USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=13 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 22 GLN : amide:sc= -0.783 X(o=-1.6,f=-1.8) USER MOD Set 1.2: A 25 GLN : amide:sc= -0.857 K(o=-1.6,f=-6.2!) USER MOD Single : A 11 THR OG1 : rot 51:sc= 0.367 USER MOD Single : A 13 ASN : amide:sc= -0.233 K(o=-0.23,f=-5!) USER MOD Single : A 17 CYS SG : rot -108:sc= 1.03 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 71:sc= -2.16! USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= -0.0356 (180deg=-0.242) USER MOD Single : A 37 THR OG1 : rot 62:sc= 0.821 USER MOD Single : A 40 HIS : no HD1:sc= -0.0058 X(o=-0.0058,f=-0.3) USER MOD Single : A 49 SER OG : rot 180:sc= 0.00134 USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= -0.0248 (180deg=-0.234) USER MOD Single : A 66 ASN : amide:sc= -5.64! K(o=-5.6!,f=-1.2) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc=-0.00295 X(o=-0.0029,f=-0.019) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -125:sc= 0.709 USER MOD Single : A 87 ASN : amide:sc= -1.74! K(o=-1.7!,f=-0.72) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -40:sc= 0.498 USER MOD Single : A 99 TYR OH : rot 15:sc= 1.06 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=-0.3) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.0682 K(o=-0.068,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 104 N THR A 11 -10.405 -11.545 9.686 1.00 0.00 N ATOM 105 CA THR A 11 -10.479 -10.307 8.921 1.00 0.00 C ATOM 106 C THR A 11 -9.421 -9.311 9.382 1.00 0.00 C ATOM 107 O THR A 11 -9.482 -8.799 10.500 1.00 0.00 O ATOM 108 CB THR A 11 -11.869 -9.654 9.041 1.00 0.00 C ATOM 109 OG1 THR A 11 -12.224 -9.506 10.420 1.00 0.00 O ATOM 110 CG2 THR A 11 -12.923 -10.489 8.328 1.00 0.00 C ATOM 0 HA THR A 11 -10.298 -10.569 7.879 1.00 0.00 H new ATOM 0 HB THR A 11 -11.826 -8.672 8.570 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.490 -9.071 10.902 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.896 -10.008 8.426 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.666 -10.575 7.272 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.963 -11.483 8.774 1.00 0.00 H new ATOM 118 N PHE A 12 -8.452 -9.040 8.514 1.00 0.00 N ATOM 119 CA PHE A 12 -7.380 -8.104 8.832 1.00 0.00 C ATOM 120 C PHE A 12 -7.831 -6.664 8.609 1.00 0.00 C ATOM 121 O PHE A 12 -8.432 -6.342 7.586 1.00 0.00 O ATOM 122 CB PHE A 12 -6.145 -8.402 7.980 1.00 0.00 C ATOM 123 CG PHE A 12 -5.562 -9.765 8.224 1.00 0.00 C ATOM 124 CD1 PHE A 12 -6.140 -10.891 7.661 1.00 0.00 C ATOM 125 CD2 PHE A 12 -4.436 -9.920 9.017 1.00 0.00 C ATOM 126 CE1 PHE A 12 -5.607 -12.146 7.885 1.00 0.00 C ATOM 127 CE2 PHE A 12 -3.898 -11.172 9.244 1.00 0.00 C ATOM 128 CZ PHE A 12 -4.483 -12.287 8.676 1.00 0.00 C ATOM 0 H PHE A 12 -8.387 -9.455 7.585 1.00 0.00 H new ATOM 0 HA PHE A 12 -7.125 -8.227 9.885 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.410 -8.312 6.927 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.384 -7.649 8.182 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.017 -10.787 7.040 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.974 -9.052 9.463 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.069 -13.016 7.442 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.021 -11.279 9.865 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.063 -13.267 8.850 1.00 0.00 H new ATOM 138 N ASN A 13 -7.535 -5.801 9.576 1.00 0.00 N ATOM 139 CA ASN A 13 -7.911 -4.395 9.487 1.00 0.00 C ATOM 140 C ASN A 13 -6.680 -3.515 9.286 1.00 0.00 C ATOM 141 O ASN A 13 -6.035 -3.079 10.240 1.00 0.00 O ATOM 142 CB ASN A 13 -8.659 -3.964 10.750 1.00 0.00 C ATOM 143 CG ASN A 13 -7.978 -4.444 12.017 1.00 0.00 C ATOM 144 OD1 ASN A 13 -7.675 -5.628 12.162 1.00 0.00 O ATOM 145 ND2 ASN A 13 -7.734 -3.523 12.943 1.00 0.00 N ATOM 0 H ASN A 13 -7.036 -6.051 10.430 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.568 -4.274 8.625 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.735 -2.877 10.771 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.676 -4.354 10.717 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.278 -3.786 13.817 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.003 -2.553 12.780 1.00 0.00 H new ATOM 152 N PRO A 14 -6.347 -3.247 8.015 1.00 0.00 N ATOM 153 CA PRO A 14 -5.193 -2.416 7.658 1.00 0.00 C ATOM 154 C PRO A 14 -5.402 -0.949 8.016 1.00 0.00 C ATOM 155 O PRO A 14 -6.536 -0.490 8.157 1.00 0.00 O ATOM 156 CB PRO A 14 -5.088 -2.587 6.140 1.00 0.00 C ATOM 157 CG PRO A 14 -6.469 -2.937 5.703 1.00 0.00 C ATOM 158 CD PRO A 14 -7.070 -3.733 6.828 1.00 0.00 C ATOM 0 HA PRO A 14 -4.294 -2.714 8.197 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.741 -1.671 5.661 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.379 -3.372 5.878 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.055 -2.039 5.504 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.451 -3.517 4.780 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.143 -3.561 6.913 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.929 -4.804 6.682 1.00 0.00 H new ATOM 166 N ARG A 15 -4.302 -0.217 8.162 1.00 0.00 N ATOM 167 CA ARG A 15 -4.365 1.198 8.505 1.00 0.00 C ATOM 168 C ARG A 15 -4.426 2.060 7.246 1.00 0.00 C ATOM 169 O ARG A 15 -3.448 2.165 6.507 1.00 0.00 O ATOM 170 CB ARG A 15 -3.154 1.595 9.350 1.00 0.00 C ATOM 171 CG ARG A 15 -3.280 2.969 9.989 1.00 0.00 C ATOM 172 CD ARG A 15 -1.919 3.547 10.342 1.00 0.00 C ATOM 173 NE ARG A 15 -2.010 4.941 10.766 1.00 0.00 N ATOM 174 CZ ARG A 15 -2.397 5.316 11.980 1.00 0.00 C ATOM 175 NH1 ARG A 15 -2.728 4.405 12.885 1.00 0.00 N ATOM 176 NH2 ARG A 15 -2.454 6.605 12.291 1.00 0.00 N ATOM 0 H ARG A 15 -3.356 -0.581 8.048 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.273 1.366 9.084 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.009 0.851 10.134 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.262 1.576 8.723 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.796 3.643 9.306 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.891 2.898 10.889 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.469 2.954 11.139 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.259 3.473 9.478 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.763 5.667 10.093 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.686 3.413 12.650 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.025 4.696 13.817 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.201 7.309 11.597 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.751 6.892 13.224 1.00 0.00 H new ATOM 190 N GLU A 16 -5.581 2.674 7.011 1.00 0.00 N ATOM 191 CA GLU A 16 -5.769 3.524 5.841 1.00 0.00 C ATOM 192 C GLU A 16 -5.118 4.889 6.051 1.00 0.00 C ATOM 193 O GLU A 16 -5.468 5.618 6.980 1.00 0.00 O ATOM 194 CB GLU A 16 -7.260 3.698 5.544 1.00 0.00 C ATOM 195 CG GLU A 16 -7.542 4.605 4.357 1.00 0.00 C ATOM 196 CD GLU A 16 -8.880 5.310 4.467 1.00 0.00 C ATOM 197 OE1 GLU A 16 -9.058 6.097 5.420 1.00 0.00 O ATOM 198 OE2 GLU A 16 -9.748 5.075 3.601 1.00 0.00 O ATOM 0 H GLU A 16 -6.400 2.599 7.614 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.291 3.039 4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.701 2.719 5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.753 4.105 6.427 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.749 5.349 4.276 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.520 4.015 3.441 1.00 0.00 H new ATOM 205 N CYS A 17 -4.171 5.225 5.183 1.00 0.00 N ATOM 206 CA CYS A 17 -3.470 6.501 5.273 1.00 0.00 C ATOM 207 C CYS A 17 -3.806 7.392 4.081 1.00 0.00 C ATOM 208 O CYS A 17 -3.507 7.055 2.936 1.00 0.00 O ATOM 209 CB CYS A 17 -1.959 6.272 5.344 1.00 0.00 C ATOM 210 SG CYS A 17 -1.416 5.383 6.821 1.00 0.00 S ATOM 0 H CYS A 17 -3.871 4.632 4.409 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.798 7.004 6.183 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.645 5.715 4.462 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.454 7.237 5.308 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.807 6.205 7.623 1.00 0.00 H new ATOM 216 N LYS A 18 -4.433 8.530 4.359 1.00 0.00 N ATOM 217 CA LYS A 18 -4.811 9.471 3.311 1.00 0.00 C ATOM 218 C LYS A 18 -3.765 10.571 3.163 1.00 0.00 C ATOM 219 O LYS A 18 -3.700 11.493 3.976 1.00 0.00 O ATOM 220 CB LYS A 18 -6.177 10.089 3.621 1.00 0.00 C ATOM 221 CG LYS A 18 -7.323 9.095 3.559 1.00 0.00 C ATOM 222 CD LYS A 18 -8.624 9.768 3.153 1.00 0.00 C ATOM 223 CE LYS A 18 -8.807 9.762 1.644 1.00 0.00 C ATOM 224 NZ LYS A 18 -10.138 10.299 1.245 1.00 0.00 N ATOM 0 H LYS A 18 -4.690 8.823 5.302 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.871 8.924 2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.147 10.535 4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.369 10.897 2.915 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.083 8.306 2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.446 8.620 4.532 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.463 9.255 3.624 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.633 10.795 3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.021 10.358 1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.699 8.744 1.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.224 10.278 0.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.888 9.715 1.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.232 11.279 1.581 1.00 0.00 H new ATOM 238 N LEU A 19 -2.949 10.468 2.120 1.00 0.00 N ATOM 239 CA LEU A 19 -1.906 11.455 1.864 1.00 0.00 C ATOM 240 C LEU A 19 -2.454 12.631 1.061 1.00 0.00 C ATOM 241 O LEU A 19 -3.419 12.487 0.311 1.00 0.00 O ATOM 242 CB LEU A 19 -0.739 10.811 1.114 1.00 0.00 C ATOM 243 CG LEU A 19 0.367 10.211 1.983 1.00 0.00 C ATOM 244 CD1 LEU A 19 -0.096 8.905 2.611 1.00 0.00 C ATOM 245 CD2 LEU A 19 1.630 9.991 1.162 1.00 0.00 C ATOM 0 H LEU A 19 -2.989 9.711 1.438 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.551 11.828 2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.136 10.025 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.294 11.562 0.461 1.00 0.00 H new ATOM 0 HG LEU A 19 0.595 10.915 2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.704 8.493 3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.972 9.091 3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.353 8.194 1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.406 9.564 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.415 9.307 0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.974 10.944 0.760 1.00 0.00 H new ATOM 257 N SER A 20 -1.830 13.793 1.222 1.00 0.00 N ATOM 258 CA SER A 20 -2.256 14.994 0.513 1.00 0.00 C ATOM 259 C SER A 20 -1.051 15.785 0.013 1.00 0.00 C ATOM 260 O SER A 20 -0.056 15.938 0.720 1.00 0.00 O ATOM 261 CB SER A 20 -3.114 15.873 1.426 1.00 0.00 C ATOM 262 OG SER A 20 -2.419 16.205 2.615 1.00 0.00 O ATOM 0 H SER A 20 -1.028 13.929 1.837 1.00 0.00 H new ATOM 0 HA SER A 20 -2.850 14.687 -0.348 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.395 16.785 0.899 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.038 15.351 1.675 1.00 0.00 H new ATOM 0 HG SER A 20 -2.988 16.768 3.180 1.00 0.00 H new ATOM 268 N LYS A 21 -1.150 16.287 -1.214 1.00 0.00 N ATOM 269 CA LYS A 21 -0.070 17.064 -1.812 1.00 0.00 C ATOM 270 C LYS A 21 -0.621 18.095 -2.792 1.00 0.00 C ATOM 271 O LYS A 21 -1.831 18.188 -2.993 1.00 0.00 O ATOM 272 CB LYS A 21 0.916 16.139 -2.529 1.00 0.00 C ATOM 273 CG LYS A 21 0.408 15.626 -3.865 1.00 0.00 C ATOM 274 CD LYS A 21 1.381 14.643 -4.492 1.00 0.00 C ATOM 275 CE LYS A 21 1.051 14.387 -5.955 1.00 0.00 C ATOM 276 NZ LYS A 21 1.742 13.175 -6.475 1.00 0.00 N ATOM 0 H LYS A 21 -1.967 16.170 -1.813 1.00 0.00 H new ATOM 0 HA LYS A 21 0.452 17.590 -1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.853 16.673 -2.687 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.139 15.289 -1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.559 15.143 -3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.251 16.466 -4.542 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.396 15.032 -4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.354 13.702 -3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.026 14.268 -6.069 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.340 15.253 -6.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.492 13.035 -7.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.771 13.299 -6.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.447 12.344 -5.924 1.00 0.00 H new ATOM 290 N GLN A 22 0.276 18.864 -3.401 1.00 0.00 N ATOM 291 CA GLN A 22 -0.121 19.887 -4.361 1.00 0.00 C ATOM 292 C GLN A 22 -0.351 19.279 -5.741 1.00 0.00 C ATOM 293 O GLN A 22 -0.074 18.101 -5.963 1.00 0.00 O ATOM 294 CB GLN A 22 0.945 20.981 -4.443 1.00 0.00 C ATOM 295 CG GLN A 22 0.794 22.058 -3.382 1.00 0.00 C ATOM 296 CD GLN A 22 1.842 23.147 -3.502 1.00 0.00 C ATOM 297 OE1 GLN A 22 2.094 23.664 -4.591 1.00 0.00 O ATOM 298 NE2 GLN A 22 2.460 23.501 -2.381 1.00 0.00 N ATOM 0 H GLN A 22 1.282 18.798 -3.247 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.057 20.327 -4.018 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.930 20.525 -4.348 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.903 21.445 -5.428 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.198 22.503 -3.460 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.861 21.602 -2.394 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.219 23.046 -1.500 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.175 24.228 -2.401 1.00 0.00 H new ATOM 307 N GLU A 23 -0.858 20.091 -6.663 1.00 0.00 N ATOM 308 CA GLU A 23 -1.125 19.631 -8.021 1.00 0.00 C ATOM 309 C GLU A 23 0.165 19.554 -8.833 1.00 0.00 C ATOM 310 O GLU A 23 0.684 20.570 -9.292 1.00 0.00 O ATOM 311 CB GLU A 23 -2.121 20.565 -8.713 1.00 0.00 C ATOM 312 CG GLU A 23 -3.383 20.815 -7.904 1.00 0.00 C ATOM 313 CD GLU A 23 -4.452 21.537 -8.701 1.00 0.00 C ATOM 314 OE1 GLU A 23 -4.464 21.394 -9.942 1.00 0.00 O ATOM 315 OE2 GLU A 23 -5.276 22.244 -8.084 1.00 0.00 O ATOM 0 H GLU A 23 -1.092 21.069 -6.495 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.556 18.632 -7.961 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.633 21.519 -8.914 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.396 20.139 -9.678 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.779 19.863 -7.551 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.134 21.403 -7.021 1.00 0.00 H new ATOM 322 N GLY A 24 0.677 18.339 -9.005 1.00 0.00 N ATOM 323 CA GLY A 24 1.902 18.150 -9.760 1.00 0.00 C ATOM 324 C GLY A 24 3.135 18.167 -8.879 1.00 0.00 C ATOM 325 O GLY A 24 4.258 18.250 -9.375 1.00 0.00 O ATOM 0 H GLY A 24 0.265 17.482 -8.635 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.854 17.201 -10.293 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.986 18.934 -10.512 1.00 0.00 H new ATOM 329 N GLN A 25 2.925 18.089 -7.569 1.00 0.00 N ATOM 330 CA GLN A 25 4.030 18.098 -6.617 1.00 0.00 C ATOM 331 C GLN A 25 4.305 16.694 -6.090 1.00 0.00 C ATOM 332 O GLN A 25 3.460 15.805 -6.191 1.00 0.00 O ATOM 333 CB GLN A 25 3.720 19.041 -5.453 1.00 0.00 C ATOM 334 CG GLN A 25 4.945 19.425 -4.639 1.00 0.00 C ATOM 335 CD GLN A 25 4.681 20.584 -3.699 1.00 0.00 C ATOM 336 OE1 GLN A 25 4.152 21.619 -4.104 1.00 0.00 O ATOM 337 NE2 GLN A 25 5.049 20.416 -2.434 1.00 0.00 N ATOM 0 H GLN A 25 2.001 18.019 -7.143 1.00 0.00 H new ATOM 0 HA GLN A 25 4.921 18.453 -7.135 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.255 19.946 -5.843 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.991 18.566 -4.796 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.278 18.562 -4.062 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.758 19.689 -5.315 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.484 19.541 -2.141 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.896 21.162 -1.755 1.00 0.00 H new ATOM 346 N ASN A 26 5.493 16.501 -5.526 1.00 0.00 N ATOM 347 CA ASN A 26 5.880 15.204 -4.983 1.00 0.00 C ATOM 348 C ASN A 26 5.391 15.047 -3.547 1.00 0.00 C ATOM 349 O ASN A 26 4.989 16.020 -2.908 1.00 0.00 O ATOM 350 CB ASN A 26 7.400 15.038 -5.037 1.00 0.00 C ATOM 351 CG ASN A 26 7.955 15.243 -6.434 1.00 0.00 C ATOM 352 OD1 ASN A 26 8.568 16.270 -6.725 1.00 0.00 O ATOM 353 ND2 ASN A 26 7.742 14.264 -7.305 1.00 0.00 N ATOM 0 H ASN A 26 6.204 17.226 -5.433 1.00 0.00 H new ATOM 0 HA ASN A 26 5.415 14.430 -5.593 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.865 15.751 -4.356 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.667 14.041 -4.686 1.00 0.00 H new ATOM 0 HD21 ASN A 26 8.092 14.346 -8.260 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.228 13.430 -7.020 1.00 0.00 H new ATOM 360 N TYR A 27 5.429 13.818 -3.045 1.00 0.00 N ATOM 361 CA TYR A 27 4.988 13.533 -1.685 1.00 0.00 C ATOM 362 C TYR A 27 6.158 13.594 -0.709 1.00 0.00 C ATOM 363 O TYR A 27 6.170 14.407 0.214 1.00 0.00 O ATOM 364 CB TYR A 27 4.325 12.156 -1.619 1.00 0.00 C ATOM 365 CG TYR A 27 2.834 12.189 -1.864 1.00 0.00 C ATOM 366 CD1 TYR A 27 1.987 12.901 -1.024 1.00 0.00 C ATOM 367 CD2 TYR A 27 2.271 11.509 -2.938 1.00 0.00 C ATOM 368 CE1 TYR A 27 0.623 12.933 -1.244 1.00 0.00 C ATOM 369 CE2 TYR A 27 0.909 11.537 -3.166 1.00 0.00 C ATOM 370 CZ TYR A 27 0.089 12.250 -2.317 1.00 0.00 C ATOM 371 OH TYR A 27 -1.268 12.281 -2.540 1.00 0.00 O ATOM 0 H TYR A 27 5.761 13.003 -3.560 1.00 0.00 H new ATOM 0 HA TYR A 27 4.260 14.293 -1.400 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.791 11.502 -2.356 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.514 11.718 -0.639 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.402 13.439 -0.184 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.910 10.949 -3.605 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.021 13.490 -0.580 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.488 11.003 -4.005 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.529 13.175 -2.844 1.00 0.00 H new ATOM 381 N GLY A 28 7.144 12.727 -0.921 1.00 0.00 N ATOM 382 CA GLY A 28 8.306 12.698 -0.053 1.00 0.00 C ATOM 383 C GLY A 28 8.791 11.288 0.219 1.00 0.00 C ATOM 384 O GLY A 28 9.926 11.087 0.651 1.00 0.00 O ATOM 0 H GLY A 28 7.158 12.044 -1.679 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.111 13.274 -0.509 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.062 13.184 0.892 1.00 0.00 H new ATOM 388 N PHE A 29 7.929 10.308 -0.032 1.00 0.00 N ATOM 389 CA PHE A 29 8.274 8.909 0.192 1.00 0.00 C ATOM 390 C PHE A 29 8.450 8.174 -1.133 1.00 0.00 C ATOM 391 O PHE A 29 8.036 8.660 -2.186 1.00 0.00 O ATOM 392 CB PHE A 29 7.194 8.223 1.030 1.00 0.00 C ATOM 393 CG PHE A 29 6.025 7.740 0.221 1.00 0.00 C ATOM 394 CD1 PHE A 29 4.997 8.604 -0.122 1.00 0.00 C ATOM 395 CD2 PHE A 29 5.952 6.420 -0.196 1.00 0.00 C ATOM 396 CE1 PHE A 29 3.920 8.163 -0.866 1.00 0.00 C ATOM 397 CE2 PHE A 29 4.878 5.973 -0.942 1.00 0.00 C ATOM 398 CZ PHE A 29 3.860 6.845 -1.276 1.00 0.00 C ATOM 0 H PHE A 29 6.986 10.457 -0.391 1.00 0.00 H new ATOM 0 HA PHE A 29 9.219 8.876 0.734 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.636 7.377 1.556 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.838 8.919 1.789 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.039 9.635 0.196 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.743 5.733 0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.126 8.847 -1.127 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.835 4.943 -1.264 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.019 6.497 -1.857 1.00 0.00 H new ATOM 408 N PHE A 30 9.067 6.999 -1.073 1.00 0.00 N ATOM 409 CA PHE A 30 9.300 6.195 -2.268 1.00 0.00 C ATOM 410 C PHE A 30 8.954 4.731 -2.015 1.00 0.00 C ATOM 411 O PHE A 30 8.877 4.289 -0.868 1.00 0.00 O ATOM 412 CB PHE A 30 10.759 6.317 -2.714 1.00 0.00 C ATOM 413 CG PHE A 30 11.146 7.708 -3.125 1.00 0.00 C ATOM 414 CD1 PHE A 30 10.512 8.333 -4.187 1.00 0.00 C ATOM 415 CD2 PHE A 30 12.145 8.392 -2.450 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.866 9.614 -4.568 1.00 0.00 C ATOM 417 CE2 PHE A 30 12.502 9.673 -2.826 1.00 0.00 C ATOM 418 CZ PHE A 30 11.863 10.284 -3.887 1.00 0.00 C ATOM 0 H PHE A 30 9.415 6.582 -0.210 1.00 0.00 H new ATOM 0 HA PHE A 30 8.653 6.571 -3.060 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.408 5.994 -1.900 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.933 5.638 -3.549 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.732 7.813 -4.723 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.650 7.919 -1.621 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.363 10.090 -5.397 1.00 0.00 H new ATOM 0 HE2 PHE A 30 13.280 10.196 -2.290 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.143 11.284 -4.184 1.00 0.00 H new ATOM 428 N LEU A 31 8.745 3.984 -3.093 1.00 0.00 N ATOM 429 CA LEU A 31 8.406 2.569 -2.990 1.00 0.00 C ATOM 430 C LEU A 31 9.525 1.698 -3.552 1.00 0.00 C ATOM 431 O LEU A 31 9.856 1.784 -4.735 1.00 0.00 O ATOM 432 CB LEU A 31 7.099 2.282 -3.731 1.00 0.00 C ATOM 433 CG LEU A 31 5.876 3.071 -3.265 1.00 0.00 C ATOM 434 CD1 LEU A 31 4.897 3.266 -4.413 1.00 0.00 C ATOM 435 CD2 LEU A 31 5.198 2.367 -2.099 1.00 0.00 C ATOM 0 H LEU A 31 8.804 4.335 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 31 8.279 2.327 -1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.254 2.483 -4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.878 1.219 -3.638 1.00 0.00 H new ATOM 0 HG LEU A 31 6.209 4.052 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.033 3.830 -4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.385 3.814 -5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.571 2.294 -4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.329 2.944 -1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.879 1.372 -2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.899 2.280 -1.269 1.00 0.00 H new ATOM 447 N ARG A 32 10.102 0.860 -2.698 1.00 0.00 N ATOM 448 CA ARG A 32 11.183 -0.027 -3.109 1.00 0.00 C ATOM 449 C ARG A 32 10.661 -1.437 -3.369 1.00 0.00 C ATOM 450 O ARG A 32 9.549 -1.781 -2.967 1.00 0.00 O ATOM 451 CB ARG A 32 12.276 -0.065 -2.040 1.00 0.00 C ATOM 452 CG ARG A 32 13.358 0.984 -2.236 1.00 0.00 C ATOM 453 CD ARG A 32 14.699 0.509 -1.699 1.00 0.00 C ATOM 454 NE ARG A 32 15.752 1.499 -1.903 1.00 0.00 N ATOM 455 CZ ARG A 32 17.049 1.211 -1.871 1.00 0.00 C ATOM 456 NH1 ARG A 32 17.449 -0.033 -1.644 1.00 0.00 N ATOM 457 NH2 ARG A 32 17.948 2.167 -2.066 1.00 0.00 N ATOM 0 H ARG A 32 9.839 0.777 -1.716 1.00 0.00 H new ATOM 0 HA ARG A 32 11.605 0.362 -4.036 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.819 0.076 -1.060 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.736 -1.053 -2.038 1.00 0.00 H new ATOM 0 HG2 ARG A 32 13.452 1.218 -3.297 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.068 1.906 -1.731 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.607 0.292 -0.635 1.00 0.00 H new ATOM 0 HD3 ARG A 32 14.977 -0.423 -2.192 1.00 0.00 H new ATOM 0 HE ARG A 32 15.477 2.465 -2.080 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.761 -0.771 -1.494 1.00 0.00 H new ATOM 0 HH12 ARG A 32 18.445 -0.252 -1.620 1.00 0.00 H new ATOM 0 HH21 ARG A 32 17.644 3.125 -2.241 1.00 0.00 H new ATOM 0 HH22 ARG A 32 18.943 1.944 -2.041 1.00 0.00 H new ATOM 471 N ILE A 33 11.469 -2.248 -4.043 1.00 0.00 N ATOM 472 CA ILE A 33 11.089 -3.619 -4.355 1.00 0.00 C ATOM 473 C ILE A 33 12.067 -4.615 -3.741 1.00 0.00 C ATOM 474 O ILE A 33 13.282 -4.446 -3.838 1.00 0.00 O ATOM 475 CB ILE A 33 11.023 -3.853 -5.876 1.00 0.00 C ATOM 476 CG1 ILE A 33 12.213 -3.186 -6.569 1.00 0.00 C ATOM 477 CG2 ILE A 33 9.712 -3.324 -6.437 1.00 0.00 C ATOM 478 CD1 ILE A 33 12.544 -3.789 -7.916 1.00 0.00 C ATOM 0 H ILE A 33 12.392 -1.978 -4.384 1.00 0.00 H new ATOM 0 HA ILE A 33 10.099 -3.776 -3.928 1.00 0.00 H new ATOM 0 HB ILE A 33 11.070 -4.925 -6.066 1.00 0.00 H new ATOM 0 HG12 ILE A 33 12.000 -2.125 -6.698 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.087 -3.259 -5.922 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.681 -3.497 -7.513 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.878 -3.841 -5.962 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.637 -2.255 -6.239 1.00 0.00 H new ATOM 0 HD11 ILE A 33 13.397 -3.267 -8.349 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.789 -4.844 -7.792 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.685 -3.692 -8.579 1.00 0.00 H new ATOM 490 N GLU A 34 11.528 -5.653 -3.110 1.00 0.00 N ATOM 491 CA GLU A 34 12.354 -6.677 -2.480 1.00 0.00 C ATOM 492 C GLU A 34 12.108 -8.042 -3.116 1.00 0.00 C ATOM 493 O GLU A 34 11.059 -8.281 -3.715 1.00 0.00 O ATOM 494 CB GLU A 34 12.069 -6.742 -0.978 1.00 0.00 C ATOM 495 CG GLU A 34 13.129 -7.492 -0.189 1.00 0.00 C ATOM 496 CD GLU A 34 14.530 -6.983 -0.465 1.00 0.00 C ATOM 497 OE1 GLU A 34 15.128 -7.410 -1.475 1.00 0.00 O ATOM 498 OE2 GLU A 34 15.029 -6.158 0.329 1.00 0.00 O ATOM 0 H GLU A 34 10.524 -5.807 -3.021 1.00 0.00 H new ATOM 0 HA GLU A 34 13.399 -6.408 -2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.988 -5.727 -0.588 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.103 -7.222 -0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.916 -7.401 0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 34 13.077 -8.553 -0.435 1.00 0.00 H new ATOM 505 N LYS A 35 13.082 -8.935 -2.982 1.00 0.00 N ATOM 506 CA LYS A 35 12.973 -10.277 -3.542 1.00 0.00 C ATOM 507 C LYS A 35 12.218 -11.202 -2.593 1.00 0.00 C ATOM 508 O LYS A 35 12.275 -11.037 -1.374 1.00 0.00 O ATOM 509 CB LYS A 35 14.365 -10.847 -3.828 1.00 0.00 C ATOM 510 CG LYS A 35 15.208 -11.047 -2.580 1.00 0.00 C ATOM 511 CD LYS A 35 16.192 -12.193 -2.751 1.00 0.00 C ATOM 512 CE LYS A 35 16.811 -12.598 -1.422 1.00 0.00 C ATOM 513 NZ LYS A 35 15.819 -13.251 -0.523 1.00 0.00 N ATOM 0 H LYS A 35 13.957 -8.754 -2.490 1.00 0.00 H new ATOM 0 HA LYS A 35 12.416 -10.210 -4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.259 -11.803 -4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.891 -10.176 -4.508 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.752 -10.129 -2.356 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.558 -11.248 -1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.682 -13.049 -3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.979 -11.898 -3.445 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.642 -13.280 -1.602 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.222 -11.717 -0.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.318 -13.749 0.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.192 -12.529 -0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.253 -13.933 -1.068 1.00 0.00 H new ATOM 527 N ASP A 36 11.514 -12.176 -3.159 1.00 0.00 N ATOM 528 CA ASP A 36 10.750 -13.130 -2.363 1.00 0.00 C ATOM 529 C ASP A 36 9.859 -12.407 -1.358 1.00 0.00 C ATOM 530 O ASP A 36 9.761 -12.809 -0.197 1.00 0.00 O ATOM 531 CB ASP A 36 11.693 -14.087 -1.632 1.00 0.00 C ATOM 532 CG ASP A 36 11.068 -15.448 -1.398 1.00 0.00 C ATOM 533 OD1 ASP A 36 10.489 -16.007 -2.352 1.00 0.00 O ATOM 534 OD2 ASP A 36 11.156 -15.954 -0.259 1.00 0.00 O ATOM 0 H ASP A 36 11.456 -12.326 -4.166 1.00 0.00 H new ATOM 0 HA ASP A 36 10.115 -13.704 -3.038 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.608 -14.205 -2.213 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.978 -13.651 -0.674 1.00 0.00 H new ATOM 539 N THR A 37 9.212 -11.338 -1.810 1.00 0.00 N ATOM 540 CA THR A 37 8.330 -10.558 -0.950 1.00 0.00 C ATOM 541 C THR A 37 7.066 -10.141 -1.692 1.00 0.00 C ATOM 542 O THR A 37 7.094 -9.897 -2.898 1.00 0.00 O ATOM 543 CB THR A 37 9.038 -9.298 -0.416 1.00 0.00 C ATOM 544 OG1 THR A 37 10.343 -9.635 0.066 1.00 0.00 O ATOM 545 CG2 THR A 37 8.229 -8.656 0.701 1.00 0.00 C ATOM 0 H THR A 37 9.282 -10.992 -2.767 1.00 0.00 H new ATOM 0 HA THR A 37 8.060 -11.198 -0.110 1.00 0.00 H new ATOM 0 HB THR A 37 9.128 -8.584 -1.235 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.884 -9.984 -0.673 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.748 -7.768 1.062 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.247 -8.373 0.322 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.112 -9.366 1.520 1.00 0.00 H new ATOM 553 N ASP A 38 5.957 -10.061 -0.964 1.00 0.00 N ATOM 554 CA ASP A 38 4.682 -9.672 -1.553 1.00 0.00 C ATOM 555 C ASP A 38 4.308 -8.250 -1.148 1.00 0.00 C ATOM 556 O ASP A 38 4.488 -7.853 0.002 1.00 0.00 O ATOM 557 CB ASP A 38 3.581 -10.643 -1.126 1.00 0.00 C ATOM 558 CG ASP A 38 2.357 -10.560 -2.017 1.00 0.00 C ATOM 559 OD1 ASP A 38 2.521 -10.583 -3.255 1.00 0.00 O ATOM 560 OD2 ASP A 38 1.235 -10.472 -1.477 1.00 0.00 O ATOM 0 H ASP A 38 5.916 -10.261 0.035 1.00 0.00 H new ATOM 0 HA ASP A 38 4.785 -9.707 -2.638 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.971 -11.661 -1.144 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.292 -10.430 -0.097 1.00 0.00 H new ATOM 565 N GLY A 39 3.786 -7.485 -2.103 1.00 0.00 N ATOM 566 CA GLY A 39 3.396 -6.115 -1.827 1.00 0.00 C ATOM 567 C GLY A 39 4.554 -5.145 -1.955 1.00 0.00 C ATOM 568 O GLY A 39 5.717 -5.545 -1.894 1.00 0.00 O ATOM 0 H GLY A 39 3.626 -7.790 -3.063 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.602 -5.821 -2.514 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.984 -6.054 -0.820 1.00 0.00 H new ATOM 572 N HIS A 40 4.236 -3.867 -2.136 1.00 0.00 N ATOM 573 CA HIS A 40 5.259 -2.837 -2.274 1.00 0.00 C ATOM 574 C HIS A 40 5.696 -2.318 -0.908 1.00 0.00 C ATOM 575 O HIS A 40 4.865 -1.946 -0.079 1.00 0.00 O ATOM 576 CB HIS A 40 4.737 -1.682 -3.129 1.00 0.00 C ATOM 577 CG HIS A 40 4.796 -1.952 -4.601 1.00 0.00 C ATOM 578 ND1 HIS A 40 5.884 -1.625 -5.383 1.00 0.00 N ATOM 579 CD2 HIS A 40 3.894 -2.523 -5.433 1.00 0.00 C ATOM 580 CE1 HIS A 40 5.648 -1.982 -6.633 1.00 0.00 C ATOM 581 NE2 HIS A 40 4.447 -2.529 -6.690 1.00 0.00 N ATOM 0 H HIS A 40 3.278 -3.520 -2.190 1.00 0.00 H new ATOM 0 HA HIS A 40 6.124 -3.282 -2.767 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.705 -1.470 -2.848 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.318 -0.786 -2.909 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.921 -2.903 -5.159 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.322 -1.849 -7.466 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.002 -2.896 -7.531 1.00 0.00 H new ATOM 590 N LEU A 41 7.005 -2.296 -0.680 1.00 0.00 N ATOM 591 CA LEU A 41 7.553 -1.822 0.587 1.00 0.00 C ATOM 592 C LEU A 41 8.018 -0.375 0.472 1.00 0.00 C ATOM 593 O LEU A 41 8.722 -0.012 -0.472 1.00 0.00 O ATOM 594 CB LEU A 41 8.718 -2.712 1.025 1.00 0.00 C ATOM 595 CG LEU A 41 8.347 -4.117 1.501 1.00 0.00 C ATOM 596 CD1 LEU A 41 8.362 -5.096 0.338 1.00 0.00 C ATOM 597 CD2 LEU A 41 9.297 -4.575 2.599 1.00 0.00 C ATOM 0 H LEU A 41 7.706 -2.601 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 41 6.764 -1.871 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.412 -2.805 0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.253 -2.207 1.829 1.00 0.00 H new ATOM 0 HG LEU A 41 7.337 -4.087 1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.096 -6.090 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.642 -4.777 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.359 -5.124 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.019 -5.577 2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.317 -4.589 2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.236 -3.888 3.443 1.00 0.00 H new ATOM 609 N ILE A 42 7.623 0.447 1.438 1.00 0.00 N ATOM 610 CA ILE A 42 8.003 1.855 1.446 1.00 0.00 C ATOM 611 C ILE A 42 9.385 2.047 2.061 1.00 0.00 C ATOM 612 O ILE A 42 9.688 1.494 3.118 1.00 0.00 O ATOM 613 CB ILE A 42 6.984 2.708 2.224 1.00 0.00 C ATOM 614 CG1 ILE A 42 5.663 2.790 1.456 1.00 0.00 C ATOM 615 CG2 ILE A 42 7.543 4.101 2.476 1.00 0.00 C ATOM 616 CD1 ILE A 42 4.452 2.931 2.351 1.00 0.00 C ATOM 0 H ILE A 42 7.040 0.163 2.225 1.00 0.00 H new ATOM 0 HA ILE A 42 8.021 2.184 0.407 1.00 0.00 H new ATOM 0 HB ILE A 42 6.794 2.233 3.187 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.701 3.639 0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.551 1.894 0.845 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.812 4.692 3.027 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.461 4.025 3.059 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.757 4.585 1.523 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.551 2.983 1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.389 2.070 3.016 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.541 3.842 2.943 1.00 0.00 H new ATOM 628 N ARG A 43 10.219 2.837 1.392 1.00 0.00 N ATOM 629 CA ARG A 43 11.569 3.103 1.873 1.00 0.00 C ATOM 630 C ARG A 43 11.990 4.534 1.547 1.00 0.00 C ATOM 631 O ARG A 43 11.552 5.109 0.551 1.00 0.00 O ATOM 632 CB ARG A 43 12.559 2.116 1.252 1.00 0.00 C ATOM 633 CG ARG A 43 13.980 2.272 1.768 1.00 0.00 C ATOM 634 CD ARG A 43 14.228 1.402 2.990 1.00 0.00 C ATOM 635 NE ARG A 43 15.621 0.971 3.082 1.00 0.00 N ATOM 636 CZ ARG A 43 16.209 0.624 4.221 1.00 0.00 C ATOM 637 NH1 ARG A 43 15.529 0.657 5.359 1.00 0.00 N ATOM 638 NH2 ARG A 43 17.480 0.243 4.224 1.00 0.00 N ATOM 0 H ARG A 43 9.983 3.303 0.516 1.00 0.00 H new ATOM 0 HA ARG A 43 11.573 2.978 2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.219 1.100 1.451 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.558 2.246 0.170 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.685 2.005 0.981 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.164 3.316 2.020 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.960 1.956 3.890 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.580 0.527 2.949 1.00 0.00 H new ATOM 0 HE ARG A 43 16.172 0.935 2.224 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.552 0.949 5.361 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.983 0.390 6.232 1.00 0.00 H new ATOM 0 HH21 ARG A 43 18.007 0.216 3.351 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.931 -0.023 5.100 1.00 0.00 H new ATOM 652 N VAL A 44 12.842 5.102 2.395 1.00 0.00 N ATOM 653 CA VAL A 44 13.322 6.464 2.197 1.00 0.00 C ATOM 654 C VAL A 44 12.227 7.482 2.498 1.00 0.00 C ATOM 655 O VAL A 44 11.925 8.345 1.673 1.00 0.00 O ATOM 656 CB VAL A 44 13.826 6.679 0.758 1.00 0.00 C ATOM 657 CG1 VAL A 44 14.607 7.980 0.653 1.00 0.00 C ATOM 658 CG2 VAL A 44 14.677 5.500 0.311 1.00 0.00 C ATOM 0 H VAL A 44 13.214 4.640 3.225 1.00 0.00 H new ATOM 0 HA VAL A 44 14.151 6.611 2.889 1.00 0.00 H new ATOM 0 HB VAL A 44 12.963 6.748 0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.955 8.114 -0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.963 8.815 0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.464 7.945 1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 44 15.025 5.668 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.535 5.398 0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 44 14.081 4.588 0.345 1.00 0.00 H new ATOM 668 N ILE A 45 11.637 7.375 3.684 1.00 0.00 N ATOM 669 CA ILE A 45 10.577 8.287 4.093 1.00 0.00 C ATOM 670 C ILE A 45 11.152 9.595 4.626 1.00 0.00 C ATOM 671 O ILE A 45 11.269 9.786 5.836 1.00 0.00 O ATOM 672 CB ILE A 45 9.679 7.657 5.174 1.00 0.00 C ATOM 673 CG1 ILE A 45 9.027 6.378 4.645 1.00 0.00 C ATOM 674 CG2 ILE A 45 8.619 8.650 5.627 1.00 0.00 C ATOM 675 CD1 ILE A 45 8.239 5.624 5.692 1.00 0.00 C ATOM 0 H ILE A 45 11.875 6.666 4.378 1.00 0.00 H new ATOM 0 HA ILE A 45 9.977 8.491 3.206 1.00 0.00 H new ATOM 0 HB ILE A 45 10.298 7.398 6.033 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.365 6.633 3.817 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.801 5.724 4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 45 7.992 8.190 6.391 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.103 9.536 6.039 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.002 8.937 4.776 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.805 4.729 5.246 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.901 5.338 6.509 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.442 6.261 6.076 1.00 0.00 H new ATOM 687 N GLU A 46 11.509 10.494 3.713 1.00 0.00 N ATOM 688 CA GLU A 46 12.071 11.785 4.092 1.00 0.00 C ATOM 689 C GLU A 46 11.403 12.320 5.355 1.00 0.00 C ATOM 690 O GLU A 46 10.234 12.039 5.617 1.00 0.00 O ATOM 691 CB GLU A 46 11.909 12.791 2.951 1.00 0.00 C ATOM 692 CG GLU A 46 12.669 14.088 3.171 1.00 0.00 C ATOM 693 CD GLU A 46 12.447 15.091 2.055 1.00 0.00 C ATOM 694 OE1 GLU A 46 13.050 14.919 0.975 1.00 0.00 O ATOM 695 OE2 GLU A 46 11.671 16.047 2.261 1.00 0.00 O ATOM 0 H GLU A 46 11.419 10.352 2.707 1.00 0.00 H new ATOM 0 HA GLU A 46 13.133 11.645 4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.250 12.333 2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.850 13.017 2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.360 14.530 4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.734 13.871 3.253 1.00 0.00 H new ATOM 702 N GLU A 47 12.155 13.091 6.134 1.00 0.00 N ATOM 703 CA GLU A 47 11.636 13.664 7.370 1.00 0.00 C ATOM 704 C GLU A 47 10.734 14.860 7.079 1.00 0.00 C ATOM 705 O GLU A 47 10.793 15.448 6.000 1.00 0.00 O ATOM 706 CB GLU A 47 12.787 14.090 8.284 1.00 0.00 C ATOM 707 CG GLU A 47 12.411 14.139 9.755 1.00 0.00 C ATOM 708 CD GLU A 47 11.884 15.497 10.178 1.00 0.00 C ATOM 709 OE1 GLU A 47 12.558 16.509 9.893 1.00 0.00 O ATOM 710 OE2 GLU A 47 10.798 15.547 10.793 1.00 0.00 O ATOM 0 H GLU A 47 13.125 13.333 5.931 1.00 0.00 H new ATOM 0 HA GLU A 47 11.045 12.899 7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.619 13.398 8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.140 15.074 7.975 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.655 13.381 9.958 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.284 13.888 10.358 1.00 0.00 H new ATOM 717 N GLY A 48 9.898 15.214 8.051 1.00 0.00 N ATOM 718 CA GLY A 48 8.995 16.337 7.880 1.00 0.00 C ATOM 719 C GLY A 48 8.264 16.297 6.552 1.00 0.00 C ATOM 720 O GLY A 48 7.997 17.337 5.951 1.00 0.00 O ATOM 0 H GLY A 48 9.830 14.743 8.953 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.267 16.341 8.692 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.559 17.267 7.953 1.00 0.00 H new ATOM 724 N SER A 49 7.942 15.092 6.092 1.00 0.00 N ATOM 725 CA SER A 49 7.243 14.920 4.824 1.00 0.00 C ATOM 726 C SER A 49 5.772 14.589 5.055 1.00 0.00 C ATOM 727 O SER A 49 5.384 14.063 6.099 1.00 0.00 O ATOM 728 CB SER A 49 7.903 13.813 4.000 1.00 0.00 C ATOM 729 OG SER A 49 7.321 12.552 4.282 1.00 0.00 O ATOM 0 H SER A 49 8.154 14.221 6.578 1.00 0.00 H new ATOM 0 HA SER A 49 7.304 15.859 4.274 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.800 14.035 2.938 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.971 13.781 4.217 1.00 0.00 H new ATOM 0 HG SER A 49 7.759 11.861 3.742 1.00 0.00 H new ATOM 735 N PRO A 50 4.931 14.905 4.059 1.00 0.00 N ATOM 736 CA PRO A 50 3.489 14.651 4.128 1.00 0.00 C ATOM 737 C PRO A 50 3.160 13.163 4.066 1.00 0.00 C ATOM 738 O PRO A 50 2.040 12.753 4.371 1.00 0.00 O ATOM 739 CB PRO A 50 2.942 15.372 2.894 1.00 0.00 C ATOM 740 CG PRO A 50 4.087 15.415 1.942 1.00 0.00 C ATOM 741 CD PRO A 50 5.324 15.535 2.787 1.00 0.00 C ATOM 0 HA PRO A 50 3.058 14.999 5.067 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.093 14.838 2.468 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.596 16.375 3.143 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.119 14.514 1.329 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.996 16.261 1.261 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.173 15.025 2.331 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.615 16.576 2.927 1.00 0.00 H new ATOM 749 N ALA A 51 4.142 12.360 3.670 1.00 0.00 N ATOM 750 CA ALA A 51 3.956 10.918 3.571 1.00 0.00 C ATOM 751 C ALA A 51 3.992 10.264 4.947 1.00 0.00 C ATOM 752 O ALA A 51 3.150 9.426 5.268 1.00 0.00 O ATOM 753 CB ALA A 51 5.018 10.310 2.667 1.00 0.00 C ATOM 0 H ALA A 51 5.074 12.684 3.413 1.00 0.00 H new ATOM 0 HA ALA A 51 2.974 10.732 3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.867 9.232 2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.942 10.748 1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.006 10.514 3.079 1.00 0.00 H new ATOM 759 N GLU A 52 4.974 10.651 5.756 1.00 0.00 N ATOM 760 CA GLU A 52 5.120 10.100 7.098 1.00 0.00 C ATOM 761 C GLU A 52 4.077 10.689 8.044 1.00 0.00 C ATOM 762 O GLU A 52 3.472 9.973 8.843 1.00 0.00 O ATOM 763 CB GLU A 52 6.526 10.374 7.636 1.00 0.00 C ATOM 764 CG GLU A 52 6.898 9.514 8.832 1.00 0.00 C ATOM 765 CD GLU A 52 7.878 10.202 9.762 1.00 0.00 C ATOM 766 OE1 GLU A 52 7.430 11.007 10.606 1.00 0.00 O ATOM 767 OE2 GLU A 52 9.092 9.936 9.648 1.00 0.00 O ATOM 0 H GLU A 52 5.680 11.344 5.505 1.00 0.00 H new ATOM 0 HA GLU A 52 4.965 9.023 7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.250 10.206 6.839 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.600 11.424 7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.995 9.259 9.386 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.332 8.578 8.481 1.00 0.00 H new ATOM 774 N LYS A 53 3.873 11.998 7.949 1.00 0.00 N ATOM 775 CA LYS A 53 2.905 12.686 8.795 1.00 0.00 C ATOM 776 C LYS A 53 1.609 11.887 8.898 1.00 0.00 C ATOM 777 O LYS A 53 0.854 12.033 9.859 1.00 0.00 O ATOM 778 CB LYS A 53 2.613 14.082 8.241 1.00 0.00 C ATOM 779 CG LYS A 53 3.536 15.158 8.786 1.00 0.00 C ATOM 780 CD LYS A 53 2.859 16.519 8.799 1.00 0.00 C ATOM 781 CE LYS A 53 2.990 17.219 7.455 1.00 0.00 C ATOM 782 NZ LYS A 53 4.387 17.665 7.195 1.00 0.00 N ATOM 0 H LYS A 53 4.366 12.605 7.294 1.00 0.00 H new ATOM 0 HA LYS A 53 3.334 12.781 9.793 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.699 14.058 7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.582 14.348 8.474 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.846 14.895 9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.440 15.206 8.178 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.804 16.400 9.047 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.302 17.139 9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.671 16.544 6.661 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.323 18.081 7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.386 18.397 6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.795 18.055 8.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.957 16.855 6.878 1.00 0.00 H new ATOM 796 N ALA A 54 1.360 11.042 7.903 1.00 0.00 N ATOM 797 CA ALA A 54 0.157 10.218 7.885 1.00 0.00 C ATOM 798 C ALA A 54 0.413 8.860 8.530 1.00 0.00 C ATOM 799 O ALA A 54 -0.161 7.851 8.123 1.00 0.00 O ATOM 800 CB ALA A 54 -0.340 10.042 6.458 1.00 0.00 C ATOM 0 H ALA A 54 1.974 10.910 7.100 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.612 10.727 8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.238 9.425 6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.570 11.018 6.030 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.432 9.557 5.861 1.00 0.00 H new ATOM 806 N GLY A 55 1.279 8.842 9.539 1.00 0.00 N ATOM 807 CA GLY A 55 1.595 7.602 10.223 1.00 0.00 C ATOM 808 C GLY A 55 2.241 6.582 9.306 1.00 0.00 C ATOM 809 O GLY A 55 2.167 5.378 9.554 1.00 0.00 O ATOM 0 H GLY A 55 1.767 9.664 9.895 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.264 7.811 11.057 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.682 7.180 10.645 1.00 0.00 H new ATOM 813 N LEU A 56 2.875 7.063 8.242 1.00 0.00 N ATOM 814 CA LEU A 56 3.535 6.185 7.283 1.00 0.00 C ATOM 815 C LEU A 56 4.992 5.953 7.670 1.00 0.00 C ATOM 816 O LEU A 56 5.796 6.886 7.691 1.00 0.00 O ATOM 817 CB LEU A 56 3.458 6.783 5.877 1.00 0.00 C ATOM 818 CG LEU A 56 3.698 5.811 4.721 1.00 0.00 C ATOM 819 CD1 LEU A 56 2.540 4.834 4.595 1.00 0.00 C ATOM 820 CD2 LEU A 56 3.900 6.572 3.418 1.00 0.00 C ATOM 0 H LEU A 56 2.946 8.056 8.022 1.00 0.00 H new ATOM 0 HA LEU A 56 3.019 5.225 7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.474 7.233 5.749 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.189 7.589 5.806 1.00 0.00 H new ATOM 0 HG LEU A 56 4.604 5.243 4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.729 4.151 3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.441 4.265 5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.618 5.385 4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.069 5.865 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.012 7.166 3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.763 7.231 3.511 1.00 0.00 H new ATOM 832 N LEU A 57 5.326 4.704 7.974 1.00 0.00 N ATOM 833 CA LEU A 57 6.688 4.348 8.359 1.00 0.00 C ATOM 834 C LEU A 57 7.340 3.465 7.299 1.00 0.00 C ATOM 835 O LEU A 57 6.673 2.981 6.384 1.00 0.00 O ATOM 836 CB LEU A 57 6.686 3.627 9.708 1.00 0.00 C ATOM 837 CG LEU A 57 5.424 2.831 10.042 1.00 0.00 C ATOM 838 CD1 LEU A 57 5.702 1.831 11.154 1.00 0.00 C ATOM 839 CD2 LEU A 57 4.291 3.768 10.436 1.00 0.00 C ATOM 0 H LEU A 57 4.673 3.921 7.962 1.00 0.00 H new ATOM 0 HA LEU A 57 7.267 5.268 8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.538 2.947 9.735 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.843 4.367 10.493 1.00 0.00 H new ATOM 0 HG LEU A 57 5.120 2.279 9.153 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.792 1.274 11.378 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.482 1.139 10.835 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.031 2.362 12.047 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.401 3.184 10.670 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.586 4.347 11.311 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.074 4.444 9.609 1.00 0.00 H new ATOM 851 N ASP A 58 8.645 3.258 7.431 1.00 0.00 N ATOM 852 CA ASP A 58 9.388 2.431 6.487 1.00 0.00 C ATOM 853 C ASP A 58 9.046 0.956 6.672 1.00 0.00 C ATOM 854 O ASP A 58 8.901 0.478 7.796 1.00 0.00 O ATOM 855 CB ASP A 58 10.892 2.645 6.661 1.00 0.00 C ATOM 856 CG ASP A 58 11.309 2.662 8.119 1.00 0.00 C ATOM 857 OD1 ASP A 58 11.077 3.688 8.790 1.00 0.00 O ATOM 858 OD2 ASP A 58 11.869 1.648 8.588 1.00 0.00 O ATOM 0 H ASP A 58 9.211 3.652 8.183 1.00 0.00 H new ATOM 0 HA ASP A 58 9.102 2.728 5.478 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.431 1.853 6.141 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.179 3.587 6.193 1.00 0.00 H new ATOM 863 N GLY A 59 8.918 0.239 5.559 1.00 0.00 N ATOM 864 CA GLY A 59 8.593 -1.174 5.621 1.00 0.00 C ATOM 865 C GLY A 59 7.129 -1.445 5.338 1.00 0.00 C ATOM 866 O GLY A 59 6.780 -2.482 4.773 1.00 0.00 O ATOM 0 H GLY A 59 9.034 0.611 4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.206 -1.716 4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.846 -1.559 6.609 1.00 0.00 H new ATOM 870 N ASP A 60 6.269 -0.513 5.734 1.00 0.00 N ATOM 871 CA ASP A 60 4.834 -0.656 5.521 1.00 0.00 C ATOM 872 C ASP A 60 4.539 -1.114 4.096 1.00 0.00 C ATOM 873 O ASP A 60 5.003 -0.507 3.130 1.00 0.00 O ATOM 874 CB ASP A 60 4.120 0.667 5.803 1.00 0.00 C ATOM 875 CG ASP A 60 3.824 0.863 7.277 1.00 0.00 C ATOM 876 OD1 ASP A 60 4.435 0.154 8.103 1.00 0.00 O ATOM 877 OD2 ASP A 60 2.982 1.725 7.604 1.00 0.00 O ATOM 0 H ASP A 60 6.541 0.350 6.205 1.00 0.00 H new ATOM 0 HA ASP A 60 4.463 -1.414 6.211 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.736 1.492 5.446 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.187 0.700 5.241 1.00 0.00 H new ATOM 882 N ARG A 61 3.766 -2.188 3.973 1.00 0.00 N ATOM 883 CA ARG A 61 3.412 -2.729 2.666 1.00 0.00 C ATOM 884 C ARG A 61 2.039 -2.229 2.225 1.00 0.00 C ATOM 885 O ARG A 61 1.051 -2.381 2.944 1.00 0.00 O ATOM 886 CB ARG A 61 3.422 -4.258 2.703 1.00 0.00 C ATOM 887 CG ARG A 61 4.809 -4.861 2.561 1.00 0.00 C ATOM 888 CD ARG A 61 5.569 -4.828 3.878 1.00 0.00 C ATOM 889 NE ARG A 61 5.382 -6.055 4.649 1.00 0.00 N ATOM 890 CZ ARG A 61 6.093 -7.160 4.454 1.00 0.00 C ATOM 891 NH1 ARG A 61 7.033 -7.192 3.520 1.00 0.00 N ATOM 892 NH2 ARG A 61 5.865 -8.236 5.196 1.00 0.00 N ATOM 0 H ARG A 61 3.373 -2.701 4.762 1.00 0.00 H new ATOM 0 HA ARG A 61 4.154 -2.385 1.945 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.984 -4.593 3.643 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.787 -4.637 1.902 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.725 -5.891 2.214 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.369 -4.314 1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.631 -4.683 3.680 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.235 -3.975 4.468 1.00 0.00 H new ATOM 0 HE ARG A 61 4.667 -6.064 5.376 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.212 -6.366 2.948 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.577 -8.042 3.373 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.143 -8.215 5.917 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.411 -9.084 5.046 1.00 0.00 H new ATOM 906 N VAL A 62 1.985 -1.630 1.040 1.00 0.00 N ATOM 907 CA VAL A 62 0.734 -1.108 0.503 1.00 0.00 C ATOM 908 C VAL A 62 -0.028 -2.186 -0.260 1.00 0.00 C ATOM 909 O VAL A 62 0.449 -2.702 -1.271 1.00 0.00 O ATOM 910 CB VAL A 62 0.982 0.089 -0.434 1.00 0.00 C ATOM 911 CG1 VAL A 62 2.190 -0.167 -1.322 1.00 0.00 C ATOM 912 CG2 VAL A 62 -0.255 0.375 -1.272 1.00 0.00 C ATOM 0 H VAL A 62 2.793 -1.494 0.433 1.00 0.00 H new ATOM 0 HA VAL A 62 0.138 -0.777 1.353 1.00 0.00 H new ATOM 0 HB VAL A 62 1.191 0.968 0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.349 0.690 -1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.073 -0.317 -0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.015 -1.057 -1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.062 1.224 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.497 -0.501 -1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.093 0.607 -0.615 1.00 0.00 H new ATOM 922 N LEU A 63 -1.216 -2.521 0.231 1.00 0.00 N ATOM 923 CA LEU A 63 -2.048 -3.538 -0.404 1.00 0.00 C ATOM 924 C LEU A 63 -2.793 -2.961 -1.603 1.00 0.00 C ATOM 925 O LEU A 63 -2.826 -3.565 -2.675 1.00 0.00 O ATOM 926 CB LEU A 63 -3.045 -4.112 0.604 1.00 0.00 C ATOM 927 CG LEU A 63 -2.447 -4.681 1.891 1.00 0.00 C ATOM 928 CD1 LEU A 63 -3.482 -4.682 3.005 1.00 0.00 C ATOM 929 CD2 LEU A 63 -1.913 -6.086 1.655 1.00 0.00 C ATOM 0 H LEU A 63 -1.625 -2.103 1.067 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.396 -4.338 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.752 -3.327 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.615 -4.901 0.112 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.616 -4.045 2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.039 -5.090 3.913 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.817 -3.662 3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.334 -5.295 2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.491 -6.475 2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.726 -6.734 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.139 -6.057 0.888 1.00 0.00 H new ATOM 941 N ARG A 64 -3.389 -1.788 -1.414 1.00 0.00 N ATOM 942 CA ARG A 64 -4.133 -1.129 -2.480 1.00 0.00 C ATOM 943 C ARG A 64 -3.664 0.312 -2.660 1.00 0.00 C ATOM 944 O ARG A 64 -3.320 0.988 -1.690 1.00 0.00 O ATOM 945 CB ARG A 64 -5.632 -1.155 -2.176 1.00 0.00 C ATOM 946 CG ARG A 64 -6.207 -2.557 -2.064 1.00 0.00 C ATOM 947 CD ARG A 64 -7.666 -2.598 -2.490 1.00 0.00 C ATOM 948 NE ARG A 64 -8.096 -3.948 -2.843 1.00 0.00 N ATOM 949 CZ ARG A 64 -9.219 -4.213 -3.501 1.00 0.00 C ATOM 950 NH1 ARG A 64 -10.020 -3.225 -3.876 1.00 0.00 N ATOM 951 NH2 ARG A 64 -9.542 -5.468 -3.786 1.00 0.00 N ATOM 0 H ARG A 64 -3.371 -1.275 -0.533 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.948 -1.671 -3.407 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.814 -0.621 -1.243 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.163 -0.616 -2.961 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.627 -3.240 -2.685 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.117 -2.907 -1.036 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.290 -2.219 -1.681 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.813 -1.936 -3.343 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.501 -4.730 -2.569 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.774 -2.259 -3.659 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.882 -3.431 -4.381 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.928 -6.230 -3.500 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.405 -5.670 -4.291 1.00 0.00 H new ATOM 965 N ILE A 65 -3.654 0.775 -3.905 1.00 0.00 N ATOM 966 CA ILE A 65 -3.228 2.135 -4.211 1.00 0.00 C ATOM 967 C ILE A 65 -4.347 2.923 -4.884 1.00 0.00 C ATOM 968 O ILE A 65 -4.853 2.528 -5.934 1.00 0.00 O ATOM 969 CB ILE A 65 -1.988 2.145 -5.124 1.00 0.00 C ATOM 970 CG1 ILE A 65 -1.200 3.443 -4.936 1.00 0.00 C ATOM 971 CG2 ILE A 65 -2.399 1.974 -6.578 1.00 0.00 C ATOM 972 CD1 ILE A 65 -2.051 4.688 -5.049 1.00 0.00 C ATOM 0 H ILE A 65 -3.936 0.228 -4.719 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.974 2.607 -3.262 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.345 1.309 -4.848 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.720 3.429 -3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.405 3.487 -5.681 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.511 1.983 -7.211 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.921 1.025 -6.699 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.060 2.791 -6.868 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.427 5.570 -4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.511 4.726 -6.037 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.830 4.667 -4.287 1.00 0.00 H new ATOM 984 N ASN A 66 -4.727 4.040 -4.273 1.00 0.00 N ATOM 985 CA ASN A 66 -5.785 4.885 -4.814 1.00 0.00 C ATOM 986 C ASN A 66 -7.033 4.064 -5.123 1.00 0.00 C ATOM 987 O ASN A 66 -7.811 4.407 -6.012 1.00 0.00 O ATOM 988 CB ASN A 66 -5.302 5.595 -6.081 1.00 0.00 C ATOM 989 CG ASN A 66 -6.103 6.847 -6.383 1.00 0.00 C ATOM 990 OD1 ASN A 66 -7.086 6.805 -7.124 1.00 0.00 O ATOM 991 ND2 ASN A 66 -5.686 7.969 -5.810 1.00 0.00 N ATOM 0 H ASN A 66 -4.318 4.381 -3.403 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.040 5.631 -4.061 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.250 5.858 -5.968 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.370 4.910 -6.926 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.185 8.843 -5.977 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.866 7.958 -5.203 1.00 0.00 H new ATOM 998 N GLY A 67 -7.217 2.976 -4.381 1.00 0.00 N ATOM 999 CA GLY A 67 -8.372 2.122 -4.590 1.00 0.00 C ATOM 1000 C GLY A 67 -8.146 1.098 -5.685 1.00 0.00 C ATOM 1001 O GLY A 67 -9.048 0.808 -6.471 1.00 0.00 O ATOM 0 H GLY A 67 -6.587 2.671 -3.639 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.612 1.607 -3.660 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.234 2.738 -4.845 1.00 0.00 H new ATOM 1005 N VAL A 68 -6.936 0.549 -5.738 1.00 0.00 N ATOM 1006 CA VAL A 68 -6.594 -0.448 -6.745 1.00 0.00 C ATOM 1007 C VAL A 68 -5.647 -1.500 -6.177 1.00 0.00 C ATOM 1008 O VAL A 68 -4.586 -1.174 -5.645 1.00 0.00 O ATOM 1009 CB VAL A 68 -5.940 0.202 -7.979 1.00 0.00 C ATOM 1010 CG1 VAL A 68 -5.596 -0.853 -9.020 1.00 0.00 C ATOM 1011 CG2 VAL A 68 -6.854 1.265 -8.568 1.00 0.00 C ATOM 0 H VAL A 68 -6.177 0.778 -5.096 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.526 -0.926 -7.046 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.014 0.684 -7.666 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.135 -0.375 -9.884 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.901 -1.575 -8.591 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.505 -1.367 -9.332 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.376 1.714 -9.439 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.798 0.809 -8.867 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.044 2.036 -7.821 1.00 0.00 H new ATOM 1021 N PHE A 69 -6.038 -2.765 -6.294 1.00 0.00 N ATOM 1022 CA PHE A 69 -5.225 -3.866 -5.792 1.00 0.00 C ATOM 1023 C PHE A 69 -3.909 -3.963 -6.557 1.00 0.00 C ATOM 1024 O PHE A 69 -3.883 -4.358 -7.723 1.00 0.00 O ATOM 1025 CB PHE A 69 -5.992 -5.186 -5.903 1.00 0.00 C ATOM 1026 CG PHE A 69 -5.405 -6.291 -5.073 1.00 0.00 C ATOM 1027 CD1 PHE A 69 -5.279 -6.153 -3.700 1.00 0.00 C ATOM 1028 CD2 PHE A 69 -4.978 -7.469 -5.665 1.00 0.00 C ATOM 1029 CE1 PHE A 69 -4.739 -7.169 -2.934 1.00 0.00 C ATOM 1030 CE2 PHE A 69 -4.437 -8.488 -4.905 1.00 0.00 C ATOM 1031 CZ PHE A 69 -4.318 -8.338 -3.537 1.00 0.00 C ATOM 0 H PHE A 69 -6.913 -3.053 -6.732 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.001 -3.671 -4.743 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.026 -5.023 -5.598 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.013 -5.498 -6.947 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.606 -5.241 -3.223 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.069 -7.592 -6.734 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.646 -7.049 -1.865 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -4.108 -9.400 -5.380 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.897 -9.133 -2.940 1.00 0.00 H new ATOM 1041 N VAL A 70 -2.816 -3.600 -5.893 1.00 0.00 N ATOM 1042 CA VAL A 70 -1.496 -3.647 -6.509 1.00 0.00 C ATOM 1043 C VAL A 70 -0.585 -4.631 -5.784 1.00 0.00 C ATOM 1044 O VAL A 70 0.564 -4.316 -5.473 1.00 0.00 O ATOM 1045 CB VAL A 70 -0.830 -2.258 -6.516 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -1.620 -1.291 -7.386 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -0.698 -1.724 -5.097 1.00 0.00 C ATOM 0 H VAL A 70 -2.819 -3.270 -4.928 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.639 -3.979 -7.537 1.00 0.00 H new ATOM 0 HB VAL A 70 0.170 -2.356 -6.938 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.134 -0.315 -7.379 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.659 -1.669 -8.408 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.633 -1.195 -6.996 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.226 -0.742 -5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.687 -1.640 -4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.087 -2.407 -4.507 1.00 0.00 H new ATOM 1057 N ASP A 71 -1.106 -5.823 -5.517 1.00 0.00 N ATOM 1058 CA ASP A 71 -0.339 -6.856 -4.829 1.00 0.00 C ATOM 1059 C ASP A 71 0.582 -7.587 -5.801 1.00 0.00 C ATOM 1060 O ASP A 71 1.694 -7.976 -5.445 1.00 0.00 O ATOM 1061 CB ASP A 71 -1.280 -7.853 -4.150 1.00 0.00 C ATOM 1062 CG ASP A 71 -0.591 -9.159 -3.809 1.00 0.00 C ATOM 1063 OD1 ASP A 71 0.568 -9.116 -3.345 1.00 0.00 O ATOM 1064 OD2 ASP A 71 -1.211 -10.225 -4.005 1.00 0.00 O ATOM 0 H ASP A 71 -2.056 -6.099 -5.766 1.00 0.00 H new ATOM 0 HA ASP A 71 0.275 -6.373 -4.069 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.680 -7.408 -3.239 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.127 -8.053 -4.806 1.00 0.00 H new ATOM 1069 N LYS A 72 0.111 -7.771 -7.029 1.00 0.00 N ATOM 1070 CA LYS A 72 0.891 -8.456 -8.054 1.00 0.00 C ATOM 1071 C LYS A 72 1.280 -7.495 -9.173 1.00 0.00 C ATOM 1072 O LYS A 72 2.237 -7.739 -9.907 1.00 0.00 O ATOM 1073 CB LYS A 72 0.097 -9.631 -8.628 1.00 0.00 C ATOM 1074 CG LYS A 72 0.212 -10.903 -7.806 1.00 0.00 C ATOM 1075 CD LYS A 72 1.594 -11.522 -7.927 1.00 0.00 C ATOM 1076 CE LYS A 72 1.718 -12.367 -9.186 1.00 0.00 C ATOM 1077 NZ LYS A 72 3.069 -12.979 -9.312 1.00 0.00 N ATOM 0 H LYS A 72 -0.808 -7.455 -7.340 1.00 0.00 H new ATOM 0 HA LYS A 72 1.802 -8.834 -7.591 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.953 -9.348 -8.699 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.443 -9.831 -9.642 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.002 -10.681 -6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.539 -11.620 -8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.347 -10.734 -7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.795 -12.140 -7.052 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.963 -13.153 -9.172 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.517 -11.748 -10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.113 -13.547 -10.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.788 -12.228 -9.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.251 -13.590 -8.490 1.00 0.00 H new ATOM 1091 N GLU A 73 0.532 -6.403 -9.297 1.00 0.00 N ATOM 1092 CA GLU A 73 0.800 -5.407 -10.327 1.00 0.00 C ATOM 1093 C GLU A 73 2.288 -5.075 -10.388 1.00 0.00 C ATOM 1094 O GLU A 73 3.048 -5.415 -9.481 1.00 0.00 O ATOM 1095 CB GLU A 73 -0.007 -4.135 -10.060 1.00 0.00 C ATOM 1096 CG GLU A 73 -1.471 -4.249 -10.450 1.00 0.00 C ATOM 1097 CD GLU A 73 -1.709 -3.949 -11.917 1.00 0.00 C ATOM 1098 OE1 GLU A 73 -1.506 -4.857 -12.749 1.00 0.00 O ATOM 1099 OE2 GLU A 73 -2.098 -2.805 -12.232 1.00 0.00 O ATOM 0 H GLU A 73 -0.264 -6.186 -8.697 1.00 0.00 H new ATOM 0 HA GLU A 73 0.499 -5.825 -11.288 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.060 -3.888 -9.000 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.443 -3.308 -10.609 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.825 -5.255 -10.227 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.060 -3.562 -9.842 1.00 0.00 H new ATOM 1106 N GLU A 74 2.697 -4.411 -11.465 1.00 0.00 N ATOM 1107 CA GLU A 74 4.094 -4.035 -11.645 1.00 0.00 C ATOM 1108 C GLU A 74 4.341 -2.609 -11.160 1.00 0.00 C ATOM 1109 O GLU A 74 3.434 -1.775 -11.161 1.00 0.00 O ATOM 1110 CB GLU A 74 4.493 -4.161 -13.117 1.00 0.00 C ATOM 1111 CG GLU A 74 4.844 -5.579 -13.533 1.00 0.00 C ATOM 1112 CD GLU A 74 3.619 -6.411 -13.861 1.00 0.00 C ATOM 1113 OE1 GLU A 74 2.696 -5.876 -14.511 1.00 0.00 O ATOM 1114 OE2 GLU A 74 3.582 -7.595 -13.468 1.00 0.00 O ATOM 0 H GLU A 74 2.081 -4.123 -12.225 1.00 0.00 H new ATOM 0 HA GLU A 74 4.706 -4.713 -11.050 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.673 -3.801 -13.739 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.348 -3.513 -13.310 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.500 -5.547 -14.403 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.402 -6.061 -12.731 1.00 0.00 H new ATOM 1121 N HIS A 75 5.574 -2.336 -10.746 1.00 0.00 N ATOM 1122 CA HIS A 75 5.941 -1.012 -10.258 1.00 0.00 C ATOM 1123 C HIS A 75 5.550 0.066 -11.265 1.00 0.00 C ATOM 1124 O HIS A 75 4.981 1.094 -10.899 1.00 0.00 O ATOM 1125 CB HIS A 75 7.443 -0.946 -9.979 1.00 0.00 C ATOM 1126 CG HIS A 75 7.925 0.425 -9.614 1.00 0.00 C ATOM 1127 ND1 HIS A 75 7.582 1.054 -8.436 1.00 0.00 N ATOM 1128 CD2 HIS A 75 8.729 1.286 -10.279 1.00 0.00 C ATOM 1129 CE1 HIS A 75 8.153 2.244 -8.393 1.00 0.00 C ATOM 1130 NE2 HIS A 75 8.856 2.410 -9.500 1.00 0.00 N ATOM 0 H HIS A 75 6.336 -3.014 -10.739 1.00 0.00 H new ATOM 0 HA HIS A 75 5.399 -0.831 -9.330 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.684 -1.635 -9.169 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.983 -1.289 -10.861 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.186 1.120 -11.243 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.061 2.960 -7.590 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.403 3.237 -9.737 1.00 0.00 H new ATOM 1139 N ALA A 76 5.861 -0.177 -12.534 1.00 0.00 N ATOM 1140 CA ALA A 76 5.541 0.772 -13.593 1.00 0.00 C ATOM 1141 C ALA A 76 4.035 0.980 -13.708 1.00 0.00 C ATOM 1142 O ALA A 76 3.578 1.991 -14.240 1.00 0.00 O ATOM 1143 CB ALA A 76 6.113 0.294 -14.920 1.00 0.00 C ATOM 0 H ALA A 76 6.334 -1.022 -12.853 1.00 0.00 H new ATOM 0 HA ALA A 76 5.995 1.730 -13.338 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.867 1.012 -15.702 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.196 0.204 -14.838 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.686 -0.677 -15.171 1.00 0.00 H new ATOM 1149 N GLN A 77 3.270 0.015 -13.208 1.00 0.00 N ATOM 1150 CA GLN A 77 1.814 0.093 -13.256 1.00 0.00 C ATOM 1151 C GLN A 77 1.270 0.868 -12.061 1.00 0.00 C ATOM 1152 O GLN A 77 0.315 1.634 -12.187 1.00 0.00 O ATOM 1153 CB GLN A 77 1.208 -1.311 -13.287 1.00 0.00 C ATOM 1154 CG GLN A 77 1.131 -1.910 -14.682 1.00 0.00 C ATOM 1155 CD GLN A 77 -0.022 -1.352 -15.494 1.00 0.00 C ATOM 1156 OE1 GLN A 77 0.135 -0.375 -16.226 1.00 0.00 O ATOM 1157 NE2 GLN A 77 -1.189 -1.972 -15.368 1.00 0.00 N ATOM 0 H GLN A 77 3.633 -0.829 -12.765 1.00 0.00 H new ATOM 0 HA GLN A 77 1.534 0.623 -14.167 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.801 -1.968 -12.651 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.206 -1.274 -12.861 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.067 -1.719 -15.208 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.025 -2.992 -14.603 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.274 -2.779 -14.749 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.001 -1.642 -15.890 1.00 0.00 H new ATOM 1166 N VAL A 78 1.885 0.663 -10.900 1.00 0.00 N ATOM 1167 CA VAL A 78 1.463 1.344 -9.681 1.00 0.00 C ATOM 1168 C VAL A 78 1.838 2.821 -9.718 1.00 0.00 C ATOM 1169 O VAL A 78 0.980 3.694 -9.581 1.00 0.00 O ATOM 1170 CB VAL A 78 2.089 0.697 -8.432 1.00 0.00 C ATOM 1171 CG1 VAL A 78 1.603 1.393 -7.169 1.00 0.00 C ATOM 1172 CG2 VAL A 78 1.774 -0.790 -8.386 1.00 0.00 C ATOM 0 H VAL A 78 2.677 0.031 -10.778 1.00 0.00 H new ATOM 0 HA VAL A 78 0.379 1.250 -9.625 1.00 0.00 H new ATOM 0 HB VAL A 78 3.171 0.813 -8.489 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.056 0.922 -6.297 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.886 2.445 -7.201 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.518 1.311 -7.103 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.225 -1.230 -7.496 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.694 -0.932 -8.354 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.177 -1.275 -9.275 1.00 0.00 H new ATOM 1182 N VAL A 79 3.125 3.094 -9.905 1.00 0.00 N ATOM 1183 CA VAL A 79 3.614 4.467 -9.962 1.00 0.00 C ATOM 1184 C VAL A 79 2.627 5.373 -10.690 1.00 0.00 C ATOM 1185 O VAL A 79 2.316 6.468 -10.223 1.00 0.00 O ATOM 1186 CB VAL A 79 4.982 4.546 -10.667 1.00 0.00 C ATOM 1187 CG1 VAL A 79 4.863 4.096 -12.115 1.00 0.00 C ATOM 1188 CG2 VAL A 79 5.543 5.957 -10.583 1.00 0.00 C ATOM 0 H VAL A 79 3.848 2.383 -10.020 1.00 0.00 H new ATOM 0 HA VAL A 79 3.723 4.807 -8.932 1.00 0.00 H new ATOM 0 HB VAL A 79 5.673 3.874 -10.158 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.839 4.159 -12.597 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.507 3.066 -12.148 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.157 4.740 -12.639 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.509 5.995 -11.086 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.855 6.651 -11.066 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.667 6.238 -9.537 1.00 0.00 H new ATOM 1198 N GLU A 80 2.137 4.907 -11.834 1.00 0.00 N ATOM 1199 CA GLU A 80 1.185 5.676 -12.626 1.00 0.00 C ATOM 1200 C GLU A 80 -0.092 5.943 -11.833 1.00 0.00 C ATOM 1201 O GLU A 80 -0.581 7.072 -11.784 1.00 0.00 O ATOM 1202 CB GLU A 80 0.848 4.935 -13.921 1.00 0.00 C ATOM 1203 CG GLU A 80 -0.510 5.301 -14.497 1.00 0.00 C ATOM 1204 CD GLU A 80 -0.568 5.140 -16.004 1.00 0.00 C ATOM 1205 OE1 GLU A 80 0.422 5.498 -16.676 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -1.601 4.656 -16.510 1.00 0.00 O ATOM 0 H GLU A 80 2.383 4.001 -12.233 1.00 0.00 H new ATOM 0 HA GLU A 80 1.646 6.632 -12.873 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.617 5.149 -14.663 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.876 3.862 -13.733 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.275 4.675 -14.039 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.745 6.333 -14.236 1.00 0.00 H new ATOM 1213 N LEU A 81 -0.626 4.896 -11.215 1.00 0.00 N ATOM 1214 CA LEU A 81 -1.846 5.016 -10.424 1.00 0.00 C ATOM 1215 C LEU A 81 -1.725 6.142 -9.402 1.00 0.00 C ATOM 1216 O LEU A 81 -2.677 6.885 -9.165 1.00 0.00 O ATOM 1217 CB LEU A 81 -2.148 3.696 -9.712 1.00 0.00 C ATOM 1218 CG LEU A 81 -2.608 2.542 -10.604 1.00 0.00 C ATOM 1219 CD1 LEU A 81 -2.214 1.206 -9.993 1.00 0.00 C ATOM 1220 CD2 LEU A 81 -4.112 2.607 -10.826 1.00 0.00 C ATOM 0 H LEU A 81 -0.234 3.955 -11.246 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.666 5.252 -11.102 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.251 3.381 -9.178 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.918 3.879 -8.962 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.114 2.635 -11.571 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.549 0.396 -10.641 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.130 1.160 -9.886 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.680 1.103 -9.013 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.422 1.778 -11.463 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.625 2.539 -9.867 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.368 3.551 -11.308 1.00 0.00 H new ATOM 1232 N VAL A 82 -0.546 6.263 -8.800 1.00 0.00 N ATOM 1233 CA VAL A 82 -0.298 7.300 -7.806 1.00 0.00 C ATOM 1234 C VAL A 82 -0.264 8.682 -8.450 1.00 0.00 C ATOM 1235 O VAL A 82 -0.406 9.698 -7.770 1.00 0.00 O ATOM 1236 CB VAL A 82 1.029 7.060 -7.063 1.00 0.00 C ATOM 1237 CG1 VAL A 82 1.209 8.078 -5.947 1.00 0.00 C ATOM 1238 CG2 VAL A 82 1.083 5.641 -6.515 1.00 0.00 C ATOM 0 H VAL A 82 0.252 5.655 -8.984 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.119 7.255 -7.091 1.00 0.00 H new ATOM 0 HB VAL A 82 1.849 7.184 -7.771 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.152 7.892 -5.434 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.218 9.083 -6.369 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.386 7.989 -5.238 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.028 5.488 -5.993 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.256 5.487 -5.822 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.004 4.930 -7.337 1.00 0.00 H new ATOM 1248 N ARG A 83 -0.075 8.711 -9.765 1.00 0.00 N ATOM 1249 CA ARG A 83 -0.022 9.968 -10.502 1.00 0.00 C ATOM 1250 C ARG A 83 -1.419 10.407 -10.929 1.00 0.00 C ATOM 1251 O ARG A 83 -1.818 11.551 -10.706 1.00 0.00 O ATOM 1252 CB ARG A 83 0.878 9.826 -11.731 1.00 0.00 C ATOM 1253 CG ARG A 83 2.318 9.477 -11.394 1.00 0.00 C ATOM 1254 CD ARG A 83 3.011 10.618 -10.665 1.00 0.00 C ATOM 1255 NE ARG A 83 3.018 11.847 -11.453 1.00 0.00 N ATOM 1256 CZ ARG A 83 3.906 12.103 -12.408 1.00 0.00 C ATOM 1257 NH1 ARG A 83 4.852 11.220 -12.692 1.00 0.00 N ATOM 1258 NH2 ARG A 83 3.847 13.245 -13.081 1.00 0.00 N ATOM 0 H ARG A 83 0.044 7.878 -10.342 1.00 0.00 H new ATOM 0 HA ARG A 83 0.394 10.730 -9.842 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.469 9.054 -12.383 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.861 10.760 -12.293 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.341 8.581 -10.774 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.862 9.245 -12.310 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.508 10.799 -9.715 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.036 10.330 -10.433 1.00 0.00 H new ATOM 0 HE ARG A 83 2.302 12.548 -11.260 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.900 10.341 -12.177 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.532 11.419 -13.426 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.120 13.927 -12.865 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.529 13.441 -13.814 1.00 0.00 H new ATOM 1272 N LYS A 84 -2.159 9.492 -11.545 1.00 0.00 N ATOM 1273 CA LYS A 84 -3.513 9.783 -12.003 1.00 0.00 C ATOM 1274 C LYS A 84 -4.419 10.140 -10.830 1.00 0.00 C ATOM 1275 O LYS A 84 -5.447 10.796 -11.005 1.00 0.00 O ATOM 1276 CB LYS A 84 -4.087 8.582 -12.758 1.00 0.00 C ATOM 1277 CG LYS A 84 -4.690 7.525 -11.850 1.00 0.00 C ATOM 1278 CD LYS A 84 -5.480 6.495 -12.641 1.00 0.00 C ATOM 1279 CE LYS A 84 -6.495 5.778 -11.764 1.00 0.00 C ATOM 1280 NZ LYS A 84 -7.161 4.660 -12.488 1.00 0.00 N ATOM 0 H LYS A 84 -1.844 8.541 -11.739 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.466 10.639 -12.676 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.851 8.931 -13.452 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.297 8.128 -13.356 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.896 7.027 -11.293 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.342 8.002 -11.118 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.994 6.985 -13.468 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.796 5.767 -13.078 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.997 5.390 -10.875 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.247 6.489 -11.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.845 4.196 -11.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.657 5.033 -13.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.446 3.968 -12.791 1.00 0.00 H new ATOM 1294 N SER A 85 -4.032 9.707 -9.635 1.00 0.00 N ATOM 1295 CA SER A 85 -4.811 9.979 -8.433 1.00 0.00 C ATOM 1296 C SER A 85 -5.365 11.401 -8.455 1.00 0.00 C ATOM 1297 O SER A 85 -6.573 11.611 -8.360 1.00 0.00 O ATOM 1298 CB SER A 85 -3.952 9.774 -7.184 1.00 0.00 C ATOM 1299 OG SER A 85 -2.783 10.573 -7.233 1.00 0.00 O ATOM 0 H SER A 85 -3.183 9.166 -9.473 1.00 0.00 H new ATOM 0 HA SER A 85 -5.648 9.281 -8.407 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.531 10.025 -6.295 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.675 8.723 -7.098 1.00 0.00 H new ATOM 0 HG SER A 85 -1.993 10.004 -7.119 1.00 0.00 H new ATOM 1305 N GLY A 86 -4.469 12.376 -8.582 1.00 0.00 N ATOM 1306 CA GLY A 86 -4.885 13.766 -8.614 1.00 0.00 C ATOM 1307 C GLY A 86 -4.207 14.599 -7.544 1.00 0.00 C ATOM 1308 O GLY A 86 -3.081 15.058 -7.727 1.00 0.00 O ATOM 0 H GLY A 86 -3.463 12.228 -8.663 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.661 14.187 -9.594 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.966 13.822 -8.483 1.00 0.00 H new ATOM 1312 N ASN A 87 -4.896 14.796 -6.425 1.00 0.00 N ATOM 1313 CA ASN A 87 -4.354 15.582 -5.322 1.00 0.00 C ATOM 1314 C ASN A 87 -3.974 14.683 -4.149 1.00 0.00 C ATOM 1315 O ASN A 87 -2.885 14.805 -3.588 1.00 0.00 O ATOM 1316 CB ASN A 87 -5.371 16.630 -4.867 1.00 0.00 C ATOM 1317 CG ASN A 87 -5.941 17.424 -6.027 1.00 0.00 C ATOM 1318 OD1 ASN A 87 -7.131 17.336 -6.330 1.00 0.00 O ATOM 1319 ND2 ASN A 87 -5.091 18.206 -6.683 1.00 0.00 N ATOM 0 H ASN A 87 -5.830 14.423 -6.258 1.00 0.00 H new ATOM 0 HA ASN A 87 -3.455 16.087 -5.676 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -6.184 16.136 -4.334 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.895 17.312 -4.162 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -5.417 18.764 -7.472 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -4.113 18.248 -6.398 1.00 0.00 H new ATOM 1326 N SER A 88 -4.879 13.782 -3.784 1.00 0.00 N ATOM 1327 CA SER A 88 -4.641 12.864 -2.675 1.00 0.00 C ATOM 1328 C SER A 88 -4.636 11.417 -3.159 1.00 0.00 C ATOM 1329 O SER A 88 -5.086 11.119 -4.265 1.00 0.00 O ATOM 1330 CB SER A 88 -5.708 13.049 -1.595 1.00 0.00 C ATOM 1331 OG SER A 88 -7.004 12.794 -2.109 1.00 0.00 O ATOM 0 H SER A 88 -5.784 13.667 -4.239 1.00 0.00 H new ATOM 0 HA SER A 88 -3.662 13.090 -2.252 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.506 12.377 -0.761 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.662 14.066 -1.204 1.00 0.00 H new ATOM 0 HG SER A 88 -7.668 12.917 -1.399 1.00 0.00 H new ATOM 1337 N VAL A 89 -4.122 10.522 -2.322 1.00 0.00 N ATOM 1338 CA VAL A 89 -4.057 9.106 -2.662 1.00 0.00 C ATOM 1339 C VAL A 89 -4.324 8.234 -1.440 1.00 0.00 C ATOM 1340 O VAL A 89 -3.753 8.453 -0.371 1.00 0.00 O ATOM 1341 CB VAL A 89 -2.686 8.733 -3.256 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -2.763 7.396 -3.979 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -2.196 9.827 -4.192 1.00 0.00 C ATOM 0 H VAL A 89 -3.744 10.753 -1.403 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.829 8.925 -3.409 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.970 8.637 -2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.785 7.149 -4.392 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.067 6.620 -3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.492 7.461 -4.787 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.226 9.547 -4.603 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.910 9.957 -5.005 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.100 10.762 -3.640 1.00 0.00 H new ATOM 1353 N THR A 90 -5.195 7.244 -1.605 1.00 0.00 N ATOM 1354 CA THR A 90 -5.538 6.339 -0.515 1.00 0.00 C ATOM 1355 C THR A 90 -4.642 5.106 -0.521 1.00 0.00 C ATOM 1356 O THR A 90 -4.603 4.359 -1.501 1.00 0.00 O ATOM 1357 CB THR A 90 -7.010 5.891 -0.599 1.00 0.00 C ATOM 1358 OG1 THR A 90 -7.875 7.025 -0.474 1.00 0.00 O ATOM 1359 CG2 THR A 90 -7.330 4.879 0.491 1.00 0.00 C ATOM 0 H THR A 90 -5.676 7.048 -2.483 1.00 0.00 H new ATOM 0 HA THR A 90 -5.386 6.890 0.413 1.00 0.00 H new ATOM 0 HB THR A 90 -7.169 5.419 -1.569 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.809 6.732 -0.530 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.374 4.577 0.412 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.690 4.005 0.375 1.00 0.00 H new ATOM 0 HG23 THR A 90 -7.155 5.329 1.468 1.00 0.00 H new ATOM 1367 N LEU A 91 -3.924 4.896 0.577 1.00 0.00 N ATOM 1368 CA LEU A 91 -3.028 3.751 0.698 1.00 0.00 C ATOM 1369 C LEU A 91 -3.399 2.895 1.905 1.00 0.00 C ATOM 1370 O LEU A 91 -3.789 3.414 2.951 1.00 0.00 O ATOM 1371 CB LEU A 91 -1.579 4.224 0.819 1.00 0.00 C ATOM 1372 CG LEU A 91 -1.165 5.367 -0.109 1.00 0.00 C ATOM 1373 CD1 LEU A 91 0.116 6.019 0.386 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -0.992 4.860 -1.534 1.00 0.00 C ATOM 0 H LEU A 91 -3.945 5.503 1.396 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.131 3.143 -0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.405 4.538 1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.924 3.374 0.630 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.955 6.118 -0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.395 6.830 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.042 6.417 1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.915 5.278 0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.697 5.686 -2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.221 4.090 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.934 4.440 -1.888 1.00 0.00 H new ATOM 1386 N LEU A 92 -3.273 1.581 1.752 1.00 0.00 N ATOM 1387 CA LEU A 92 -3.592 0.652 2.831 1.00 0.00 C ATOM 1388 C LEU A 92 -2.356 -0.133 3.257 1.00 0.00 C ATOM 1389 O LEU A 92 -1.874 -0.997 2.525 1.00 0.00 O ATOM 1390 CB LEU A 92 -4.695 -0.312 2.390 1.00 0.00 C ATOM 1391 CG LEU A 92 -6.101 0.281 2.284 1.00 0.00 C ATOM 1392 CD1 LEU A 92 -7.032 -0.680 1.561 1.00 0.00 C ATOM 1393 CD2 LEU A 92 -6.645 0.614 3.666 1.00 0.00 C ATOM 0 H LEU A 92 -2.953 1.135 0.892 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.943 1.232 3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.422 -0.725 1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.725 -1.144 3.093 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.043 1.203 1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.028 -0.241 1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.652 -0.869 0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.085 -1.619 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.646 1.035 3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.688 -0.293 4.268 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -5.991 1.339 4.149 1.00 0.00 H new ATOM 1405 N VAL A 93 -1.848 0.173 4.447 1.00 0.00 N ATOM 1406 CA VAL A 93 -0.670 -0.506 4.973 1.00 0.00 C ATOM 1407 C VAL A 93 -1.036 -1.419 6.138 1.00 0.00 C ATOM 1408 O VAL A 93 -1.846 -1.059 6.993 1.00 0.00 O ATOM 1409 CB VAL A 93 0.396 0.502 5.441 1.00 0.00 C ATOM 1410 CG1 VAL A 93 0.982 1.249 4.253 1.00 0.00 C ATOM 1411 CG2 VAL A 93 -0.195 1.472 6.453 1.00 0.00 C ATOM 0 H VAL A 93 -2.234 0.887 5.065 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.261 -1.106 4.160 1.00 0.00 H new ATOM 0 HB VAL A 93 1.202 -0.048 5.928 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.733 1.957 4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.444 0.538 3.568 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.189 1.788 3.735 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.573 2.177 6.773 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.020 2.017 5.995 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.561 0.918 7.317 1.00 0.00 H new ATOM 1421 N LEU A 94 -0.436 -2.604 6.165 1.00 0.00 N ATOM 1422 CA LEU A 94 -0.698 -3.570 7.226 1.00 0.00 C ATOM 1423 C LEU A 94 0.574 -3.874 8.012 1.00 0.00 C ATOM 1424 O LEU A 94 1.682 -3.617 7.542 1.00 0.00 O ATOM 1425 CB LEU A 94 -1.267 -4.862 6.636 1.00 0.00 C ATOM 1426 CG LEU A 94 -1.739 -5.909 7.646 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -2.997 -5.436 8.357 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -1.984 -7.243 6.955 1.00 0.00 C ATOM 0 H LEU A 94 0.235 -2.919 5.464 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.429 -3.135 7.908 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.107 -4.604 5.990 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.505 -5.315 6.002 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.956 -6.046 8.391 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.318 -6.194 9.072 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.789 -4.505 8.884 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.788 -5.269 7.625 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.319 -7.976 7.688 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.749 -7.121 6.188 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.059 -7.589 6.493 1.00 0.00 H new ATOM 1440 N ASP A 95 0.405 -4.424 9.209 1.00 0.00 N ATOM 1441 CA ASP A 95 1.540 -4.766 10.060 1.00 0.00 C ATOM 1442 C ASP A 95 2.284 -5.979 9.511 1.00 0.00 C ATOM 1443 O ASP A 95 1.691 -7.031 9.279 1.00 0.00 O ATOM 1444 CB ASP A 95 1.068 -5.045 11.488 1.00 0.00 C ATOM 1445 CG ASP A 95 0.583 -3.793 12.193 1.00 0.00 C ATOM 1446 OD1 ASP A 95 1.387 -2.849 12.345 1.00 0.00 O ATOM 1447 OD2 ASP A 95 -0.599 -3.757 12.591 1.00 0.00 O ATOM 0 H ASP A 95 -0.506 -4.643 9.612 1.00 0.00 H new ATOM 0 HA ASP A 95 2.224 -3.917 10.071 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.263 -5.780 11.464 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.886 -5.486 12.058 1.00 0.00 H new ATOM 1452 N GLY A 96 3.588 -5.822 9.304 1.00 0.00 N ATOM 1453 CA GLY A 96 4.392 -6.912 8.782 1.00 0.00 C ATOM 1454 C GLY A 96 3.924 -8.266 9.277 1.00 0.00 C ATOM 1455 O GLY A 96 3.321 -9.034 8.527 1.00 0.00 O ATOM 0 H GLY A 96 4.102 -4.960 9.488 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.358 -6.895 7.693 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.432 -6.763 9.071 1.00 0.00 H new ATOM 1459 N ASP A 97 4.204 -8.561 10.542 1.00 0.00 N ATOM 1460 CA ASP A 97 3.808 -9.833 11.136 1.00 0.00 C ATOM 1461 C ASP A 97 2.426 -10.255 10.645 1.00 0.00 C ATOM 1462 O ASP A 97 2.239 -11.380 10.181 1.00 0.00 O ATOM 1463 CB ASP A 97 3.811 -9.730 12.662 1.00 0.00 C ATOM 1464 CG ASP A 97 5.175 -10.016 13.259 1.00 0.00 C ATOM 1465 OD1 ASP A 97 5.970 -9.064 13.404 1.00 0.00 O ATOM 1466 OD2 ASP A 97 5.446 -11.191 13.581 1.00 0.00 O ATOM 0 H ASP A 97 4.703 -7.937 11.176 1.00 0.00 H new ATOM 0 HA ASP A 97 4.530 -10.590 10.829 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.491 -8.730 12.956 1.00 0.00 H new ATOM 0 HB3 ASP A 97 3.084 -10.431 13.072 1.00 0.00 H new ATOM 1471 N SER A 98 1.462 -9.346 10.752 1.00 0.00 N ATOM 1472 CA SER A 98 0.097 -9.626 10.323 1.00 0.00 C ATOM 1473 C SER A 98 0.061 -10.028 8.852 1.00 0.00 C ATOM 1474 O SER A 98 -0.660 -10.949 8.466 1.00 0.00 O ATOM 1475 CB SER A 98 -0.792 -8.402 10.551 1.00 0.00 C ATOM 1476 OG SER A 98 -2.133 -8.786 10.803 1.00 0.00 O ATOM 0 H SER A 98 1.601 -8.410 11.132 1.00 0.00 H new ATOM 0 HA SER A 98 -0.281 -10.457 10.918 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.411 -7.824 11.393 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.754 -7.753 9.676 1.00 0.00 H new ATOM 0 HG SER A 98 -2.376 -9.532 10.215 1.00 0.00 H new ATOM 1482 N TYR A 99 0.844 -9.333 8.036 1.00 0.00 N ATOM 1483 CA TYR A 99 0.901 -9.615 6.606 1.00 0.00 C ATOM 1484 C TYR A 99 1.290 -11.068 6.353 1.00 0.00 C ATOM 1485 O TYR A 99 0.504 -11.846 5.813 1.00 0.00 O ATOM 1486 CB TYR A 99 1.901 -8.681 5.920 1.00 0.00 C ATOM 1487 CG TYR A 99 1.726 -8.604 4.420 1.00 0.00 C ATOM 1488 CD1 TYR A 99 2.019 -9.694 3.610 1.00 0.00 C ATOM 1489 CD2 TYR A 99 1.267 -7.442 3.813 1.00 0.00 C ATOM 1490 CE1 TYR A 99 1.862 -9.628 2.239 1.00 0.00 C ATOM 1491 CE2 TYR A 99 1.105 -7.367 2.444 1.00 0.00 C ATOM 1492 CZ TYR A 99 1.404 -8.463 1.661 1.00 0.00 C ATOM 1493 OH TYR A 99 1.245 -8.393 0.296 1.00 0.00 O ATOM 0 H TYR A 99 1.449 -8.570 8.340 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.091 -9.445 6.188 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.799 -7.681 6.341 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.913 -9.019 6.143 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.376 -10.609 4.060 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.033 -6.582 4.423 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.097 -10.484 1.624 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.746 -6.456 1.989 1.00 0.00 H new ATOM 0 HH TYR A 99 1.265 -9.297 -0.082 1.00 0.00 H new ATOM 1503 N GLU A 100 2.507 -11.426 6.748 1.00 0.00 N ATOM 1504 CA GLU A 100 3.001 -12.786 6.563 1.00 0.00 C ATOM 1505 C GLU A 100 1.961 -13.808 7.015 1.00 0.00 C ATOM 1506 O GLU A 100 1.697 -14.791 6.322 1.00 0.00 O ATOM 1507 CB GLU A 100 4.303 -12.990 7.340 1.00 0.00 C ATOM 1508 CG GLU A 100 5.392 -11.996 6.974 1.00 0.00 C ATOM 1509 CD GLU A 100 6.620 -12.126 7.854 1.00 0.00 C ATOM 1510 OE1 GLU A 100 7.376 -13.105 7.678 1.00 0.00 O ATOM 1511 OE2 GLU A 100 6.826 -11.248 8.718 1.00 0.00 O ATOM 0 H GLU A 100 3.169 -10.794 7.198 1.00 0.00 H new ATOM 0 HA GLU A 100 3.194 -12.934 5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.095 -12.912 8.407 1.00 0.00 H new ATOM 0 HB3 GLU A 100 4.670 -14.001 7.159 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.678 -12.144 5.933 1.00 0.00 H new ATOM 0 HG3 GLU A 100 4.997 -10.983 7.055 1.00 0.00 H new ATOM 1518 N LYS A 101 1.373 -13.568 8.182 1.00 0.00 N ATOM 1519 CA LYS A 101 0.362 -14.465 8.728 1.00 0.00 C ATOM 1520 C LYS A 101 -0.748 -14.717 7.712 1.00 0.00 C ATOM 1521 O LYS A 101 -1.054 -15.862 7.384 1.00 0.00 O ATOM 1522 CB LYS A 101 -0.230 -13.879 10.012 1.00 0.00 C ATOM 1523 CG LYS A 101 -1.127 -14.846 10.765 1.00 0.00 C ATOM 1524 CD LYS A 101 -1.534 -14.290 12.119 1.00 0.00 C ATOM 1525 CE LYS A 101 -0.384 -14.347 13.113 1.00 0.00 C ATOM 1526 NZ LYS A 101 -0.868 -14.370 14.521 1.00 0.00 N ATOM 0 H LYS A 101 1.580 -12.759 8.768 1.00 0.00 H new ATOM 0 HA LYS A 101 0.842 -15.416 8.958 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.583 -13.566 10.667 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.802 -12.985 9.763 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.018 -15.053 10.173 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.608 -15.794 10.901 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.867 -13.258 12.005 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.380 -14.857 12.507 1.00 0.00 H new ATOM 0 HE2 LYS A 101 0.218 -15.235 12.921 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.266 -13.484 12.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.054 -14.409 15.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.421 -13.510 14.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.467 -15.207 14.668 1.00 0.00 H new ATOM 1540 N ALA A 102 -1.346 -13.638 7.218 1.00 0.00 N ATOM 1541 CA ALA A 102 -2.420 -13.742 6.237 1.00 0.00 C ATOM 1542 C ALA A 102 -2.016 -14.645 5.076 1.00 0.00 C ATOM 1543 O ALA A 102 -2.607 -15.705 4.866 1.00 0.00 O ATOM 1544 CB ALA A 102 -2.803 -12.361 5.725 1.00 0.00 C ATOM 0 H ALA A 102 -1.105 -12.682 7.481 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.285 -14.188 6.727 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.606 -12.454 4.993 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -3.141 -11.745 6.558 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.937 -11.894 5.256 1.00 0.00 H new ATOM 1550 N VAL A 103 -1.008 -14.218 4.323 1.00 0.00 N ATOM 1551 CA VAL A 103 -0.525 -14.988 3.183 1.00 0.00 C ATOM 1552 C VAL A 103 -0.424 -16.471 3.524 1.00 0.00 C ATOM 1553 O VAL A 103 -0.939 -17.323 2.800 1.00 0.00 O ATOM 1554 CB VAL A 103 0.852 -14.487 2.708 1.00 0.00 C ATOM 1555 CG1 VAL A 103 1.358 -15.332 1.550 1.00 0.00 C ATOM 1556 CG2 VAL A 103 0.777 -13.019 2.315 1.00 0.00 C ATOM 0 H VAL A 103 -0.510 -13.342 4.482 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.249 -14.851 2.380 1.00 0.00 H new ATOM 0 HB VAL A 103 1.559 -14.584 3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.332 -14.963 1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.451 -16.370 1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.654 -15.270 0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.758 -12.681 1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 103 0.057 -12.895 1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.462 -12.428 3.175 1.00 0.00 H new ATOM 1566 N LYS A 104 0.244 -16.772 4.633 1.00 0.00 N ATOM 1567 CA LYS A 104 0.412 -18.152 5.073 1.00 0.00 C ATOM 1568 C LYS A 104 -0.932 -18.868 5.145 1.00 0.00 C ATOM 1569 O LYS A 104 -1.065 -20.005 4.694 1.00 0.00 O ATOM 1570 CB LYS A 104 1.097 -18.192 6.441 1.00 0.00 C ATOM 1571 CG LYS A 104 2.568 -17.817 6.397 1.00 0.00 C ATOM 1572 CD LYS A 104 3.436 -19.009 6.029 1.00 0.00 C ATOM 1573 CE LYS A 104 4.915 -18.656 6.071 1.00 0.00 C ATOM 1574 NZ LYS A 104 5.762 -19.747 5.515 1.00 0.00 N ATOM 0 H LYS A 104 0.678 -16.079 5.243 1.00 0.00 H new ATOM 0 HA LYS A 104 1.038 -18.666 4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.578 -17.513 7.118 1.00 0.00 H new ATOM 0 HB3 LYS A 104 0.999 -19.194 6.858 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.719 -17.018 5.671 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.875 -17.428 7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.237 -19.831 6.717 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.172 -19.358 5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.086 -17.740 5.506 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.211 -18.455 7.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.763 -19.468 5.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.619 -20.615 6.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.497 -19.922 4.525 1.00 0.00 H new ATOM 1588 N ASN A 105 -1.927 -18.195 5.714 1.00 0.00 N ATOM 1589 CA ASN A 105 -3.262 -18.768 5.843 1.00 0.00 C ATOM 1590 C ASN A 105 -4.063 -18.575 4.559 1.00 0.00 C ATOM 1591 O ASN A 105 -5.287 -18.704 4.556 1.00 0.00 O ATOM 1592 CB ASN A 105 -4.002 -18.129 7.020 1.00 0.00 C ATOM 1593 CG ASN A 105 -3.218 -18.224 8.315 1.00 0.00 C ATOM 1594 OD1 ASN A 105 -2.531 -19.214 8.567 1.00 0.00 O ATOM 1595 ND2 ASN A 105 -3.319 -17.191 9.145 1.00 0.00 N ATOM 0 H ASN A 105 -1.834 -17.253 6.093 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.156 -19.837 6.027 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -4.201 -17.081 6.795 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.968 -18.617 7.147 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -2.815 -17.198 10.032 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -3.900 -16.391 8.895 1.00 0.00 H new ATOM 1602 N GLN A 106 -3.364 -18.266 3.472 1.00 0.00 N ATOM 1603 CA GLN A 106 -4.011 -18.055 2.183 1.00 0.00 C ATOM 1604 C GLN A 106 -5.287 -17.236 2.341 1.00 0.00 C ATOM 1605 O GLN A 106 -6.309 -17.532 1.721 1.00 0.00 O ATOM 1606 CB GLN A 106 -4.331 -19.397 1.524 1.00 0.00 C ATOM 1607 CG GLN A 106 -3.116 -20.085 0.922 1.00 0.00 C ATOM 1608 CD GLN A 106 -3.484 -21.299 0.091 1.00 0.00 C ATOM 1609 OE1 GLN A 106 -3.909 -21.173 -1.057 1.00 0.00 O ATOM 1610 NE2 GLN A 106 -3.321 -22.483 0.669 1.00 0.00 N ATOM 0 H GLN A 106 -2.350 -18.156 3.458 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.322 -17.500 1.546 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.782 -20.057 2.265 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.074 -19.240 0.742 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -2.572 -19.375 0.299 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -2.441 -20.388 1.723 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -2.965 -22.540 1.623 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -3.551 -23.336 0.159 1.00 0.00 H new ATOM 1619 N VAL A 107 -5.222 -16.203 3.177 1.00 0.00 N ATOM 1620 CA VAL A 107 -6.373 -15.340 3.416 1.00 0.00 C ATOM 1621 C VAL A 107 -6.443 -14.219 2.386 1.00 0.00 C ATOM 1622 O VAL A 107 -5.535 -13.394 2.288 1.00 0.00 O ATOM 1623 CB VAL A 107 -6.328 -14.724 4.827 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -7.517 -13.801 5.045 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -6.289 -15.817 5.885 1.00 0.00 C ATOM 0 H VAL A 107 -4.385 -15.944 3.699 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.261 -15.965 3.328 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.418 -14.131 4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -7.468 -13.375 6.047 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -7.494 -12.998 4.308 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -8.442 -14.367 4.936 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -6.257 -15.363 6.876 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -7.180 -16.439 5.799 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.401 -16.433 5.739 1.00 0.00 H new ATOM 1635 N ASP A 108 -7.528 -14.195 1.619 1.00 0.00 N ATOM 1636 CA ASP A 108 -7.718 -13.174 0.596 1.00 0.00 C ATOM 1637 C ASP A 108 -7.258 -11.809 1.098 1.00 0.00 C ATOM 1638 O ASP A 108 -7.671 -11.358 2.167 1.00 0.00 O ATOM 1639 CB ASP A 108 -9.188 -13.109 0.177 1.00 0.00 C ATOM 1640 CG ASP A 108 -9.645 -14.369 -0.531 1.00 0.00 C ATOM 1641 OD1 ASP A 108 -8.833 -14.960 -1.274 1.00 0.00 O ATOM 1642 OD2 ASP A 108 -10.814 -14.764 -0.343 1.00 0.00 O ATOM 0 H ASP A 108 -8.289 -14.871 1.687 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.113 -13.445 -0.269 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.807 -12.947 1.059 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -9.338 -12.252 -0.480 1.00 0.00 H new ATOM 1647 N LEU A 109 -6.400 -11.157 0.321 1.00 0.00 N ATOM 1648 CA LEU A 109 -5.883 -9.843 0.688 1.00 0.00 C ATOM 1649 C LEU A 109 -6.618 -8.739 -0.065 1.00 0.00 C ATOM 1650 O LEU A 109 -6.647 -7.588 0.371 1.00 0.00 O ATOM 1651 CB LEU A 109 -4.384 -9.764 0.395 1.00 0.00 C ATOM 1652 CG LEU A 109 -3.484 -10.648 1.259 1.00 0.00 C ATOM 1653 CD1 LEU A 109 -2.057 -10.633 0.733 1.00 0.00 C ATOM 1654 CD2 LEU A 109 -3.524 -10.194 2.711 1.00 0.00 C ATOM 0 H LEU A 109 -6.048 -11.516 -0.566 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.047 -9.700 1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.224 -10.029 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.065 -8.729 0.514 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.857 -11.671 1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.431 -11.268 1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.043 -11.008 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.673 -9.613 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.878 -10.835 3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.177 -9.163 2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.546 -10.259 3.084 1.00 0.00 H new ATOM 1666 N LYS A 110 -7.214 -9.097 -1.197 1.00 0.00 N ATOM 1667 CA LYS A 110 -7.954 -8.139 -2.010 1.00 0.00 C ATOM 1668 C LYS A 110 -9.131 -7.559 -1.232 1.00 0.00 C ATOM 1669 O LYS A 110 -9.508 -6.405 -1.429 1.00 0.00 O ATOM 1670 CB LYS A 110 -8.456 -8.806 -3.292 1.00 0.00 C ATOM 1671 CG LYS A 110 -7.353 -9.107 -4.293 1.00 0.00 C ATOM 1672 CD LYS A 110 -7.836 -10.041 -5.390 1.00 0.00 C ATOM 1673 CE LYS A 110 -8.774 -9.330 -6.354 1.00 0.00 C ATOM 1674 NZ LYS A 110 -9.147 -10.197 -7.506 1.00 0.00 N ATOM 0 H LYS A 110 -7.199 -10.045 -1.573 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.278 -7.325 -2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.964 -9.735 -3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -9.196 -8.159 -3.763 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.998 -8.176 -4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -6.505 -9.558 -3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.980 -10.435 -5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.348 -10.894 -4.944 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.675 -9.023 -5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.296 -8.422 -6.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.787 -9.676 -8.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.289 -10.469 -8.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.626 -11.052 -7.157 1.00 0.00 H new ATOM 1688 N GLU A 111 -9.705 -8.368 -0.347 1.00 0.00 N ATOM 1689 CA GLU A 111 -10.839 -7.933 0.461 1.00 0.00 C ATOM 1690 C GLU A 111 -10.436 -6.798 1.397 1.00 0.00 C ATOM 1691 O GLU A 111 -11.128 -5.783 1.495 1.00 0.00 O ATOM 1692 CB GLU A 111 -11.394 -9.105 1.272 1.00 0.00 C ATOM 1693 CG GLU A 111 -11.875 -10.265 0.416 1.00 0.00 C ATOM 1694 CD GLU A 111 -13.184 -9.966 -0.289 1.00 0.00 C ATOM 1695 OE1 GLU A 111 -14.184 -9.689 0.407 1.00 0.00 O ATOM 1696 OE2 GLU A 111 -13.209 -10.009 -1.537 1.00 0.00 O ATOM 0 H GLU A 111 -9.404 -9.327 -0.171 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.614 -7.567 -0.213 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.621 -9.463 1.953 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.221 -8.751 1.887 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.113 -10.504 -0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.998 -11.148 1.043 1.00 0.00 H new ATOM 1703 N LEU A 112 -9.313 -6.976 2.085 1.00 0.00 N ATOM 1704 CA LEU A 112 -8.817 -5.967 3.014 1.00 0.00 C ATOM 1705 C LEU A 112 -9.135 -4.562 2.514 1.00 0.00 C ATOM 1706 O LEU A 112 -8.549 -4.092 1.539 1.00 0.00 O ATOM 1707 CB LEU A 112 -7.307 -6.122 3.208 1.00 0.00 C ATOM 1708 CG LEU A 112 -6.796 -7.553 3.382 1.00 0.00 C ATOM 1709 CD1 LEU A 112 -5.292 -7.559 3.603 1.00 0.00 C ATOM 1710 CD2 LEU A 112 -7.510 -8.237 4.539 1.00 0.00 C ATOM 0 H LEU A 112 -8.729 -7.810 2.017 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.317 -6.114 3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.803 -5.680 2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.012 -5.543 4.083 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.011 -8.109 2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.946 -8.586 3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.796 -7.109 2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.054 -6.987 4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.134 -9.254 4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.327 -7.682 5.459 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.581 -8.266 4.340 1.00 0.00 H new ATOM 1722 N ASP A 113 -10.066 -3.896 3.190 1.00 0.00 N ATOM 1723 CA ASP A 113 -10.460 -2.542 2.816 1.00 0.00 C ATOM 1724 C ASP A 113 -10.495 -1.630 4.038 1.00 0.00 C ATOM 1725 O ASP A 113 -11.498 -1.565 4.747 1.00 0.00 O ATOM 1726 CB ASP A 113 -11.829 -2.557 2.136 1.00 0.00 C ATOM 1727 CG ASP A 113 -12.295 -1.169 1.743 1.00 0.00 C ATOM 1728 OD1 ASP A 113 -12.937 -0.499 2.579 1.00 0.00 O ATOM 1729 OD2 ASP A 113 -12.018 -0.752 0.599 1.00 0.00 O ATOM 0 H ASP A 113 -10.561 -4.271 3.999 1.00 0.00 H new ATOM 0 HA ASP A 113 -9.720 -2.154 2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -11.783 -3.187 1.248 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.560 -3.006 2.808 1.00 0.00 H new ATOM 1734 N GLN A 114 -9.392 -0.928 4.277 1.00 0.00 N ATOM 1735 CA GLN A 114 -9.296 -0.020 5.415 1.00 0.00 C ATOM 1736 C GLN A 114 -9.993 -0.606 6.638 1.00 0.00 C ATOM 1737 O GLN A 114 -10.529 0.127 7.471 1.00 0.00 O ATOM 1738 CB GLN A 114 -9.910 1.337 5.064 1.00 0.00 C ATOM 1739 CG GLN A 114 -11.425 1.306 4.944 1.00 0.00 C ATOM 1740 CD GLN A 114 -12.066 2.628 5.318 1.00 0.00 C ATOM 1741 OE1 GLN A 114 -11.382 3.637 5.487 1.00 0.00 O ATOM 1742 NE2 GLN A 114 -13.388 2.629 5.448 1.00 0.00 N ATOM 0 H GLN A 114 -8.553 -0.970 3.699 1.00 0.00 H new ATOM 0 HA GLN A 114 -8.241 0.117 5.652 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -9.629 2.062 5.828 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -9.486 1.686 4.122 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -11.700 1.050 3.921 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -11.821 0.520 5.587 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -13.916 1.769 5.299 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -13.875 3.490 5.697 1.00 0.00 H new