USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 824 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 66 ASN : amide:sc= -0.941 X(o=-0.62,f=-0.28) USER MOD Set 1.2: A 85 SER OG : rot 43:sc= 0.318 USER MOD Set 2.1: A 22 GLN : amide:sc= -0.0138 X(o=-0.014,f=0) USER MOD Set 2.2: A 25 GLN : amide:sc= 0 K(o=-0.014,f=-2) USER MOD Single : A 11 THR OG1 : rot 39:sc= 0.892 USER MOD Single : A 13 ASN : amide:sc=-0.00488 X(o=-0.0049,f=0) USER MOD Single : A 17 CYS SG : rot -7:sc= -0.151 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -173:sc= 1.23 (180deg=1.04) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 22:sc= 0.654 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.723 USER MOD Single : A 40 HIS : no HD1:sc= -1.86 K(o=-1.9,f=-1.3) USER MOD Single : A 49 SER OG : rot -92:sc= 1.29 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -110:sc= -0.695 (180deg=-2.66!) USER MOD Single : A 75 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.28) USER MOD Single : A 77 GLN : amide:sc=-0.00584 X(o=-0.0058,f=-0.0058) USER MOD Single : A 84 LYS NZ :NH3+ -124:sc= -0.351 (180deg=-1.75!) USER MOD Single : A 87 ASN : amide:sc= 0.106 K(o=0.11,f=-1.5!) USER MOD Single : A 88 SER OG : rot 41:sc= 0.274 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 104 N THR A 11 -10.936 -11.611 7.832 1.00 0.00 N ATOM 105 CA THR A 11 -10.491 -10.377 7.196 1.00 0.00 C ATOM 106 C THR A 11 -9.773 -9.474 8.192 1.00 0.00 C ATOM 107 O THR A 11 -10.407 -8.821 9.022 1.00 0.00 O ATOM 108 CB THR A 11 -11.672 -9.606 6.578 1.00 0.00 C ATOM 109 OG1 THR A 11 -12.632 -9.286 7.592 1.00 0.00 O ATOM 110 CG2 THR A 11 -12.338 -10.423 5.481 1.00 0.00 C ATOM 0 HA THR A 11 -9.799 -10.661 6.403 1.00 0.00 H new ATOM 0 HB THR A 11 -11.287 -8.686 6.139 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.166 -9.039 8.418 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.169 -9.857 5.060 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.612 -10.640 4.697 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.710 -11.358 5.899 1.00 0.00 H new ATOM 118 N PHE A 12 -8.448 -9.440 8.104 1.00 0.00 N ATOM 119 CA PHE A 12 -7.644 -8.615 8.999 1.00 0.00 C ATOM 120 C PHE A 12 -8.110 -7.163 8.966 1.00 0.00 C ATOM 121 O PHE A 12 -8.928 -6.781 8.131 1.00 0.00 O ATOM 122 CB PHE A 12 -6.166 -8.697 8.611 1.00 0.00 C ATOM 123 CG PHE A 12 -5.511 -9.988 9.012 1.00 0.00 C ATOM 124 CD1 PHE A 12 -5.739 -11.149 8.290 1.00 0.00 C ATOM 125 CD2 PHE A 12 -4.668 -10.042 10.110 1.00 0.00 C ATOM 126 CE1 PHE A 12 -5.139 -12.338 8.657 1.00 0.00 C ATOM 127 CE2 PHE A 12 -4.065 -11.228 10.482 1.00 0.00 C ATOM 128 CZ PHE A 12 -4.300 -12.378 9.753 1.00 0.00 C ATOM 0 H PHE A 12 -7.908 -9.974 7.423 1.00 0.00 H new ATOM 0 HA PHE A 12 -7.769 -8.995 10.013 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.075 -8.572 7.532 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.631 -7.868 9.074 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.393 -11.124 7.431 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.480 -9.146 10.682 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.326 -13.236 8.087 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.411 -11.256 11.341 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.828 -13.306 10.040 1.00 0.00 H new ATOM 138 N ASN A 13 -7.582 -6.357 9.882 1.00 0.00 N ATOM 139 CA ASN A 13 -7.945 -4.947 9.960 1.00 0.00 C ATOM 140 C ASN A 13 -6.802 -4.063 9.470 1.00 0.00 C ATOM 141 O ASN A 13 -5.961 -3.606 10.245 1.00 0.00 O ATOM 142 CB ASN A 13 -8.314 -4.572 11.397 1.00 0.00 C ATOM 143 CG ASN A 13 -9.334 -5.520 11.998 1.00 0.00 C ATOM 144 OD1 ASN A 13 -9.114 -6.089 13.067 1.00 0.00 O ATOM 145 ND2 ASN A 13 -10.457 -5.694 11.310 1.00 0.00 N ATOM 0 H ASN A 13 -6.902 -6.657 10.580 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.809 -4.784 9.316 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.414 -4.573 12.012 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.711 -3.557 11.414 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.180 -6.320 11.664 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.596 -5.201 10.428 1.00 0.00 H new ATOM 152 N PRO A 14 -6.768 -3.817 8.152 1.00 0.00 N ATOM 153 CA PRO A 14 -5.733 -2.986 7.528 1.00 0.00 C ATOM 154 C PRO A 14 -5.871 -1.513 7.900 1.00 0.00 C ATOM 155 O PRO A 14 -6.955 -1.052 8.256 1.00 0.00 O ATOM 156 CB PRO A 14 -5.975 -3.184 6.030 1.00 0.00 C ATOM 157 CG PRO A 14 -7.415 -3.551 5.923 1.00 0.00 C ATOM 158 CD PRO A 14 -7.737 -4.329 7.169 1.00 0.00 C ATOM 0 HA PRO A 14 -4.732 -3.269 7.853 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.756 -2.275 5.470 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.336 -3.969 5.626 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.040 -2.661 5.846 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.600 -4.149 5.031 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.764 -4.162 7.493 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.623 -5.402 7.013 1.00 0.00 H new ATOM 166 N ARG A 15 -4.765 -0.781 7.815 1.00 0.00 N ATOM 167 CA ARG A 15 -4.763 0.640 8.143 1.00 0.00 C ATOM 168 C ARG A 15 -4.871 1.490 6.880 1.00 0.00 C ATOM 169 O ARG A 15 -4.436 1.078 5.805 1.00 0.00 O ATOM 170 CB ARG A 15 -3.491 1.006 8.910 1.00 0.00 C ATOM 171 CG ARG A 15 -3.576 0.721 10.400 1.00 0.00 C ATOM 172 CD ARG A 15 -2.204 0.764 11.054 1.00 0.00 C ATOM 173 NE ARG A 15 -1.867 2.101 11.533 1.00 0.00 N ATOM 174 CZ ARG A 15 -2.334 2.616 12.666 1.00 0.00 C ATOM 175 NH1 ARG A 15 -3.152 1.908 13.431 1.00 0.00 N ATOM 176 NH2 ARG A 15 -1.981 3.841 13.034 1.00 0.00 N ATOM 0 H ARG A 15 -3.859 -1.148 7.522 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.630 0.843 8.772 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.651 0.452 8.490 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.280 2.065 8.763 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.230 1.453 10.875 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.026 -0.259 10.559 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.178 0.063 11.888 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.451 0.435 10.338 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.239 2.671 10.967 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.425 0.966 13.151 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.509 2.305 14.300 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.351 4.388 12.447 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.340 4.236 13.903 1.00 0.00 H new ATOM 190 N GLU A 16 -5.453 2.677 7.019 1.00 0.00 N ATOM 191 CA GLU A 16 -5.619 3.583 5.889 1.00 0.00 C ATOM 192 C GLU A 16 -4.651 4.759 5.988 1.00 0.00 C ATOM 193 O GLU A 16 -4.192 5.108 7.076 1.00 0.00 O ATOM 194 CB GLU A 16 -7.059 4.096 5.825 1.00 0.00 C ATOM 195 CG GLU A 16 -7.453 4.634 4.459 1.00 0.00 C ATOM 196 CD GLU A 16 -8.938 4.920 4.352 1.00 0.00 C ATOM 197 OE1 GLU A 16 -9.729 4.208 5.005 1.00 0.00 O ATOM 198 OE2 GLU A 16 -9.309 5.857 3.614 1.00 0.00 O ATOM 0 H GLU A 16 -5.817 3.033 7.903 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.398 3.029 4.976 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.737 3.287 6.097 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.189 4.883 6.568 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.895 5.549 4.258 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.169 3.913 3.693 1.00 0.00 H new ATOM 205 N CYS A 17 -4.347 5.365 4.846 1.00 0.00 N ATOM 206 CA CYS A 17 -3.433 6.501 4.803 1.00 0.00 C ATOM 207 C CYS A 17 -3.883 7.522 3.763 1.00 0.00 C ATOM 208 O CYS A 17 -4.007 7.206 2.580 1.00 0.00 O ATOM 209 CB CYS A 17 -2.013 6.028 4.490 1.00 0.00 C ATOM 210 SG CYS A 17 -1.371 4.799 5.651 1.00 0.00 S ATOM 0 H CYS A 17 -4.720 5.089 3.938 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.441 6.979 5.782 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.995 5.607 3.485 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.347 6.891 4.486 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.206 4.656 6.637 1.00 0.00 H new ATOM 216 N LYS A 18 -4.130 8.748 4.213 1.00 0.00 N ATOM 217 CA LYS A 18 -4.567 9.816 3.323 1.00 0.00 C ATOM 218 C LYS A 18 -3.452 10.835 3.107 1.00 0.00 C ATOM 219 O LYS A 18 -3.222 11.706 3.947 1.00 0.00 O ATOM 220 CB LYS A 18 -5.804 10.512 3.897 1.00 0.00 C ATOM 221 CG LYS A 18 -7.099 9.762 3.636 1.00 0.00 C ATOM 222 CD LYS A 18 -8.302 10.688 3.704 1.00 0.00 C ATOM 223 CE LYS A 18 -9.580 9.919 4.002 1.00 0.00 C ATOM 224 NZ LYS A 18 -10.689 10.824 4.414 1.00 0.00 N ATOM 0 H LYS A 18 -4.035 9.026 5.190 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.821 9.372 2.361 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.675 10.635 4.972 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.880 11.511 3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.056 9.291 2.654 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.212 8.963 4.368 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.140 11.440 4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.408 11.219 2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.880 9.356 3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.391 9.193 4.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.542 10.262 4.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.413 11.342 5.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.887 11.501 3.650 1.00 0.00 H new ATOM 238 N LEU A 19 -2.764 10.721 1.977 1.00 0.00 N ATOM 239 CA LEU A 19 -1.674 11.634 1.649 1.00 0.00 C ATOM 240 C LEU A 19 -2.192 12.851 0.890 1.00 0.00 C ATOM 241 O LEU A 19 -3.149 12.754 0.121 1.00 0.00 O ATOM 242 CB LEU A 19 -0.612 10.913 0.817 1.00 0.00 C ATOM 243 CG LEU A 19 0.403 10.080 1.601 1.00 0.00 C ATOM 244 CD1 LEU A 19 -0.189 8.730 1.974 1.00 0.00 C ATOM 245 CD2 LEU A 19 1.681 9.899 0.794 1.00 0.00 C ATOM 0 H LEU A 19 -2.941 10.005 1.272 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.226 11.976 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.118 10.259 0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.069 11.657 0.234 1.00 0.00 H new ATOM 0 HG LEU A 19 0.649 10.612 2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.548 8.151 2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.075 8.879 2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.464 8.190 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.392 9.304 1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.451 9.389 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.116 10.875 0.578 1.00 0.00 H new ATOM 257 N SER A 20 -1.552 13.995 1.109 1.00 0.00 N ATOM 258 CA SER A 20 -1.949 15.232 0.446 1.00 0.00 C ATOM 259 C SER A 20 -0.726 16.031 0.010 1.00 0.00 C ATOM 260 O SER A 20 0.216 16.219 0.781 1.00 0.00 O ATOM 261 CB SER A 20 -2.819 16.078 1.378 1.00 0.00 C ATOM 262 OG SER A 20 -2.036 16.703 2.379 1.00 0.00 O ATOM 0 H SER A 20 -0.757 14.091 1.740 1.00 0.00 H new ATOM 0 HA SER A 20 -2.526 14.971 -0.441 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.347 16.836 0.799 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.576 15.448 1.845 1.00 0.00 H new ATOM 0 HG SER A 20 -2.615 17.239 2.960 1.00 0.00 H new ATOM 268 N LYS A 21 -0.746 16.501 -1.233 1.00 0.00 N ATOM 269 CA LYS A 21 0.360 17.281 -1.775 1.00 0.00 C ATOM 270 C LYS A 21 -0.146 18.330 -2.760 1.00 0.00 C ATOM 271 O LYS A 21 -1.352 18.489 -2.946 1.00 0.00 O ATOM 272 CB LYS A 21 1.370 16.362 -2.466 1.00 0.00 C ATOM 273 CG LYS A 21 0.910 15.867 -3.827 1.00 0.00 C ATOM 274 CD LYS A 21 2.069 15.319 -4.642 1.00 0.00 C ATOM 275 CE LYS A 21 1.601 14.782 -5.985 1.00 0.00 C ATOM 276 NZ LYS A 21 2.729 14.225 -6.783 1.00 0.00 N ATOM 0 H LYS A 21 -1.517 16.355 -1.884 1.00 0.00 H new ATOM 0 HA LYS A 21 0.851 17.792 -0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.313 16.895 -2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.566 15.503 -1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.156 15.090 -3.697 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.436 16.684 -4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.807 16.105 -4.801 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.564 14.524 -4.084 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.852 14.007 -5.825 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.118 15.581 -6.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.392 13.978 -7.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.486 14.935 -6.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.098 13.373 -6.315 1.00 0.00 H new ATOM 290 N GLN A 22 0.784 19.041 -3.390 1.00 0.00 N ATOM 291 CA GLN A 22 0.430 20.074 -4.357 1.00 0.00 C ATOM 292 C GLN A 22 0.438 19.516 -5.776 1.00 0.00 C ATOM 293 O GLN A 22 0.793 18.359 -5.996 1.00 0.00 O ATOM 294 CB GLN A 22 1.401 21.252 -4.254 1.00 0.00 C ATOM 295 CG GLN A 22 1.273 22.034 -2.956 1.00 0.00 C ATOM 296 CD GLN A 22 2.089 23.312 -2.962 1.00 0.00 C ATOM 297 OE1 GLN A 22 2.992 23.489 -2.144 1.00 0.00 O ATOM 298 NE2 GLN A 22 1.775 24.210 -3.888 1.00 0.00 N ATOM 0 H GLN A 22 1.787 18.921 -3.248 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.578 20.421 -4.128 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.421 20.880 -4.345 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.231 21.927 -5.093 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.224 22.278 -2.785 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.594 21.406 -2.125 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.019 24.021 -4.546 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.290 25.089 -3.942 1.00 0.00 H new ATOM 307 N GLU A 23 0.043 20.348 -6.736 1.00 0.00 N ATOM 308 CA GLU A 23 0.003 19.936 -8.134 1.00 0.00 C ATOM 309 C GLU A 23 1.347 20.185 -8.813 1.00 0.00 C ATOM 310 O GLU A 23 1.599 21.270 -9.336 1.00 0.00 O ATOM 311 CB GLU A 23 -1.103 20.686 -8.878 1.00 0.00 C ATOM 312 CG GLU A 23 -0.853 20.814 -10.372 1.00 0.00 C ATOM 313 CD GLU A 23 -2.138 20.916 -11.171 1.00 0.00 C ATOM 314 OE1 GLU A 23 -3.131 20.266 -10.785 1.00 0.00 O ATOM 315 OE2 GLU A 23 -2.149 21.646 -12.184 1.00 0.00 O ATOM 0 H GLU A 23 -0.253 21.310 -6.571 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.208 18.867 -8.165 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.050 20.170 -8.719 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.207 21.683 -8.449 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.241 21.696 -10.560 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.283 19.951 -10.717 1.00 0.00 H new ATOM 322 N GLY A 24 2.207 19.171 -8.799 1.00 0.00 N ATOM 323 CA GLY A 24 3.515 19.300 -9.415 1.00 0.00 C ATOM 324 C GLY A 24 4.644 19.177 -8.411 1.00 0.00 C ATOM 325 O GLY A 24 5.764 19.615 -8.671 1.00 0.00 O ATOM 0 H GLY A 24 2.022 18.263 -8.372 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.629 18.533 -10.181 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.583 20.265 -9.917 1.00 0.00 H new ATOM 329 N GLN A 25 4.348 18.580 -7.261 1.00 0.00 N ATOM 330 CA GLN A 25 5.347 18.404 -6.213 1.00 0.00 C ATOM 331 C GLN A 25 5.482 16.933 -5.832 1.00 0.00 C ATOM 332 O GLN A 25 4.613 16.119 -6.143 1.00 0.00 O ATOM 333 CB GLN A 25 4.976 19.231 -4.981 1.00 0.00 C ATOM 334 CG GLN A 25 6.179 19.702 -4.180 1.00 0.00 C ATOM 335 CD GLN A 25 5.786 20.443 -2.917 1.00 0.00 C ATOM 336 OE1 GLN A 25 4.663 20.933 -2.796 1.00 0.00 O ATOM 337 NE2 GLN A 25 6.711 20.528 -1.968 1.00 0.00 N ATOM 0 H GLN A 25 3.426 18.210 -7.031 1.00 0.00 H new ATOM 0 HA GLN A 25 6.306 18.750 -6.598 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.398 20.099 -5.297 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.330 18.636 -4.335 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.794 18.842 -3.915 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.793 20.353 -4.802 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.629 20.107 -2.111 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.504 21.014 -1.096 1.00 0.00 H new ATOM 346 N ASN A 26 6.577 16.600 -5.156 1.00 0.00 N ATOM 347 CA ASN A 26 6.825 15.227 -4.733 1.00 0.00 C ATOM 348 C ASN A 26 6.146 14.938 -3.398 1.00 0.00 C ATOM 349 O ASN A 26 5.633 15.844 -2.741 1.00 0.00 O ATOM 350 CB ASN A 26 8.330 14.971 -4.619 1.00 0.00 C ATOM 351 CG ASN A 26 9.046 15.137 -5.945 1.00 0.00 C ATOM 352 OD1 ASN A 26 9.915 15.997 -6.090 1.00 0.00 O ATOM 353 ND2 ASN A 26 8.684 14.312 -6.920 1.00 0.00 N ATOM 0 H ASN A 26 7.306 17.262 -4.890 1.00 0.00 H new ATOM 0 HA ASN A 26 6.405 14.559 -5.486 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.758 15.658 -3.889 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.497 13.962 -4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.131 14.376 -7.835 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.959 13.614 -6.755 1.00 0.00 H new ATOM 360 N TYR A 27 6.148 13.670 -3.002 1.00 0.00 N ATOM 361 CA TYR A 27 5.530 13.260 -1.746 1.00 0.00 C ATOM 362 C TYR A 27 6.587 13.021 -0.672 1.00 0.00 C ATOM 363 O TYR A 27 6.428 13.434 0.475 1.00 0.00 O ATOM 364 CB TYR A 27 4.699 11.993 -1.952 1.00 0.00 C ATOM 365 CG TYR A 27 3.260 12.266 -2.326 1.00 0.00 C ATOM 366 CD1 TYR A 27 2.372 12.805 -1.403 1.00 0.00 C ATOM 367 CD2 TYR A 27 2.789 11.986 -3.602 1.00 0.00 C ATOM 368 CE1 TYR A 27 1.056 13.056 -1.741 1.00 0.00 C ATOM 369 CE2 TYR A 27 1.475 12.235 -3.949 1.00 0.00 C ATOM 370 CZ TYR A 27 0.612 12.769 -3.015 1.00 0.00 C ATOM 371 OH TYR A 27 -0.697 13.019 -3.355 1.00 0.00 O ATOM 0 H TYR A 27 6.571 12.908 -3.532 1.00 0.00 H new ATOM 0 HA TYR A 27 4.875 14.065 -1.412 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.160 11.389 -2.734 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.722 11.401 -1.037 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.716 13.032 -0.405 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.461 11.566 -4.336 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.379 13.475 -1.012 1.00 0.00 H new ATOM 0 HE2 TYR A 27 1.125 12.013 -4.946 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.071 13.688 -2.745 1.00 0.00 H new ATOM 381 N GLY A 28 7.669 12.349 -1.055 1.00 0.00 N ATOM 382 CA GLY A 28 8.738 12.065 -0.115 1.00 0.00 C ATOM 383 C GLY A 28 9.055 10.586 -0.027 1.00 0.00 C ATOM 384 O GLY A 28 10.194 10.202 0.239 1.00 0.00 O ATOM 0 H GLY A 28 7.824 11.996 -1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.634 12.608 -0.414 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.457 12.432 0.872 1.00 0.00 H new ATOM 388 N PHE A 29 8.044 9.751 -0.249 1.00 0.00 N ATOM 389 CA PHE A 29 8.220 8.305 -0.190 1.00 0.00 C ATOM 390 C PHE A 29 8.140 7.690 -1.585 1.00 0.00 C ATOM 391 O PHE A 29 7.507 8.244 -2.484 1.00 0.00 O ATOM 392 CB PHE A 29 7.161 7.677 0.718 1.00 0.00 C ATOM 393 CG PHE A 29 5.902 7.293 -0.006 1.00 0.00 C ATOM 394 CD1 PHE A 29 5.014 8.263 -0.441 1.00 0.00 C ATOM 395 CD2 PHE A 29 5.608 5.961 -0.251 1.00 0.00 C ATOM 396 CE1 PHE A 29 3.855 7.912 -1.108 1.00 0.00 C ATOM 397 CE2 PHE A 29 4.451 5.605 -0.917 1.00 0.00 C ATOM 398 CZ PHE A 29 3.572 6.581 -1.345 1.00 0.00 C ATOM 0 H PHE A 29 7.095 10.052 -0.471 1.00 0.00 H new ATOM 0 HA PHE A 29 9.208 8.101 0.222 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.581 6.791 1.194 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.913 8.380 1.514 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.229 9.305 -0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.291 5.193 0.082 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.171 8.678 -1.443 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.234 4.564 -1.103 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.666 6.304 -1.864 1.00 0.00 H new ATOM 408 N PHE A 30 8.786 6.542 -1.757 1.00 0.00 N ATOM 409 CA PHE A 30 8.790 5.852 -3.042 1.00 0.00 C ATOM 410 C PHE A 30 8.573 4.353 -2.854 1.00 0.00 C ATOM 411 O PHE A 30 9.042 3.763 -1.881 1.00 0.00 O ATOM 412 CB PHE A 30 10.110 6.100 -3.774 1.00 0.00 C ATOM 413 CG PHE A 30 10.462 7.555 -3.899 1.00 0.00 C ATOM 414 CD1 PHE A 30 9.668 8.412 -4.644 1.00 0.00 C ATOM 415 CD2 PHE A 30 11.587 8.065 -3.272 1.00 0.00 C ATOM 416 CE1 PHE A 30 9.989 9.751 -4.761 1.00 0.00 C ATOM 417 CE2 PHE A 30 11.913 9.404 -3.384 1.00 0.00 C ATOM 418 CZ PHE A 30 11.114 10.247 -4.131 1.00 0.00 C ATOM 0 H PHE A 30 9.314 6.070 -1.023 1.00 0.00 H new ATOM 0 HA PHE A 30 7.971 6.248 -3.642 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.912 5.585 -3.245 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.052 5.662 -4.770 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.788 8.029 -5.139 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.217 7.409 -2.689 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.361 10.409 -5.344 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.791 9.790 -2.888 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.368 11.293 -4.223 1.00 0.00 H new ATOM 428 N LEU A 31 7.858 3.743 -3.794 1.00 0.00 N ATOM 429 CA LEU A 31 7.577 2.313 -3.733 1.00 0.00 C ATOM 430 C LEU A 31 8.808 1.500 -4.121 1.00 0.00 C ATOM 431 O LEU A 31 9.289 1.585 -5.251 1.00 0.00 O ATOM 432 CB LEU A 31 6.409 1.963 -4.657 1.00 0.00 C ATOM 433 CG LEU A 31 5.061 2.592 -4.302 1.00 0.00 C ATOM 434 CD1 LEU A 31 4.225 2.806 -5.554 1.00 0.00 C ATOM 435 CD2 LEU A 31 4.314 1.721 -3.302 1.00 0.00 C ATOM 0 H LEU A 31 7.463 4.216 -4.607 1.00 0.00 H new ATOM 0 HA LEU A 31 7.308 2.064 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.672 2.263 -5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.291 0.879 -4.666 1.00 0.00 H new ATOM 0 HG LEU A 31 5.244 3.563 -3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.270 3.254 -5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.756 3.470 -6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.050 1.848 -6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.357 2.183 -3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.142 0.736 -3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.907 1.619 -2.393 1.00 0.00 H new ATOM 447 N ARG A 32 9.311 0.711 -3.177 1.00 0.00 N ATOM 448 CA ARG A 32 10.484 -0.119 -3.420 1.00 0.00 C ATOM 449 C ARG A 32 10.142 -1.599 -3.281 1.00 0.00 C ATOM 450 O ARG A 32 9.535 -2.016 -2.294 1.00 0.00 O ATOM 451 CB ARG A 32 11.606 0.250 -2.448 1.00 0.00 C ATOM 452 CG ARG A 32 12.279 1.575 -2.769 1.00 0.00 C ATOM 453 CD ARG A 32 13.089 1.492 -4.054 1.00 0.00 C ATOM 454 NE ARG A 32 14.236 2.395 -4.037 1.00 0.00 N ATOM 455 CZ ARG A 32 15.349 2.157 -3.352 1.00 0.00 C ATOM 456 NH1 ARG A 32 15.464 1.049 -2.632 1.00 0.00 N ATOM 457 NH2 ARG A 32 16.350 3.027 -3.387 1.00 0.00 N ATOM 0 H ARG A 32 8.924 0.629 -2.237 1.00 0.00 H new ATOM 0 HA ARG A 32 10.822 0.063 -4.440 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.200 0.294 -1.437 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.357 -0.540 -2.456 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.523 2.355 -2.864 1.00 0.00 H new ATOM 0 HG3 ARG A 32 12.931 1.862 -1.944 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.435 0.469 -4.199 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.449 1.735 -4.902 1.00 0.00 H new ATOM 0 HE ARG A 32 14.180 3.256 -4.581 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.697 0.377 -2.603 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.320 0.869 -2.107 1.00 0.00 H new ATOM 0 HH21 ARG A 32 16.265 3.880 -3.940 1.00 0.00 H new ATOM 0 HH22 ARG A 32 17.204 2.843 -2.861 1.00 0.00 H new ATOM 471 N ILE A 33 10.536 -2.389 -4.274 1.00 0.00 N ATOM 472 CA ILE A 33 10.271 -3.822 -4.262 1.00 0.00 C ATOM 473 C ILE A 33 11.497 -4.603 -3.801 1.00 0.00 C ATOM 474 O ILE A 33 12.629 -4.145 -3.952 1.00 0.00 O ATOM 475 CB ILE A 33 9.847 -4.329 -5.653 1.00 0.00 C ATOM 476 CG1 ILE A 33 10.963 -4.085 -6.670 1.00 0.00 C ATOM 477 CG2 ILE A 33 8.561 -3.646 -6.095 1.00 0.00 C ATOM 478 CD1 ILE A 33 10.851 -4.947 -7.908 1.00 0.00 C ATOM 0 H ILE A 33 11.040 -2.060 -5.098 1.00 0.00 H new ATOM 0 HA ILE A 33 9.453 -3.985 -3.561 1.00 0.00 H new ATOM 0 HB ILE A 33 9.664 -5.402 -5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.951 -3.036 -6.965 1.00 0.00 H new ATOM 0 HG13 ILE A 33 11.925 -4.271 -6.193 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.273 -4.014 -7.080 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.768 -3.865 -5.380 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.719 -2.569 -6.142 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.675 -4.721 -8.585 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.893 -5.999 -7.624 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.904 -4.744 -8.408 1.00 0.00 H new ATOM 490 N GLU A 34 11.262 -5.785 -3.239 1.00 0.00 N ATOM 491 CA GLU A 34 12.348 -6.630 -2.757 1.00 0.00 C ATOM 492 C GLU A 34 12.248 -8.034 -3.347 1.00 0.00 C ATOM 493 O GLU A 34 11.205 -8.683 -3.263 1.00 0.00 O ATOM 494 CB GLU A 34 12.327 -6.705 -1.229 1.00 0.00 C ATOM 495 CG GLU A 34 13.675 -7.045 -0.617 1.00 0.00 C ATOM 496 CD GLU A 34 14.770 -6.088 -1.050 1.00 0.00 C ATOM 497 OE1 GLU A 34 14.931 -5.036 -0.397 1.00 0.00 O ATOM 498 OE2 GLU A 34 15.465 -6.393 -2.042 1.00 0.00 O ATOM 0 H GLU A 34 10.330 -6.178 -3.107 1.00 0.00 H new ATOM 0 HA GLU A 34 13.290 -6.185 -3.079 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.988 -5.748 -0.831 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.598 -7.455 -0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.591 -7.028 0.470 1.00 0.00 H new ATOM 0 HG3 GLU A 34 13.952 -8.061 -0.899 1.00 0.00 H new ATOM 505 N LYS A 35 13.341 -8.497 -3.946 1.00 0.00 N ATOM 506 CA LYS A 35 13.379 -9.823 -4.550 1.00 0.00 C ATOM 507 C LYS A 35 12.862 -10.879 -3.578 1.00 0.00 C ATOM 508 O LYS A 35 13.259 -10.911 -2.413 1.00 0.00 O ATOM 509 CB LYS A 35 14.805 -10.168 -4.983 1.00 0.00 C ATOM 510 CG LYS A 35 14.878 -11.301 -5.992 1.00 0.00 C ATOM 511 CD LYS A 35 14.644 -10.803 -7.408 1.00 0.00 C ATOM 512 CE LYS A 35 15.935 -10.315 -8.048 1.00 0.00 C ATOM 513 NZ LYS A 35 15.675 -9.376 -9.174 1.00 0.00 N ATOM 0 H LYS A 35 14.212 -7.973 -4.026 1.00 0.00 H new ATOM 0 HA LYS A 35 12.732 -9.814 -5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.270 -9.280 -5.412 1.00 0.00 H new ATOM 0 HB3 LYS A 35 15.387 -10.439 -4.102 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.855 -11.781 -5.931 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.134 -12.058 -5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.218 -11.605 -8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.915 -9.993 -7.394 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.548 -9.819 -7.296 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.506 -11.169 -8.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.579 -9.066 -9.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.111 -9.857 -9.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.153 -8.548 -8.822 1.00 0.00 H new ATOM 527 N ASP A 36 11.977 -11.742 -4.065 1.00 0.00 N ATOM 528 CA ASP A 36 11.408 -12.801 -3.239 1.00 0.00 C ATOM 529 C ASP A 36 10.662 -12.217 -2.044 1.00 0.00 C ATOM 530 O ASP A 36 10.805 -12.691 -0.916 1.00 0.00 O ATOM 531 CB ASP A 36 12.508 -13.747 -2.756 1.00 0.00 C ATOM 532 CG ASP A 36 13.044 -14.628 -3.868 1.00 0.00 C ATOM 533 OD1 ASP A 36 12.344 -15.589 -4.254 1.00 0.00 O ATOM 534 OD2 ASP A 36 14.161 -14.356 -4.354 1.00 0.00 O ATOM 0 H ASP A 36 11.638 -11.729 -5.027 1.00 0.00 H new ATOM 0 HA ASP A 36 10.699 -13.361 -3.848 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.325 -13.163 -2.333 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.117 -14.375 -1.955 1.00 0.00 H new ATOM 539 N THR A 37 9.865 -11.183 -2.298 1.00 0.00 N ATOM 540 CA THR A 37 9.098 -10.533 -1.243 1.00 0.00 C ATOM 541 C THR A 37 7.741 -10.067 -1.757 1.00 0.00 C ATOM 542 O THR A 37 7.615 -9.638 -2.905 1.00 0.00 O ATOM 543 CB THR A 37 9.856 -9.325 -0.661 1.00 0.00 C ATOM 544 OG1 THR A 37 11.245 -9.641 -0.515 1.00 0.00 O ATOM 545 CG2 THR A 37 9.278 -8.922 0.688 1.00 0.00 C ATOM 0 H THR A 37 9.734 -10.778 -3.225 1.00 0.00 H new ATOM 0 HA THR A 37 8.951 -11.274 -0.457 1.00 0.00 H new ATOM 0 HB THR A 37 9.745 -8.488 -1.351 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.580 -9.264 0.325 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.829 -8.067 1.079 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.228 -8.653 0.568 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.362 -9.757 1.384 1.00 0.00 H new ATOM 553 N ASP A 38 6.728 -10.153 -0.902 1.00 0.00 N ATOM 554 CA ASP A 38 5.379 -9.738 -1.270 1.00 0.00 C ATOM 555 C ASP A 38 5.081 -8.336 -0.749 1.00 0.00 C ATOM 556 O ASP A 38 5.657 -7.896 0.245 1.00 0.00 O ATOM 557 CB ASP A 38 4.351 -10.729 -0.723 1.00 0.00 C ATOM 558 CG ASP A 38 4.672 -11.176 0.690 1.00 0.00 C ATOM 559 OD1 ASP A 38 5.341 -10.411 1.416 1.00 0.00 O ATOM 560 OD2 ASP A 38 4.254 -12.289 1.069 1.00 0.00 O ATOM 0 H ASP A 38 6.815 -10.506 0.051 1.00 0.00 H new ATOM 0 HA ASP A 38 5.314 -9.723 -2.358 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.363 -10.269 -0.740 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.308 -11.601 -1.376 1.00 0.00 H new ATOM 565 N GLY A 39 4.177 -7.637 -1.430 1.00 0.00 N ATOM 566 CA GLY A 39 3.818 -6.291 -1.021 1.00 0.00 C ATOM 567 C GLY A 39 4.918 -5.288 -1.304 1.00 0.00 C ATOM 568 O GLY A 39 6.102 -5.628 -1.276 1.00 0.00 O ATOM 0 H GLY A 39 3.687 -7.979 -2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.910 -5.986 -1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.592 -6.286 0.045 1.00 0.00 H new ATOM 572 N HIS A 40 4.529 -4.047 -1.578 1.00 0.00 N ATOM 573 CA HIS A 40 5.492 -2.990 -1.869 1.00 0.00 C ATOM 574 C HIS A 40 5.991 -2.342 -0.581 1.00 0.00 C ATOM 575 O HIS A 40 5.199 -1.884 0.244 1.00 0.00 O ATOM 576 CB HIS A 40 4.861 -1.932 -2.775 1.00 0.00 C ATOM 577 CG HIS A 40 4.887 -2.295 -4.228 1.00 0.00 C ATOM 578 ND1 HIS A 40 5.972 -2.055 -5.044 1.00 0.00 N ATOM 579 CD2 HIS A 40 3.954 -2.886 -5.009 1.00 0.00 C ATOM 580 CE1 HIS A 40 5.704 -2.481 -6.266 1.00 0.00 C ATOM 581 NE2 HIS A 40 4.485 -2.990 -6.271 1.00 0.00 N ATOM 0 H HIS A 40 3.554 -3.748 -1.605 1.00 0.00 H new ATOM 0 HA HIS A 40 6.342 -3.437 -2.384 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.828 -1.772 -2.467 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.385 -0.987 -2.636 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.974 -3.215 -4.698 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.368 -2.423 -7.116 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.015 -3.395 -7.081 1.00 0.00 H new ATOM 590 N LEU A 41 7.309 -2.306 -0.415 1.00 0.00 N ATOM 591 CA LEU A 41 7.915 -1.714 0.772 1.00 0.00 C ATOM 592 C LEU A 41 8.369 -0.284 0.497 1.00 0.00 C ATOM 593 O LEU A 41 8.999 -0.008 -0.524 1.00 0.00 O ATOM 594 CB LEU A 41 9.103 -2.558 1.237 1.00 0.00 C ATOM 595 CG LEU A 41 8.764 -3.932 1.815 1.00 0.00 C ATOM 596 CD1 LEU A 41 8.589 -4.951 0.699 1.00 0.00 C ATOM 597 CD2 LEU A 41 9.845 -4.383 2.787 1.00 0.00 C ATOM 0 H LEU A 41 7.978 -2.680 -1.088 1.00 0.00 H new ATOM 0 HA LEU A 41 7.163 -1.691 1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.777 -2.698 0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.651 -1.994 1.992 1.00 0.00 H new ATOM 0 HG LEU A 41 7.823 -3.854 2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.348 -5.923 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.780 -4.635 0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.514 -5.026 0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.587 -5.363 3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.800 -4.444 2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.923 -3.665 3.604 1.00 0.00 H new ATOM 609 N ILE A 42 8.046 0.621 1.415 1.00 0.00 N ATOM 610 CA ILE A 42 8.424 2.022 1.272 1.00 0.00 C ATOM 611 C ILE A 42 9.844 2.262 1.776 1.00 0.00 C ATOM 612 O ILE A 42 10.270 1.670 2.767 1.00 0.00 O ATOM 613 CB ILE A 42 7.457 2.946 2.035 1.00 0.00 C ATOM 614 CG1 ILE A 42 6.061 2.883 1.414 1.00 0.00 C ATOM 615 CG2 ILE A 42 7.980 4.375 2.035 1.00 0.00 C ATOM 616 CD1 ILE A 42 5.190 1.790 1.993 1.00 0.00 C ATOM 0 H ILE A 42 7.524 0.409 2.265 1.00 0.00 H new ATOM 0 HA ILE A 42 8.374 2.256 0.209 1.00 0.00 H new ATOM 0 HB ILE A 42 7.390 2.605 3.068 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.566 3.844 1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.157 2.729 0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.286 5.016 2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.956 4.405 2.519 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.073 4.728 1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.215 1.805 1.505 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.663 0.822 1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.063 1.954 3.063 1.00 0.00 H new ATOM 628 N ARG A 43 10.570 3.136 1.087 1.00 0.00 N ATOM 629 CA ARG A 43 11.941 3.456 1.464 1.00 0.00 C ATOM 630 C ARG A 43 12.301 4.880 1.049 1.00 0.00 C ATOM 631 O ARG A 43 11.654 5.468 0.183 1.00 0.00 O ATOM 632 CB ARG A 43 12.914 2.465 0.823 1.00 0.00 C ATOM 633 CG ARG A 43 14.164 2.215 1.650 1.00 0.00 C ATOM 634 CD ARG A 43 13.931 1.140 2.700 1.00 0.00 C ATOM 635 NE ARG A 43 14.106 -0.204 2.156 1.00 0.00 N ATOM 636 CZ ARG A 43 15.289 -0.794 2.022 1.00 0.00 C ATOM 637 NH1 ARG A 43 16.394 -0.163 2.392 1.00 0.00 N ATOM 638 NH2 ARG A 43 15.367 -2.019 1.518 1.00 0.00 N ATOM 0 H ARG A 43 10.231 3.635 0.265 1.00 0.00 H new ATOM 0 HA ARG A 43 12.019 3.381 2.549 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.400 1.517 0.662 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.207 2.840 -0.158 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.981 1.914 0.994 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.471 3.141 2.137 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.622 1.288 3.530 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.923 1.239 3.103 1.00 0.00 H new ATOM 0 HE ARG A 43 13.275 -0.718 1.863 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.338 0.778 2.781 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.301 -0.619 2.288 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.519 -2.508 1.233 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.275 -2.471 1.415 1.00 0.00 H new ATOM 652 N VAL A 44 13.339 5.428 1.674 1.00 0.00 N ATOM 653 CA VAL A 44 13.786 6.782 1.370 1.00 0.00 C ATOM 654 C VAL A 44 12.832 7.819 1.951 1.00 0.00 C ATOM 655 O VAL A 44 12.425 8.757 1.265 1.00 0.00 O ATOM 656 CB VAL A 44 13.905 7.005 -0.149 1.00 0.00 C ATOM 657 CG1 VAL A 44 14.679 8.282 -0.442 1.00 0.00 C ATOM 658 CG2 VAL A 44 14.566 5.807 -0.813 1.00 0.00 C ATOM 0 H VAL A 44 13.886 4.955 2.394 1.00 0.00 H new ATOM 0 HA VAL A 44 14.769 6.901 1.826 1.00 0.00 H new ATOM 0 HB VAL A 44 12.902 7.113 -0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.753 8.423 -1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.159 9.132 0.000 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.680 8.207 -0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.642 5.982 -1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.563 5.665 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.967 4.914 -0.632 1.00 0.00 H new ATOM 668 N ILE A 45 12.479 7.645 3.221 1.00 0.00 N ATOM 669 CA ILE A 45 11.574 8.567 3.895 1.00 0.00 C ATOM 670 C ILE A 45 12.336 9.741 4.500 1.00 0.00 C ATOM 671 O ILE A 45 13.042 9.589 5.496 1.00 0.00 O ATOM 672 CB ILE A 45 10.776 7.861 5.007 1.00 0.00 C ATOM 673 CG1 ILE A 45 9.887 6.768 4.411 1.00 0.00 C ATOM 674 CG2 ILE A 45 9.940 8.869 5.781 1.00 0.00 C ATOM 675 CD1 ILE A 45 9.133 5.968 5.450 1.00 0.00 C ATOM 0 H ILE A 45 12.806 6.874 3.803 1.00 0.00 H new ATOM 0 HA ILE A 45 10.880 8.937 3.140 1.00 0.00 H new ATOM 0 HB ILE A 45 11.478 7.395 5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.172 7.225 3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.504 6.091 3.821 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.382 8.355 6.563 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.595 9.614 6.233 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.243 9.361 5.102 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.524 5.212 4.955 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.842 5.481 6.120 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.489 6.634 6.025 1.00 0.00 H new ATOM 687 N GLU A 46 12.186 10.914 3.891 1.00 0.00 N ATOM 688 CA GLU A 46 12.860 12.115 4.370 1.00 0.00 C ATOM 689 C GLU A 46 12.168 12.668 5.612 1.00 0.00 C ATOM 690 O GLU A 46 10.954 12.541 5.766 1.00 0.00 O ATOM 691 CB GLU A 46 12.892 13.181 3.273 1.00 0.00 C ATOM 692 CG GLU A 46 13.865 14.314 3.554 1.00 0.00 C ATOM 693 CD GLU A 46 13.762 15.436 2.539 1.00 0.00 C ATOM 694 OE1 GLU A 46 14.478 15.379 1.518 1.00 0.00 O ATOM 695 OE2 GLU A 46 12.965 16.370 2.766 1.00 0.00 O ATOM 0 H GLU A 46 11.604 11.057 3.066 1.00 0.00 H new ATOM 0 HA GLU A 46 13.883 11.846 4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.160 12.709 2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.891 13.595 3.151 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.675 14.712 4.551 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.882 13.923 3.555 1.00 0.00 H new ATOM 702 N GLU A 47 12.950 13.281 6.495 1.00 0.00 N ATOM 703 CA GLU A 47 12.412 13.852 7.724 1.00 0.00 C ATOM 704 C GLU A 47 11.703 15.174 7.445 1.00 0.00 C ATOM 705 O GLU A 47 12.330 16.154 7.044 1.00 0.00 O ATOM 706 CB GLU A 47 13.531 14.066 8.746 1.00 0.00 C ATOM 707 CG GLU A 47 13.065 13.970 10.189 1.00 0.00 C ATOM 708 CD GLU A 47 14.137 14.386 11.177 1.00 0.00 C ATOM 709 OE1 GLU A 47 15.198 13.727 11.212 1.00 0.00 O ATOM 710 OE2 GLU A 47 13.916 15.368 11.916 1.00 0.00 O ATOM 0 H GLU A 47 13.957 13.395 6.382 1.00 0.00 H new ATOM 0 HA GLU A 47 11.686 13.150 8.133 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.313 13.326 8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.978 15.046 8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.186 14.600 10.326 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.759 12.945 10.401 1.00 0.00 H new ATOM 717 N GLY A 48 10.391 15.193 7.660 1.00 0.00 N ATOM 718 CA GLY A 48 9.618 16.398 7.427 1.00 0.00 C ATOM 719 C GLY A 48 8.890 16.371 6.097 1.00 0.00 C ATOM 720 O GLY A 48 8.793 17.391 5.414 1.00 0.00 O ATOM 0 H GLY A 48 9.850 14.395 7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.894 16.523 8.232 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.281 17.263 7.458 1.00 0.00 H new ATOM 724 N SER A 49 8.378 15.201 5.728 1.00 0.00 N ATOM 725 CA SER A 49 7.660 15.045 4.469 1.00 0.00 C ATOM 726 C SER A 49 6.215 14.624 4.717 1.00 0.00 C ATOM 727 O SER A 49 5.870 14.084 5.768 1.00 0.00 O ATOM 728 CB SER A 49 8.359 14.010 3.584 1.00 0.00 C ATOM 729 OG SER A 49 8.854 12.930 4.356 1.00 0.00 O ATOM 0 H SER A 49 8.447 14.348 6.283 1.00 0.00 H new ATOM 0 HA SER A 49 7.658 16.008 3.958 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.661 13.636 2.835 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.180 14.483 3.046 1.00 0.00 H new ATOM 0 HG SER A 49 9.780 13.113 4.619 1.00 0.00 H new ATOM 735 N PRO A 50 5.347 14.878 3.725 1.00 0.00 N ATOM 736 CA PRO A 50 3.925 14.534 3.811 1.00 0.00 C ATOM 737 C PRO A 50 3.689 13.028 3.765 1.00 0.00 C ATOM 738 O PRO A 50 2.569 12.560 3.967 1.00 0.00 O ATOM 739 CB PRO A 50 3.322 15.208 2.576 1.00 0.00 C ATOM 740 CG PRO A 50 4.454 15.314 1.612 1.00 0.00 C ATOM 741 CD PRO A 50 5.689 15.519 2.445 1.00 0.00 C ATOM 0 HA PRO A 50 3.482 14.862 4.751 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.504 14.618 2.163 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.916 16.190 2.819 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.537 14.411 1.007 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.304 16.146 0.924 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.564 15.059 1.986 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.916 16.577 2.574 1.00 0.00 H new ATOM 749 N ALA A 51 4.750 12.276 3.497 1.00 0.00 N ATOM 750 CA ALA A 51 4.658 10.822 3.427 1.00 0.00 C ATOM 751 C ALA A 51 4.656 10.205 4.821 1.00 0.00 C ATOM 752 O ALA A 51 3.927 9.248 5.083 1.00 0.00 O ATOM 753 CB ALA A 51 5.805 10.260 2.600 1.00 0.00 C ATOM 0 H ALA A 51 5.684 12.648 3.325 1.00 0.00 H new ATOM 0 HA ALA A 51 3.716 10.565 2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.724 9.174 2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.760 10.668 1.590 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.754 10.535 3.060 1.00 0.00 H new ATOM 759 N GLU A 52 5.475 10.757 5.709 1.00 0.00 N ATOM 760 CA GLU A 52 5.567 10.258 7.076 1.00 0.00 C ATOM 761 C GLU A 52 4.375 10.723 7.907 1.00 0.00 C ATOM 762 O GLU A 52 3.722 9.924 8.579 1.00 0.00 O ATOM 763 CB GLU A 52 6.870 10.726 7.728 1.00 0.00 C ATOM 764 CG GLU A 52 7.157 10.061 9.063 1.00 0.00 C ATOM 765 CD GLU A 52 8.630 10.084 9.422 1.00 0.00 C ATOM 766 OE1 GLU A 52 9.246 11.166 9.326 1.00 0.00 O ATOM 767 OE2 GLU A 52 9.167 9.021 9.797 1.00 0.00 O ATOM 0 H GLU A 52 6.084 11.550 5.507 1.00 0.00 H new ATOM 0 HA GLU A 52 5.559 9.169 7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.698 10.528 7.048 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.827 11.806 7.872 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.589 10.564 9.845 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.811 9.028 9.032 1.00 0.00 H new ATOM 774 N LYS A 53 4.096 12.021 7.856 1.00 0.00 N ATOM 775 CA LYS A 53 2.983 12.595 8.603 1.00 0.00 C ATOM 776 C LYS A 53 1.774 11.665 8.577 1.00 0.00 C ATOM 777 O LYS A 53 0.938 11.694 9.480 1.00 0.00 O ATOM 778 CB LYS A 53 2.603 13.959 8.022 1.00 0.00 C ATOM 779 CG LYS A 53 1.978 13.879 6.640 1.00 0.00 C ATOM 780 CD LYS A 53 1.462 15.233 6.182 1.00 0.00 C ATOM 781 CE LYS A 53 0.035 15.473 6.651 1.00 0.00 C ATOM 782 NZ LYS A 53 -0.958 14.777 5.785 1.00 0.00 N ATOM 0 H LYS A 53 4.626 12.696 7.305 1.00 0.00 H new ATOM 0 HA LYS A 53 3.299 12.723 9.638 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.905 14.451 8.699 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.494 14.585 7.973 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.715 13.509 5.927 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.158 13.161 6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.110 16.020 6.568 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.503 15.290 5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.073 15.126 7.679 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.172 16.543 6.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.918 14.965 6.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.873 15.126 4.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.777 13.753 5.803 1.00 0.00 H new ATOM 796 N ALA A 54 1.689 10.841 7.538 1.00 0.00 N ATOM 797 CA ALA A 54 0.585 9.900 7.398 1.00 0.00 C ATOM 798 C ALA A 54 0.903 8.574 8.081 1.00 0.00 C ATOM 799 O ALA A 54 0.460 7.515 7.639 1.00 0.00 O ATOM 800 CB ALA A 54 0.266 9.675 5.927 1.00 0.00 C ATOM 0 H ALA A 54 2.372 10.806 6.781 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.290 10.330 7.887 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.560 8.970 5.838 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.014 10.622 5.466 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.144 9.271 5.422 1.00 0.00 H new ATOM 806 N GLY A 55 1.675 8.641 9.162 1.00 0.00 N ATOM 807 CA GLY A 55 2.039 7.438 9.888 1.00 0.00 C ATOM 808 C GLY A 55 2.698 6.402 8.999 1.00 0.00 C ATOM 809 O GLY A 55 2.668 5.207 9.298 1.00 0.00 O ATOM 0 H GLY A 55 2.054 9.506 9.547 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.717 7.699 10.701 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.147 7.008 10.343 1.00 0.00 H new ATOM 813 N LEU A 56 3.293 6.857 7.902 1.00 0.00 N ATOM 814 CA LEU A 56 3.961 5.961 6.965 1.00 0.00 C ATOM 815 C LEU A 56 5.401 5.700 7.394 1.00 0.00 C ATOM 816 O LEU A 56 6.185 6.632 7.575 1.00 0.00 O ATOM 817 CB LEU A 56 3.935 6.554 5.555 1.00 0.00 C ATOM 818 CG LEU A 56 3.915 5.548 4.404 1.00 0.00 C ATOM 819 CD1 LEU A 56 2.656 4.696 4.462 1.00 0.00 C ATOM 820 CD2 LEU A 56 4.015 6.266 3.066 1.00 0.00 C ATOM 0 H LEU A 56 3.326 7.842 7.639 1.00 0.00 H new ATOM 0 HA LEU A 56 3.425 5.012 6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.057 7.193 5.468 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.809 7.195 5.436 1.00 0.00 H new ATOM 0 HG LEU A 56 4.779 4.891 4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.659 3.986 3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.627 4.153 5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.778 5.338 4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.999 5.534 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.172 6.947 2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.946 6.831 3.025 1.00 0.00 H new ATOM 832 N LEU A 57 5.744 4.426 7.552 1.00 0.00 N ATOM 833 CA LEU A 57 7.092 4.041 7.956 1.00 0.00 C ATOM 834 C LEU A 57 7.732 3.125 6.918 1.00 0.00 C ATOM 835 O LEU A 57 7.055 2.612 6.027 1.00 0.00 O ATOM 836 CB LEU A 57 7.057 3.343 9.317 1.00 0.00 C ATOM 837 CG LEU A 57 5.772 2.583 9.649 1.00 0.00 C ATOM 838 CD1 LEU A 57 6.009 1.608 10.791 1.00 0.00 C ATOM 839 CD2 LEU A 57 4.654 3.554 9.997 1.00 0.00 C ATOM 0 H LEU A 57 5.107 3.642 7.407 1.00 0.00 H new ATOM 0 HA LEU A 57 7.694 4.946 8.034 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.892 2.644 9.366 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.223 4.092 10.091 1.00 0.00 H new ATOM 0 HG LEU A 57 5.471 2.014 8.770 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.084 1.076 11.013 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.779 0.892 10.504 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.334 2.156 11.675 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.747 2.996 10.230 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.946 4.150 10.861 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.467 4.212 9.149 1.00 0.00 H new ATOM 851 N ASP A 58 9.039 2.924 7.040 1.00 0.00 N ATOM 852 CA ASP A 58 9.770 2.066 6.115 1.00 0.00 C ATOM 853 C ASP A 58 9.482 0.594 6.394 1.00 0.00 C ATOM 854 O ASP A 58 9.781 0.087 7.475 1.00 0.00 O ATOM 855 CB ASP A 58 11.273 2.333 6.217 1.00 0.00 C ATOM 856 CG ASP A 58 11.909 1.617 7.392 1.00 0.00 C ATOM 857 OD1 ASP A 58 11.314 1.632 8.489 1.00 0.00 O ATOM 858 OD2 ASP A 58 13.004 1.041 7.214 1.00 0.00 O ATOM 0 H ASP A 58 9.614 3.343 7.770 1.00 0.00 H new ATOM 0 HA ASP A 58 9.436 2.297 5.104 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.759 2.015 5.295 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.443 3.405 6.313 1.00 0.00 H new ATOM 863 N GLY A 59 8.899 -0.086 5.412 1.00 0.00 N ATOM 864 CA GLY A 59 8.580 -1.493 5.572 1.00 0.00 C ATOM 865 C GLY A 59 7.088 -1.757 5.525 1.00 0.00 C ATOM 866 O GLY A 59 6.634 -2.851 5.863 1.00 0.00 O ATOM 0 H GLY A 59 8.642 0.312 4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.072 -2.066 4.786 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.979 -1.847 6.522 1.00 0.00 H new ATOM 870 N ASP A 60 6.324 -0.754 5.107 1.00 0.00 N ATOM 871 CA ASP A 60 4.874 -0.883 5.018 1.00 0.00 C ATOM 872 C ASP A 60 4.462 -1.460 3.666 1.00 0.00 C ATOM 873 O ASP A 60 4.917 -0.998 2.619 1.00 0.00 O ATOM 874 CB ASP A 60 4.205 0.475 5.232 1.00 0.00 C ATOM 875 CG ASP A 60 3.979 0.785 6.699 1.00 0.00 C ATOM 876 OD1 ASP A 60 3.731 -0.163 7.474 1.00 0.00 O ATOM 877 OD2 ASP A 60 4.052 1.974 7.072 1.00 0.00 O ATOM 0 H ASP A 60 6.684 0.157 4.824 1.00 0.00 H new ATOM 0 HA ASP A 60 4.546 -1.567 5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.824 1.255 4.790 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.249 0.492 4.709 1.00 0.00 H new ATOM 882 N ARG A 61 3.600 -2.471 3.698 1.00 0.00 N ATOM 883 CA ARG A 61 3.129 -3.111 2.476 1.00 0.00 C ATOM 884 C ARG A 61 1.774 -2.549 2.055 1.00 0.00 C ATOM 885 O ARG A 61 0.791 -2.655 2.789 1.00 0.00 O ATOM 886 CB ARG A 61 3.026 -4.624 2.675 1.00 0.00 C ATOM 887 CG ARG A 61 4.334 -5.361 2.435 1.00 0.00 C ATOM 888 CD ARG A 61 5.152 -5.474 3.711 1.00 0.00 C ATOM 889 NE ARG A 61 6.237 -6.443 3.582 1.00 0.00 N ATOM 890 CZ ARG A 61 6.881 -6.969 4.618 1.00 0.00 C ATOM 891 NH1 ARG A 61 6.550 -6.621 5.854 1.00 0.00 N ATOM 892 NH2 ARG A 61 7.857 -7.845 4.419 1.00 0.00 N ATOM 0 H ARG A 61 3.214 -2.864 4.556 1.00 0.00 H new ATOM 0 HA ARG A 61 3.850 -2.903 1.686 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.686 -4.826 3.691 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.267 -5.020 2.000 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.125 -6.358 2.046 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.914 -4.837 1.675 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.566 -4.498 3.964 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.501 -5.767 4.534 1.00 0.00 H new ATOM 0 HE ARG A 61 6.516 -6.732 2.644 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.800 -5.948 6.011 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.046 -7.026 6.648 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.114 -8.115 3.470 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.351 -8.248 5.215 1.00 0.00 H new ATOM 906 N VAL A 62 1.730 -1.951 0.869 1.00 0.00 N ATOM 907 CA VAL A 62 0.496 -1.373 0.350 1.00 0.00 C ATOM 908 C VAL A 62 -0.347 -2.425 -0.362 1.00 0.00 C ATOM 909 O VAL A 62 0.063 -2.980 -1.382 1.00 0.00 O ATOM 910 CB VAL A 62 0.785 -0.217 -0.626 1.00 0.00 C ATOM 911 CG1 VAL A 62 1.915 -0.588 -1.574 1.00 0.00 C ATOM 912 CG2 VAL A 62 -0.471 0.153 -1.400 1.00 0.00 C ATOM 0 H VAL A 62 2.534 -1.854 0.249 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.057 -0.987 1.206 1.00 0.00 H new ATOM 0 HB VAL A 62 1.098 0.653 -0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.105 0.241 -2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.817 -0.799 -1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.634 -1.472 -2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.249 0.971 -2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.817 -0.711 -1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.249 0.464 -0.703 1.00 0.00 H new ATOM 922 N LEU A 63 -1.528 -2.697 0.183 1.00 0.00 N ATOM 923 CA LEU A 63 -2.431 -3.683 -0.400 1.00 0.00 C ATOM 924 C LEU A 63 -3.113 -3.127 -1.646 1.00 0.00 C ATOM 925 O LEU A 63 -2.986 -3.685 -2.736 1.00 0.00 O ATOM 926 CB LEU A 63 -3.484 -4.108 0.626 1.00 0.00 C ATOM 927 CG LEU A 63 -2.952 -4.740 1.912 1.00 0.00 C ATOM 928 CD1 LEU A 63 -3.905 -4.480 3.068 1.00 0.00 C ATOM 929 CD2 LEU A 63 -2.735 -6.234 1.722 1.00 0.00 C ATOM 0 H LEU A 63 -1.882 -2.248 1.028 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.842 -4.553 -0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.076 -3.233 0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.161 -4.817 0.150 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.992 -4.282 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.510 -4.937 3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.009 -3.406 3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.880 -4.911 2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.356 -6.667 2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.681 -6.709 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.013 -6.398 0.922 1.00 0.00 H new ATOM 941 N ARG A 64 -3.835 -2.025 -1.477 1.00 0.00 N ATOM 942 CA ARG A 64 -4.537 -1.393 -2.588 1.00 0.00 C ATOM 943 C ARG A 64 -4.123 0.069 -2.732 1.00 0.00 C ATOM 944 O ARG A 64 -3.909 0.764 -1.738 1.00 0.00 O ATOM 945 CB ARG A 64 -6.050 -1.488 -2.385 1.00 0.00 C ATOM 946 CG ARG A 64 -6.575 -2.915 -2.376 1.00 0.00 C ATOM 947 CD ARG A 64 -8.037 -2.967 -1.962 1.00 0.00 C ATOM 948 NE ARG A 64 -8.661 -4.239 -2.318 1.00 0.00 N ATOM 949 CZ ARG A 64 -9.019 -4.560 -3.556 1.00 0.00 C ATOM 950 NH1 ARG A 64 -8.816 -3.707 -4.551 1.00 0.00 N ATOM 951 NH2 ARG A 64 -9.582 -5.736 -3.802 1.00 0.00 N ATOM 0 H ARG A 64 -3.950 -1.551 -0.581 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.267 -1.921 -3.502 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.313 -1.007 -1.443 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.550 -0.931 -3.177 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.461 -3.352 -3.368 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.980 -3.519 -1.691 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.115 -2.814 -0.886 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.579 -2.151 -2.440 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.831 -4.917 -1.576 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.384 -2.802 -4.366 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.092 -3.956 -5.501 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.740 -6.395 -3.040 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.856 -5.981 -4.753 1.00 0.00 H new ATOM 965 N ILE A 65 -4.011 0.527 -3.974 1.00 0.00 N ATOM 966 CA ILE A 65 -3.624 1.906 -4.247 1.00 0.00 C ATOM 967 C ILE A 65 -4.768 2.681 -4.891 1.00 0.00 C ATOM 968 O ILE A 65 -5.271 2.301 -5.948 1.00 0.00 O ATOM 969 CB ILE A 65 -2.391 1.972 -5.167 1.00 0.00 C ATOM 970 CG1 ILE A 65 -1.658 3.302 -4.979 1.00 0.00 C ATOM 971 CG2 ILE A 65 -2.803 1.789 -6.620 1.00 0.00 C ATOM 972 CD1 ILE A 65 -2.565 4.510 -5.073 1.00 0.00 C ATOM 0 H ILE A 65 -4.183 -0.036 -4.807 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.376 2.361 -3.288 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.712 1.163 -4.898 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.166 3.302 -4.007 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.875 3.386 -5.733 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.920 1.838 -7.257 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.285 0.819 -6.742 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.499 2.578 -6.903 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.978 5.417 -4.930 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.038 4.534 -6.055 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.333 4.449 -4.302 1.00 0.00 H new ATOM 984 N ASN A 66 -5.173 3.771 -4.248 1.00 0.00 N ATOM 985 CA ASN A 66 -6.257 4.602 -4.760 1.00 0.00 C ATOM 986 C ASN A 66 -7.465 3.749 -5.136 1.00 0.00 C ATOM 987 O ASN A 66 -8.224 4.093 -6.040 1.00 0.00 O ATOM 988 CB ASN A 66 -5.785 5.401 -5.976 1.00 0.00 C ATOM 989 CG ASN A 66 -6.631 6.635 -6.221 1.00 0.00 C ATOM 990 OD1 ASN A 66 -7.547 6.621 -7.043 1.00 0.00 O ATOM 991 ND2 ASN A 66 -6.327 7.712 -5.506 1.00 0.00 N ATOM 0 H ASN A 66 -4.767 4.100 -3.372 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.554 5.294 -3.972 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.747 5.699 -5.831 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.813 4.763 -6.860 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.861 8.572 -5.627 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.559 7.679 -4.835 1.00 0.00 H new ATOM 998 N GLY A 67 -7.636 2.633 -4.433 1.00 0.00 N ATOM 999 CA GLY A 67 -8.754 1.748 -4.707 1.00 0.00 C ATOM 1000 C GLY A 67 -8.461 0.777 -5.832 1.00 0.00 C ATOM 1001 O GLY A 67 -9.360 0.395 -6.582 1.00 0.00 O ATOM 0 H GLY A 67 -7.021 2.326 -3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.001 1.190 -3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.630 2.343 -4.964 1.00 0.00 H new ATOM 1005 N VAL A 68 -7.200 0.375 -5.953 1.00 0.00 N ATOM 1006 CA VAL A 68 -6.791 -0.558 -6.996 1.00 0.00 C ATOM 1007 C VAL A 68 -5.840 -1.615 -6.446 1.00 0.00 C ATOM 1008 O VAL A 68 -4.748 -1.298 -5.974 1.00 0.00 O ATOM 1009 CB VAL A 68 -6.106 0.173 -8.166 1.00 0.00 C ATOM 1010 CG1 VAL A 68 -5.603 -0.824 -9.198 1.00 0.00 C ATOM 1011 CG2 VAL A 68 -7.060 1.174 -8.800 1.00 0.00 C ATOM 0 H VAL A 68 -6.443 0.681 -5.341 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.697 -1.042 -7.360 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.247 0.720 -7.777 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.122 -0.289 -10.017 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.883 -1.498 -8.733 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.442 -1.401 -9.585 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.560 1.681 -9.625 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.939 0.651 -9.176 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.366 1.908 -8.054 1.00 0.00 H new ATOM 1021 N PHE A 69 -6.263 -2.873 -6.510 1.00 0.00 N ATOM 1022 CA PHE A 69 -5.449 -3.979 -6.017 1.00 0.00 C ATOM 1023 C PHE A 69 -4.143 -4.083 -6.799 1.00 0.00 C ATOM 1024 O PHE A 69 -4.119 -4.569 -7.929 1.00 0.00 O ATOM 1025 CB PHE A 69 -6.224 -5.295 -6.119 1.00 0.00 C ATOM 1026 CG PHE A 69 -5.654 -6.393 -5.268 1.00 0.00 C ATOM 1027 CD1 PHE A 69 -5.597 -6.261 -3.890 1.00 0.00 C ATOM 1028 CD2 PHE A 69 -5.175 -7.558 -5.847 1.00 0.00 C ATOM 1029 CE1 PHE A 69 -5.072 -7.271 -3.105 1.00 0.00 C ATOM 1030 CE2 PHE A 69 -4.650 -8.571 -5.066 1.00 0.00 C ATOM 1031 CZ PHE A 69 -4.599 -8.427 -3.694 1.00 0.00 C ATOM 0 H PHE A 69 -7.164 -3.152 -6.898 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.211 -3.785 -4.971 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.260 -5.121 -5.828 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.236 -5.621 -7.159 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.967 -5.360 -3.424 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.212 -7.676 -6.920 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.032 -7.156 -2.032 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -4.280 -9.474 -5.529 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.190 -9.217 -3.082 1.00 0.00 H new ATOM 1041 N VAL A 70 -3.056 -3.622 -6.187 1.00 0.00 N ATOM 1042 CA VAL A 70 -1.745 -3.663 -6.824 1.00 0.00 C ATOM 1043 C VAL A 70 -0.822 -4.649 -6.117 1.00 0.00 C ATOM 1044 O VAL A 70 0.337 -4.340 -5.839 1.00 0.00 O ATOM 1045 CB VAL A 70 -1.082 -2.273 -6.834 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -1.880 -1.307 -7.697 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -0.941 -1.740 -5.416 1.00 0.00 C ATOM 0 H VAL A 70 -3.058 -3.216 -5.251 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.902 -3.989 -7.852 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.085 -2.369 -7.263 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.396 -0.330 -7.692 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.925 -1.684 -8.719 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.891 -1.214 -7.299 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.471 -0.757 -5.442 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.927 -1.659 -4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.324 -2.422 -4.831 1.00 0.00 H new ATOM 1057 N ASP A 71 -1.342 -5.837 -5.830 1.00 0.00 N ATOM 1058 CA ASP A 71 -0.564 -6.870 -5.157 1.00 0.00 C ATOM 1059 C ASP A 71 0.370 -7.573 -6.137 1.00 0.00 C ATOM 1060 O ASP A 71 1.544 -7.795 -5.843 1.00 0.00 O ATOM 1061 CB ASP A 71 -1.494 -7.891 -4.498 1.00 0.00 C ATOM 1062 CG ASP A 71 -0.800 -9.209 -4.217 1.00 0.00 C ATOM 1063 OD1 ASP A 71 0.386 -9.184 -3.827 1.00 0.00 O ATOM 1064 OD2 ASP A 71 -1.443 -10.266 -4.387 1.00 0.00 O ATOM 0 H ASP A 71 -2.300 -6.109 -6.053 1.00 0.00 H new ATOM 0 HA ASP A 71 0.041 -6.391 -4.387 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.878 -7.479 -3.564 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.353 -8.067 -5.146 1.00 0.00 H new ATOM 1069 N LYS A 72 -0.161 -7.921 -7.305 1.00 0.00 N ATOM 1070 CA LYS A 72 0.624 -8.599 -8.330 1.00 0.00 C ATOM 1071 C LYS A 72 1.139 -7.605 -9.366 1.00 0.00 C ATOM 1072 O LYS A 72 2.151 -7.848 -10.023 1.00 0.00 O ATOM 1073 CB LYS A 72 -0.218 -9.677 -9.017 1.00 0.00 C ATOM 1074 CG LYS A 72 -0.382 -10.939 -8.188 1.00 0.00 C ATOM 1075 CD LYS A 72 0.912 -11.732 -8.117 1.00 0.00 C ATOM 1076 CE LYS A 72 1.200 -12.449 -9.428 1.00 0.00 C ATOM 1077 NZ LYS A 72 1.986 -11.598 -10.364 1.00 0.00 N ATOM 0 H LYS A 72 -1.131 -7.745 -7.565 1.00 0.00 H new ATOM 0 HA LYS A 72 1.480 -9.069 -7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.203 -9.269 -9.241 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.244 -9.935 -9.970 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.703 -10.674 -7.181 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.167 -11.560 -8.620 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.738 -11.062 -7.879 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.849 -12.461 -7.309 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.748 -13.369 -9.226 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.260 -12.735 -9.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.384 -11.313 -11.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.321 -10.750 -9.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.802 -12.136 -10.720 1.00 0.00 H new ATOM 1091 N GLU A 73 0.437 -6.485 -9.506 1.00 0.00 N ATOM 1092 CA GLU A 73 0.825 -5.454 -10.462 1.00 0.00 C ATOM 1093 C GLU A 73 2.315 -5.143 -10.351 1.00 0.00 C ATOM 1094 O GLU A 73 2.992 -5.616 -9.438 1.00 0.00 O ATOM 1095 CB GLU A 73 0.008 -4.181 -10.233 1.00 0.00 C ATOM 1096 CG GLU A 73 -1.452 -4.316 -10.629 1.00 0.00 C ATOM 1097 CD GLU A 73 -1.642 -4.435 -12.129 1.00 0.00 C ATOM 1098 OE1 GLU A 73 -1.265 -5.483 -12.694 1.00 0.00 O ATOM 1099 OE2 GLU A 73 -2.167 -3.479 -12.738 1.00 0.00 O ATOM 0 H GLU A 73 -0.403 -6.268 -8.970 1.00 0.00 H new ATOM 0 HA GLU A 73 0.624 -5.830 -11.465 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.066 -3.907 -9.180 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.456 -3.365 -10.800 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.877 -5.194 -10.142 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.005 -3.450 -10.264 1.00 0.00 H new ATOM 1106 N GLU A 74 2.818 -4.344 -11.287 1.00 0.00 N ATOM 1107 CA GLU A 74 4.228 -3.971 -11.295 1.00 0.00 C ATOM 1108 C GLU A 74 4.411 -2.529 -10.830 1.00 0.00 C ATOM 1109 O GLU A 74 3.531 -1.687 -11.018 1.00 0.00 O ATOM 1110 CB GLU A 74 4.817 -4.145 -12.696 1.00 0.00 C ATOM 1111 CG GLU A 74 6.287 -3.773 -12.789 1.00 0.00 C ATOM 1112 CD GLU A 74 7.202 -4.887 -12.320 1.00 0.00 C ATOM 1113 OE1 GLU A 74 6.962 -6.051 -12.702 1.00 0.00 O ATOM 1114 OE2 GLU A 74 8.157 -4.595 -11.570 1.00 0.00 O ATOM 0 H GLU A 74 2.271 -3.943 -12.049 1.00 0.00 H new ATOM 0 HA GLU A 74 4.755 -4.628 -10.603 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.693 -5.182 -13.007 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.251 -3.532 -13.398 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.529 -3.520 -13.821 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.471 -2.881 -12.190 1.00 0.00 H new ATOM 1121 N HIS A 75 5.560 -2.251 -10.222 1.00 0.00 N ATOM 1122 CA HIS A 75 5.860 -0.910 -9.730 1.00 0.00 C ATOM 1123 C HIS A 75 5.546 0.140 -10.791 1.00 0.00 C ATOM 1124 O HIS A 75 4.860 1.125 -10.519 1.00 0.00 O ATOM 1125 CB HIS A 75 7.329 -0.813 -9.318 1.00 0.00 C ATOM 1126 CG HIS A 75 7.779 0.587 -9.033 1.00 0.00 C ATOM 1127 ND1 HIS A 75 7.024 1.489 -8.312 1.00 0.00 N ATOM 1128 CD2 HIS A 75 8.915 1.238 -9.375 1.00 0.00 C ATOM 1129 CE1 HIS A 75 7.676 2.634 -8.225 1.00 0.00 C ATOM 1130 NE2 HIS A 75 8.827 2.509 -8.862 1.00 0.00 N ATOM 0 H HIS A 75 6.298 -2.935 -10.058 1.00 0.00 H new ATOM 0 HA HIS A 75 5.233 -0.719 -8.859 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.490 -1.426 -8.431 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.949 -1.231 -10.111 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.738 0.833 -9.945 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.328 3.522 -7.719 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.535 3.237 -8.957 1.00 0.00 H new ATOM 1139 N ALA A 76 6.053 -0.076 -12.000 1.00 0.00 N ATOM 1140 CA ALA A 76 5.826 0.851 -13.101 1.00 0.00 C ATOM 1141 C ALA A 76 4.338 1.119 -13.295 1.00 0.00 C ATOM 1142 O ALA A 76 3.947 2.187 -13.765 1.00 0.00 O ATOM 1143 CB ALA A 76 6.438 0.308 -14.384 1.00 0.00 C ATOM 0 H ALA A 76 6.624 -0.886 -12.242 1.00 0.00 H new ATOM 0 HA ALA A 76 6.309 1.796 -12.853 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.260 1.011 -15.198 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.511 0.175 -14.247 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.981 -0.651 -14.627 1.00 0.00 H new ATOM 1149 N GLN A 77 3.513 0.142 -12.932 1.00 0.00 N ATOM 1150 CA GLN A 77 2.067 0.273 -13.068 1.00 0.00 C ATOM 1151 C GLN A 77 1.475 1.026 -11.881 1.00 0.00 C ATOM 1152 O GLN A 77 0.569 1.844 -12.041 1.00 0.00 O ATOM 1153 CB GLN A 77 1.418 -1.107 -13.187 1.00 0.00 C ATOM 1154 CG GLN A 77 1.408 -1.654 -14.606 1.00 0.00 C ATOM 1155 CD GLN A 77 0.320 -1.037 -15.462 1.00 0.00 C ATOM 1156 OE1 GLN A 77 0.592 -0.208 -16.331 1.00 0.00 O ATOM 1157 NE2 GLN A 77 -0.923 -1.438 -15.220 1.00 0.00 N ATOM 0 H GLN A 77 3.821 -0.749 -12.542 1.00 0.00 H new ATOM 0 HA GLN A 77 1.862 0.842 -13.975 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.949 -1.806 -12.541 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.393 -1.050 -12.821 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.377 -1.470 -15.069 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.270 -2.735 -14.574 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.104 -2.127 -14.490 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.697 -1.057 -15.764 1.00 0.00 H new ATOM 1166 N VAL A 78 1.992 0.743 -10.689 1.00 0.00 N ATOM 1167 CA VAL A 78 1.514 1.394 -9.475 1.00 0.00 C ATOM 1168 C VAL A 78 1.892 2.871 -9.458 1.00 0.00 C ATOM 1169 O VAL A 78 1.044 3.737 -9.246 1.00 0.00 O ATOM 1170 CB VAL A 78 2.082 0.715 -8.214 1.00 0.00 C ATOM 1171 CG1 VAL A 78 1.583 1.416 -6.960 1.00 0.00 C ATOM 1172 CG2 VAL A 78 1.715 -0.761 -8.193 1.00 0.00 C ATOM 0 H VAL A 78 2.741 0.068 -10.539 1.00 0.00 H new ATOM 0 HA VAL A 78 0.428 1.300 -9.472 1.00 0.00 H new ATOM 0 HB VAL A 78 3.169 0.795 -8.237 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.994 0.923 -6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.902 2.458 -6.974 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.494 1.370 -6.926 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.124 -1.225 -7.296 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.630 -0.866 -8.193 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.127 -1.251 -9.075 1.00 0.00 H new ATOM 1182 N VAL A 79 3.172 3.151 -9.683 1.00 0.00 N ATOM 1183 CA VAL A 79 3.663 4.524 -9.696 1.00 0.00 C ATOM 1184 C VAL A 79 2.734 5.432 -10.494 1.00 0.00 C ATOM 1185 O VAL A 79 2.506 6.583 -10.122 1.00 0.00 O ATOM 1186 CB VAL A 79 5.081 4.607 -10.291 1.00 0.00 C ATOM 1187 CG1 VAL A 79 5.093 4.079 -11.717 1.00 0.00 C ATOM 1188 CG2 VAL A 79 5.597 6.037 -10.238 1.00 0.00 C ATOM 0 H VAL A 79 3.887 2.445 -9.859 1.00 0.00 H new ATOM 0 HA VAL A 79 3.692 4.860 -8.660 1.00 0.00 H new ATOM 0 HB VAL A 79 5.745 3.983 -9.693 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.103 4.145 -12.121 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.768 3.039 -11.723 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.417 4.674 -12.331 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.600 6.078 -10.662 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.934 6.685 -10.811 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.627 6.375 -9.202 1.00 0.00 H new ATOM 1198 N GLU A 80 2.201 4.907 -11.592 1.00 0.00 N ATOM 1199 CA GLU A 80 1.297 5.672 -12.443 1.00 0.00 C ATOM 1200 C GLU A 80 -0.015 5.962 -11.720 1.00 0.00 C ATOM 1201 O GLU A 80 -0.452 7.111 -11.640 1.00 0.00 O ATOM 1202 CB GLU A 80 1.019 4.913 -13.742 1.00 0.00 C ATOM 1203 CG GLU A 80 0.371 5.767 -14.819 1.00 0.00 C ATOM 1204 CD GLU A 80 0.692 5.281 -16.220 1.00 0.00 C ATOM 1205 OE1 GLU A 80 1.875 5.348 -16.614 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -0.240 4.835 -16.921 1.00 0.00 O ATOM 0 H GLU A 80 2.379 3.956 -11.913 1.00 0.00 H new ATOM 0 HA GLU A 80 1.779 6.620 -12.681 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.956 4.510 -14.125 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.371 4.063 -13.525 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.710 5.766 -14.677 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.706 6.798 -14.710 1.00 0.00 H new ATOM 1213 N LEU A 81 -0.639 4.914 -11.196 1.00 0.00 N ATOM 1214 CA LEU A 81 -1.902 5.055 -10.479 1.00 0.00 C ATOM 1215 C LEU A 81 -1.781 6.083 -9.360 1.00 0.00 C ATOM 1216 O LEU A 81 -2.743 6.781 -9.037 1.00 0.00 O ATOM 1217 CB LEU A 81 -2.338 3.706 -9.903 1.00 0.00 C ATOM 1218 CG LEU A 81 -2.454 2.555 -10.903 1.00 0.00 C ATOM 1219 CD1 LEU A 81 -2.157 1.227 -10.225 1.00 0.00 C ATOM 1220 CD2 LEU A 81 -3.838 2.536 -11.536 1.00 0.00 C ATOM 0 H LEU A 81 -0.292 3.957 -11.254 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.656 5.402 -11.186 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.627 3.418 -9.128 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.304 3.837 -9.416 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.718 2.709 -11.692 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.244 0.420 -10.952 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.145 1.243 -9.821 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.869 1.065 -9.415 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.903 1.711 -12.245 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.592 2.407 -10.759 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.012 3.477 -12.058 1.00 0.00 H new ATOM 1232 N VAL A 82 -0.593 6.173 -8.771 1.00 0.00 N ATOM 1233 CA VAL A 82 -0.344 7.119 -7.690 1.00 0.00 C ATOM 1234 C VAL A 82 -0.259 8.547 -8.218 1.00 0.00 C ATOM 1235 O VAL A 82 -0.633 9.497 -7.531 1.00 0.00 O ATOM 1236 CB VAL A 82 0.956 6.783 -6.937 1.00 0.00 C ATOM 1237 CG1 VAL A 82 1.218 7.803 -5.840 1.00 0.00 C ATOM 1238 CG2 VAL A 82 0.891 5.375 -6.364 1.00 0.00 C ATOM 0 H VAL A 82 0.213 5.602 -9.025 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.184 7.039 -7.000 1.00 0.00 H new ATOM 0 HB VAL A 82 1.785 6.825 -7.643 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.141 7.548 -5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.312 8.795 -6.281 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.389 7.797 -5.132 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.818 5.154 -5.835 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.052 5.302 -5.672 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.756 4.658 -7.174 1.00 0.00 H new ATOM 1248 N ARG A 83 0.237 8.690 -9.443 1.00 0.00 N ATOM 1249 CA ARG A 83 0.373 10.003 -10.063 1.00 0.00 C ATOM 1250 C ARG A 83 -0.988 10.546 -10.490 1.00 0.00 C ATOM 1251 O ARG A 83 -1.351 11.673 -10.156 1.00 0.00 O ATOM 1252 CB ARG A 83 1.306 9.924 -11.273 1.00 0.00 C ATOM 1253 CG ARG A 83 1.238 11.147 -12.174 1.00 0.00 C ATOM 1254 CD ARG A 83 2.567 11.400 -12.869 1.00 0.00 C ATOM 1255 NE ARG A 83 2.576 12.672 -13.587 1.00 0.00 N ATOM 1256 CZ ARG A 83 3.636 13.145 -14.231 1.00 0.00 C ATOM 1257 NH1 ARG A 83 4.768 12.454 -14.248 1.00 0.00 N ATOM 1258 NH2 ARG A 83 3.566 14.311 -14.861 1.00 0.00 N ATOM 0 H ARG A 83 0.551 7.914 -10.025 1.00 0.00 H new ATOM 0 HA ARG A 83 0.801 10.683 -9.327 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.331 9.797 -10.924 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.056 9.038 -11.857 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.456 11.007 -12.921 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.963 12.021 -11.583 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.369 11.395 -12.131 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.771 10.588 -13.567 1.00 0.00 H new ATOM 0 HE ARG A 83 1.721 13.227 -13.594 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.825 11.557 -13.766 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.581 12.819 -14.744 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.697 14.845 -14.851 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.381 14.673 -15.355 1.00 0.00 H new ATOM 1272 N LYS A 84 -1.735 9.736 -11.232 1.00 0.00 N ATOM 1273 CA LYS A 84 -3.056 10.133 -11.706 1.00 0.00 C ATOM 1274 C LYS A 84 -4.009 10.356 -10.536 1.00 0.00 C ATOM 1275 O LYS A 84 -4.883 11.221 -10.591 1.00 0.00 O ATOM 1276 CB LYS A 84 -3.625 9.067 -12.645 1.00 0.00 C ATOM 1277 CG LYS A 84 -3.915 7.744 -11.959 1.00 0.00 C ATOM 1278 CD LYS A 84 -4.394 6.695 -12.949 1.00 0.00 C ATOM 1279 CE LYS A 84 -5.767 7.040 -13.505 1.00 0.00 C ATOM 1280 NZ LYS A 84 -5.674 7.874 -14.736 1.00 0.00 N ATOM 0 H LYS A 84 -1.448 8.800 -11.518 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.952 11.071 -12.251 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.545 9.443 -13.093 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.920 8.898 -13.459 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.015 7.388 -11.458 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.672 7.891 -11.189 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.679 6.612 -13.768 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.432 5.722 -12.460 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.309 6.121 -13.729 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.342 7.573 -12.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.214 8.752 -14.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.678 8.106 -14.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.065 7.347 -15.543 1.00 0.00 H new ATOM 1294 N SER A 85 -3.834 9.571 -9.478 1.00 0.00 N ATOM 1295 CA SER A 85 -4.680 9.682 -8.295 1.00 0.00 C ATOM 1296 C SER A 85 -5.044 11.138 -8.022 1.00 0.00 C ATOM 1297 O SER A 85 -6.219 11.502 -8.001 1.00 0.00 O ATOM 1298 CB SER A 85 -3.972 9.084 -7.078 1.00 0.00 C ATOM 1299 OG SER A 85 -4.062 7.670 -7.078 1.00 0.00 O ATOM 0 H SER A 85 -3.114 8.851 -9.416 1.00 0.00 H new ATOM 0 HA SER A 85 -5.598 9.125 -8.482 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.924 9.385 -7.079 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.416 9.480 -6.165 1.00 0.00 H new ATOM 0 HG SER A 85 -3.892 7.331 -7.982 1.00 0.00 H new ATOM 1305 N GLY A 86 -4.026 11.967 -7.813 1.00 0.00 N ATOM 1306 CA GLY A 86 -4.258 13.374 -7.543 1.00 0.00 C ATOM 1307 C GLY A 86 -3.664 13.817 -6.221 1.00 0.00 C ATOM 1308 O GLY A 86 -3.104 13.008 -5.483 1.00 0.00 O ATOM 0 H GLY A 86 -3.045 11.689 -7.826 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.829 13.971 -8.348 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.331 13.568 -7.539 1.00 0.00 H new ATOM 1312 N ASN A 87 -3.785 15.106 -5.922 1.00 0.00 N ATOM 1313 CA ASN A 87 -3.253 15.656 -4.680 1.00 0.00 C ATOM 1314 C ASN A 87 -3.520 14.714 -3.510 1.00 0.00 C ATOM 1315 O ASN A 87 -2.630 14.439 -2.705 1.00 0.00 O ATOM 1316 CB ASN A 87 -3.872 17.026 -4.398 1.00 0.00 C ATOM 1317 CG ASN A 87 -4.020 17.863 -5.654 1.00 0.00 C ATOM 1318 OD1 ASN A 87 -4.966 17.688 -6.422 1.00 0.00 O ATOM 1319 ND2 ASN A 87 -3.083 18.779 -5.868 1.00 0.00 N ATOM 0 H ASN A 87 -4.247 15.789 -6.522 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.175 15.769 -4.794 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.850 16.892 -3.937 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.252 17.561 -3.679 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.130 19.373 -6.696 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.316 18.889 -5.204 1.00 0.00 H new ATOM 1326 N SER A 88 -4.751 14.222 -3.422 1.00 0.00 N ATOM 1327 CA SER A 88 -5.137 13.313 -2.349 1.00 0.00 C ATOM 1328 C SER A 88 -5.099 11.864 -2.824 1.00 0.00 C ATOM 1329 O SER A 88 -5.783 11.493 -3.778 1.00 0.00 O ATOM 1330 CB SER A 88 -6.538 13.658 -1.839 1.00 0.00 C ATOM 1331 OG SER A 88 -7.489 13.606 -2.888 1.00 0.00 O ATOM 0 H SER A 88 -5.499 14.438 -4.081 1.00 0.00 H new ATOM 0 HA SER A 88 -4.423 13.429 -1.534 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.823 12.962 -1.050 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.533 14.655 -1.398 1.00 0.00 H new ATOM 0 HG SER A 88 -7.304 12.831 -3.459 1.00 0.00 H new ATOM 1337 N VAL A 89 -4.293 11.048 -2.151 1.00 0.00 N ATOM 1338 CA VAL A 89 -4.165 9.639 -2.503 1.00 0.00 C ATOM 1339 C VAL A 89 -4.380 8.748 -1.285 1.00 0.00 C ATOM 1340 O VAL A 89 -3.917 9.055 -0.186 1.00 0.00 O ATOM 1341 CB VAL A 89 -2.782 9.336 -3.110 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -2.661 7.858 -3.450 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -2.541 10.196 -4.341 1.00 0.00 C ATOM 0 H VAL A 89 -3.719 11.339 -1.359 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.934 9.426 -3.246 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.018 9.578 -2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.678 7.662 -3.878 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.787 7.265 -2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.431 7.586 -4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.559 9.969 -4.757 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.308 9.987 -5.087 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.582 11.249 -4.063 1.00 0.00 H new ATOM 1353 N THR A 90 -5.086 7.639 -1.487 1.00 0.00 N ATOM 1354 CA THR A 90 -5.363 6.702 -0.406 1.00 0.00 C ATOM 1355 C THR A 90 -4.519 5.440 -0.542 1.00 0.00 C ATOM 1356 O THR A 90 -4.343 4.914 -1.642 1.00 0.00 O ATOM 1357 CB THR A 90 -6.852 6.309 -0.372 1.00 0.00 C ATOM 1358 OG1 THR A 90 -7.669 7.484 -0.347 1.00 0.00 O ATOM 1359 CG2 THR A 90 -7.156 5.447 0.844 1.00 0.00 C ATOM 0 H THR A 90 -5.476 7.368 -2.390 1.00 0.00 H new ATOM 0 HA THR A 90 -5.107 7.208 0.525 1.00 0.00 H new ATOM 0 HB THR A 90 -7.074 5.733 -1.271 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.614 7.225 -0.327 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.213 5.182 0.847 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.554 4.539 0.806 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.919 6.002 1.752 1.00 0.00 H new ATOM 1367 N LEU A 91 -3.999 4.958 0.581 1.00 0.00 N ATOM 1368 CA LEU A 91 -3.172 3.756 0.588 1.00 0.00 C ATOM 1369 C LEU A 91 -3.476 2.893 1.808 1.00 0.00 C ATOM 1370 O LEU A 91 -3.678 3.406 2.910 1.00 0.00 O ATOM 1371 CB LEU A 91 -1.690 4.132 0.570 1.00 0.00 C ATOM 1372 CG LEU A 91 -1.252 5.086 -0.542 1.00 0.00 C ATOM 1373 CD1 LEU A 91 -0.009 5.856 -0.126 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -1.002 4.321 -1.833 1.00 0.00 C ATOM 0 H LEU A 91 -4.135 5.381 1.499 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.404 3.180 -0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.439 4.585 1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.105 3.216 0.487 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.055 5.802 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.288 6.530 -0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.223 6.435 0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.801 5.156 0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.691 5.016 -2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.217 3.582 -1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.918 3.817 -2.140 1.00 0.00 H new ATOM 1386 N LEU A 92 -3.503 1.581 1.607 1.00 0.00 N ATOM 1387 CA LEU A 92 -3.779 0.645 2.692 1.00 0.00 C ATOM 1388 C LEU A 92 -2.530 -0.149 3.057 1.00 0.00 C ATOM 1389 O LEU A 92 -2.072 -0.994 2.288 1.00 0.00 O ATOM 1390 CB LEU A 92 -4.906 -0.310 2.294 1.00 0.00 C ATOM 1391 CG LEU A 92 -6.327 0.247 2.399 1.00 0.00 C ATOM 1392 CD1 LEU A 92 -7.330 -0.734 1.813 1.00 0.00 C ATOM 1393 CD2 LEU A 92 -6.670 0.563 3.847 1.00 0.00 C ATOM 0 H LEU A 92 -3.337 1.140 0.702 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.089 1.220 3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.738 -0.630 1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.839 -1.200 2.920 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.377 1.172 1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.335 -0.320 1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.096 -0.910 0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.279 -1.676 2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.684 0.958 3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.602 -0.346 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -5.970 1.304 4.233 1.00 0.00 H new ATOM 1405 N VAL A 93 -1.983 0.127 4.237 1.00 0.00 N ATOM 1406 CA VAL A 93 -0.788 -0.564 4.706 1.00 0.00 C ATOM 1407 C VAL A 93 -1.129 -1.569 5.801 1.00 0.00 C ATOM 1408 O VAL A 93 -1.938 -1.290 6.686 1.00 0.00 O ATOM 1409 CB VAL A 93 0.259 0.429 5.245 1.00 0.00 C ATOM 1410 CG1 VAL A 93 0.775 1.321 4.126 1.00 0.00 C ATOM 1411 CG2 VAL A 93 -0.328 1.262 6.374 1.00 0.00 C ATOM 0 H VAL A 93 -2.349 0.824 4.885 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.370 -1.092 3.849 1.00 0.00 H new ATOM 0 HB VAL A 93 1.101 -0.138 5.643 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.514 2.016 4.526 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.236 0.706 3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.055 1.882 3.696 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.426 1.958 6.743 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.188 1.821 6.005 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.643 0.605 7.185 1.00 0.00 H new ATOM 1421 N LEU A 94 -0.506 -2.741 5.734 1.00 0.00 N ATOM 1422 CA LEU A 94 -0.743 -3.790 6.720 1.00 0.00 C ATOM 1423 C LEU A 94 0.516 -4.063 7.537 1.00 0.00 C ATOM 1424 O LEU A 94 1.633 -3.872 7.057 1.00 0.00 O ATOM 1425 CB LEU A 94 -1.204 -5.074 6.028 1.00 0.00 C ATOM 1426 CG LEU A 94 -1.980 -6.064 6.897 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -3.447 -5.669 6.976 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -1.835 -7.478 6.354 1.00 0.00 C ATOM 0 H LEU A 94 0.166 -2.988 5.008 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.526 -3.448 7.396 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.829 -4.800 5.178 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.327 -5.582 5.628 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.563 -6.039 7.904 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.984 -6.385 7.599 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.533 -4.674 7.412 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.877 -5.665 5.974 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.394 -8.169 6.985 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.225 -7.519 5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.782 -7.760 6.351 1.00 0.00 H new ATOM 1440 N ASP A 95 0.327 -4.513 8.772 1.00 0.00 N ATOM 1441 CA ASP A 95 1.448 -4.817 9.655 1.00 0.00 C ATOM 1442 C ASP A 95 2.195 -6.058 9.178 1.00 0.00 C ATOM 1443 O ASP A 95 1.590 -7.096 8.913 1.00 0.00 O ATOM 1444 CB ASP A 95 0.954 -5.023 11.088 1.00 0.00 C ATOM 1445 CG ASP A 95 0.429 -3.744 11.710 1.00 0.00 C ATOM 1446 OD1 ASP A 95 -0.779 -3.465 11.563 1.00 0.00 O ATOM 1447 OD2 ASP A 95 1.227 -3.021 12.343 1.00 0.00 O ATOM 0 H ASP A 95 -0.591 -4.676 9.185 1.00 0.00 H new ATOM 0 HA ASP A 95 2.135 -3.971 9.634 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.166 -5.776 11.093 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.770 -5.412 11.698 1.00 0.00 H new ATOM 1452 N GLY A 96 3.515 -5.942 9.069 1.00 0.00 N ATOM 1453 CA GLY A 96 4.324 -7.061 8.622 1.00 0.00 C ATOM 1454 C GLY A 96 3.817 -8.389 9.149 1.00 0.00 C ATOM 1455 O GLY A 96 3.454 -9.274 8.374 1.00 0.00 O ATOM 0 H GLY A 96 4.039 -5.093 9.282 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.334 -7.086 7.532 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.354 -6.914 8.947 1.00 0.00 H new ATOM 1459 N ASP A 97 3.794 -8.530 10.470 1.00 0.00 N ATOM 1460 CA ASP A 97 3.329 -9.760 11.100 1.00 0.00 C ATOM 1461 C ASP A 97 1.963 -10.167 10.555 1.00 0.00 C ATOM 1462 O ASP A 97 1.770 -11.303 10.123 1.00 0.00 O ATOM 1463 CB ASP A 97 3.255 -9.585 12.618 1.00 0.00 C ATOM 1464 CG ASP A 97 2.050 -8.770 13.048 1.00 0.00 C ATOM 1465 OD1 ASP A 97 0.972 -9.367 13.252 1.00 0.00 O ATOM 1466 OD2 ASP A 97 2.187 -7.536 13.182 1.00 0.00 O ATOM 0 H ASP A 97 4.092 -7.807 11.125 1.00 0.00 H new ATOM 0 HA ASP A 97 4.043 -10.550 10.868 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.215 -10.565 13.093 1.00 0.00 H new ATOM 0 HB3 ASP A 97 4.164 -9.097 12.970 1.00 0.00 H new ATOM 1471 N SER A 98 1.019 -9.231 10.579 1.00 0.00 N ATOM 1472 CA SER A 98 -0.330 -9.494 10.092 1.00 0.00 C ATOM 1473 C SER A 98 -0.296 -10.060 8.676 1.00 0.00 C ATOM 1474 O SER A 98 -0.979 -11.038 8.370 1.00 0.00 O ATOM 1475 CB SER A 98 -1.163 -8.211 10.121 1.00 0.00 C ATOM 1476 OG SER A 98 -1.535 -7.873 11.446 1.00 0.00 O ATOM 0 H SER A 98 1.164 -8.284 10.930 1.00 0.00 H new ATOM 0 HA SER A 98 -0.790 -10.233 10.748 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.592 -7.393 9.681 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.057 -8.341 9.511 1.00 0.00 H new ATOM 0 HG SER A 98 -2.065 -7.049 11.437 1.00 0.00 H new ATOM 1482 N TYR A 99 0.505 -9.440 7.817 1.00 0.00 N ATOM 1483 CA TYR A 99 0.627 -9.879 6.432 1.00 0.00 C ATOM 1484 C TYR A 99 1.231 -11.279 6.356 1.00 0.00 C ATOM 1485 O TYR A 99 0.556 -12.237 5.982 1.00 0.00 O ATOM 1486 CB TYR A 99 1.489 -8.897 5.637 1.00 0.00 C ATOM 1487 CG TYR A 99 1.302 -9.001 4.140 1.00 0.00 C ATOM 1488 CD1 TYR A 99 1.868 -10.046 3.421 1.00 0.00 C ATOM 1489 CD2 TYR A 99 0.559 -8.055 3.446 1.00 0.00 C ATOM 1490 CE1 TYR A 99 1.701 -10.145 2.053 1.00 0.00 C ATOM 1491 CE2 TYR A 99 0.385 -8.146 2.078 1.00 0.00 C ATOM 1492 CZ TYR A 99 0.958 -9.193 1.387 1.00 0.00 C ATOM 1493 OH TYR A 99 0.788 -9.289 0.024 1.00 0.00 O ATOM 0 H TYR A 99 1.080 -8.632 8.055 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.372 -9.909 5.998 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.254 -7.881 5.954 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.538 -9.071 5.877 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.449 -10.794 3.940 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.109 -7.234 3.985 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.150 -10.963 1.509 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.196 -7.402 1.553 1.00 0.00 H new ATOM 0 HH TYR A 99 0.239 -8.541 -0.291 1.00 0.00 H new ATOM 1503 N GLU A 100 2.506 -11.386 6.715 1.00 0.00 N ATOM 1504 CA GLU A 100 3.201 -12.668 6.687 1.00 0.00 C ATOM 1505 C GLU A 100 2.326 -13.774 7.270 1.00 0.00 C ATOM 1506 O GLU A 100 2.276 -14.885 6.742 1.00 0.00 O ATOM 1507 CB GLU A 100 4.515 -12.578 7.467 1.00 0.00 C ATOM 1508 CG GLU A 100 5.502 -11.582 6.883 1.00 0.00 C ATOM 1509 CD GLU A 100 6.917 -11.802 7.382 1.00 0.00 C ATOM 1510 OE1 GLU A 100 7.589 -12.723 6.874 1.00 0.00 O ATOM 1511 OE2 GLU A 100 7.351 -11.052 8.281 1.00 0.00 O ATOM 0 H GLU A 100 3.078 -10.602 7.028 1.00 0.00 H new ATOM 0 HA GLU A 100 3.420 -12.911 5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.297 -12.299 8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 100 4.980 -13.564 7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.488 -11.658 5.796 1.00 0.00 H new ATOM 0 HG3 GLU A 100 5.185 -10.570 7.136 1.00 0.00 H new ATOM 1518 N LYS A 101 1.637 -13.461 8.363 1.00 0.00 N ATOM 1519 CA LYS A 101 0.763 -14.426 9.018 1.00 0.00 C ATOM 1520 C LYS A 101 -0.393 -14.823 8.105 1.00 0.00 C ATOM 1521 O LYS A 101 -0.669 -16.007 7.917 1.00 0.00 O ATOM 1522 CB LYS A 101 0.217 -13.846 10.325 1.00 0.00 C ATOM 1523 CG LYS A 101 -0.363 -14.892 11.260 1.00 0.00 C ATOM 1524 CD LYS A 101 -1.071 -14.252 12.443 1.00 0.00 C ATOM 1525 CE LYS A 101 -0.112 -13.994 13.594 1.00 0.00 C ATOM 1526 NZ LYS A 101 -0.595 -12.904 14.486 1.00 0.00 N ATOM 0 H LYS A 101 1.668 -12.546 8.813 1.00 0.00 H new ATOM 0 HA LYS A 101 1.350 -15.317 9.239 1.00 0.00 H new ATOM 0 HB2 LYS A 101 1.018 -13.315 10.840 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.554 -13.111 10.092 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -1.064 -15.522 10.713 1.00 0.00 H new ATOM 0 HG3 LYS A 101 0.435 -15.542 11.620 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.527 -13.313 12.131 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.879 -14.902 12.780 1.00 0.00 H new ATOM 0 HE2 LYS A 101 0.014 -14.908 14.174 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.869 -13.731 13.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.087 -12.759 15.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.691 -12.025 13.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.519 -13.166 14.885 1.00 0.00 H new ATOM 1540 N ALA A 102 -1.062 -13.825 7.538 1.00 0.00 N ATOM 1541 CA ALA A 102 -2.185 -14.070 6.642 1.00 0.00 C ATOM 1542 C ALA A 102 -1.745 -14.862 5.415 1.00 0.00 C ATOM 1543 O ALA A 102 -2.224 -15.970 5.175 1.00 0.00 O ATOM 1544 CB ALA A 102 -2.822 -12.753 6.222 1.00 0.00 C ATOM 0 H ALA A 102 -0.846 -12.839 7.683 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.924 -14.664 7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.659 -12.951 5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -3.180 -12.224 7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -2.083 -12.139 5.707 1.00 0.00 H new ATOM 1550 N VAL A 103 -0.831 -14.286 4.641 1.00 0.00 N ATOM 1551 CA VAL A 103 -0.326 -14.939 3.439 1.00 0.00 C ATOM 1552 C VAL A 103 0.097 -16.374 3.730 1.00 0.00 C ATOM 1553 O VAL A 103 -0.161 -17.282 2.938 1.00 0.00 O ATOM 1554 CB VAL A 103 0.871 -14.173 2.845 1.00 0.00 C ATOM 1555 CG1 VAL A 103 2.064 -14.232 3.787 1.00 0.00 C ATOM 1556 CG2 VAL A 103 1.234 -14.730 1.477 1.00 0.00 C ATOM 0 H VAL A 103 -0.425 -13.368 4.825 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.141 -14.943 2.715 1.00 0.00 H new ATOM 0 HB VAL A 103 0.586 -13.128 2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.900 -13.685 3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.796 -13.782 4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.353 -15.271 3.944 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.082 -14.177 1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.499 -15.783 1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.381 -14.630 0.805 1.00 0.00 H new ATOM 1566 N LYS A 104 0.747 -16.574 4.871 1.00 0.00 N ATOM 1567 CA LYS A 104 1.205 -17.900 5.269 1.00 0.00 C ATOM 1568 C LYS A 104 0.035 -18.873 5.369 1.00 0.00 C ATOM 1569 O LYS A 104 0.119 -20.009 4.905 1.00 0.00 O ATOM 1570 CB LYS A 104 1.938 -17.827 6.610 1.00 0.00 C ATOM 1571 CG LYS A 104 2.251 -19.189 7.207 1.00 0.00 C ATOM 1572 CD LYS A 104 3.463 -19.822 6.544 1.00 0.00 C ATOM 1573 CE LYS A 104 3.066 -20.649 5.330 1.00 0.00 C ATOM 1574 NZ LYS A 104 4.111 -21.647 4.972 1.00 0.00 N ATOM 0 H LYS A 104 0.969 -15.834 5.537 1.00 0.00 H new ATOM 0 HA LYS A 104 1.892 -18.264 4.505 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.869 -17.276 6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.331 -17.261 7.316 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.433 -19.086 8.277 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.388 -19.845 7.092 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.162 -19.042 6.242 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.983 -20.455 7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.127 -21.164 5.533 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.890 -19.987 4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.802 -22.190 4.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.001 -21.155 4.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.261 -22.295 5.772 1.00 0.00 H new ATOM 1588 N ASN A 105 -1.056 -18.418 5.976 1.00 0.00 N ATOM 1589 CA ASN A 105 -2.245 -19.248 6.136 1.00 0.00 C ATOM 1590 C ASN A 105 -3.168 -19.115 4.929 1.00 0.00 C ATOM 1591 O ASN A 105 -4.359 -19.415 5.010 1.00 0.00 O ATOM 1592 CB ASN A 105 -2.995 -18.861 7.411 1.00 0.00 C ATOM 1593 CG ASN A 105 -2.128 -18.976 8.650 1.00 0.00 C ATOM 1594 OD1 ASN A 105 -1.348 -19.918 8.790 1.00 0.00 O ATOM 1595 ND2 ASN A 105 -2.261 -18.015 9.557 1.00 0.00 N ATOM 0 H ASN A 105 -1.142 -17.479 6.365 1.00 0.00 H new ATOM 0 HA ASN A 105 -1.924 -20.287 6.213 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.358 -17.837 7.319 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -3.870 -19.501 7.523 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -1.704 -18.039 10.411 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -2.920 -17.253 9.399 1.00 0.00 H new ATOM 1602 N GLN A 106 -2.609 -18.663 3.810 1.00 0.00 N ATOM 1603 CA GLN A 106 -3.383 -18.489 2.587 1.00 0.00 C ATOM 1604 C GLN A 106 -4.665 -17.709 2.859 1.00 0.00 C ATOM 1605 O GLN A 106 -5.738 -18.071 2.376 1.00 0.00 O ATOM 1606 CB GLN A 106 -3.720 -19.850 1.974 1.00 0.00 C ATOM 1607 CG GLN A 106 -2.540 -20.516 1.284 1.00 0.00 C ATOM 1608 CD GLN A 106 -2.970 -21.546 0.258 1.00 0.00 C ATOM 1609 OE1 GLN A 106 -4.063 -22.105 0.343 1.00 0.00 O ATOM 1610 NE2 GLN A 106 -2.109 -21.801 -0.721 1.00 0.00 N ATOM 0 H GLN A 106 -1.624 -18.411 3.726 1.00 0.00 H new ATOM 0 HA GLN A 106 -2.777 -17.920 1.882 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.092 -20.510 2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.528 -19.724 1.253 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -1.932 -19.754 0.796 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -1.909 -20.996 2.033 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -1.213 -21.314 -0.752 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -2.343 -22.484 -1.441 1.00 0.00 H new ATOM 1619 N VAL A 107 -4.546 -16.637 3.636 1.00 0.00 N ATOM 1620 CA VAL A 107 -5.695 -15.805 3.972 1.00 0.00 C ATOM 1621 C VAL A 107 -5.957 -14.766 2.887 1.00 0.00 C ATOM 1622 O VAL A 107 -5.124 -13.896 2.632 1.00 0.00 O ATOM 1623 CB VAL A 107 -5.493 -15.086 5.318 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -6.689 -14.203 5.637 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -5.254 -16.096 6.431 1.00 0.00 C ATOM 0 H VAL A 107 -3.665 -16.324 4.045 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.555 -16.470 4.050 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.612 -14.449 5.241 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.528 -13.703 6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -6.809 -13.456 4.852 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -7.588 -14.816 5.696 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.113 -15.570 7.375 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.114 -16.760 6.510 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.363 -16.682 6.206 1.00 0.00 H new ATOM 1635 N ASP A 108 -7.120 -14.862 2.252 1.00 0.00 N ATOM 1636 CA ASP A 108 -7.494 -13.929 1.196 1.00 0.00 C ATOM 1637 C ASP A 108 -7.117 -12.501 1.574 1.00 0.00 C ATOM 1638 O ASP A 108 -7.490 -12.011 2.641 1.00 0.00 O ATOM 1639 CB ASP A 108 -8.995 -14.017 0.916 1.00 0.00 C ATOM 1640 CG ASP A 108 -9.470 -15.447 0.747 1.00 0.00 C ATOM 1641 OD1 ASP A 108 -8.740 -16.245 0.121 1.00 0.00 O ATOM 1642 OD2 ASP A 108 -10.571 -15.768 1.241 1.00 0.00 O ATOM 0 H ASP A 108 -7.820 -15.577 2.450 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.948 -14.203 0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.542 -13.550 1.735 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -9.227 -13.451 0.014 1.00 0.00 H new ATOM 1647 N LEU A 109 -6.375 -11.837 0.694 1.00 0.00 N ATOM 1648 CA LEU A 109 -5.947 -10.464 0.936 1.00 0.00 C ATOM 1649 C LEU A 109 -6.795 -9.480 0.136 1.00 0.00 C ATOM 1650 O LEU A 109 -7.148 -8.407 0.626 1.00 0.00 O ATOM 1651 CB LEU A 109 -4.471 -10.298 0.569 1.00 0.00 C ATOM 1652 CG LEU A 109 -3.473 -11.068 1.436 1.00 0.00 C ATOM 1653 CD1 LEU A 109 -2.075 -10.982 0.844 1.00 0.00 C ATOM 1654 CD2 LEU A 109 -3.484 -10.537 2.862 1.00 0.00 C ATOM 0 H LEU A 109 -6.058 -12.227 -0.193 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.079 -10.250 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.338 -10.609 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.222 -9.238 0.618 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.773 -12.116 1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.378 -11.535 1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.077 -11.411 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.766 -9.938 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.768 -11.097 3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.210 -9.482 2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.482 -10.652 3.285 1.00 0.00 H new ATOM 1666 N LYS A 110 -7.120 -9.853 -1.096 1.00 0.00 N ATOM 1667 CA LYS A 110 -7.930 -9.006 -1.964 1.00 0.00 C ATOM 1668 C LYS A 110 -9.107 -8.410 -1.198 1.00 0.00 C ATOM 1669 O LYS A 110 -9.523 -7.283 -1.461 1.00 0.00 O ATOM 1670 CB LYS A 110 -8.442 -9.809 -3.162 1.00 0.00 C ATOM 1671 CG LYS A 110 -7.337 -10.302 -4.080 1.00 0.00 C ATOM 1672 CD LYS A 110 -7.887 -11.168 -5.201 1.00 0.00 C ATOM 1673 CE LYS A 110 -6.810 -12.062 -5.795 1.00 0.00 C ATOM 1674 NZ LYS A 110 -7.386 -13.283 -6.422 1.00 0.00 N ATOM 0 H LYS A 110 -6.835 -10.737 -1.517 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.302 -8.191 -2.323 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -9.010 -10.665 -2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -9.131 -9.190 -3.736 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.808 -9.449 -4.505 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -6.610 -10.872 -3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.702 -11.783 -4.820 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.305 -10.532 -5.982 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.245 -11.503 -6.541 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -6.107 -12.352 -5.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.620 -13.866 -6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.904 -13.830 -5.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -8.037 -13.007 -7.185 1.00 0.00 H new ATOM 1688 N GLU A 111 -9.638 -9.176 -0.249 1.00 0.00 N ATOM 1689 CA GLU A 111 -10.767 -8.722 0.555 1.00 0.00 C ATOM 1690 C GLU A 111 -10.374 -7.526 1.418 1.00 0.00 C ATOM 1691 O GLU A 111 -11.122 -6.554 1.530 1.00 0.00 O ATOM 1692 CB GLU A 111 -11.280 -9.858 1.441 1.00 0.00 C ATOM 1693 CG GLU A 111 -11.711 -11.090 0.662 1.00 0.00 C ATOM 1694 CD GLU A 111 -12.469 -12.086 1.519 1.00 0.00 C ATOM 1695 OE1 GLU A 111 -13.695 -11.916 1.680 1.00 0.00 O ATOM 1696 OE2 GLU A 111 -11.835 -13.035 2.027 1.00 0.00 O ATOM 0 H GLU A 111 -9.305 -10.112 -0.019 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.562 -8.413 -0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.498 -10.139 2.146 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.124 -9.496 2.029 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.339 -10.785 -0.175 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.831 -11.575 0.240 1.00 0.00 H new ATOM 1703 N LEU A 112 -9.197 -7.606 2.027 1.00 0.00 N ATOM 1704 CA LEU A 112 -8.703 -6.532 2.882 1.00 0.00 C ATOM 1705 C LEU A 112 -9.091 -5.168 2.321 1.00 0.00 C ATOM 1706 O LEU A 112 -8.472 -4.675 1.377 1.00 0.00 O ATOM 1707 CB LEU A 112 -7.183 -6.624 3.024 1.00 0.00 C ATOM 1708 CG LEU A 112 -6.633 -7.972 3.490 1.00 0.00 C ATOM 1709 CD1 LEU A 112 -5.121 -8.015 3.333 1.00 0.00 C ATOM 1710 CD2 LEU A 112 -7.028 -8.239 4.935 1.00 0.00 C ATOM 0 H LEU A 112 -8.566 -8.403 1.945 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.161 -6.644 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.733 -6.384 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.857 -5.858 3.728 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.065 -8.754 2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.748 -8.982 3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.860 -7.870 2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.670 -7.224 3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.628 -9.203 5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.625 -7.453 5.574 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.115 -8.253 5.019 1.00 0.00 H new ATOM 1722 N ASP A 113 -10.117 -4.562 2.908 1.00 0.00 N ATOM 1723 CA ASP A 113 -10.586 -3.253 2.469 1.00 0.00 C ATOM 1724 C ASP A 113 -11.389 -2.566 3.569 1.00 0.00 C ATOM 1725 O ASP A 113 -12.528 -2.943 3.846 1.00 0.00 O ATOM 1726 CB ASP A 113 -11.439 -3.390 1.207 1.00 0.00 C ATOM 1727 CG ASP A 113 -12.074 -2.077 0.792 1.00 0.00 C ATOM 1728 OD1 ASP A 113 -11.419 -1.307 0.059 1.00 0.00 O ATOM 1729 OD2 ASP A 113 -13.225 -1.818 1.202 1.00 0.00 O ATOM 0 H ASP A 113 -10.640 -4.957 3.690 1.00 0.00 H new ATOM 0 HA ASP A 113 -9.714 -2.639 2.244 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -10.819 -3.764 0.392 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.221 -4.130 1.379 1.00 0.00 H new ATOM 1734 N GLN A 114 -10.788 -1.559 4.194 1.00 0.00 N ATOM 1735 CA GLN A 114 -11.447 -0.821 5.265 1.00 0.00 C ATOM 1736 C GLN A 114 -12.842 -0.376 4.840 1.00 0.00 C ATOM 1737 O GLN A 114 -13.801 -0.485 5.605 1.00 0.00 O ATOM 1738 CB GLN A 114 -10.610 0.395 5.666 1.00 0.00 C ATOM 1739 CG GLN A 114 -11.310 1.316 6.652 1.00 0.00 C ATOM 1740 CD GLN A 114 -11.088 0.904 8.094 1.00 0.00 C ATOM 1741 OE1 GLN A 114 -11.957 0.294 8.717 1.00 0.00 O ATOM 1742 NE2 GLN A 114 -9.921 1.237 8.632 1.00 0.00 N ATOM 0 H GLN A 114 -9.845 -1.235 3.977 1.00 0.00 H new ATOM 0 HA GLN A 114 -11.543 -1.485 6.124 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -9.673 0.052 6.104 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -10.355 0.962 4.770 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -10.950 2.335 6.510 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -12.379 1.323 6.441 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -9.230 1.743 8.078 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -9.715 0.987 9.599 1.00 0.00 H new