.00 0.00 H new ATOM 0 HG3 ARG A 48 6.189 -2.080 9.650 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.528 0.347 10.113 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.176 0.733 9.066 1.00 0.00 H new ATOM 0 HE ARG A 48 4.139 -1.083 10.928 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.757 2.053 10.998 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.944 2.568 12.479 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.098 -0.415 12.829 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.444 1.177 13.513 1.00 0.00 H new ATOM 742 N VAL A 49 6.245 -2.395 5.031 1.00 0.00 N ATOM 743 CA VAL A 49 6.205 -2.291 3.577 1.00 0.00 C ATOM 744 C VAL A 49 5.072 -1.379 3.122 1.00 0.00 C ATOM 745 O VAL A 49 3.896 -1.724 3.243 1.00 0.00 O ATOM 746 CB VAL A 49 6.030 -3.674 2.922 1.00 0.00 C ATOM 747 CG1 VAL A 49 6.150 -3.567 1.409 1.00 0.00 C ATOM 748 CG2 VAL A 49 7.048 -4.659 3.477 1.00 0.00 C ATOM 0 H VAL A 49 5.335 -2.540 5.468 1.00 0.00 H new ATOM 0 HA VAL A 49 7.158 -1.865 3.263 1.00 0.00 H new ATOM 0 HB VAL A 49 5.033 -4.045 3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.024 -4.554 0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.379 -2.896 1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.133 -3.175 1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.910 -5.631 3.003 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.055 -4.295 3.272 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.910 -4.757 4.554 1.00 0.00 H new ATOM 758 N ARG A 50 5.434 -0.213 2.598 1.00 0.00 N ATOM 759 CA ARG A 50 4.447 0.752 2.124 1.00 0.00 C ATOM 760 C ARG A 50 4.005 0.421 0.702 1.00 0.00 C ATOM 761 O ARG A 50 4.779 0.553 -0.246 1.00 0.00 O ATOM 762 CB ARG A 50 5.022 2.168 2.175 1.00 0.00 C ATOM 763 CG ARG A 50 4.277 3.094 3.123 1.00 0.00 C ATOM 764 CD ARG A 50 4.033 4.456 2.494 1.00 0.00 C ATOM 765 NE ARG A 50 4.976 5.460 2.978 1.00 0.00 N ATOM 766 CZ ARG A 50 6.183 5.648 2.454 1.00 0.00 C ATOM 767 NH1 ARG A 50 6.590 4.904 1.436 1.00 0.00 N ATOM 768 NH2 ARG A 50 6.984 6.582 2.950 1.00 0.00 N ATOM 0 H ARG A 50 6.403 0.087 2.491 1.00 0.00 H new ATOM 0 HA ARG A 50 3.577 0.697 2.779 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.068 2.116 2.479 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.002 2.596 1.173 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.324 2.643 3.399 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.851 3.214 4.042 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.115 4.374 1.410 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.015 4.779 2.713 1.00 0.00 H new ATOM 0 HE ARG A 50 4.693 6.049 3.761 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.977 4.185 1.053 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.517 5.050 1.036 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.674 7.156 3.734 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.910 6.726 2.548 1.00 0.00 H new ATOM 782 N ILE A 51 2.755 -0.008 0.561 1.00 0.00 N ATOM 783 CA ILE A 51 2.209 -0.355 -0.745 1.00 0.00 C ATOM 784 C ILE A 51 1.174 0.668 -1.198 1.00 0.00 C ATOM 785 O ILE A 51 0.035 0.662 -0.732 1.00 0.00 O ATOM 786 CB ILE A 51 1.562 -1.752 -0.731 1.00 0.00 C ATOM 787 CG1 ILE A 51 2.577 -2.804 -0.278 1.00 0.00 C ATOM 788 CG2 ILE A 51 1.013 -2.096 -2.108 1.00 0.00 C ATOM 789 CD1 ILE A 51 2.150 -3.560 0.961 1.00 0.00 C ATOM 0 H ILE A 51 2.101 -0.124 1.336 1.00 0.00 H new ATOM 0 HA ILE A 51 3.044 -0.357 -1.446 1.00 0.00 H new ATOM 0 HB ILE A 51 0.734 -1.745 -0.023 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.739 -3.514 -1.089 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.533 -2.316 -0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.559 -3.087 -2.082 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.262 -1.360 -2.394 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.825 -2.088 -2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.916 -4.289 1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.015 -2.860 1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.210 -4.076 0.766 1.00 0.00 H new ATOM 801 N ASN A 52 1.577 1.545 -2.113 1.00 0.00 N ATOM 802 CA ASN A 52 0.684 2.574 -2.630 1.00 0.00 C ATOM 803 C ASN A 52 -0.094 2.061 -3.839 1.00 0.00 C ATOM 804 O ASN A 52 0.487 1.526 -4.783 1.00 0.00 O ATOM 805 CB ASN A 52 1.479 3.824 -3.015 1.00 0.00 C ATOM 806 CG ASN A 52 0.981 5.067 -2.305 1.00 0.00 C ATOM 807 OD1 ASN A 52 -0.042 5.641 -2.679 1.00 0.00 O ATOM 808 ND2 ASN A 52 1.704 5.490 -1.275 1.00 0.00 N ATOM 0 H ASN A 52 2.516 1.563 -2.511 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.026 2.831 -1.844 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.531 3.670 -2.777 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.415 3.974 -4.093 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.418 6.322 -0.759 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.545 4.983 -1.000 1.00 0.00 H new ATOM 815 N PHE A 53 -1.412 2.230 -3.802 1.00 0.00 N ATOM 816 CA PHE A 53 -2.270 1.785 -4.894 1.00 0.00 C ATOM 817 C PHE A 53 -2.746 2.970 -5.730 1.00 0.00 C ATOM 818 O PHE A 53 -2.478 4.124 -5.399 1.00 0.00 O ATOM 819 CB PHE A 53 -3.475 1.018 -4.344 1.00 0.00 C ATOM 820 CG PHE A 53 -3.097 -0.136 -3.460 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.543 0.085 -2.209 1.00 0.00 C ATOM 822 CD2 PHE A 53 -3.297 -1.442 -3.879 1.00 0.00 C ATOM 823 CE1 PHE A 53 -2.194 -0.976 -1.393 1.00 0.00 C ATOM 824 CE2 PHE A 53 -2.950 -2.506 -3.069 1.00 0.00 C ATOM 825 CZ PHE A 53 -2.399 -2.273 -1.824 1.00 0.00 C ATOM 0 H PHE A 53 -1.909 2.672 -3.028 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.687 1.122 -5.534 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.107 1.705 -3.781 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.071 0.647 -5.178 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.382 1.097 -1.867 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.729 -1.630 -4.851 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.762 -0.791 -0.421 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.109 -3.519 -3.409 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.129 -3.103 -1.188 1.00 0.00 H new ATOM 835 N SER A 54 -3.453 2.673 -6.816 1.00 0.00 N ATOM 836 CA SER A 54 -3.962 3.712 -7.703 1.00 0.00 C ATOM 837 C SER A 54 -5.396 4.086 -7.334 1.00 0.00 C ATOM 838 O SER A 54 -5.932 5.082 -7.817 1.00 0.00 O ATOM 839 CB SER A 54 -3.905 3.244 -9.158 1.00 0.00 C ATOM 840 OG SER A 54 -5.064 2.507 -9.504 1.00 0.00 O ATOM 0 H SER A 54 -3.686 1.722 -7.102 1.00 0.00 H new ATOM 0 HA SER A 54 -3.332 4.594 -7.588 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.809 4.107 -9.817 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.019 2.627 -9.310 1.00 0.00 H new ATOM 0 HG SER A 54 -4.992 1.597 -9.146 1.00 0.00 H new ATOM 846 N ASN A 55 -6.009 3.279 -6.475 1.00 0.00 N ATOM 847 CA ASN A 55 -7.380 3.524 -6.041 1.00 0.00 C ATOM 848 C ASN A 55 -7.623 2.938 -4.653 1.00 0.00 C ATOM 849 O ASN A 55 -6.987 1.969 -4.241 1.00 0.00 O ATOM 850 CB ASN A 55 -8.368 2.921 -7.041 1.00 0.00 C ATOM 851 CG ASN A 55 -8.096 1.453 -7.310 1.00 0.00 C ATOM 852 OD1 ASN A 55 -8.084 0.635 -6.392 1.00 0.00 O ATOM 853 ND2 ASN A 55 -7.879 1.115 -8.576 1.00 0.00 N ATOM 0 H ASN A 55 -5.579 2.450 -6.065 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.533 4.602 -5.993 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.382 3.036 -6.659 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.316 3.475 -7.978 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.693 0.142 -8.819 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.899 1.828 -9.305 1.00 0.00 H new ATOM 860 N PRO A 56 -8.567 3.541 -3.915 1.00 0.00 N ATOM 861 CA PRO A 56 -8.918 3.097 -2.562 1.00 0.00 C ATOM 862 C PRO A 56 -9.638 1.753 -2.563 1.00 0.00 C ATOM 863 O PRO A 56 -9.685 1.062 -1.544 1.00 0.00 O ATOM 864 CB PRO A 56 -9.848 4.202 -2.056 1.00 0.00 C ATOM 865 CG PRO A 56 -10.434 4.799 -3.289 1.00 0.00 C ATOM 866 CD PRO A 56 -9.364 4.702 -4.343 1.00 0.00 C ATOM 0 HA PRO A 56 -8.036 2.947 -1.940 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.623 3.799 -1.404 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.300 4.946 -1.478 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.332 4.262 -3.594 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.724 5.836 -3.121 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.790 4.553 -5.335 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.761 5.609 -4.388 1.00 0.00 H new ATOM 874 N LEU A 57 -10.196 1.386 -3.711 1.00 0.00 N ATOM 875 CA LEU A 57 -10.915 0.123 -3.843 1.00 0.00 C ATOM 876 C LEU A 57 -9.999 -1.057 -3.539 1.00 0.00 C ATOM 877 O LEU A 57 -10.143 -1.720 -2.511 1.00 0.00 O ATOM 878 CB LEU A 57 -11.490 -0.012 -5.254 1.00 0.00 C ATOM 879 CG LEU A 57 -12.569 1.000 -5.639 1.00 0.00 C ATOM 880 CD1 LEU A 57 -12.510 1.302 -7.129 1.00 0.00 C ATOM 881 CD2 LEU A 57 -13.948 0.484 -5.253 1.00 0.00 C ATOM 0 H LEU A 57 -10.165 1.945 -4.564 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.733 0.119 -3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.671 0.071 -5.968 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.905 -1.014 -5.361 1.00 0.00 H new ATOM 0 HG LEU A 57 -12.383 1.925 -5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.285 2.024 -7.385 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.533 1.715 -7.378 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.670 0.383 -7.693 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.703 1.218 -5.535 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -14.143 -0.455 -5.771 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -13.986 0.319 -4.176 1.00 0.00 H new ATOM 893 N SER A 58 -9.055 -1.315 -4.439 1.00 0.00 N ATOM 894 CA SER A 58 -8.116 -2.418 -4.268 1.00 0.00 C ATOM 895 C SER A 58 -7.511 -2.404 -2.867 1.00 0.00 C ATOM 896 O SER A 58 -7.388 -3.445 -2.222 1.00 0.00 O ATOM 897 CB SER A 58 -7.005 -2.337 -5.316 1.00 0.00 C ATOM 898 OG SER A 58 -6.953 -3.519 -6.096 1.00 0.00 O ATOM 0 H SER A 58 -8.920 -0.775 -5.294 1.00 0.00 H new ATOM 0 HA SER A 58 -8.663 -3.352 -4.400 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.174 -1.477 -5.964 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.046 -2.181 -4.822 1.00 0.00 H new ATOM 0 HG SER A 58 -6.236 -3.442 -6.760 1.00 0.00 H new ATOM 904 N ALA A 59 -7.135 -1.216 -2.404 1.00 0.00 N ATOM 905 CA ALA A 59 -6.544 -1.065 -1.080 1.00 0.00 C ATOM 906 C ALA A 59 -7.240 -1.963 -0.063 1.00 0.00 C ATOM 907 O ALA A 59 -6.595 -2.542 0.811 1.00 0.00 O ATOM 908 CB ALA A 59 -6.611 0.388 -0.635 1.00 0.00 C ATOM 0 H ALA A 59 -7.229 -0.345 -2.926 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.499 -1.368 -1.139 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.166 0.486 0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.063 1.011 -1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.652 0.710 -0.599 1.00 0.00 H new ATOM 914 N ALA A 60 -8.559 -2.074 -0.182 1.00 0.00 N ATOM 915 CA ALA A 60 -9.341 -2.904 0.726 1.00 0.00 C ATOM 916 C ALA A 60 -9.168 -4.384 0.406 1.00 0.00 C ATOM 917 O ALA A 60 -8.650 -5.148 1.220 1.00 0.00 O ATOM 918 CB ALA A 60 -10.812 -2.516 0.660 1.00 0.00 C ATOM 0 H ALA A 60 -9.108 -1.599 -0.898 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.976 -2.734 1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.385 -3.143 1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.926 -1.470 0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.180 -2.656 -0.356 1.00 0.00 H new ATOM 924 N ASP A 61 -9.604 -4.782 -0.784 1.00 0.00 N ATOM 925 CA ASP A 61 -9.496 -6.172 -1.212 1.00 0.00 C ATOM 926 C ASP A 61 -8.155 -6.767 -0.792 1.00 0.00 C ATOM 927 O ASP A 61 -8.093 -7.891 -0.293 1.00 0.00 O ATOM 928 CB ASP A 61 -9.661 -6.276 -2.729 1.00 0.00 C ATOM 929 CG ASP A 61 -10.905 -7.045 -3.126 1.00 0.00 C ATOM 930 OD1 ASP A 61 -10.962 -8.262 -2.848 1.00 0.00 O ATOM 931 OD2 ASP A 61 -11.820 -6.433 -3.714 1.00 0.00 O ATOM 0 H ASP A 61 -10.035 -4.162 -1.469 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.292 -6.738 -0.728 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.705 -5.274 -3.156 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.784 -6.765 -3.154 1.00 0.00 H new ATOM 936 N ALA A 62 -7.085 -6.007 -0.998 1.00 0.00 N ATOM 937 CA ALA A 62 -5.746 -6.458 -0.640 1.00 0.00 C ATOM 938 C ALA A 62 -5.682 -6.876 0.825 1.00 0.00 C ATOM 939 O ALA A 62 -5.233 -7.976 1.147 1.00 0.00 O ATOM 940 CB ALA A 62 -4.727 -5.367 -0.925 1.00 0.00 C ATOM 0 H ALA A 62 -7.119 -5.075 -1.411 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.507 -7.329 -1.250 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.732 -5.718 -0.653 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.746 -5.119 -1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.971 -4.480 -0.341 1.00 0.00 H new ATOM 946 N ARG A 63 -6.131 -5.991 1.708 1.00 0.00 N ATOM 947 CA ARG A 63 -6.122 -6.267 3.139 1.00 0.00 C ATOM 948 C ARG A 63 -6.814 -7.594 3.442 1.00 0.00 C ATOM 949 O ARG A 63 -6.230 -8.483 4.062 1.00 0.00 O ATOM 950 CB ARG A 63 -6.810 -5.135 3.904 1.00 0.00 C ATOM 951 CG ARG A 63 -6.683 -5.253 5.414 1.00 0.00 C ATOM 952 CD ARG A 63 -7.259 -4.035 6.119 1.00 0.00 C ATOM 953 NE ARG A 63 -8.355 -4.390 7.017 1.00 0.00 N ATOM 954 CZ ARG A 63 -8.177 -4.814 8.262 1.00 0.00 C ATOM 955 NH1 ARG A 63 -6.952 -4.936 8.756 1.00 0.00 N ATOM 956 NH2 ARG A 63 -9.224 -5.118 9.017 1.00 0.00 N ATOM 0 H ARG A 63 -6.506 -5.076 1.457 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.083 -6.336 3.463 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.385 -4.183 3.586 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.867 -5.118 3.637 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.200 -6.150 5.755 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.633 -5.368 5.684 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.472 -3.539 6.686 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.615 -3.321 5.376 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.310 -4.307 6.668 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.144 -4.704 8.179 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.818 -5.262 9.713 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.168 -5.026 8.641 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.086 -5.444 9.974 1.00 0.00 H new ATOM 970 N LEU A 64 -8.061 -7.719 3.000 1.00 0.00 N ATOM 971 CA LEU A 64 -8.833 -8.935 3.223 1.00 0.00 C ATOM 972 C LEU A 64 -8.114 -10.150 2.645 1.00 0.00 C ATOM 973 O LEU A 64 -8.168 -11.243 3.210 1.00 0.00 O ATOM 974 CB LEU A 64 -10.222 -8.805 2.594 1.00 0.00 C ATOM 975 CG LEU A 64 -10.463 -9.622 1.325 1.00 0.00 C ATOM 976 CD1 LEU A 64 -10.617 -11.097 1.661 1.00 0.00 C ATOM 977 CD2 LEU A 64 -11.692 -9.110 0.588 1.00 0.00 C ATOM 0 H LEU A 64 -8.558 -6.992 2.485 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.939 -9.075 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.964 -9.098 3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.398 -7.754 2.364 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.598 -9.508 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.788 -11.663 0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.709 -11.456 2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.464 -11.230 2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.849 -9.703 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.565 -9.194 1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.543 -8.066 0.314 1.00 0.00 H new ATOM 989 N ARG A 65 -7.437 -9.951 1.518 1.00 0.00 N ATOM 990 CA ARG A 65 -6.707 -11.030 0.865 1.00 0.00 C ATOM 991 C ARG A 65 -5.350 -11.246 1.527 1.00 0.00 C ATOM 992 O ARG A 65 -4.592 -12.137 1.140 1.00 0.00 O ATOM 993 CB ARG A 65 -6.517 -10.720 -0.621 1.00 0.00 C ATOM 994 CG ARG A 65 -7.695 -11.137 -1.486 1.00 0.00 C ATOM 995 CD ARG A 65 -7.244 -11.955 -2.685 1.00 0.00 C ATOM 996 NE ARG A 65 -7.987 -11.608 -3.894 1.00 0.00 N ATOM 997 CZ ARG A 65 -7.767 -12.170 -5.078 1.00 0.00 C ATOM 998 NH1 ARG A 65 -6.832 -13.101 -5.211 1.00 0.00 N ATOM 999 NH2 ARG A 65 -8.485 -11.802 -6.132 1.00 0.00 N ATOM 0 H ARG A 65 -7.379 -9.052 1.039 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.292 -11.944 0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.350 -9.650 -0.742 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.619 -11.225 -0.977 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.397 -11.720 -0.890 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.228 -10.250 -1.829 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.179 -11.793 -2.855 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -7.375 -13.016 -2.471 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.714 -10.896 -3.826 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.279 -13.388 -4.403 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.666 -13.530 -6.121 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.206 -11.087 -6.034 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.316 -12.234 -7.040 1.00 0.00 H new ATOM 1013 N LEU A 66 -5.049 -10.426 2.529 1.00 0.00 N ATOM 1014 CA LEU A 66 -3.782 -10.526 3.246 1.00 0.00 C ATOM 1015 C LEU A 66 -3.983 -10.296 4.741 1.00 0.00 C ATOM 1016 O LEU A 66 -5.028 -10.636 5.297 1.00 0.00 O ATOM 1017 CB LEU A 66 -2.779 -9.513 2.693 1.00 0.00 C ATOM 1018 CG LEU A 66 -2.699 -9.410 1.169 1.00 0.00 C ATOM 1019 CD1 LEU A 66 -2.135 -8.060 0.754 1.00 0.00 C ATOM 1020 CD2 LEU A 66 -1.853 -10.541 0.602 1.00 0.00 C ATOM 0 H LEU A 66 -5.665 -9.685 2.863 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.389 -11.532 3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.030 -8.530 3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.789 -9.768 3.072 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.707 -9.499 0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.086 -8.005 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.780 -7.265 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.134 -7.941 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.807 -10.452 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.845 -10.483 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.300 -11.499 0.869 1.00 0.00 H new ATOM 1032 N HIS A 67 -2.976 -9.716 5.385 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.043 -9.438 6.816 1.00 0.00 C ATOM 1034 C HIS A 67 -2.649 -10.668 7.627 1.00 0.00 C ATOM 1035 O HIS A 67 -1.770 -11.433 7.228 1.00 0.00 O ATOM 1036 CB HIS A 67 -4.451 -8.986 7.203 1.00 0.00 C ATOM 1037 CG HIS A 67 -4.480 -8.058 8.378 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -3.340 -7.587 8.994 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -5.521 -7.512 9.050 1.00 0.00 C ATOM 1040 CE1 HIS A 67 -3.678 -6.793 9.993 1.00 0.00 C ATOM 1041 NE2 HIS A 67 -4.996 -6.730 10.049 1.00 0.00 N ATOM 0 H HIS A 67 -2.104 -9.429 4.940 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.338 -8.637 7.039 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.913 -8.491 6.348 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.056 -9.864 7.429 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -6.569 -7.663 8.839 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.993 -6.282 10.653 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.536 -6.189 10.724 1.00 0.00 H new ATOM 1049 N LYS A 68 -3.303 -10.851 8.770 1.00 0.00 N ATOM 1050 CA LYS A 68 -3.022 -11.988 9.638 1.00 0.00 C ATOM 1051 C LYS A 68 -2.690 -13.231 8.818 1.00 0.00 C ATOM 1052 O LYS A 68 -1.930 -14.095 9.258 1.00 0.00 O ATOM 1053 CB LYS A 68 -4.220 -12.269 10.548 1.00 0.00 C ATOM 1054 CG LYS A 68 -4.584 -11.104 11.452 1.00 0.00 C ATOM 1055 CD LYS A 68 -5.955 -10.543 11.114 1.00 0.00 C ATOM 1056 CE LYS A 68 -7.056 -11.273 11.867 1.00 0.00 C ATOM 1057 NZ LYS A 68 -7.375 -10.611 13.162 1.00 0.00 N ATOM 0 H LYS A 68 -4.031 -10.226 9.116 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.157 -11.739 10.252 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.082 -12.523 9.931 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.001 -13.141 11.164 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.570 -11.431 12.492 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.834 -10.319 11.355 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.986 -9.482 11.360 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.129 -10.626 10.041 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.953 -11.314 11.249 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.749 -12.302 12.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.130 -11.139 13.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.526 -10.595 13.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.692 -9.637 12.985 1.00 0.00 H new ATOM 1071 N THR A 69 -3.264 -13.316 7.621 1.00 0.00 N ATOM 1072 CA THR A 69 -3.030 -14.452 6.740 1.00 0.00 C ATOM 1073 C THR A 69 -1.619 -15.001 6.914 1.00 0.00 C ATOM 1074 O THR A 69 -0.639 -14.270 6.781 1.00 0.00 O ATOM 1075 CB THR A 69 -3.241 -14.071 5.263 1.00 0.00 C ATOM 1076 OG1 THR A 69 -2.519 -12.874 4.958 1.00 0.00 O ATOM 1077 CG2 THR A 69 -4.719 -13.867 4.963 1.00 0.00 C ATOM 0 H THR A 69 -3.895 -12.610 7.240 1.00 0.00 H new ATOM 0 HA THR A 69 -3.753 -15.220 7.016 1.00 0.00 H new ATOM 0 HB THR A 69 -2.869 -14.887 4.644 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.285 -12.412 5.790 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.844 -13.599 3.914 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.263 -14.789 5.169 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.111 -13.067 5.591 1.00 0.00 H new ATOM 1085 N GLU A 70 -1.524 -16.294 7.212 1.00 0.00 N ATOM 1086 CA GLU A 70 -0.230 -16.939 7.404 1.00 0.00 C ATOM 1087 C GLU A 70 0.600 -16.886 6.125 1.00 0.00 C ATOM 1088 O GLU A 70 0.504 -17.769 5.272 1.00 0.00 O ATOM 1089 CB GLU A 70 -0.421 -18.393 7.841 1.00 0.00 C ATOM 1090 CG GLU A 70 -0.231 -18.611 9.332 1.00 0.00 C ATOM 1091 CD GLU A 70 -0.603 -20.015 9.768 1.00 0.00 C ATOM 1092 OE1 GLU A 70 0.190 -20.945 9.516 1.00 0.00 O ATOM 1093 OE2 GLU A 70 -1.689 -20.182 10.364 1.00 0.00 O ATOM 0 H GLU A 70 -2.326 -16.914 7.325 1.00 0.00 H new ATOM 0 HA GLU A 70 0.304 -16.399 8.185 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.422 -18.719 7.559 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.284 -19.022 7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.809 -18.417 9.594 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.838 -17.891 9.881 1.00 0.00 H new ATOM 1100 N PHE A 71 1.414 -15.843 5.999 1.00 0.00 N ATOM 1101 CA PHE A 71 2.260 -15.672 4.824 1.00 0.00 C ATOM 1102 C PHE A 71 3.459 -16.616 4.874 1.00 0.00 C ATOM 1103 O PHE A 71 4.429 -16.367 5.591 1.00 0.00 O ATOM 1104 CB PHE A 71 2.742 -14.223 4.721 1.00 0.00 C ATOM 1105 CG PHE A 71 3.793 -14.014 3.670 1.00 0.00 C ATOM 1106 CD1 PHE A 71 3.441 -13.878 2.337 1.00 0.00 C ATOM 1107 CD2 PHE A 71 5.134 -13.952 4.015 1.00 0.00 C ATOM 1108 CE1 PHE A 71 4.407 -13.685 1.367 1.00 0.00 C ATOM 1109 CE2 PHE A 71 6.104 -13.758 3.050 1.00 0.00 C ATOM 1110 CZ PHE A 71 5.740 -13.624 1.723 1.00 0.00 C ATOM 0 H PHE A 71 1.505 -15.104 6.696 1.00 0.00 H new ATOM 0 HA PHE A 71 1.666 -15.913 3.943 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.889 -13.580 4.504 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.139 -13.911 5.687 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.400 -13.923 2.052 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.424 -14.057 5.050 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.119 -13.582 0.331 1.00 0.00 H new ATOM 0 HE2 PHE A 71 7.145 -13.711 3.332 1.00 0.00 H new ATOM 0 HZ PHE A 71 6.496 -13.472 0.967 1.00 0.00 H new ATOM 1120 N LEU A 72 3.384 -17.700 4.110 1.00 0.00 N ATOM 1121 CA LEU A 72 4.462 -18.681 4.067 1.00 0.00 C ATOM 1122 C LEU A 72 4.695 -19.294 5.444 1.00 0.00 C ATOM 1123 O LEU A 72 5.774 -19.812 5.731 1.00 0.00 O ATOM 1124 CB LEU A 72 5.751 -18.032 3.560 1.00 0.00 C ATOM 1125 CG LEU A 72 5.901 -17.936 2.041 1.00 0.00 C ATOM 1126 CD1 LEU A 72 5.282 -16.648 1.524 1.00 0.00 C ATOM 1127 CD2 LEU A 72 7.368 -18.023 1.646 1.00 0.00 C ATOM 0 H LEU A 72 2.588 -17.922 3.512 1.00 0.00 H new ATOM 0 HA LEU A 72 4.169 -19.475 3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.816 -17.027 3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.597 -18.595 3.954 1.00 0.00 H new ATOM 0 HG LEU A 72 5.372 -18.775 1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.398 -16.597 0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.222 -16.627 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.781 -15.795 1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.458 -17.953 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.919 -17.204 2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.780 -18.974 1.984 1.00 0.00 H new ATOM 1139 N GLY A 73 3.675 -19.232 6.295 1.00 0.00 N ATOM 1140 CA GLY A 73 3.788 -19.786 7.631 1.00 0.00 C ATOM 1141 C GLY A 73 3.900 -18.713 8.697 1.00 0.00 C ATOM 1142 O GLY A 73 3.615 -18.958 9.869 1.00 0.00 O ATOM 0 H GLY A 73 2.772 -18.808 6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.918 -20.409 7.837 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.663 -20.434 7.679 1.00 0.00 H new ATOM 1146 N LYS A 74 4.318 -17.519 8.290 1.00 0.00 N ATOM 1147 CA LYS A 74 4.468 -16.403 9.216 1.00 0.00 C ATOM 1148 C LYS A 74 3.312 -15.417 9.072 1.00 0.00 C ATOM 1149 O LYS A 74 3.070 -14.887 7.989 1.00 0.00 O ATOM 1150 CB LYS A 74 5.797 -15.686 8.973 1.00 0.00 C ATOM 1151 CG LYS A 74 7.008 -16.597 9.078 1.00 0.00 C ATOM 1152 CD LYS A 74 7.403 -16.834 10.526 1.00 0.00 C ATOM 1153 CE LYS A 74 8.348 -18.019 10.659 1.00 0.00 C ATOM 1154 NZ LYS A 74 9.683 -17.608 11.173 1.00 0.00 N ATOM 0 H LYS A 74 4.559 -17.299 7.324 1.00 0.00 H new ATOM 0 HA LYS A 74 4.458 -16.802 10.230 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.779 -15.232 7.982 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.900 -14.875 9.694 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.789 -17.551 8.599 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.846 -16.154 8.539 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.881 -15.939 10.925 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.509 -17.011 11.124 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.912 -18.758 11.331 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.465 -18.501 9.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.298 -18.443 11.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.111 -16.922 10.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.575 -17.171 12.111 1.00 0.00 H new ATOM 1168 N GLU A 75 2.605 -15.177 10.172 1.00 0.00 N ATOM 1169 CA GLU A 75 1.476 -14.254 10.166 1.00 0.00 C ATOM 1170 C GLU A 75 1.941 -12.826 9.893 1.00 0.00 C ATOM 1171 O GLU A 75 2.776 -12.285 10.619 1.00 0.00 O ATOM 1172 CB GLU A 75 0.733 -14.313 11.503 1.00 0.00 C ATOM 1173 CG GLU A 75 0.029 -13.016 11.866 1.00 0.00 C ATOM 1174 CD GLU A 75 -0.617 -13.068 13.236 1.00 0.00 C ATOM 1175 OE1 GLU A 75 0.071 -12.751 14.230 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -1.810 -13.426 13.316 1.00 0.00 O ATOM 0 H GLU A 75 2.794 -15.608 11.077 1.00 0.00 H new ATOM 0 HA GLU A 75 0.798 -14.556 9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.002 -15.117 11.466 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.442 -14.565 12.292 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.747 -12.197 11.838 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.733 -12.798 11.117 1.00 0.00 H new ATOM 1183 N MET A 76 1.396 -12.223 8.842 1.00 0.00 N ATOM 1184 CA MET A 76 1.755 -10.858 8.474 1.00 0.00 C ATOM 1185 C MET A 76 0.682 -9.873 8.926 1.00 0.00 C ATOM 1186 O MET A 76 -0.483 -10.237 9.085 1.00 0.00 O ATOM 1187 CB MET A 76 1.956 -10.752 6.961 1.00 0.00 C ATOM 1188 CG MET A 76 1.650 -9.371 6.403 1.00 0.00 C ATOM 1189 SD MET A 76 2.202 -9.174 4.698 1.00 0.00 S ATOM 1190 CE MET A 76 0.940 -10.098 3.825 1.00 0.00 C ATOM 0 H MET A 76 0.705 -12.657 8.230 1.00 0.00 H new ATOM 0 HA MET A 76 2.689 -10.606 8.976 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.987 -11.012 6.720 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.319 -11.485 6.466 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.576 -9.191 6.456 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.131 -8.617 7.026 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.321 -11.088 3.576 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.058 -10.197 4.458 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.672 -9.572 2.909 1.00 0.00 H new ATOM 1200 N LYS A 77 1.082 -8.623 9.133 1.00 0.00 N ATOM 1201 CA LYS A 77 0.156 -7.584 9.567 1.00 0.00 C ATOM 1202 C LYS A 77 0.010 -6.504 8.500 1.00 0.00 C ATOM 1203 O LYS A 77 0.852 -6.381 7.609 1.00 0.00 O ATOM 1204 CB LYS A 77 0.637 -6.959 10.878 1.00 0.00 C ATOM 1205 CG LYS A 77 -0.088 -7.485 12.105 1.00 0.00 C ATOM 1206 CD LYS A 77 -0.282 -6.397 13.147 1.00 0.00 C ATOM 1207 CE LYS A 77 0.938 -6.258 14.043 1.00 0.00 C ATOM 1208 NZ LYS A 77 2.069 -5.590 13.341 1.00 0.00 N ATOM 0 H LYS A 77 2.043 -8.305 9.007 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.819 -8.045 9.727 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.705 -7.146 10.989 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.507 -5.878 10.825 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.058 -7.886 11.811 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.479 -8.308 12.539 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.480 -5.447 12.650 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.157 -6.626 13.755 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.673 -5.685 14.931 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.253 -7.245 14.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.693 -5.138 14.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.608 -6.297 12.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.697 -4.868 12.691 1.00 0.00 H new ATOM 1222 N LEU A 78 -1.060 -5.724 8.596 1.00 0.00 N ATOM 1223 CA LEU A 78 -1.315 -4.653 7.638 1.00 0.00 C ATOM 1224 C LEU A 78 -2.128 -3.533 8.279 1.00 0.00 C ATOM 1225 O LEU A 78 -3.086 -3.786 9.011 1.00 0.00 O ATOM 1226 CB LEU A 78 -2.054 -5.200 6.416 1.00 0.00 C ATOM 1227 CG LEU A 78 -1.178 -5.798 5.314 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -1.707 -7.160 4.892 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -1.108 -4.858 4.120 1.00 0.00 C ATOM 0 H LEU A 78 -1.766 -5.812 9.327 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.355 -4.245 7.321 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.754 -5.965 6.752 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.647 -4.394 5.984 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.170 -5.929 5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.071 -7.570 4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.705 -7.833 5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.725 -7.055 4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.481 -5.299 3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.111 -4.696 3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.682 -3.904 4.432 1.00 0.00 H new ATOM 1241 N TYR A 79 -1.741 -2.294 7.998 1.00 0.00 N ATOM 1242 CA TYR A 79 -2.433 -1.133 8.547 1.00 0.00 C ATOM 1243 C TYR A 79 -2.857 -0.177 7.436 1.00 0.00 C ATOM 1244 O TYR A 79 -2.187 -0.061 6.411 1.00 0.00 O ATOM 1245 CB TYR A 79 -1.536 -0.405 9.548 1.00 0.00 C ATOM 1246 CG TYR A 79 -1.456 -1.086 10.897 1.00 0.00 C ATOM 1247 CD1 TYR A 79 -0.533 -2.098 11.132 1.00 0.00 C ATOM 1248 CD2 TYR A 79 -2.304 -0.718 11.934 1.00 0.00 C ATOM 1249 CE1 TYR A 79 -0.457 -2.723 12.361 1.00 0.00 C ATOM 1250 CE2 TYR A 79 -2.234 -1.337 13.167 1.00 0.00 C ATOM 1251 CZ TYR A 79 -1.309 -2.340 13.375 1.00 0.00 C ATOM 1252 OH TYR A 79 -1.236 -2.959 14.602 1.00 0.00 O ATOM 0 H TYR A 79 -0.952 -2.067 7.393 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.328 -1.484 9.061 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.532 -0.324 9.131 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -1.908 0.611 9.685 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.136 -2.401 10.340 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -3.030 0.065 11.774 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.266 -3.508 12.527 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.899 -1.038 13.964 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.904 -2.571 15.205 1.00 0.00 H new ATOM 1262 N PHE A 80 -3.974 0.509 7.651 1.00 0.00 N ATOM 1263 CA PHE A 80 -4.490 1.457 6.670 1.00 0.00 C ATOM 1264 C PHE A 80 -3.663 2.739 6.664 1.00 0.00 C ATOM 1265 O PHE A 80 -3.760 3.556 7.580 1.00 0.00 O ATOM 1266 CB PHE A 80 -5.956 1.783 6.964 1.00 0.00 C ATOM 1267 CG PHE A 80 -6.908 1.249 5.932 1.00 0.00 C ATOM 1268 CD1 PHE A 80 -6.629 1.379 4.581 1.00 0.00 C ATOM 1269 CD2 PHE A 80 -8.081 0.619 6.313 1.00 0.00 C ATOM 1270 CE1 PHE A 80 -7.504 0.891 3.629 1.00 0.00 C ATOM 1271 CE2 PHE A 80 -8.960 0.128 5.366 1.00 0.00 C ATOM 1272 CZ PHE A 80 -8.670 0.263 4.022 1.00 0.00 C ATOM 0 H PHE A 80 -4.540 0.426 8.496 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.419 0.995 5.685 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.222 1.374 7.939 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -6.073 2.865 7.030 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.718 1.867 4.268 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -8.312 0.510 7.362 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.276 1.001 2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.872 -0.360 5.676 1.00 0.00 H new ATOM 0 HZ PHE A 80 -9.354 -0.122 3.280 1.00 0.00 H new