USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 429 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 23 GLN : amide:sc= -1.47 K(o=-1.5,f=-3.6!) USER MOD Set 1.2: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0.776 K(o=0.78,f=-4!) USER MOD Single : A 14 ASN : amide:sc= 0.631 K(o=0.63,f=-6.7!) USER MOD Single : A 20 MET CE :methyl -170:sc= -0.465 (180deg=-0.672) USER MOD Single : A 21 MET CE :methyl -125:sc= -1.43 (180deg=-2.28) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.187 X(o=0.19,f=-0.001) USER MOD Single : A 41 ASN : amide:sc= 0.509 K(o=0.51,f=-3.7!) USER MOD Single : A 47 ASN : amide:sc= 0.268 K(o=0.27,f=-5) USER MOD Single : A 52 MET CE :methyl 163:sc= -0.0723 (180deg=-0.451) USER MOD Single : A 56 LYS NZ :NH3+ 160:sc= 1.23 (180deg=1.02) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 3 3.313 1.663 7.443 1.00 0.00 N ATOM 71 CA ILE A 3 3.414 2.653 6.437 1.00 0.00 C ATOM 72 C ILE A 3 2.678 2.123 5.212 1.00 0.00 C ATOM 73 O ILE A 3 3.096 1.147 4.604 1.00 0.00 O ATOM 74 CB ILE A 3 4.917 2.988 6.152 1.00 0.00 C ATOM 75 CG1 ILE A 3 5.110 3.818 4.856 1.00 0.00 C ATOM 76 CG2 ILE A 3 5.799 1.736 6.203 1.00 0.00 C ATOM 77 CD1 ILE A 3 6.559 4.187 4.552 1.00 0.00 C ATOM 0 HA ILE A 3 2.957 3.593 6.747 1.00 0.00 H new ATOM 0 HB ILE A 3 5.256 3.635 6.961 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.708 3.254 4.015 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.524 4.734 4.935 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.834 2.011 6.000 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.731 1.283 7.192 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.460 1.021 5.453 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.601 4.766 3.629 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.963 4.781 5.372 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.150 3.278 4.437 1.00 0.00 H new ATOM 89 N LEU A 4 1.533 2.717 4.927 1.00 0.00 N ATOM 90 CA LEU A 4 0.659 2.272 3.862 1.00 0.00 C ATOM 91 C LEU A 4 1.344 2.346 2.516 1.00 0.00 C ATOM 92 O LEU A 4 1.660 3.433 2.021 1.00 0.00 O ATOM 93 CB LEU A 4 -0.634 3.087 3.848 1.00 0.00 C ATOM 94 CG LEU A 4 -1.463 3.098 5.137 1.00 0.00 C ATOM 95 CD1 LEU A 4 -2.789 3.807 4.915 1.00 0.00 C ATOM 96 CD2 LEU A 4 -1.669 1.689 5.671 1.00 0.00 C ATOM 0 H LEU A 4 1.182 3.529 5.435 1.00 0.00 H new ATOM 0 HA LEU A 4 0.412 1.228 4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.382 4.118 3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.264 2.709 3.043 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.908 3.653 5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.363 3.804 5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.604 4.836 4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.352 3.290 4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.260 1.729 6.586 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.193 1.091 4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.701 1.236 5.885 1.00 0.00 H new ATOM 108 N GLY A 5 1.577 1.198 1.945 1.00 0.00 N ATOM 109 CA GLY A 5 2.269 1.128 0.696 1.00 0.00 C ATOM 110 C GLY A 5 3.597 0.425 0.852 1.00 0.00 C ATOM 111 O GLY A 5 4.197 -0.009 -0.122 1.00 0.00 O ATOM 0 H GLY A 5 1.295 0.296 2.329 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.657 0.599 -0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.429 2.134 0.308 1.00 0.00 H new ATOM 115 N ASP A 6 4.060 0.321 2.070 1.00 0.00 N ATOM 116 CA ASP A 6 5.285 -0.360 2.354 1.00 0.00 C ATOM 117 C ASP A 6 5.029 -1.541 3.270 1.00 0.00 C ATOM 118 O ASP A 6 5.041 -1.453 4.491 1.00 0.00 O ATOM 119 CB ASP A 6 6.348 0.589 2.862 1.00 0.00 C ATOM 120 CG ASP A 6 7.602 -0.112 3.257 1.00 0.00 C ATOM 121 OD1 ASP A 6 8.040 -1.027 2.537 1.00 0.00 O ATOM 122 OD2 ASP A 6 8.206 0.262 4.243 1.00 0.00 O ATOM 0 H ASP A 6 3.594 0.708 2.891 1.00 0.00 H new ATOM 0 HA ASP A 6 5.689 -0.766 1.427 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.575 1.322 2.088 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.959 1.139 3.719 1.00 0.00 H new ATOM 127 N LEU A 7 4.751 -2.626 2.621 1.00 0.00 N ATOM 128 CA LEU A 7 4.308 -3.872 3.210 1.00 0.00 C ATOM 129 C LEU A 7 5.448 -4.667 3.806 1.00 0.00 C ATOM 130 O LEU A 7 5.292 -5.348 4.812 1.00 0.00 O ATOM 131 CB LEU A 7 3.593 -4.722 2.147 1.00 0.00 C ATOM 132 CG LEU A 7 2.194 -4.276 1.653 1.00 0.00 C ATOM 133 CD1 LEU A 7 2.195 -2.929 0.965 1.00 0.00 C ATOM 134 CD2 LEU A 7 1.653 -5.298 0.718 1.00 0.00 C ATOM 0 H LEU A 7 4.828 -2.681 1.605 1.00 0.00 H new ATOM 0 HA LEU A 7 3.623 -3.621 4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.247 -4.781 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.497 -5.733 2.543 1.00 0.00 H new ATOM 0 HG LEU A 7 1.568 -4.178 2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.182 -2.682 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.553 -2.167 1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.850 -2.965 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.668 -4.987 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.324 -5.403 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.569 -6.255 1.233 1.00 0.00 H new ATOM 146 N ASN A 8 6.585 -4.604 3.166 1.00 0.00 N ATOM 147 CA ASN A 8 7.755 -5.356 3.603 1.00 0.00 C ATOM 148 C ASN A 8 8.596 -4.552 4.571 1.00 0.00 C ATOM 149 O ASN A 8 9.555 -5.070 5.128 1.00 0.00 O ATOM 150 CB ASN A 8 8.606 -5.867 2.409 1.00 0.00 C ATOM 151 CG ASN A 8 9.148 -4.766 1.518 1.00 0.00 C ATOM 152 OD1 ASN A 8 8.545 -3.705 1.369 1.00 0.00 O ATOM 153 ND2 ASN A 8 10.252 -5.014 0.879 1.00 0.00 N ATOM 0 H ASN A 8 6.737 -4.037 2.332 1.00 0.00 H new ATOM 0 HA ASN A 8 7.386 -6.236 4.129 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.441 -6.451 2.796 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.998 -6.541 1.806 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.636 -4.321 0.237 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.734 -5.902 1.019 1.00 0.00 H new ATOM 160 N ASP A 9 8.190 -3.299 4.792 1.00 0.00 N ATOM 161 CA ASP A 9 8.856 -2.378 5.725 1.00 0.00 C ATOM 162 C ASP A 9 10.311 -2.109 5.310 1.00 0.00 C ATOM 163 O ASP A 9 11.280 -2.561 5.940 1.00 0.00 O ATOM 164 CB ASP A 9 8.704 -2.814 7.202 1.00 0.00 C ATOM 165 CG ASP A 9 9.291 -1.833 8.214 1.00 0.00 C ATOM 166 OD1 ASP A 9 10.327 -2.152 8.848 1.00 0.00 O ATOM 167 OD2 ASP A 9 8.733 -0.745 8.392 1.00 0.00 O ATOM 0 H ASP A 9 7.382 -2.888 4.325 1.00 0.00 H new ATOM 0 HA ASP A 9 8.339 -1.421 5.660 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.645 -2.952 7.420 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.185 -3.783 7.333 1.00 0.00 H new ATOM 172 N ASP A 10 10.441 -1.505 4.158 1.00 0.00 N ATOM 173 CA ASP A 10 11.737 -1.142 3.599 1.00 0.00 C ATOM 174 C ASP A 10 11.871 0.378 3.497 1.00 0.00 C ATOM 175 O ASP A 10 12.954 0.910 3.200 1.00 0.00 O ATOM 176 CB ASP A 10 12.018 -1.837 2.230 1.00 0.00 C ATOM 177 CG ASP A 10 11.039 -1.502 1.124 1.00 0.00 C ATOM 178 OD1 ASP A 10 10.736 -2.354 0.273 1.00 0.00 O ATOM 179 OD2 ASP A 10 10.441 -0.448 1.113 1.00 0.00 O ATOM 0 H ASP A 10 9.650 -1.245 3.569 1.00 0.00 H new ATOM 0 HA ASP A 10 12.499 -1.509 4.286 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.021 -1.564 1.901 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.015 -2.916 2.381 1.00 0.00 H new ATOM 184 N GLY A 11 10.767 1.064 3.741 1.00 0.00 N ATOM 185 CA GLY A 11 10.745 2.505 3.731 1.00 0.00 C ATOM 186 C GLY A 11 10.238 3.118 2.444 1.00 0.00 C ATOM 187 O GLY A 11 10.123 4.337 2.355 1.00 0.00 O ATOM 0 H GLY A 11 9.867 0.633 3.950 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.120 2.852 4.554 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.754 2.872 3.920 1.00 0.00 H new ATOM 191 N VAL A 12 9.907 2.309 1.458 1.00 0.00 N ATOM 192 CA VAL A 12 9.527 2.855 0.164 1.00 0.00 C ATOM 193 C VAL A 12 8.559 1.920 -0.626 1.00 0.00 C ATOM 194 O VAL A 12 8.577 0.690 -0.462 1.00 0.00 O ATOM 195 CB VAL A 12 10.834 3.190 -0.647 1.00 0.00 C ATOM 196 CG1 VAL A 12 11.730 1.970 -0.792 1.00 0.00 C ATOM 197 CG2 VAL A 12 10.550 3.831 -1.994 1.00 0.00 C ATOM 0 H VAL A 12 9.892 1.291 1.521 1.00 0.00 H new ATOM 0 HA VAL A 12 8.960 3.772 0.323 1.00 0.00 H new ATOM 0 HB VAL A 12 11.372 3.935 -0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.622 2.239 -1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.020 1.612 0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.191 1.183 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.491 4.038 -2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.950 3.153 -2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.005 4.763 -1.846 1.00 0.00 H new ATOM 207 N VAL A 13 7.690 2.509 -1.423 1.00 0.00 N ATOM 208 CA VAL A 13 6.770 1.776 -2.256 1.00 0.00 C ATOM 209 C VAL A 13 7.477 1.239 -3.538 1.00 0.00 C ATOM 210 O VAL A 13 7.737 1.981 -4.495 1.00 0.00 O ATOM 211 CB VAL A 13 5.505 2.649 -2.603 1.00 0.00 C ATOM 212 CG1 VAL A 13 4.717 2.973 -1.345 1.00 0.00 C ATOM 213 CG2 VAL A 13 5.870 3.957 -3.319 1.00 0.00 C ATOM 0 H VAL A 13 7.605 3.522 -1.508 1.00 0.00 H new ATOM 0 HA VAL A 13 6.421 0.909 -1.695 1.00 0.00 H new ATOM 0 HB VAL A 13 4.896 2.052 -3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.847 3.576 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.388 2.047 -0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.350 3.528 -0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.962 4.520 -3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.522 4.552 -2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.386 3.729 -4.252 1.00 0.00 H new ATOM 223 N ASN A 14 7.887 -0.016 -3.503 1.00 0.00 N ATOM 224 CA ASN A 14 8.529 -0.623 -4.664 1.00 0.00 C ATOM 225 C ASN A 14 7.837 -1.923 -5.066 1.00 0.00 C ATOM 226 O ASN A 14 6.778 -2.260 -4.544 1.00 0.00 O ATOM 227 CB ASN A 14 10.042 -0.822 -4.483 1.00 0.00 C ATOM 228 CG ASN A 14 10.400 -1.790 -3.400 1.00 0.00 C ATOM 229 OD1 ASN A 14 10.465 -2.979 -3.620 1.00 0.00 O ATOM 230 ND2 ASN A 14 10.660 -1.282 -2.256 1.00 0.00 N ATOM 0 H ASN A 14 7.791 -0.632 -2.696 1.00 0.00 H new ATOM 0 HA ASN A 14 8.414 0.088 -5.482 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.468 -1.170 -5.424 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.502 0.141 -4.262 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.936 -1.885 -1.481 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.592 -0.274 -2.118 1.00 0.00 H new ATOM 237 N GLY A 15 8.488 -2.679 -5.937 1.00 0.00 N ATOM 238 CA GLY A 15 7.926 -3.897 -6.503 1.00 0.00 C ATOM 239 C GLY A 15 7.812 -5.041 -5.522 1.00 0.00 C ATOM 240 O GLY A 15 7.027 -5.955 -5.732 1.00 0.00 O ATOM 0 H GLY A 15 9.427 -2.464 -6.273 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.936 -3.676 -6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.545 -4.213 -7.343 1.00 0.00 H new ATOM 244 N ARG A 16 8.598 -4.996 -4.454 1.00 0.00 N ATOM 245 CA ARG A 16 8.563 -6.017 -3.400 1.00 0.00 C ATOM 246 C ARG A 16 7.239 -5.990 -2.705 1.00 0.00 C ATOM 247 O ARG A 16 6.705 -7.021 -2.324 1.00 0.00 O ATOM 248 CB ARG A 16 9.636 -5.741 -2.379 1.00 0.00 C ATOM 249 CG ARG A 16 11.041 -5.982 -2.850 1.00 0.00 C ATOM 250 CD ARG A 16 11.319 -7.462 -2.999 1.00 0.00 C ATOM 251 NE ARG A 16 12.737 -7.741 -3.224 1.00 0.00 N ATOM 252 CZ ARG A 16 13.360 -8.852 -2.810 1.00 0.00 C ATOM 253 NH1 ARG A 16 12.675 -9.811 -2.194 1.00 0.00 N ATOM 254 NH2 ARG A 16 14.663 -9.010 -3.020 1.00 0.00 N ATOM 0 H ARG A 16 9.279 -4.255 -4.289 1.00 0.00 H new ATOM 0 HA ARG A 16 8.725 -6.991 -3.861 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.551 -4.703 -2.056 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.451 -6.363 -1.503 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.199 -5.481 -3.805 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.745 -5.546 -2.141 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.986 -7.984 -2.102 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.737 -7.857 -3.832 1.00 0.00 H new ATOM 0 HE ARG A 16 13.286 -7.045 -3.728 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.673 -9.701 -2.036 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.151 -10.656 -1.879 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.194 -8.283 -3.499 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.132 -9.858 -2.702 1.00 0.00 H new ATOM 268 N ASP A 17 6.714 -4.797 -2.560 1.00 0.00 N ATOM 269 CA ASP A 17 5.447 -4.568 -1.909 1.00 0.00 C ATOM 270 C ASP A 17 4.351 -5.233 -2.686 1.00 0.00 C ATOM 271 O ASP A 17 3.492 -5.878 -2.106 1.00 0.00 O ATOM 272 CB ASP A 17 5.188 -3.084 -1.783 1.00 0.00 C ATOM 273 CG ASP A 17 6.258 -2.412 -0.971 1.00 0.00 C ATOM 274 OD1 ASP A 17 7.230 -1.859 -1.534 1.00 0.00 O ATOM 275 OD2 ASP A 17 6.246 -2.472 0.262 1.00 0.00 O ATOM 0 H ASP A 17 7.162 -3.945 -2.896 1.00 0.00 H new ATOM 0 HA ASP A 17 5.474 -4.997 -0.907 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.145 -2.634 -2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.217 -2.920 -1.316 1.00 0.00 H new ATOM 280 N ILE A 18 4.409 -5.079 -4.015 1.00 0.00 N ATOM 281 CA ILE A 18 3.505 -5.756 -4.963 1.00 0.00 C ATOM 282 C ILE A 18 3.446 -7.264 -4.684 1.00 0.00 C ATOM 283 O ILE A 18 2.367 -7.862 -4.655 1.00 0.00 O ATOM 284 CB ILE A 18 3.954 -5.515 -6.469 1.00 0.00 C ATOM 285 CG1 ILE A 18 3.606 -4.115 -6.974 1.00 0.00 C ATOM 286 CG2 ILE A 18 3.366 -6.549 -7.434 1.00 0.00 C ATOM 287 CD1 ILE A 18 4.190 -2.978 -6.228 1.00 0.00 C ATOM 0 H ILE A 18 5.092 -4.474 -4.471 1.00 0.00 H new ATOM 0 HA ILE A 18 2.514 -5.326 -4.821 1.00 0.00 H new ATOM 0 HB ILE A 18 5.038 -5.623 -6.453 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.923 -4.039 -8.014 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.521 -4.009 -6.963 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.706 -6.336 -8.447 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.695 -7.547 -7.143 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.278 -6.502 -7.399 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.869 -2.041 -6.683 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.854 -3.012 -5.192 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.278 -3.043 -6.259 1.00 0.00 H new ATOM 299 N VAL A 19 4.607 -7.844 -4.462 1.00 0.00 N ATOM 300 CA VAL A 19 4.745 -9.269 -4.191 1.00 0.00 C ATOM 301 C VAL A 19 4.016 -9.624 -2.905 1.00 0.00 C ATOM 302 O VAL A 19 3.123 -10.457 -2.911 1.00 0.00 O ATOM 303 CB VAL A 19 6.234 -9.675 -4.048 1.00 0.00 C ATOM 304 CG1 VAL A 19 6.406 -11.185 -3.946 1.00 0.00 C ATOM 305 CG2 VAL A 19 7.047 -9.110 -5.188 1.00 0.00 C ATOM 0 H VAL A 19 5.493 -7.339 -4.464 1.00 0.00 H new ATOM 0 HA VAL A 19 4.312 -9.809 -5.033 1.00 0.00 H new ATOM 0 HB VAL A 19 6.604 -9.250 -3.115 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.465 -11.425 -3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.867 -11.554 -3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.009 -11.658 -4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.090 -9.405 -5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.664 -9.495 -6.133 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.974 -8.022 -5.183 1.00 0.00 H new ATOM 315 N MET A 20 4.367 -8.911 -1.831 1.00 0.00 N ATOM 316 CA MET A 20 3.819 -9.134 -0.470 1.00 0.00 C ATOM 317 C MET A 20 2.291 -8.987 -0.471 1.00 0.00 C ATOM 318 O MET A 20 1.574 -9.738 0.202 1.00 0.00 O ATOM 319 CB MET A 20 4.398 -8.108 0.500 1.00 0.00 C ATOM 320 CG MET A 20 5.916 -7.978 0.477 1.00 0.00 C ATOM 321 SD MET A 20 6.809 -9.360 1.209 1.00 0.00 S ATOM 322 CE MET A 20 6.479 -9.109 2.952 1.00 0.00 C ATOM 0 H MET A 20 5.047 -8.152 -1.872 1.00 0.00 H new ATOM 0 HA MET A 20 4.090 -10.143 -0.160 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.963 -7.134 0.276 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.087 -8.372 1.511 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.240 -7.862 -0.557 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.196 -7.065 1.003 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.107 -9.777 3.541 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.698 -8.075 3.219 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.430 -9.322 3.158 1.00 0.00 H new ATOM 332 N MET A 21 1.831 -8.000 -1.231 1.00 0.00 N ATOM 333 CA MET A 21 0.414 -7.683 -1.444 1.00 0.00 C ATOM 334 C MET A 21 -0.311 -8.915 -1.940 1.00 0.00 C ATOM 335 O MET A 21 -1.245 -9.405 -1.308 1.00 0.00 O ATOM 336 CB MET A 21 0.349 -6.601 -2.531 1.00 0.00 C ATOM 337 CG MET A 21 -1.022 -6.030 -2.926 1.00 0.00 C ATOM 338 SD MET A 21 -1.630 -4.649 -1.921 1.00 0.00 S ATOM 339 CE MET A 21 -2.049 -5.402 -0.380 1.00 0.00 C ATOM 0 H MET A 21 2.455 -7.371 -1.737 1.00 0.00 H new ATOM 0 HA MET A 21 -0.048 -7.344 -0.517 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.972 -5.768 -2.205 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.808 -7.009 -3.431 1.00 0.00 H new ATOM 0 HG2 MET A 21 -0.971 -5.702 -3.964 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.755 -6.836 -2.882 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.086 -5.173 -0.133 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.924 -6.482 -0.457 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.396 -5.016 0.403 1.00 0.00 H new ATOM 349 N ARG A 22 0.202 -9.438 -3.036 1.00 0.00 N ATOM 350 CA ARG A 22 -0.364 -10.567 -3.738 1.00 0.00 C ATOM 351 C ARG A 22 -0.295 -11.846 -2.929 1.00 0.00 C ATOM 352 O ARG A 22 -1.170 -12.683 -3.042 1.00 0.00 O ATOM 353 CB ARG A 22 0.327 -10.716 -5.080 1.00 0.00 C ATOM 354 CG ARG A 22 0.001 -9.584 -6.031 1.00 0.00 C ATOM 355 CD ARG A 22 0.868 -9.620 -7.267 1.00 0.00 C ATOM 356 NE ARG A 22 0.413 -8.649 -8.275 1.00 0.00 N ATOM 357 CZ ARG A 22 0.828 -8.605 -9.553 1.00 0.00 C ATOM 358 NH1 ARG A 22 1.740 -9.475 -9.998 1.00 0.00 N ATOM 359 NH2 ARG A 22 0.325 -7.691 -10.383 1.00 0.00 N ATOM 0 H ARG A 22 1.049 -9.076 -3.474 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.425 -10.376 -3.899 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.405 -10.758 -4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.033 -11.663 -5.533 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.048 -9.644 -6.321 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.136 -8.631 -5.520 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.901 -9.405 -6.994 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.853 -10.623 -7.694 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.272 -7.953 -7.980 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.125 -10.178 -9.367 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.051 -9.436 -10.969 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.373 -7.027 -10.048 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.638 -7.656 -11.353 1.00 0.00 H new ATOM 373 N GLN A 23 0.734 -11.972 -2.095 1.00 0.00 N ATOM 374 CA GLN A 23 0.894 -13.122 -1.209 1.00 0.00 C ATOM 375 C GLN A 23 -0.295 -13.230 -0.284 1.00 0.00 C ATOM 376 O GLN A 23 -0.993 -14.244 -0.254 1.00 0.00 O ATOM 377 CB GLN A 23 2.134 -12.963 -0.342 1.00 0.00 C ATOM 378 CG GLN A 23 3.421 -12.841 -1.099 1.00 0.00 C ATOM 379 CD GLN A 23 3.761 -14.116 -1.808 1.00 0.00 C ATOM 380 OE1 GLN A 23 3.475 -15.194 -1.322 1.00 0.00 O ATOM 381 NE2 GLN A 23 4.304 -14.025 -2.961 1.00 0.00 N ATOM 0 H GLN A 23 1.480 -11.281 -2.014 1.00 0.00 H new ATOM 0 HA GLN A 23 0.983 -14.011 -1.833 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.012 -12.078 0.283 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.203 -13.820 0.328 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.344 -12.030 -1.823 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.226 -12.579 -0.412 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.534 -13.109 -3.346 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.508 -14.869 -3.497 1.00 0.00 H new ATOM 390 N TYR A 24 -0.547 -12.158 0.442 1.00 0.00 N ATOM 391 CA TYR A 24 -1.610 -12.139 1.408 1.00 0.00 C ATOM 392 C TYR A 24 -2.963 -12.214 0.734 1.00 0.00 C ATOM 393 O TYR A 24 -3.850 -12.913 1.194 1.00 0.00 O ATOM 394 CB TYR A 24 -1.511 -10.907 2.262 1.00 0.00 C ATOM 395 CG TYR A 24 -2.482 -10.921 3.406 1.00 0.00 C ATOM 396 CD1 TYR A 24 -2.221 -11.663 4.543 1.00 0.00 C ATOM 397 CD2 TYR A 24 -3.664 -10.217 3.335 1.00 0.00 C ATOM 398 CE1 TYR A 24 -3.118 -11.702 5.577 1.00 0.00 C ATOM 399 CE2 TYR A 24 -4.564 -10.243 4.360 1.00 0.00 C ATOM 400 CZ TYR A 24 -4.291 -10.990 5.486 1.00 0.00 C ATOM 401 OH TYR A 24 -5.191 -11.026 6.519 1.00 0.00 O ATOM 0 H TYR A 24 -0.021 -11.286 0.375 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.508 -13.017 2.045 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.497 -10.820 2.652 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.693 -10.026 1.646 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.298 -12.219 4.617 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.882 -9.634 2.452 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.905 -12.288 6.459 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.484 -9.682 4.290 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.966 -10.469 6.297 1.00 0.00 H new ATOM 411 N LEU A 25 -3.101 -11.483 -0.339 1.00 0.00 N ATOM 412 CA LEU A 25 -4.332 -11.496 -1.167 1.00 0.00 C ATOM 413 C LEU A 25 -4.687 -12.906 -1.639 1.00 0.00 C ATOM 414 O LEU A 25 -5.856 -13.292 -1.637 1.00 0.00 O ATOM 415 CB LEU A 25 -4.224 -10.567 -2.379 1.00 0.00 C ATOM 416 CG LEU A 25 -4.223 -9.066 -2.097 1.00 0.00 C ATOM 417 CD1 LEU A 25 -4.031 -8.296 -3.382 1.00 0.00 C ATOM 418 CD2 LEU A 25 -5.521 -8.639 -1.430 1.00 0.00 C ATOM 0 H LEU A 25 -2.377 -10.853 -0.685 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.129 -11.130 -0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.307 -10.813 -2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.054 -10.786 -3.050 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.397 -8.848 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.032 -7.227 -3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.080 -8.575 -3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.843 -8.529 -4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.496 -7.566 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.360 -8.872 -2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.638 -9.173 -0.487 1.00 0.00 H new ATOM 430 N ALA A 26 -3.675 -13.668 -2.009 1.00 0.00 N ATOM 431 CA ALA A 26 -3.843 -15.056 -2.448 1.00 0.00 C ATOM 432 C ALA A 26 -4.241 -15.958 -1.279 1.00 0.00 C ATOM 433 O ALA A 26 -4.798 -17.036 -1.471 1.00 0.00 O ATOM 434 CB ALA A 26 -2.562 -15.562 -3.078 1.00 0.00 C ATOM 0 H ALA A 26 -2.707 -13.348 -2.016 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.643 -15.083 -3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.698 -16.594 -3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.311 -14.943 -3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.754 -15.514 -2.348 1.00 0.00 H new ATOM 440 N GLY A 27 -3.970 -15.500 -0.080 1.00 0.00 N ATOM 441 CA GLY A 27 -4.295 -16.237 1.089 1.00 0.00 C ATOM 442 C GLY A 27 -3.111 -16.977 1.629 1.00 0.00 C ATOM 443 O GLY A 27 -3.258 -18.032 2.236 1.00 0.00 O ATOM 0 H GLY A 27 -3.517 -14.604 0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.678 -15.558 1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.093 -16.944 0.862 1.00 0.00 H new ATOM 447 N LYS A 28 -1.926 -16.458 1.364 1.00 0.00 N ATOM 448 CA LYS A 28 -0.704 -17.051 1.863 1.00 0.00 C ATOM 449 C LYS A 28 -0.313 -16.340 3.136 1.00 0.00 C ATOM 450 O LYS A 28 -0.765 -15.214 3.390 1.00 0.00 O ATOM 451 CB LYS A 28 0.435 -16.921 0.839 1.00 0.00 C ATOM 452 CG LYS A 28 0.090 -17.435 -0.531 1.00 0.00 C ATOM 453 CD LYS A 28 1.243 -17.226 -1.465 1.00 0.00 C ATOM 454 CE LYS A 28 0.902 -17.633 -2.876 1.00 0.00 C ATOM 455 NZ LYS A 28 2.019 -17.379 -3.793 1.00 0.00 N ATOM 0 H LYS A 28 -1.786 -15.619 0.801 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.875 -18.112 2.047 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.721 -15.872 0.761 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.306 -17.462 1.210 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.158 -18.495 -0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.793 -16.920 -0.910 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.537 -16.176 -1.450 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.101 -17.802 -1.118 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.645 -18.692 -2.898 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.022 -17.084 -3.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.752 -17.670 -4.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.247 -16.364 -3.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.851 -17.922 -3.486 1.00 0.00 H new ATOM 469 N THR A 29 0.475 -16.978 3.942 1.00 0.00 N ATOM 470 CA THR A 29 0.969 -16.359 5.138 1.00 0.00 C ATOM 471 C THR A 29 2.279 -15.705 4.778 1.00 0.00 C ATOM 472 O THR A 29 3.254 -16.401 4.443 1.00 0.00 O ATOM 473 CB THR A 29 1.216 -17.395 6.242 1.00 0.00 C ATOM 474 OG1 THR A 29 0.067 -18.249 6.351 1.00 0.00 O ATOM 475 CG2 THR A 29 1.432 -16.696 7.573 1.00 0.00 C ATOM 0 H THR A 29 0.794 -17.935 3.795 1.00 0.00 H new ATOM 0 HA THR A 29 0.239 -15.642 5.514 1.00 0.00 H new ATOM 0 HB THR A 29 2.101 -17.979 5.991 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.220 -18.915 7.054 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.607 -17.440 8.350 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.297 -16.036 7.501 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.548 -16.110 7.824 1.00 0.00 H new ATOM 483 N VAL A 30 2.309 -14.399 4.786 1.00 0.00 N ATOM 484 CA VAL A 30 3.489 -13.723 4.383 1.00 0.00 C ATOM 485 C VAL A 30 4.314 -13.496 5.613 1.00 0.00 C ATOM 486 O VAL A 30 3.938 -12.717 6.482 1.00 0.00 O ATOM 487 CB VAL A 30 3.190 -12.370 3.722 1.00 0.00 C ATOM 488 CG1 VAL A 30 4.309 -11.987 2.778 1.00 0.00 C ATOM 489 CG2 VAL A 30 1.843 -12.355 3.024 1.00 0.00 C ATOM 0 H VAL A 30 1.534 -13.797 5.065 1.00 0.00 H new ATOM 0 HA VAL A 30 4.010 -14.332 3.644 1.00 0.00 H new ATOM 0 HB VAL A 30 3.134 -11.622 4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.083 -11.026 2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.244 -11.912 3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.407 -12.747 2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.678 -11.377 2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.827 -13.120 2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.055 -12.557 3.749 1.00 0.00 H new ATOM 499 N SER A 31 5.377 -14.205 5.716 1.00 0.00 N ATOM 500 CA SER A 31 6.217 -14.129 6.863 1.00 0.00 C ATOM 501 C SER A 31 7.072 -12.849 6.830 1.00 0.00 C ATOM 502 O SER A 31 7.870 -12.643 5.908 1.00 0.00 O ATOM 503 CB SER A 31 7.063 -15.388 6.918 1.00 0.00 C ATOM 504 OG SER A 31 6.227 -16.540 6.788 1.00 0.00 O ATOM 0 H SER A 31 5.695 -14.861 5.003 1.00 0.00 H new ATOM 0 HA SER A 31 5.617 -14.070 7.771 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.805 -15.374 6.119 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.610 -15.429 7.860 1.00 0.00 H new ATOM 0 HG SER A 31 6.778 -17.350 6.822 1.00 0.00 H new ATOM 510 N GLY A 32 6.862 -11.988 7.805 1.00 0.00 N ATOM 511 CA GLY A 32 7.627 -10.768 7.913 1.00 0.00 C ATOM 512 C GLY A 32 6.981 -9.584 7.207 1.00 0.00 C ATOM 513 O GLY A 32 7.675 -8.627 6.812 1.00 0.00 O ATOM 0 H GLY A 32 6.163 -12.114 8.537 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.761 -10.524 8.967 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.620 -10.933 7.495 1.00 0.00 H new ATOM 517 N ILE A 33 5.674 -9.622 7.057 1.00 0.00 N ATOM 518 CA ILE A 33 4.954 -8.564 6.395 1.00 0.00 C ATOM 519 C ILE A 33 4.347 -7.650 7.455 1.00 0.00 C ATOM 520 O ILE A 33 4.126 -8.078 8.606 1.00 0.00 O ATOM 521 CB ILE A 33 3.804 -9.156 5.480 1.00 0.00 C ATOM 522 CG1 ILE A 33 3.235 -8.090 4.524 1.00 0.00 C ATOM 523 CG2 ILE A 33 2.667 -9.755 6.323 1.00 0.00 C ATOM 524 CD1 ILE A 33 2.234 -8.645 3.513 1.00 0.00 C ATOM 0 H ILE A 33 5.086 -10.386 7.390 1.00 0.00 H new ATOM 0 HA ILE A 33 5.641 -8.004 5.760 1.00 0.00 H new ATOM 0 HB ILE A 33 4.255 -9.951 4.885 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.751 -7.310 5.111 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.058 -7.620 3.986 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.895 -10.152 5.663 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.060 -10.558 6.946 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.238 -8.980 6.958 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.876 -7.837 2.874 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.719 -9.405 2.900 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.391 -9.090 4.042 1.00 0.00 H new ATOM 536 N ASP A 34 4.152 -6.401 7.133 1.00 0.00 N ATOM 537 CA ASP A 34 3.367 -5.562 8.005 1.00 0.00 C ATOM 538 C ASP A 34 1.987 -5.639 7.468 1.00 0.00 C ATOM 539 O ASP A 34 1.666 -4.961 6.510 1.00 0.00 O ATOM 540 CB ASP A 34 3.789 -4.093 8.051 1.00 0.00 C ATOM 541 CG ASP A 34 3.066 -3.385 9.201 1.00 0.00 C ATOM 542 OD1 ASP A 34 1.984 -2.819 8.994 1.00 0.00 O ATOM 543 OD2 ASP A 34 3.534 -3.457 10.347 1.00 0.00 O ATOM 0 H ASP A 34 4.514 -5.947 6.295 1.00 0.00 H new ATOM 0 HA ASP A 34 3.488 -5.919 9.028 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.868 -4.018 8.186 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.552 -3.606 7.105 1.00 0.00 H new ATOM 548 N LYS A 35 1.180 -6.485 8.060 1.00 0.00 N ATOM 549 CA LYS A 35 -0.139 -6.831 7.552 1.00 0.00 C ATOM 550 C LYS A 35 -1.111 -5.631 7.554 1.00 0.00 C ATOM 551 O LYS A 35 -2.153 -5.646 6.893 1.00 0.00 O ATOM 552 CB LYS A 35 -0.701 -7.979 8.378 1.00 0.00 C ATOM 553 CG LYS A 35 -1.902 -8.685 7.754 1.00 0.00 C ATOM 554 CD LYS A 35 -2.473 -9.737 8.692 1.00 0.00 C ATOM 555 CE LYS A 35 -1.463 -10.841 8.983 1.00 0.00 C ATOM 556 NZ LYS A 35 -1.969 -11.810 9.971 1.00 0.00 N ATOM 0 H LYS A 35 1.420 -6.966 8.927 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.031 -7.135 6.511 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.089 -8.712 8.542 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.990 -7.597 9.357 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.673 -7.953 7.513 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.604 -9.154 6.816 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.776 -9.265 9.627 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.369 -10.171 8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.219 -11.362 8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.538 -10.397 9.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.250 -12.543 10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.177 -11.319 10.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.837 -12.253 9.609 1.00 0.00 H new ATOM 570 N ASN A 36 -0.748 -4.601 8.266 1.00 0.00 N ATOM 571 CA ASN A 36 -1.560 -3.422 8.395 1.00 0.00 C ATOM 572 C ASN A 36 -1.293 -2.485 7.222 1.00 0.00 C ATOM 573 O ASN A 36 -2.179 -1.749 6.795 1.00 0.00 O ATOM 574 CB ASN A 36 -1.211 -2.677 9.684 1.00 0.00 C ATOM 575 CG ASN A 36 -0.986 -3.571 10.878 1.00 0.00 C ATOM 576 OD1 ASN A 36 -1.915 -3.934 11.590 1.00 0.00 O ATOM 577 ND2 ASN A 36 0.258 -3.901 11.125 1.00 0.00 N ATOM 0 H ASN A 36 0.132 -4.555 8.780 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.607 -3.726 8.412 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.312 -2.084 9.515 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.015 -1.978 9.915 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.481 -4.480 11.934 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.003 -3.579 10.508 1.00 0.00 H new ATOM 584 N ALA A 37 -0.077 -2.578 6.646 1.00 0.00 N ATOM 585 CA ALA A 37 0.380 -1.658 5.603 1.00 0.00 C ATOM 586 C ALA A 37 -0.224 -1.991 4.253 1.00 0.00 C ATOM 587 O ALA A 37 0.006 -1.286 3.266 1.00 0.00 O ATOM 588 CB ALA A 37 1.897 -1.680 5.520 1.00 0.00 C ATOM 0 H ALA A 37 0.608 -3.292 6.895 1.00 0.00 H new ATOM 0 HA ALA A 37 0.046 -0.656 5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.229 -0.993 4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.318 -1.374 6.478 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.234 -2.689 5.281 1.00 0.00 H new ATOM 594 N LEU A 38 -0.994 -3.059 4.232 1.00 0.00 N ATOM 595 CA LEU A 38 -1.664 -3.538 3.046 1.00 0.00 C ATOM 596 C LEU A 38 -2.930 -2.776 2.806 1.00 0.00 C ATOM 597 O LEU A 38 -3.413 -2.730 1.697 1.00 0.00 O ATOM 598 CB LEU A 38 -2.009 -5.032 3.146 1.00 0.00 C ATOM 599 CG LEU A 38 -0.876 -6.048 3.037 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.054 -5.962 4.173 1.00 0.00 C ATOM 601 CD2 LEU A 38 -1.418 -7.436 2.921 1.00 0.00 C ATOM 0 H LEU A 38 -1.174 -3.629 5.058 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.972 -3.388 2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.509 -5.194 4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.734 -5.258 2.364 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.318 -5.807 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.844 -6.703 4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.494 -4.965 4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.486 -6.154 5.100 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.593 -8.144 2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.015 -7.668 3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.043 -7.509 2.031 1.00 0.00 H new ATOM 613 N ASP A 39 -3.482 -2.183 3.847 1.00 0.00 N ATOM 614 CA ASP A 39 -4.708 -1.426 3.708 1.00 0.00 C ATOM 615 C ASP A 39 -4.385 0.005 3.318 1.00 0.00 C ATOM 616 O ASP A 39 -4.444 0.935 4.109 1.00 0.00 O ATOM 617 CB ASP A 39 -5.573 -1.532 4.967 1.00 0.00 C ATOM 618 CG ASP A 39 -6.861 -0.730 4.888 1.00 0.00 C ATOM 619 OD1 ASP A 39 -7.575 -0.804 3.860 1.00 0.00 O ATOM 620 OD2 ASP A 39 -7.204 -0.038 5.862 1.00 0.00 O ATOM 0 H ASP A 39 -3.102 -2.211 4.793 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.309 -1.852 2.905 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.817 -2.580 5.143 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.994 -1.191 5.825 1.00 0.00 H new ATOM 625 N ILE A 40 -3.978 0.127 2.088 1.00 0.00 N ATOM 626 CA ILE A 40 -3.478 1.348 1.505 1.00 0.00 C ATOM 627 C ILE A 40 -4.599 2.341 1.225 1.00 0.00 C ATOM 628 O ILE A 40 -4.432 3.555 1.395 1.00 0.00 O ATOM 629 CB ILE A 40 -2.685 1.016 0.220 1.00 0.00 C ATOM 630 CG1 ILE A 40 -1.626 -0.025 0.571 1.00 0.00 C ATOM 631 CG2 ILE A 40 -2.013 2.277 -0.333 1.00 0.00 C ATOM 632 CD1 ILE A 40 -0.975 -0.681 -0.606 1.00 0.00 C ATOM 0 H ILE A 40 -3.984 -0.653 1.431 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.811 1.828 2.221 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.360 0.629 -0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.855 0.452 1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.086 -0.795 1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.459 2.027 -1.238 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.774 3.022 -0.568 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.328 2.681 0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.238 -1.404 -0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.731 -1.192 -1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.481 0.075 -1.217 1.00 0.00 H new ATOM 644 N ASN A 41 -5.753 1.832 0.847 1.00 0.00 N ATOM 645 CA ASN A 41 -6.878 2.710 0.545 1.00 0.00 C ATOM 646 C ASN A 41 -7.579 3.142 1.843 1.00 0.00 C ATOM 647 O ASN A 41 -8.397 4.058 1.836 1.00 0.00 O ATOM 648 CB ASN A 41 -7.873 2.058 -0.465 1.00 0.00 C ATOM 649 CG ASN A 41 -8.794 1.010 0.134 1.00 0.00 C ATOM 650 OD1 ASN A 41 -8.498 0.410 1.151 1.00 0.00 O ATOM 651 ND2 ASN A 41 -9.868 0.711 -0.527 1.00 0.00 N ATOM 0 H ASN A 41 -5.941 0.835 0.741 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.488 3.603 0.056 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.482 2.844 -0.912 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.301 1.600 -1.272 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.479 -0.036 -0.197 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.103 1.223 -1.377 1.00 0.00 H new ATOM 658 N GLY A 42 -7.209 2.491 2.958 1.00 0.00 N ATOM 659 CA GLY A 42 -7.776 2.807 4.262 1.00 0.00 C ATOM 660 C GLY A 42 -9.252 2.435 4.411 1.00 0.00 C ATOM 661 O GLY A 42 -10.078 3.298 4.672 1.00 0.00 O ATOM 0 H GLY A 42 -6.517 1.742 2.973 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.203 2.288 5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.662 3.875 4.446 1.00 0.00 H new ATOM 665 N ASP A 43 -9.582 1.171 4.233 1.00 0.00 N ATOM 666 CA ASP A 43 -10.982 0.720 4.378 1.00 0.00 C ATOM 667 C ASP A 43 -11.158 -0.251 5.536 1.00 0.00 C ATOM 668 O ASP A 43 -12.287 -0.558 5.923 1.00 0.00 O ATOM 669 CB ASP A 43 -11.611 0.131 3.076 1.00 0.00 C ATOM 670 CG ASP A 43 -10.900 -1.079 2.506 1.00 0.00 C ATOM 671 OD1 ASP A 43 -10.831 -1.243 1.281 1.00 0.00 O ATOM 672 OD2 ASP A 43 -10.283 -1.833 3.216 1.00 0.00 O ATOM 0 H ASP A 43 -8.920 0.434 3.990 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.534 1.634 4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.646 -0.140 3.282 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.631 0.912 2.316 1.00 0.00 H new ATOM 677 N GLY A 44 -10.054 -0.753 6.072 1.00 0.00 N ATOM 678 CA GLY A 44 -10.134 -1.692 7.174 1.00 0.00 C ATOM 679 C GLY A 44 -9.911 -3.135 6.757 1.00 0.00 C ATOM 680 O GLY A 44 -9.825 -4.030 7.608 1.00 0.00 O ATOM 0 H GLY A 44 -9.108 -0.528 5.765 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.394 -1.421 7.927 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.113 -1.605 7.645 1.00 0.00 H new ATOM 684 N ALA A 45 -9.815 -3.369 5.470 1.00 0.00 N ATOM 685 CA ALA A 45 -9.613 -4.703 4.935 1.00 0.00 C ATOM 686 C ALA A 45 -8.534 -4.687 3.855 1.00 0.00 C ATOM 687 O ALA A 45 -8.191 -3.633 3.325 1.00 0.00 O ATOM 688 CB ALA A 45 -10.918 -5.212 4.348 1.00 0.00 C ATOM 0 H ALA A 45 -9.874 -2.640 4.759 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.289 -5.363 5.740 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.770 -6.214 3.945 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.680 -5.243 5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.243 -4.545 3.550 1.00 0.00 H new ATOM 694 N VAL A 46 -7.995 -5.819 3.529 1.00 0.00 N ATOM 695 CA VAL A 46 -7.042 -5.913 2.489 1.00 0.00 C ATOM 696 C VAL A 46 -7.738 -6.472 1.244 1.00 0.00 C ATOM 697 O VAL A 46 -8.180 -7.624 1.237 1.00 0.00 O ATOM 698 CB VAL A 46 -5.883 -6.829 2.902 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.868 -6.856 1.823 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.249 -6.367 4.210 1.00 0.00 C ATOM 0 H VAL A 46 -8.211 -6.705 3.985 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.631 -4.926 2.277 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.276 -7.833 3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.044 -7.507 2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.321 -7.234 0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.491 -5.847 1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.431 -7.037 4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.864 -5.354 4.090 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.998 -6.379 5.002 1.00 0.00 H new ATOM 710 N ASN A 47 -7.877 -5.652 0.230 1.00 0.00 N ATOM 711 CA ASN A 47 -8.529 -6.038 -0.989 1.00 0.00 C ATOM 712 C ASN A 47 -7.733 -5.578 -2.187 1.00 0.00 C ATOM 713 O ASN A 47 -6.703 -4.918 -2.041 1.00 0.00 O ATOM 714 CB ASN A 47 -9.986 -5.517 -1.053 1.00 0.00 C ATOM 715 CG ASN A 47 -10.200 -4.127 -0.462 1.00 0.00 C ATOM 716 OD1 ASN A 47 -9.973 -3.115 -1.104 1.00 0.00 O ATOM 717 ND2 ASN A 47 -10.695 -4.074 0.752 1.00 0.00 N ATOM 0 H ASN A 47 -7.536 -4.691 0.232 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.578 -7.127 -1.007 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.306 -5.506 -2.095 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.631 -6.222 -0.529 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.899 -3.171 1.180 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.876 -4.936 1.267 1.00 0.00 H new ATOM 724 N GLY A 48 -8.221 -5.902 -3.368 1.00 0.00 N ATOM 725 CA GLY A 48 -7.548 -5.564 -4.615 1.00 0.00 C ATOM 726 C GLY A 48 -7.529 -4.084 -4.892 1.00 0.00 C ATOM 727 O GLY A 48 -6.760 -3.611 -5.724 1.00 0.00 O ATOM 0 H GLY A 48 -9.097 -6.408 -3.495 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.524 -5.935 -4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.044 -6.076 -5.439 1.00 0.00 H new ATOM 731 N ARG A 49 -8.363 -3.341 -4.181 1.00 0.00 N ATOM 732 CA ARG A 49 -8.399 -1.901 -4.324 1.00 0.00 C ATOM 733 C ARG A 49 -7.117 -1.328 -3.761 1.00 0.00 C ATOM 734 O ARG A 49 -6.587 -0.360 -4.276 1.00 0.00 O ATOM 735 CB ARG A 49 -9.598 -1.301 -3.606 1.00 0.00 C ATOM 736 CG ARG A 49 -10.890 -2.023 -3.904 1.00 0.00 C ATOM 737 CD ARG A 49 -12.109 -1.249 -3.443 1.00 0.00 C ATOM 738 NE ARG A 49 -12.197 -1.168 -1.977 1.00 0.00 N ATOM 739 CZ ARG A 49 -13.160 -0.516 -1.301 1.00 0.00 C ATOM 740 NH1 ARG A 49 -14.134 0.122 -1.950 1.00 0.00 N ATOM 741 NH2 ARG A 49 -13.141 -0.503 0.018 1.00 0.00 N ATOM 0 H ARG A 49 -9.023 -3.716 -3.500 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.493 -1.653 -5.381 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.417 -1.321 -2.531 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.699 -0.254 -3.893 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.962 -2.203 -4.977 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.878 -2.998 -3.417 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.076 -0.242 -3.859 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.008 -1.726 -3.833 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.475 -1.641 -1.433 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.154 0.119 -2.970 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.859 0.613 -1.427 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.398 -0.986 0.522 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.870 -0.010 0.534 1.00 0.00 H new ATOM 755 N ASP A 50 -6.602 -1.996 -2.725 1.00 0.00 N ATOM 756 CA ASP A 50 -5.359 -1.625 -2.077 1.00 0.00 C ATOM 757 C ASP A 50 -4.216 -1.990 -2.977 1.00 0.00 C ATOM 758 O ASP A 50 -3.248 -1.270 -3.068 1.00 0.00 O ATOM 759 CB ASP A 50 -5.187 -2.372 -0.775 1.00 0.00 C ATOM 760 CG ASP A 50 -6.279 -2.140 0.207 1.00 0.00 C ATOM 761 OD1 ASP A 50 -6.286 -1.133 0.908 1.00 0.00 O ATOM 762 OD2 ASP A 50 -7.203 -2.965 0.337 1.00 0.00 O ATOM 0 H ASP A 50 -7.047 -2.817 -2.315 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.379 -0.554 -1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.124 -3.439 -0.987 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.239 -2.080 -0.324 1.00 0.00 H new ATOM 767 N LEU A 51 -4.360 -3.123 -3.655 1.00 0.00 N ATOM 768 CA LEU A 51 -3.388 -3.584 -4.657 1.00 0.00 C ATOM 769 C LEU A 51 -3.246 -2.549 -5.748 1.00 0.00 C ATOM 770 O LEU A 51 -2.146 -2.184 -6.129 1.00 0.00 O ATOM 771 CB LEU A 51 -3.824 -4.941 -5.252 1.00 0.00 C ATOM 772 CG LEU A 51 -3.108 -5.450 -6.534 1.00 0.00 C ATOM 773 CD1 LEU A 51 -1.610 -5.653 -6.332 1.00 0.00 C ATOM 774 CD2 LEU A 51 -3.741 -6.745 -6.988 1.00 0.00 C ATOM 0 H LEU A 51 -5.152 -3.753 -3.530 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.421 -3.721 -4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.698 -5.699 -4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.891 -4.881 -5.469 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.227 -4.681 -7.297 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.163 -6.009 -7.260 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.150 -4.707 -6.047 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.445 -6.388 -5.544 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.238 -7.100 -7.887 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.647 -7.492 -6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.796 -6.578 -7.205 1.00 0.00 H new ATOM 786 N MET A 52 -4.369 -2.045 -6.209 1.00 0.00 N ATOM 787 CA MET A 52 -4.379 -1.038 -7.252 1.00 0.00 C ATOM 788 C MET A 52 -3.863 0.310 -6.741 1.00 0.00 C ATOM 789 O MET A 52 -3.349 1.115 -7.524 1.00 0.00 O ATOM 790 CB MET A 52 -5.755 -0.930 -7.901 1.00 0.00 C ATOM 791 CG MET A 52 -6.189 -2.232 -8.570 1.00 0.00 C ATOM 792 SD MET A 52 -7.785 -2.133 -9.402 1.00 0.00 S ATOM 793 CE MET A 52 -7.413 -0.956 -10.701 1.00 0.00 C ATOM 0 H MET A 52 -5.294 -2.317 -5.877 1.00 0.00 H new ATOM 0 HA MET A 52 -3.686 -1.356 -8.031 1.00 0.00 H new ATOM 0 HB2 MET A 52 -6.489 -0.651 -7.145 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.742 -0.131 -8.642 1.00 0.00 H new ATOM 0 HG2 MET A 52 -5.430 -2.526 -9.295 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.232 -3.019 -7.817 1.00 0.00 H new ATOM 0 HE1 MET A 52 -8.181 -1.010 -11.472 1.00 0.00 H new ATOM 0 HE2 MET A 52 -7.388 0.051 -10.284 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.443 -1.191 -11.138 1.00 0.00 H new ATOM 803 N GLU A 53 -3.982 0.540 -5.428 1.00 0.00 N ATOM 804 CA GLU A 53 -3.398 1.713 -4.773 1.00 0.00 C ATOM 805 C GLU A 53 -1.895 1.561 -4.703 1.00 0.00 C ATOM 806 O GLU A 53 -1.166 2.505 -4.886 1.00 0.00 O ATOM 807 CB GLU A 53 -3.922 1.895 -3.351 1.00 0.00 C ATOM 808 CG GLU A 53 -5.367 2.311 -3.245 1.00 0.00 C ATOM 809 CD GLU A 53 -5.630 3.654 -3.874 1.00 0.00 C ATOM 810 OE1 GLU A 53 -6.202 3.696 -4.977 1.00 0.00 O ATOM 811 OE2 GLU A 53 -5.263 4.695 -3.283 1.00 0.00 O ATOM 0 H GLU A 53 -4.484 -0.080 -4.793 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.679 2.584 -5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.790 0.958 -2.810 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.308 2.642 -2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.994 1.560 -3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.656 2.343 -2.195 1.00 0.00 H new ATOM 818 N LEU A 54 -1.451 0.361 -4.416 1.00 0.00 N ATOM 819 CA LEU A 54 -0.045 0.046 -4.350 1.00 0.00 C ATOM 820 C LEU A 54 0.602 0.231 -5.708 1.00 0.00 C ATOM 821 O LEU A 54 1.661 0.839 -5.823 1.00 0.00 O ATOM 822 CB LEU A 54 0.143 -1.379 -3.875 1.00 0.00 C ATOM 823 CG LEU A 54 1.566 -1.809 -3.583 1.00 0.00 C ATOM 824 CD1 LEU A 54 2.216 -0.866 -2.587 1.00 0.00 C ATOM 825 CD2 LEU A 54 1.552 -3.206 -3.039 1.00 0.00 C ATOM 0 H LEU A 54 -2.062 -0.432 -4.220 1.00 0.00 H new ATOM 0 HA LEU A 54 0.433 0.723 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.449 -1.518 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.268 -2.048 -4.631 1.00 0.00 H new ATOM 0 HG LEU A 54 2.147 -1.779 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.237 -1.192 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.230 0.144 -2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.648 -0.872 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.573 -3.524 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.964 -3.233 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.109 -3.878 -3.774 1.00 0.00 H new ATOM 837 N ILE A 55 -0.056 -0.281 -6.729 1.00 0.00 N ATOM 838 CA ILE A 55 0.383 -0.112 -8.111 1.00 0.00 C ATOM 839 C ILE A 55 0.418 1.384 -8.452 1.00 0.00 C ATOM 840 O ILE A 55 1.347 1.836 -9.051 1.00 0.00 O ATOM 841 CB ILE A 55 -0.529 -0.905 -9.098 1.00 0.00 C ATOM 842 CG1 ILE A 55 -0.504 -2.405 -8.734 1.00 0.00 C ATOM 843 CG2 ILE A 55 -0.069 -0.702 -10.546 1.00 0.00 C ATOM 844 CD1 ILE A 55 -1.501 -3.264 -9.492 1.00 0.00 C ATOM 0 H ILE A 55 -0.912 -0.827 -6.630 1.00 0.00 H new ATOM 0 HA ILE A 55 1.388 -0.521 -8.218 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.549 -0.530 -9.012 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.499 -2.791 -8.916 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.696 -2.508 -7.666 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.719 -1.264 -11.216 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.117 0.357 -10.798 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.957 -1.055 -10.655 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.408 -4.301 -9.168 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.512 -2.910 -9.291 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.299 -3.198 -10.561 1.00 0.00 H new ATOM 856 N LYS A 56 -0.583 2.123 -7.988 1.00 0.00 N ATOM 857 CA LYS A 56 -0.648 3.597 -8.094 1.00 0.00 C ATOM 858 C LYS A 56 0.608 4.247 -7.488 1.00 0.00 C ATOM 859 O LYS A 56 1.228 5.116 -8.110 1.00 0.00 O ATOM 860 CB LYS A 56 -1.923 4.058 -7.365 1.00 0.00 C ATOM 861 CG LYS A 56 -1.976 5.489 -6.823 1.00 0.00 C ATOM 862 CD LYS A 56 -3.290 5.676 -6.073 1.00 0.00 C ATOM 863 CE LYS A 56 -3.389 7.009 -5.356 1.00 0.00 C ATOM 864 NZ LYS A 56 -4.645 7.100 -4.573 1.00 0.00 N ATOM 0 H LYS A 56 -1.392 1.719 -7.517 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.684 3.903 -9.140 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.761 3.932 -8.050 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.090 3.380 -6.528 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.132 5.674 -6.159 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.901 6.206 -7.640 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.117 5.588 -6.777 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.403 4.871 -5.346 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.533 7.133 -4.693 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.350 7.820 -6.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.547 7.835 -3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.433 7.343 -5.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.837 6.185 -4.118 1.00 0.00 H new ATOM 878 N LYS A 57 0.979 3.791 -6.302 1.00 0.00 N ATOM 879 CA LYS A 57 2.139 4.297 -5.575 1.00 0.00 C ATOM 880 C LYS A 57 3.439 4.001 -6.322 1.00 0.00 C ATOM 881 O LYS A 57 4.227 4.893 -6.593 1.00 0.00 O ATOM 882 CB LYS A 57 2.203 3.665 -4.174 1.00 0.00 C ATOM 883 CG LYS A 57 1.003 3.938 -3.268 1.00 0.00 C ATOM 884 CD LYS A 57 0.801 5.420 -2.977 1.00 0.00 C ATOM 885 CE LYS A 57 1.965 5.988 -2.157 1.00 0.00 C ATOM 886 NZ LYS A 57 1.767 7.414 -1.822 1.00 0.00 N ATOM 0 H LYS A 57 0.479 3.051 -5.809 1.00 0.00 H new ATOM 0 HA LYS A 57 2.028 5.378 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.312 2.586 -4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.102 4.025 -3.674 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.103 3.540 -3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.136 3.404 -2.327 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.712 5.968 -3.915 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.133 5.563 -2.434 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.075 5.412 -1.238 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.893 5.873 -2.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.578 7.756 -1.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.688 7.969 -2.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.896 7.522 -1.264 1.00 0.00 H new ATOM 900 N VAL A 58 3.633 2.752 -6.668 1.00 0.00 N ATOM 901 CA VAL A 58 4.852 2.294 -7.323 1.00 0.00 C ATOM 902 C VAL A 58 4.935 2.748 -8.794 1.00 0.00 C ATOM 903 O VAL A 58 6.020 2.873 -9.352 1.00 0.00 O ATOM 904 CB VAL A 58 4.940 0.765 -7.205 1.00 0.00 C ATOM 905 CG1 VAL A 58 6.227 0.209 -7.817 1.00 0.00 C ATOM 906 CG2 VAL A 58 4.829 0.365 -5.744 1.00 0.00 C ATOM 0 H VAL A 58 2.949 2.013 -6.505 1.00 0.00 H new ATOM 0 HA VAL A 58 5.705 2.749 -6.820 1.00 0.00 H new ATOM 0 HB VAL A 58 4.112 0.336 -7.770 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.242 -0.876 -7.709 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.269 0.469 -8.875 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.088 0.637 -7.304 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.891 -0.720 -5.658 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.642 0.821 -5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.874 0.706 -5.345 1.00 0.00 H new