USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=8 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= 0.955 K(o=2.1,f=-3.6) USER MOD Set 1.2: A 28 LYS NZ :NH3+ 178:sc= 1.17 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0.867 K(o=0.87,f=-2.7!) USER MOD Single : A 14 ASN : amide:sc= 0.623 K(o=0.62,f=-1.6) USER MOD Single : A 20 MET CE :methyl -157:sc= -0.766 (180deg=-1.06) USER MOD Single : A 21 MET CE :methyl -127:sc= -1.72 (180deg=-2.43) 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= 0.0035 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.678 K(o=0.68,f=-0.041) USER MOD Single : A 41 ASN : amide:sc= 0.185 K(o=0.19,f=-2.4!) USER MOD Single : A 47 ASN : amide:sc= -0.327 K(o=-0.33,f=-1.1) USER MOD Single : A 52 MET CE :methyl 159:sc= -0.0915 (180deg=-0.519) USER MOD Single : A 56 LYS NZ :NH3+ 152:sc= 1.27 (180deg=1.16) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 3 3.252 1.636 7.642 1.00 0.00 N ATOM 71 CA ILE A 3 3.295 2.613 6.609 1.00 0.00 C ATOM 72 C ILE A 3 2.529 2.079 5.398 1.00 0.00 C ATOM 73 O ILE A 3 2.961 1.140 4.745 1.00 0.00 O ATOM 74 CB ILE A 3 4.778 3.007 6.284 1.00 0.00 C ATOM 75 CG1 ILE A 3 4.898 3.866 4.997 1.00 0.00 C ATOM 76 CG2 ILE A 3 5.709 1.784 6.285 1.00 0.00 C ATOM 77 CD1 ILE A 3 6.316 4.323 4.670 1.00 0.00 C ATOM 0 HA ILE A 3 2.809 3.534 6.929 1.00 0.00 H new ATOM 0 HB ILE A 3 5.120 3.650 7.094 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.512 3.292 4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.262 4.745 5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.726 2.101 6.056 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.689 1.312 7.267 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.373 1.070 5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.305 4.917 3.756 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.702 4.928 5.491 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.956 3.452 4.529 1.00 0.00 H new ATOM 89 N LEU A 4 1.339 2.631 5.182 1.00 0.00 N ATOM 90 CA LEU A 4 0.444 2.201 4.121 1.00 0.00 C ATOM 91 C LEU A 4 1.098 2.331 2.750 1.00 0.00 C ATOM 92 O LEU A 4 1.376 3.445 2.275 1.00 0.00 O ATOM 93 CB LEU A 4 -0.866 2.997 4.166 1.00 0.00 C ATOM 94 CG LEU A 4 -1.678 2.938 5.473 1.00 0.00 C ATOM 95 CD1 LEU A 4 -3.017 3.642 5.321 1.00 0.00 C ATOM 96 CD2 LEU A 4 -1.863 1.511 5.957 1.00 0.00 C ATOM 0 H LEU A 4 0.968 3.396 5.746 1.00 0.00 H new ATOM 0 HA LEU A 4 0.221 1.147 4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.634 4.042 3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.504 2.645 3.355 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.104 3.468 6.234 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.567 3.584 6.260 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.851 4.688 5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.594 3.160 4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.441 1.512 6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.393 0.935 5.198 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.888 1.059 6.139 1.00 0.00 H new ATOM 108 N GLY A 5 1.338 1.197 2.131 1.00 0.00 N ATOM 109 CA GLY A 5 2.004 1.171 0.862 1.00 0.00 C ATOM 110 C GLY A 5 3.346 0.482 0.955 1.00 0.00 C ATOM 111 O GLY A 5 3.909 0.071 -0.045 1.00 0.00 O ATOM 0 H GLY A 5 1.078 0.280 2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.379 0.656 0.132 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.141 2.190 0.501 1.00 0.00 H new ATOM 115 N ASP A 6 3.852 0.349 2.152 1.00 0.00 N ATOM 116 CA ASP A 6 5.122 -0.277 2.367 1.00 0.00 C ATOM 117 C ASP A 6 4.958 -1.470 3.302 1.00 0.00 C ATOM 118 O ASP A 6 5.048 -1.379 4.521 1.00 0.00 O ATOM 119 CB ASP A 6 6.132 0.745 2.848 1.00 0.00 C ATOM 120 CG ASP A 6 7.486 0.179 3.091 1.00 0.00 C ATOM 121 OD1 ASP A 6 8.008 -0.547 2.224 1.00 0.00 O ATOM 122 OD2 ASP A 6 8.091 0.495 4.106 1.00 0.00 O ATOM 0 H ASP A 6 3.393 0.673 3.003 1.00 0.00 H new ATOM 0 HA ASP A 6 5.515 -0.672 1.430 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.209 1.543 2.109 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.767 1.198 3.770 1.00 0.00 H new ATOM 127 N LEU A 7 4.657 -2.573 2.672 1.00 0.00 N ATOM 128 CA LEU A 7 4.275 -3.826 3.282 1.00 0.00 C ATOM 129 C LEU A 7 5.465 -4.595 3.817 1.00 0.00 C ATOM 130 O LEU A 7 5.361 -5.311 4.815 1.00 0.00 O ATOM 131 CB LEU A 7 3.541 -4.694 2.245 1.00 0.00 C ATOM 132 CG LEU A 7 2.109 -4.286 1.798 1.00 0.00 C ATOM 133 CD1 LEU A 7 2.037 -2.917 1.147 1.00 0.00 C ATOM 134 CD2 LEU A 7 1.585 -5.302 0.841 1.00 0.00 C ATOM 0 H LEU A 7 4.672 -2.628 1.654 1.00 0.00 H new ATOM 0 HA LEU A 7 3.625 -3.594 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.164 -4.737 1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.485 -5.707 2.644 1.00 0.00 H new ATOM 0 HG LEU A 7 1.505 -4.238 2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.007 -2.703 0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.384 -2.161 1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.669 -2.903 0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.581 -5.020 0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.239 -5.353 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.552 -6.277 1.327 1.00 0.00 H new ATOM 146 N ASN A 8 6.583 -4.481 3.134 1.00 0.00 N ATOM 147 CA ASN A 8 7.800 -5.188 3.535 1.00 0.00 C ATOM 148 C ASN A 8 8.622 -4.334 4.475 1.00 0.00 C ATOM 149 O ASN A 8 9.635 -4.785 5.001 1.00 0.00 O ATOM 150 CB ASN A 8 8.646 -5.646 2.317 1.00 0.00 C ATOM 151 CG ASN A 8 9.282 -4.517 1.525 1.00 0.00 C ATOM 152 OD1 ASN A 8 8.771 -3.410 1.455 1.00 0.00 O ATOM 153 ND2 ASN A 8 10.367 -4.798 0.880 1.00 0.00 N ATOM 0 H ASN A 8 6.684 -3.907 2.297 1.00 0.00 H new ATOM 0 HA ASN A 8 7.492 -6.092 4.060 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.433 -6.313 2.669 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.011 -6.227 1.649 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.813 -4.088 0.299 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.777 -5.729 0.953 1.00 0.00 H new ATOM 160 N ASP A 9 8.145 -3.110 4.686 1.00 0.00 N ATOM 161 CA ASP A 9 8.758 -2.129 5.575 1.00 0.00 C ATOM 162 C ASP A 9 10.202 -1.822 5.187 1.00 0.00 C ATOM 163 O ASP A 9 11.169 -2.224 5.855 1.00 0.00 O ATOM 164 CB ASP A 9 8.603 -2.471 7.072 1.00 0.00 C ATOM 165 CG ASP A 9 9.134 -1.373 7.993 1.00 0.00 C ATOM 166 OD1 ASP A 9 8.428 -0.375 8.220 1.00 0.00 O ATOM 167 OD2 ASP A 9 10.264 -1.493 8.527 1.00 0.00 O ATOM 0 H ASP A 9 7.300 -2.765 4.231 1.00 0.00 H new ATOM 0 HA ASP A 9 8.193 -1.208 5.434 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.550 -2.645 7.292 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.130 -3.401 7.283 1.00 0.00 H new ATOM 172 N ASP A 10 10.356 -1.260 4.027 1.00 0.00 N ATOM 173 CA ASP A 10 11.662 -0.874 3.562 1.00 0.00 C ATOM 174 C ASP A 10 11.719 0.613 3.235 1.00 0.00 C ATOM 175 O ASP A 10 12.703 1.108 2.689 1.00 0.00 O ATOM 176 CB ASP A 10 12.210 -1.784 2.437 1.00 0.00 C ATOM 177 CG ASP A 10 11.490 -1.752 1.110 1.00 0.00 C ATOM 178 OD1 ASP A 10 10.504 -1.011 0.924 1.00 0.00 O ATOM 179 OD2 ASP A 10 11.883 -2.529 0.213 1.00 0.00 O ATOM 0 H ASP A 10 9.594 -1.056 3.380 1.00 0.00 H new ATOM 0 HA ASP A 10 12.353 -1.034 4.390 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.252 -1.515 2.262 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.203 -2.812 2.800 1.00 0.00 H new ATOM 184 N GLY A 11 10.654 1.317 3.591 1.00 0.00 N ATOM 185 CA GLY A 11 10.620 2.770 3.526 1.00 0.00 C ATOM 186 C GLY A 11 10.275 3.324 2.185 1.00 0.00 C ATOM 187 O GLY A 11 10.377 4.535 1.968 1.00 0.00 O ATOM 0 H GLY A 11 9.790 0.897 3.933 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.895 3.136 4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.594 3.157 3.825 1.00 0.00 H new ATOM 191 N VAL A 12 9.849 2.482 1.293 1.00 0.00 N ATOM 192 CA VAL A 12 9.586 2.909 -0.055 1.00 0.00 C ATOM 193 C VAL A 12 8.566 2.011 -0.723 1.00 0.00 C ATOM 194 O VAL A 12 8.562 0.786 -0.510 1.00 0.00 O ATOM 195 CB VAL A 12 10.927 2.986 -0.884 1.00 0.00 C ATOM 196 CG1 VAL A 12 11.706 1.679 -0.816 1.00 0.00 C ATOM 197 CG2 VAL A 12 10.686 3.399 -2.336 1.00 0.00 C ATOM 0 H VAL A 12 9.675 1.493 1.471 1.00 0.00 H new ATOM 0 HA VAL A 12 9.158 3.911 -0.020 1.00 0.00 H new ATOM 0 HB VAL A 12 11.533 3.764 -0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.623 1.771 -1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.956 1.458 0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.097 0.871 -1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.638 3.438 -2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 12 10.032 2.672 -2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.216 4.382 -2.361 1.00 0.00 H new ATOM 207 N VAL A 13 7.668 2.619 -1.461 1.00 0.00 N ATOM 208 CA VAL A 13 6.709 1.909 -2.250 1.00 0.00 C ATOM 209 C VAL A 13 7.399 1.317 -3.492 1.00 0.00 C ATOM 210 O VAL A 13 7.708 2.006 -4.472 1.00 0.00 O ATOM 211 CB VAL A 13 5.481 2.799 -2.612 1.00 0.00 C ATOM 212 CG1 VAL A 13 4.647 3.066 -1.365 1.00 0.00 C ATOM 213 CG2 VAL A 13 5.906 4.137 -3.236 1.00 0.00 C ATOM 0 H VAL A 13 7.588 3.634 -1.526 1.00 0.00 H new ATOM 0 HA VAL A 13 6.309 1.084 -1.661 1.00 0.00 H new ATOM 0 HB VAL A 13 4.890 2.255 -3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.791 3.688 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.296 2.120 -0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.257 3.581 -0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.020 4.726 -3.473 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.529 4.686 -2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.472 3.949 -4.149 1.00 0.00 H new ATOM 223 N ASN A 14 7.718 0.064 -3.388 1.00 0.00 N ATOM 224 CA ASN A 14 8.441 -0.630 -4.412 1.00 0.00 C ATOM 225 C ASN A 14 7.736 -1.876 -4.881 1.00 0.00 C ATOM 226 O ASN A 14 6.711 -2.270 -4.327 1.00 0.00 O ATOM 227 CB ASN A 14 9.901 -0.934 -4.022 1.00 0.00 C ATOM 228 CG ASN A 14 10.110 -1.601 -2.667 1.00 0.00 C ATOM 229 OD1 ASN A 14 9.226 -2.242 -2.071 1.00 0.00 O ATOM 230 ND2 ASN A 14 11.290 -1.512 -2.207 1.00 0.00 N ATOM 0 H ASN A 14 7.482 -0.513 -2.581 1.00 0.00 H new ATOM 0 HA ASN A 14 8.474 0.062 -5.253 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.335 -1.575 -4.790 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.461 0.001 -4.034 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.531 -1.972 -1.329 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.997 -0.980 -2.715 1.00 0.00 H new ATOM 237 N GLY A 15 8.331 -2.528 -5.872 1.00 0.00 N ATOM 238 CA GLY A 15 7.774 -3.726 -6.473 1.00 0.00 C ATOM 239 C GLY A 15 7.738 -4.900 -5.522 1.00 0.00 C ATOM 240 O GLY A 15 6.996 -5.849 -5.742 1.00 0.00 O ATOM 0 H GLY A 15 9.219 -2.236 -6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.763 -3.515 -6.820 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.363 -3.994 -7.350 1.00 0.00 H new ATOM 244 N ARG A 16 8.539 -4.822 -4.466 1.00 0.00 N ATOM 245 CA ARG A 16 8.587 -5.841 -3.422 1.00 0.00 C ATOM 246 C ARG A 16 7.243 -5.891 -2.709 1.00 0.00 C ATOM 247 O ARG A 16 6.753 -6.957 -2.346 1.00 0.00 O ATOM 248 CB ARG A 16 9.623 -5.480 -2.373 1.00 0.00 C ATOM 249 CG ARG A 16 11.012 -5.173 -2.880 1.00 0.00 C ATOM 250 CD ARG A 16 11.692 -6.360 -3.515 1.00 0.00 C ATOM 251 NE ARG A 16 13.093 -6.048 -3.791 1.00 0.00 N ATOM 252 CZ ARG A 16 13.983 -6.853 -4.369 1.00 0.00 C ATOM 253 NH1 ARG A 16 13.610 -8.024 -4.898 1.00 0.00 N ATOM 254 NH2 ARG A 16 15.252 -6.460 -4.445 1.00 0.00 N ATOM 0 H ARG A 16 9.179 -4.044 -4.308 1.00 0.00 H new ATOM 0 HA ARG A 16 8.833 -6.794 -3.891 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.262 -4.613 -1.820 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.693 -6.304 -1.663 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.955 -4.364 -3.608 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.622 -4.814 -2.051 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.627 -7.223 -2.853 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.182 -6.629 -4.440 1.00 0.00 H new ATOM 0 HE ARG A 16 13.421 -5.123 -3.514 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.632 -8.311 -4.862 1.00 0.00 H new ATOM 0 HH12 ARG A 16 14.304 -8.629 -5.337 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.529 -5.555 -4.064 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.947 -7.063 -4.884 1.00 0.00 H new ATOM 268 N ASP A 17 6.654 -4.705 -2.515 1.00 0.00 N ATOM 269 CA ASP A 17 5.377 -4.547 -1.831 1.00 0.00 C ATOM 270 C ASP A 17 4.295 -5.228 -2.598 1.00 0.00 C ATOM 271 O ASP A 17 3.458 -5.889 -2.016 1.00 0.00 O ATOM 272 CB ASP A 17 5.019 -3.080 -1.639 1.00 0.00 C ATOM 273 CG ASP A 17 6.023 -2.338 -0.818 1.00 0.00 C ATOM 274 OD1 ASP A 17 6.679 -1.425 -1.321 1.00 0.00 O ATOM 275 OD2 ASP A 17 6.284 -2.697 0.339 1.00 0.00 O ATOM 0 H ASP A 17 7.058 -3.824 -2.833 1.00 0.00 H new ATOM 0 HA ASP A 17 5.474 -5.004 -0.846 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.931 -2.602 -2.615 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.042 -3.009 -1.160 1.00 0.00 H new ATOM 280 N ILE A 18 4.334 -5.063 -3.924 1.00 0.00 N ATOM 281 CA ILE A 18 3.427 -5.741 -4.871 1.00 0.00 C ATOM 282 C ILE A 18 3.407 -7.243 -4.618 1.00 0.00 C ATOM 283 O ILE A 18 2.341 -7.865 -4.590 1.00 0.00 O ATOM 284 CB ILE A 18 3.856 -5.462 -6.368 1.00 0.00 C ATOM 285 CG1 ILE A 18 3.451 -4.071 -6.840 1.00 0.00 C ATOM 286 CG2 ILE A 18 3.304 -6.494 -7.337 1.00 0.00 C ATOM 287 CD1 ILE A 18 4.012 -2.933 -6.076 1.00 0.00 C ATOM 0 H ILE A 18 5.005 -4.446 -4.382 1.00 0.00 H new ATOM 0 HA ILE A 18 2.426 -5.339 -4.712 1.00 0.00 H new ATOM 0 HB ILE A 18 4.944 -5.531 -6.366 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.748 -3.963 -7.883 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.364 -4.002 -6.809 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.629 -6.253 -8.349 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.671 -7.483 -7.063 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.215 -6.487 -7.295 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.654 -1.996 -6.503 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.695 -3.002 -5.035 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.100 -2.962 -6.126 1.00 0.00 H new ATOM 299 N VAL A 19 4.580 -7.794 -4.399 1.00 0.00 N ATOM 300 CA VAL A 19 4.737 -9.210 -4.154 1.00 0.00 C ATOM 301 C VAL A 19 4.039 -9.574 -2.864 1.00 0.00 C ATOM 302 O VAL A 19 3.171 -10.430 -2.863 1.00 0.00 O ATOM 303 CB VAL A 19 6.221 -9.618 -4.055 1.00 0.00 C ATOM 304 CG1 VAL A 19 6.387 -11.132 -4.028 1.00 0.00 C ATOM 305 CG2 VAL A 19 7.024 -8.990 -5.170 1.00 0.00 C ATOM 0 H VAL A 19 5.455 -7.270 -4.386 1.00 0.00 H new ATOM 0 HA VAL A 19 4.296 -9.744 -4.996 1.00 0.00 H new ATOM 0 HB VAL A 19 6.609 -9.240 -3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.446 -11.381 -3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.860 -11.540 -3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.974 -11.560 -4.941 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.068 -9.291 -5.081 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.632 -9.321 -6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.953 -7.904 -5.103 1.00 0.00 H new ATOM 315 N MET A 20 4.369 -8.835 -1.798 1.00 0.00 N ATOM 316 CA MET A 20 3.826 -9.058 -0.441 1.00 0.00 C ATOM 317 C MET A 20 2.295 -8.971 -0.463 1.00 0.00 C ATOM 318 O MET A 20 1.600 -9.790 0.150 1.00 0.00 O ATOM 319 CB MET A 20 4.360 -7.991 0.518 1.00 0.00 C ATOM 320 CG MET A 20 5.873 -7.799 0.501 1.00 0.00 C ATOM 321 SD MET A 20 6.816 -9.146 1.243 1.00 0.00 S ATOM 322 CE MET A 20 6.454 -8.914 2.981 1.00 0.00 C ATOM 0 H MET A 20 5.026 -8.057 -1.847 1.00 0.00 H new ATOM 0 HA MET A 20 4.135 -10.048 -0.106 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.887 -7.039 0.277 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.054 -8.251 1.531 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.197 -7.673 -0.532 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.114 -6.874 1.025 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.242 -9.370 3.581 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.400 -7.848 3.202 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.499 -9.383 3.220 1.00 0.00 H new ATOM 332 N MET A 21 1.809 -7.967 -1.194 1.00 0.00 N ATOM 333 CA MET A 21 0.386 -7.693 -1.434 1.00 0.00 C ATOM 334 C MET A 21 -0.266 -8.938 -1.981 1.00 0.00 C ATOM 335 O MET A 21 -1.165 -9.506 -1.366 1.00 0.00 O ATOM 336 CB MET A 21 0.302 -6.583 -2.494 1.00 0.00 C ATOM 337 CG MET A 21 -1.086 -6.041 -2.894 1.00 0.00 C ATOM 338 SD MET A 21 -1.741 -4.699 -1.861 1.00 0.00 S ATOM 339 CE MET A 21 -2.100 -5.479 -0.313 1.00 0.00 C ATOM 0 H MET A 21 2.419 -7.293 -1.656 1.00 0.00 H new ATOM 0 HA MET A 21 -0.113 -7.393 -0.513 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.895 -5.741 -2.138 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.785 -6.953 -3.398 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.034 -5.688 -3.924 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.796 -6.867 -2.876 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.131 -5.269 -0.030 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.962 -6.556 -0.408 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.428 -5.093 0.453 1.00 0.00 H new ATOM 349 N ARG A 22 0.271 -9.392 -3.101 1.00 0.00 N ATOM 350 CA ARG A 22 -0.212 -10.544 -3.831 1.00 0.00 C ATOM 351 C ARG A 22 -0.134 -11.830 -3.025 1.00 0.00 C ATOM 352 O ARG A 22 -0.963 -12.693 -3.196 1.00 0.00 O ATOM 353 CB ARG A 22 0.539 -10.683 -5.152 1.00 0.00 C ATOM 354 CG ARG A 22 0.163 -9.639 -6.187 1.00 0.00 C ATOM 355 CD ARG A 22 1.041 -9.738 -7.424 1.00 0.00 C ATOM 356 NE ARG A 22 0.589 -8.837 -8.499 1.00 0.00 N ATOM 357 CZ ARG A 22 1.330 -8.439 -9.551 1.00 0.00 C ATOM 358 NH1 ARG A 22 2.583 -8.860 -9.688 1.00 0.00 N ATOM 359 NH2 ARG A 22 0.810 -7.624 -10.465 1.00 0.00 N ATOM 0 H ARG A 22 1.081 -8.952 -3.538 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.269 -10.374 -4.035 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.610 -10.619 -4.958 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.348 -11.674 -5.564 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.882 -9.766 -6.470 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.257 -8.644 -5.752 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.070 -9.496 -7.158 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.039 -10.765 -7.788 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.367 -8.485 -8.441 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.989 -9.488 -8.994 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.139 -8.555 -10.487 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.152 -7.299 -10.370 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.373 -7.324 -11.261 1.00 0.00 H new ATOM 373 N GLN A 23 0.855 -11.943 -2.137 1.00 0.00 N ATOM 374 CA GLN A 23 1.000 -13.124 -1.293 1.00 0.00 C ATOM 375 C GLN A 23 -0.188 -13.257 -0.373 1.00 0.00 C ATOM 376 O GLN A 23 -0.860 -14.284 -0.354 1.00 0.00 O ATOM 377 CB GLN A 23 2.246 -13.027 -0.436 1.00 0.00 C ATOM 378 CG GLN A 23 3.535 -12.835 -1.191 1.00 0.00 C ATOM 379 CD GLN A 23 3.826 -13.959 -2.156 1.00 0.00 C ATOM 380 OE1 GLN A 23 4.477 -14.942 -1.803 1.00 0.00 O ATOM 381 NE2 GLN A 23 3.367 -13.831 -3.369 1.00 0.00 N ATOM 0 H GLN A 23 1.567 -11.228 -1.986 1.00 0.00 H new ATOM 0 HA GLN A 23 1.071 -13.990 -1.951 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.125 -12.196 0.259 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.327 -13.934 0.162 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.492 -11.894 -1.740 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.357 -12.752 -0.480 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.831 -13.002 -3.627 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.544 -14.560 -4.061 1.00 0.00 H new ATOM 390 N TYR A 24 -0.461 -12.203 0.365 1.00 0.00 N ATOM 391 CA TYR A 24 -1.532 -12.206 1.326 1.00 0.00 C ATOM 392 C TYR A 24 -2.880 -12.285 0.623 1.00 0.00 C ATOM 393 O TYR A 24 -3.781 -12.992 1.061 1.00 0.00 O ATOM 394 CB TYR A 24 -1.446 -10.967 2.174 1.00 0.00 C ATOM 395 CG TYR A 24 -2.402 -10.974 3.331 1.00 0.00 C ATOM 396 CD1 TYR A 24 -2.078 -11.601 4.518 1.00 0.00 C ATOM 397 CD2 TYR A 24 -3.633 -10.368 3.224 1.00 0.00 C ATOM 398 CE1 TYR A 24 -2.964 -11.617 5.568 1.00 0.00 C ATOM 399 CE2 TYR A 24 -4.519 -10.373 4.254 1.00 0.00 C ATOM 400 CZ TYR A 24 -4.189 -11.001 5.432 1.00 0.00 C ATOM 401 OH TYR A 24 -5.087 -11.013 6.479 1.00 0.00 O ATOM 0 H TYR A 24 0.054 -11.324 0.313 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.437 -13.083 1.967 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.429 -10.863 2.552 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.645 -10.094 1.552 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.118 -12.084 4.622 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.901 -9.877 2.300 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.702 -12.109 6.493 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.477 -9.886 4.148 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.901 -10.533 6.218 1.00 0.00 H new ATOM 411 N LEU A 25 -2.994 -11.555 -0.463 1.00 0.00 N ATOM 412 CA LEU A 25 -4.205 -11.584 -1.329 1.00 0.00 C ATOM 413 C LEU A 25 -4.480 -12.993 -1.864 1.00 0.00 C ATOM 414 O LEU A 25 -5.635 -13.382 -2.063 1.00 0.00 O ATOM 415 CB LEU A 25 -4.097 -10.616 -2.515 1.00 0.00 C ATOM 416 CG LEU A 25 -4.123 -9.115 -2.211 1.00 0.00 C ATOM 417 CD1 LEU A 25 -3.915 -8.329 -3.486 1.00 0.00 C ATOM 418 CD2 LEU A 25 -5.439 -8.696 -1.564 1.00 0.00 C ATOM 0 H LEU A 25 -2.267 -10.919 -0.791 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.032 -11.267 -0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.170 -10.835 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.915 -10.834 -3.202 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.317 -8.904 -1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.935 -7.262 -3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.951 -8.591 -3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.709 -8.566 -4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.421 -7.625 -1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.265 -8.925 -2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.573 -9.239 -0.628 1.00 0.00 H new ATOM 430 N ALA A 26 -3.424 -13.746 -2.098 1.00 0.00 N ATOM 431 CA ALA A 26 -3.532 -15.127 -2.564 1.00 0.00 C ATOM 432 C ALA A 26 -3.872 -16.072 -1.414 1.00 0.00 C ATOM 433 O ALA A 26 -4.190 -17.241 -1.635 1.00 0.00 O ATOM 434 CB ALA A 26 -2.244 -15.569 -3.227 1.00 0.00 C ATOM 0 H ALA A 26 -2.464 -13.424 -1.973 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.340 -15.166 -3.295 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.345 -16.600 -3.567 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.034 -14.924 -4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.425 -15.502 -2.511 1.00 0.00 H new ATOM 440 N GLY A 27 -3.794 -15.570 -0.201 1.00 0.00 N ATOM 441 CA GLY A 27 -4.110 -16.348 0.952 1.00 0.00 C ATOM 442 C GLY A 27 -2.900 -17.011 1.560 1.00 0.00 C ATOM 443 O GLY A 27 -3.036 -17.990 2.291 1.00 0.00 O ATOM 0 H GLY A 27 -3.509 -14.612 0.002 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.581 -15.708 1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.839 -17.112 0.681 1.00 0.00 H new ATOM 447 N LYS A 28 -1.718 -16.496 1.255 1.00 0.00 N ATOM 448 CA LYS A 28 -0.485 -17.036 1.792 1.00 0.00 C ATOM 449 C LYS A 28 -0.142 -16.321 3.089 1.00 0.00 C ATOM 450 O LYS A 28 -0.592 -15.196 3.327 1.00 0.00 O ATOM 451 CB LYS A 28 0.686 -16.842 0.813 1.00 0.00 C ATOM 452 CG LYS A 28 0.453 -17.378 -0.594 1.00 0.00 C ATOM 453 CD LYS A 28 1.681 -17.170 -1.492 1.00 0.00 C ATOM 454 CE LYS A 28 2.900 -17.939 -0.985 1.00 0.00 C ATOM 455 NZ LYS A 28 4.089 -17.749 -1.847 1.00 0.00 N ATOM 0 H LYS A 28 -1.590 -15.698 0.633 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.635 -18.102 1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.910 -15.777 0.746 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.569 -17.328 1.228 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.215 -18.440 -0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.409 -16.878 -1.035 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.446 -17.492 -2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.918 -16.107 -1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.135 -17.614 0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.660 -19.001 -0.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.897 -18.263 -1.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.889 -18.114 -2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.317 -16.736 -1.905 1.00 0.00 H new ATOM 469 N THR A 29 0.647 -16.963 3.902 1.00 0.00 N ATOM 470 CA THR A 29 1.129 -16.373 5.119 1.00 0.00 C ATOM 471 C THR A 29 2.480 -15.755 4.797 1.00 0.00 C ATOM 472 O THR A 29 3.427 -16.472 4.473 1.00 0.00 O ATOM 473 CB THR A 29 1.292 -17.443 6.218 1.00 0.00 C ATOM 474 OG1 THR A 29 0.060 -18.165 6.349 1.00 0.00 O ATOM 475 CG2 THR A 29 1.634 -16.803 7.560 1.00 0.00 C ATOM 0 H THR A 29 0.976 -17.915 3.739 1.00 0.00 H new ATOM 0 HA THR A 29 0.425 -15.627 5.490 1.00 0.00 H new ATOM 0 HB THR A 29 2.105 -18.112 5.934 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.154 -18.849 7.044 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.743 -17.580 8.316 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.569 -16.249 7.471 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.835 -16.122 7.852 1.00 0.00 H new ATOM 483 N VAL A 30 2.564 -14.453 4.839 1.00 0.00 N ATOM 484 CA VAL A 30 3.774 -13.788 4.442 1.00 0.00 C ATOM 485 C VAL A 30 4.604 -13.505 5.683 1.00 0.00 C ATOM 486 O VAL A 30 4.143 -12.806 6.591 1.00 0.00 O ATOM 487 CB VAL A 30 3.479 -12.454 3.722 1.00 0.00 C ATOM 488 CG1 VAL A 30 4.624 -12.070 2.806 1.00 0.00 C ATOM 489 CG2 VAL A 30 2.156 -12.483 2.973 1.00 0.00 C ATOM 0 H VAL A 30 1.812 -13.834 5.143 1.00 0.00 H new ATOM 0 HA VAL A 30 4.312 -14.436 3.750 1.00 0.00 H new ATOM 0 HB VAL A 30 3.386 -11.687 4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.393 -11.127 2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.536 -11.958 3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.767 -12.848 2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.994 -11.523 2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.180 -13.273 2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.344 -12.674 3.675 1.00 0.00 H new ATOM 499 N SER A 31 5.771 -14.083 5.752 1.00 0.00 N ATOM 500 CA SER A 31 6.646 -13.888 6.866 1.00 0.00 C ATOM 501 C SER A 31 7.343 -12.523 6.812 1.00 0.00 C ATOM 502 O SER A 31 8.069 -12.211 5.858 1.00 0.00 O ATOM 503 CB SER A 31 7.630 -15.064 6.987 1.00 0.00 C ATOM 504 OG SER A 31 8.273 -15.348 5.746 1.00 0.00 O ATOM 0 H SER A 31 6.140 -14.704 5.032 1.00 0.00 H new ATOM 0 HA SER A 31 6.048 -13.875 7.777 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.382 -14.832 7.741 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.096 -15.950 7.331 1.00 0.00 H new ATOM 0 HG SER A 31 8.891 -16.099 5.862 1.00 0.00 H new ATOM 510 N GLY A 32 7.082 -11.703 7.806 1.00 0.00 N ATOM 511 CA GLY A 32 7.708 -10.413 7.883 1.00 0.00 C ATOM 512 C GLY A 32 6.956 -9.351 7.117 1.00 0.00 C ATOM 513 O GLY A 32 7.562 -8.406 6.599 1.00 0.00 O ATOM 0 H GLY A 32 6.439 -11.912 8.570 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.786 -10.114 8.928 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.724 -10.484 7.495 1.00 0.00 H new ATOM 517 N ILE A 33 5.655 -9.494 7.021 1.00 0.00 N ATOM 518 CA ILE A 33 4.859 -8.504 6.356 1.00 0.00 C ATOM 519 C ILE A 33 4.191 -7.644 7.405 1.00 0.00 C ATOM 520 O ILE A 33 3.848 -8.143 8.501 1.00 0.00 O ATOM 521 CB ILE A 33 3.775 -9.158 5.414 1.00 0.00 C ATOM 522 CG1 ILE A 33 3.145 -8.104 4.495 1.00 0.00 C ATOM 523 CG2 ILE A 33 2.674 -9.873 6.216 1.00 0.00 C ATOM 524 CD1 ILE A 33 2.223 -8.697 3.444 1.00 0.00 C ATOM 0 H ILE A 33 5.132 -10.285 7.395 1.00 0.00 H new ATOM 0 HA ILE A 33 5.507 -7.898 5.723 1.00 0.00 H new ATOM 0 HB ILE A 33 4.289 -9.903 4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.584 -7.393 5.101 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.938 -7.544 3.999 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.949 -10.309 5.529 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.119 -10.662 6.822 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.173 -9.155 6.866 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.811 -7.897 2.828 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.785 -9.387 2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.410 -9.233 3.934 1.00 0.00 H new ATOM 536 N ASP A 34 4.049 -6.369 7.147 1.00 0.00 N ATOM 537 CA ASP A 34 3.279 -5.571 8.062 1.00 0.00 C ATOM 538 C ASP A 34 1.881 -5.647 7.577 1.00 0.00 C ATOM 539 O ASP A 34 1.511 -4.931 6.663 1.00 0.00 O ATOM 540 CB ASP A 34 3.696 -4.099 8.151 1.00 0.00 C ATOM 541 CG ASP A 34 3.130 -3.473 9.419 1.00 0.00 C ATOM 542 OD1 ASP A 34 3.803 -3.540 10.470 1.00 0.00 O ATOM 543 OD2 ASP A 34 1.990 -2.970 9.418 1.00 0.00 O ATOM 0 H ASP A 34 4.440 -5.877 6.343 1.00 0.00 H new ATOM 0 HA ASP A 34 3.430 -5.964 9.067 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.783 -4.020 8.150 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.336 -3.557 7.276 1.00 0.00 H new ATOM 548 N LYS A 35 1.122 -6.565 8.145 1.00 0.00 N ATOM 549 CA LYS A 35 -0.237 -6.873 7.721 1.00 0.00 C ATOM 550 C LYS A 35 -1.171 -5.644 7.727 1.00 0.00 C ATOM 551 O LYS A 35 -2.147 -5.574 6.969 1.00 0.00 O ATOM 552 CB LYS A 35 -0.779 -8.049 8.563 1.00 0.00 C ATOM 553 CG LYS A 35 -2.172 -8.522 8.195 1.00 0.00 C ATOM 554 CD LYS A 35 -3.240 -7.910 9.082 1.00 0.00 C ATOM 555 CE LYS A 35 -4.626 -8.284 8.608 1.00 0.00 C ATOM 556 NZ LYS A 35 -5.680 -7.822 9.545 1.00 0.00 N ATOM 0 H LYS A 35 1.437 -7.132 8.932 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.208 -7.179 6.675 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.091 -8.889 8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.779 -7.753 9.612 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.377 -8.268 7.155 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.217 -9.608 8.272 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.101 -8.248 10.109 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.135 -6.825 9.086 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.801 -7.850 7.623 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.690 -9.366 8.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.614 -8.100 9.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.529 -8.255 10.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.637 -6.787 9.633 1.00 0.00 H new ATOM 570 N ASN A 36 -0.826 -4.672 8.515 1.00 0.00 N ATOM 571 CA ASN A 36 -1.606 -3.474 8.665 1.00 0.00 C ATOM 572 C ASN A 36 -1.343 -2.516 7.492 1.00 0.00 C ATOM 573 O ASN A 36 -2.204 -1.711 7.145 1.00 0.00 O ATOM 574 CB ASN A 36 -1.228 -2.756 9.967 1.00 0.00 C ATOM 575 CG ASN A 36 -1.034 -3.666 11.157 1.00 0.00 C ATOM 576 OD1 ASN A 36 -1.976 -3.995 11.882 1.00 0.00 O ATOM 577 ND2 ASN A 36 0.202 -4.043 11.400 1.00 0.00 N ATOM 0 H ASN A 36 0.021 -4.686 9.084 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.659 -3.757 8.686 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.308 -2.195 9.802 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.006 -2.030 10.205 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.407 -4.627 12.211 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.956 -3.751 10.778 1.00 0.00 H new ATOM 584 N ALA A 37 -0.173 -2.656 6.841 1.00 0.00 N ATOM 585 CA ALA A 37 0.265 -1.722 5.788 1.00 0.00 C ATOM 586 C ALA A 37 -0.325 -2.070 4.439 1.00 0.00 C ATOM 587 O ALA A 37 -0.096 -1.362 3.455 1.00 0.00 O ATOM 588 CB ALA A 37 1.785 -1.696 5.697 1.00 0.00 C ATOM 0 H ALA A 37 0.488 -3.410 7.027 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.098 -0.732 6.065 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.091 -1.001 4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.201 -1.374 6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.152 -2.694 5.460 1.00 0.00 H new ATOM 594 N LEU A 38 -1.081 -3.153 4.404 1.00 0.00 N ATOM 595 CA LEU A 38 -1.705 -3.635 3.181 1.00 0.00 C ATOM 596 C LEU A 38 -2.933 -2.855 2.836 1.00 0.00 C ATOM 597 O LEU A 38 -3.287 -2.759 1.683 1.00 0.00 O ATOM 598 CB LEU A 38 -2.079 -5.120 3.253 1.00 0.00 C ATOM 599 CG LEU A 38 -0.961 -6.148 3.138 1.00 0.00 C ATOM 600 CD1 LEU A 38 -0.045 -6.099 4.289 1.00 0.00 C ATOM 601 CD2 LEU A 38 -1.532 -7.517 2.989 1.00 0.00 C ATOM 0 H LEU A 38 -1.281 -3.726 5.224 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.952 -3.498 2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.591 -5.289 4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.800 -5.321 2.460 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.381 -5.901 2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.736 -6.849 4.165 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.408 -5.110 4.351 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.600 -6.302 5.205 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.722 -8.242 2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.144 -7.753 3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.148 -7.559 2.091 1.00 0.00 H new ATOM 613 N ASP A 39 -3.591 -2.303 3.827 1.00 0.00 N ATOM 614 CA ASP A 39 -4.801 -1.551 3.579 1.00 0.00 C ATOM 615 C ASP A 39 -4.454 -0.107 3.269 1.00 0.00 C ATOM 616 O ASP A 39 -4.519 0.787 4.107 1.00 0.00 O ATOM 617 CB ASP A 39 -5.784 -1.709 4.722 1.00 0.00 C ATOM 618 CG ASP A 39 -7.076 -0.948 4.544 1.00 0.00 C ATOM 619 OD1 ASP A 39 -7.683 -0.975 3.452 1.00 0.00 O ATOM 620 OD2 ASP A 39 -7.545 -0.368 5.513 1.00 0.00 O ATOM 0 H ASP A 39 -3.313 -2.359 4.807 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.309 -1.950 2.701 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.014 -2.768 4.844 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.306 -1.379 5.644 1.00 0.00 H new ATOM 625 N ILE A 40 -4.022 0.061 2.055 1.00 0.00 N ATOM 626 CA ILE A 40 -3.477 1.283 1.524 1.00 0.00 C ATOM 627 C ILE A 40 -4.553 2.334 1.275 1.00 0.00 C ATOM 628 O ILE A 40 -4.323 3.531 1.484 1.00 0.00 O ATOM 629 CB ILE A 40 -2.677 0.967 0.232 1.00 0.00 C ATOM 630 CG1 ILE A 40 -1.624 -0.090 0.567 1.00 0.00 C ATOM 631 CG2 ILE A 40 -1.995 2.227 -0.305 1.00 0.00 C ATOM 632 CD1 ILE A 40 -1.031 -0.787 -0.616 1.00 0.00 C ATOM 0 H ILE A 40 -4.040 -0.691 1.367 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.804 1.713 2.266 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.356 0.598 -0.537 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.821 0.385 1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.075 -0.836 1.221 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.440 1.982 -1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.749 2.980 -0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.309 2.618 0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.296 -1.517 -0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.819 -1.296 -1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.545 -0.056 -1.263 1.00 0.00 H new ATOM 644 N ASN A 41 -5.736 1.906 0.879 1.00 0.00 N ATOM 645 CA ASN A 41 -6.805 2.868 0.631 1.00 0.00 C ATOM 646 C ASN A 41 -7.507 3.228 1.948 1.00 0.00 C ATOM 647 O ASN A 41 -8.355 4.120 1.987 1.00 0.00 O ATOM 648 CB ASN A 41 -7.814 2.367 -0.435 1.00 0.00 C ATOM 649 CG ASN A 41 -8.802 1.326 0.057 1.00 0.00 C ATOM 650 OD1 ASN A 41 -8.539 0.568 0.981 1.00 0.00 O ATOM 651 ND2 ASN A 41 -9.924 1.243 -0.595 1.00 0.00 N ATOM 0 H ASN A 41 -5.983 0.929 0.724 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.352 3.770 0.220 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.371 3.223 -0.817 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.256 1.949 -1.273 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.611 0.533 -0.340 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.117 1.888 -1.361 1.00 0.00 H new ATOM 658 N GLY A 42 -7.119 2.522 3.018 1.00 0.00 N ATOM 659 CA GLY A 42 -7.657 2.757 4.340 1.00 0.00 C ATOM 660 C GLY A 42 -9.149 2.502 4.444 1.00 0.00 C ATOM 661 O GLY A 42 -9.915 3.397 4.832 1.00 0.00 O ATOM 0 H GLY A 42 -6.424 1.776 2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.137 2.117 5.053 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.452 3.788 4.628 1.00 0.00 H new ATOM 665 N ASP A 43 -9.573 1.303 4.132 1.00 0.00 N ATOM 666 CA ASP A 43 -10.994 0.974 4.213 1.00 0.00 C ATOM 667 C ASP A 43 -11.269 0.006 5.348 1.00 0.00 C ATOM 668 O ASP A 43 -12.410 -0.155 5.766 1.00 0.00 O ATOM 669 CB ASP A 43 -11.610 0.458 2.870 1.00 0.00 C ATOM 670 CG ASP A 43 -10.994 -0.819 2.309 1.00 0.00 C ATOM 671 OD1 ASP A 43 -10.825 -0.949 1.092 1.00 0.00 O ATOM 672 OD2 ASP A 43 -10.580 -1.682 3.036 1.00 0.00 O ATOM 0 H ASP A 43 -8.972 0.540 3.822 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.499 1.917 4.423 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.676 0.289 3.022 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.515 1.245 2.122 1.00 0.00 H new ATOM 677 N GLY A 44 -10.221 -0.612 5.855 1.00 0.00 N ATOM 678 CA GLY A 44 -10.357 -1.562 6.928 1.00 0.00 C ATOM 679 C GLY A 44 -10.257 -3.014 6.481 1.00 0.00 C ATOM 680 O GLY A 44 -10.436 -3.918 7.290 1.00 0.00 O ATOM 0 H GLY A 44 -9.263 -0.469 5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.585 -1.367 7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.319 -1.408 7.417 1.00 0.00 H new ATOM 684 N ALA A 45 -9.975 -3.242 5.213 1.00 0.00 N ATOM 685 CA ALA A 45 -9.844 -4.599 4.679 1.00 0.00 C ATOM 686 C ALA A 45 -8.788 -4.659 3.591 1.00 0.00 C ATOM 687 O ALA A 45 -8.606 -3.699 2.850 1.00 0.00 O ATOM 688 CB ALA A 45 -11.176 -5.083 4.129 1.00 0.00 C ATOM 0 H ALA A 45 -9.830 -2.505 4.523 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.535 -5.250 5.497 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.062 -6.093 3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.919 -5.086 4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.503 -4.418 3.330 1.00 0.00 H new ATOM 694 N VAL A 46 -8.115 -5.780 3.482 1.00 0.00 N ATOM 695 CA VAL A 46 -7.101 -5.988 2.502 1.00 0.00 C ATOM 696 C VAL A 46 -7.753 -6.528 1.238 1.00 0.00 C ATOM 697 O VAL A 46 -8.183 -7.686 1.183 1.00 0.00 O ATOM 698 CB VAL A 46 -6.047 -6.981 3.009 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.986 -7.168 1.973 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.437 -6.515 4.324 1.00 0.00 C ATOM 0 H VAL A 46 -8.268 -6.584 4.090 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.601 -5.042 2.295 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.536 -7.937 3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.241 -7.874 2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.435 -7.556 1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.508 -6.211 1.765 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.694 -7.240 4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.960 -5.546 4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.220 -6.426 5.077 1.00 0.00 H new ATOM 710 N ASN A 47 -7.877 -5.676 0.275 1.00 0.00 N ATOM 711 CA ASN A 47 -8.553 -5.984 -0.956 1.00 0.00 C ATOM 712 C ASN A 47 -7.813 -5.480 -2.182 1.00 0.00 C ATOM 713 O ASN A 47 -6.780 -4.820 -2.067 1.00 0.00 O ATOM 714 CB ASN A 47 -10.021 -5.516 -0.902 1.00 0.00 C ATOM 715 CG ASN A 47 -10.254 -4.146 -0.248 1.00 0.00 C ATOM 716 OD1 ASN A 47 -9.459 -3.202 -0.361 1.00 0.00 O ATOM 717 ND2 ASN A 47 -11.319 -4.051 0.484 1.00 0.00 N ATOM 0 H ASN A 47 -7.507 -4.726 0.316 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.560 -7.069 -1.063 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.412 -5.485 -1.919 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.602 -6.262 -0.360 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.519 -3.185 0.984 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.958 -4.843 0.560 1.00 0.00 H new ATOM 724 N GLY A 48 -8.362 -5.778 -3.367 1.00 0.00 N ATOM 725 CA GLY A 48 -7.743 -5.392 -4.636 1.00 0.00 C ATOM 726 C GLY A 48 -7.685 -3.896 -4.837 1.00 0.00 C ATOM 727 O GLY A 48 -6.891 -3.408 -5.626 1.00 0.00 O ATOM 0 H GLY A 48 -9.239 -6.288 -3.470 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.732 -5.798 -4.678 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.301 -5.841 -5.457 1.00 0.00 H new ATOM 731 N ARG A 49 -8.526 -3.171 -4.112 1.00 0.00 N ATOM 732 CA ARG A 49 -8.506 -1.709 -4.107 1.00 0.00 C ATOM 733 C ARG A 49 -7.143 -1.221 -3.644 1.00 0.00 C ATOM 734 O ARG A 49 -6.580 -0.295 -4.215 1.00 0.00 O ATOM 735 CB ARG A 49 -9.541 -1.187 -3.132 1.00 0.00 C ATOM 736 CG ARG A 49 -10.994 -1.457 -3.481 1.00 0.00 C ATOM 737 CD ARG A 49 -11.543 -0.478 -4.531 1.00 0.00 C ATOM 738 NE ARG A 49 -10.921 -0.622 -5.854 1.00 0.00 N ATOM 739 CZ ARG A 49 -10.487 0.395 -6.625 1.00 0.00 C ATOM 740 NH1 ARG A 49 -10.544 1.657 -6.189 1.00 0.00 N ATOM 741 NH2 ARG A 49 -9.983 0.144 -7.826 1.00 0.00 N ATOM 0 H ARG A 49 -9.242 -3.577 -3.510 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.719 -1.353 -5.115 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.338 -1.622 -2.153 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.407 -0.110 -3.036 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.090 -2.476 -3.855 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.599 -1.391 -2.577 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.619 -0.627 -4.627 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.393 0.542 -4.178 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.808 -1.568 -6.219 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.919 1.860 -5.263 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.212 2.417 -6.783 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.925 -0.817 -8.164 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.654 0.912 -8.412 1.00 0.00 H new ATOM 755 N ASP A 50 -6.618 -1.896 -2.622 1.00 0.00 N ATOM 756 CA ASP A 50 -5.329 -1.572 -2.012 1.00 0.00 C ATOM 757 C ASP A 50 -4.226 -1.898 -2.952 1.00 0.00 C ATOM 758 O ASP A 50 -3.273 -1.165 -3.060 1.00 0.00 O ATOM 759 CB ASP A 50 -5.111 -2.367 -0.748 1.00 0.00 C ATOM 760 CG ASP A 50 -6.177 -2.167 0.255 1.00 0.00 C ATOM 761 OD1 ASP A 50 -6.896 -3.108 0.596 1.00 0.00 O ATOM 762 OD2 ASP A 50 -6.407 -1.050 0.694 1.00 0.00 O ATOM 0 H ASP A 50 -7.082 -2.694 -2.189 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.335 -0.507 -1.778 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.050 -3.426 -0.998 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.152 -2.087 -0.311 1.00 0.00 H new ATOM 767 N LEU A 51 -4.387 -3.013 -3.643 1.00 0.00 N ATOM 768 CA LEU A 51 -3.444 -3.464 -4.658 1.00 0.00 C ATOM 769 C LEU A 51 -3.330 -2.420 -5.736 1.00 0.00 C ATOM 770 O LEU A 51 -2.242 -2.057 -6.143 1.00 0.00 O ATOM 771 CB LEU A 51 -3.918 -4.790 -5.262 1.00 0.00 C ATOM 772 CG LEU A 51 -3.202 -5.286 -6.538 1.00 0.00 C ATOM 773 CD1 LEU A 51 -1.709 -5.512 -6.320 1.00 0.00 C ATOM 774 CD2 LEU A 51 -3.845 -6.556 -7.004 1.00 0.00 C ATOM 0 H LEU A 51 -5.183 -3.638 -3.516 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.467 -3.617 -4.199 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.820 -5.562 -4.499 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.981 -4.697 -5.486 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.301 -4.509 -7.296 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.254 -5.860 -7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.240 -4.577 -6.015 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.564 -6.261 -5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.342 -6.909 -7.904 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.765 -7.312 -6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.897 -6.372 -7.224 1.00 0.00 H new ATOM 786 N MET A 52 -4.463 -1.918 -6.163 1.00 0.00 N ATOM 787 CA MET A 52 -4.507 -0.894 -7.180 1.00 0.00 C ATOM 788 C MET A 52 -3.904 0.418 -6.684 1.00 0.00 C ATOM 789 O MET A 52 -3.263 1.131 -7.444 1.00 0.00 O ATOM 790 CB MET A 52 -5.912 -0.712 -7.719 1.00 0.00 C ATOM 791 CG MET A 52 -6.437 -1.953 -8.418 1.00 0.00 C ATOM 792 SD MET A 52 -7.963 -1.673 -9.318 1.00 0.00 S ATOM 793 CE MET A 52 -7.374 -0.620 -10.648 1.00 0.00 C ATOM 0 H MET A 52 -5.378 -2.206 -5.817 1.00 0.00 H new ATOM 0 HA MET A 52 -3.887 -1.228 -8.012 1.00 0.00 H new ATOM 0 HB2 MET A 52 -6.581 -0.452 -6.898 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.923 0.125 -8.417 1.00 0.00 H new ATOM 0 HG2 MET A 52 -5.678 -2.320 -9.109 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.599 -2.737 -7.678 1.00 0.00 H new ATOM 0 HE1 MET A 52 -8.077 -0.657 -11.480 1.00 0.00 H new ATOM 0 HE2 MET A 52 -7.290 0.406 -10.290 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.397 -0.969 -10.983 1.00 0.00 H new ATOM 803 N GLU A 53 -4.074 0.697 -5.395 1.00 0.00 N ATOM 804 CA GLU A 53 -3.451 1.855 -4.764 1.00 0.00 C ATOM 805 C GLU A 53 -1.946 1.667 -4.712 1.00 0.00 C ATOM 806 O GLU A 53 -1.196 2.603 -4.881 1.00 0.00 O ATOM 807 CB GLU A 53 -3.968 2.074 -3.344 1.00 0.00 C ATOM 808 CG GLU A 53 -5.407 2.551 -3.244 1.00 0.00 C ATOM 809 CD GLU A 53 -5.636 3.889 -3.915 1.00 0.00 C ATOM 810 OE1 GLU A 53 -6.098 3.924 -5.053 1.00 0.00 O ATOM 811 OE2 GLU A 53 -5.358 4.928 -3.303 1.00 0.00 O ATOM 0 H GLU A 53 -4.642 0.132 -4.764 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.706 2.729 -5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.873 1.139 -2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.326 2.803 -2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.063 1.807 -3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.687 2.625 -2.193 1.00 0.00 H new ATOM 818 N LEU A 54 -1.525 0.451 -4.460 1.00 0.00 N ATOM 819 CA LEU A 54 -0.126 0.101 -4.418 1.00 0.00 C ATOM 820 C LEU A 54 0.505 0.252 -5.795 1.00 0.00 C ATOM 821 O LEU A 54 1.598 0.787 -5.925 1.00 0.00 O ATOM 822 CB LEU A 54 0.033 -1.320 -3.924 1.00 0.00 C ATOM 823 CG LEU A 54 1.451 -1.779 -3.621 1.00 0.00 C ATOM 824 CD1 LEU A 54 2.126 -0.825 -2.649 1.00 0.00 C ATOM 825 CD2 LEU A 54 1.414 -3.166 -3.041 1.00 0.00 C ATOM 0 H LEU A 54 -2.152 -0.332 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 54 0.383 0.777 -3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.563 -1.435 -3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.390 -1.990 -4.672 1.00 0.00 H new ATOM 0 HG LEU A 54 2.026 -1.787 -4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.139 -1.170 -2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.164 0.173 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.559 -0.792 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.430 -3.497 -2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.829 -3.160 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.956 -3.848 -3.758 1.00 0.00 H new ATOM 837 N ILE A 55 -0.199 -0.220 -6.810 1.00 0.00 N ATOM 838 CA ILE A 55 0.230 -0.071 -8.209 1.00 0.00 C ATOM 839 C ILE A 55 0.364 1.412 -8.523 1.00 0.00 C ATOM 840 O ILE A 55 1.326 1.827 -9.098 1.00 0.00 O ATOM 841 CB ILE A 55 -0.767 -0.745 -9.198 1.00 0.00 C ATOM 842 CG1 ILE A 55 -0.886 -2.246 -8.888 1.00 0.00 C ATOM 843 CG2 ILE A 55 -0.325 -0.535 -10.652 1.00 0.00 C ATOM 844 CD1 ILE A 55 -1.961 -2.965 -9.678 1.00 0.00 C ATOM 0 H ILE A 55 -1.083 -0.717 -6.699 1.00 0.00 H new ATOM 0 HA ILE A 55 1.190 -0.572 -8.334 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.744 -0.278 -9.070 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.074 -2.723 -9.086 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.090 -2.370 -7.824 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.038 -1.015 -11.322 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.285 0.532 -10.870 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.662 -0.973 -10.799 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.976 -4.018 -9.397 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.931 -2.518 -9.462 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.750 -2.877 -10.744 1.00 0.00 H new ATOM 856 N LYS A 56 -0.607 2.182 -8.090 1.00 0.00 N ATOM 857 CA LYS A 56 -0.608 3.652 -8.160 1.00 0.00 C ATOM 858 C LYS A 56 0.664 4.252 -7.528 1.00 0.00 C ATOM 859 O LYS A 56 1.286 5.144 -8.097 1.00 0.00 O ATOM 860 CB LYS A 56 -1.871 4.126 -7.440 1.00 0.00 C ATOM 861 CG LYS A 56 -1.891 5.537 -6.870 1.00 0.00 C ATOM 862 CD LYS A 56 -3.208 5.728 -6.149 1.00 0.00 C ATOM 863 CE LYS A 56 -3.299 7.031 -5.403 1.00 0.00 C ATOM 864 NZ LYS A 56 -4.595 7.139 -4.713 1.00 0.00 N ATOM 0 H LYS A 56 -1.453 1.805 -7.663 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.608 3.987 -9.197 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.704 4.037 -8.137 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.066 3.434 -6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.056 5.684 -6.185 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.782 6.272 -7.667 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.021 5.675 -6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.352 4.906 -5.448 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.487 7.100 -4.679 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.179 7.863 -6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.491 7.740 -3.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.296 7.561 -5.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.915 6.192 -4.425 1.00 0.00 H new ATOM 878 N LYS A 57 1.048 3.724 -6.387 1.00 0.00 N ATOM 879 CA LYS A 57 2.221 4.180 -5.662 1.00 0.00 C ATOM 880 C LYS A 57 3.514 3.843 -6.414 1.00 0.00 C ATOM 881 O LYS A 57 4.363 4.700 -6.616 1.00 0.00 O ATOM 882 CB LYS A 57 2.268 3.537 -4.265 1.00 0.00 C ATOM 883 CG LYS A 57 1.083 3.839 -3.343 1.00 0.00 C ATOM 884 CD LYS A 57 0.932 5.318 -3.017 1.00 0.00 C ATOM 885 CE LYS A 57 2.160 5.847 -2.268 1.00 0.00 C ATOM 886 NZ LYS A 57 2.007 7.241 -1.805 1.00 0.00 N ATOM 0 H LYS A 57 0.553 2.959 -5.929 1.00 0.00 H new ATOM 0 HA LYS A 57 2.146 5.263 -5.569 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.341 2.456 -4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.181 3.864 -3.768 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.166 3.483 -3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.203 3.280 -2.415 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.792 5.884 -3.938 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.039 5.470 -2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.357 5.206 -1.409 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.031 5.782 -2.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.870 7.538 -1.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.848 7.863 -2.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.195 7.305 -1.158 1.00 0.00 H new ATOM 900 N VAL A 58 3.632 2.606 -6.835 1.00 0.00 N ATOM 901 CA VAL A 58 4.844 2.087 -7.470 1.00 0.00 C ATOM 902 C VAL A 58 4.904 2.398 -8.988 1.00 0.00 C ATOM 903 O VAL A 58 5.939 2.243 -9.653 1.00 0.00 O ATOM 904 CB VAL A 58 4.918 0.586 -7.194 1.00 0.00 C ATOM 905 CG1 VAL A 58 6.199 -0.056 -7.733 1.00 0.00 C ATOM 906 CG2 VAL A 58 4.792 0.340 -5.700 1.00 0.00 C ATOM 0 H VAL A 58 2.887 1.915 -6.750 1.00 0.00 H new ATOM 0 HA VAL A 58 5.713 2.588 -7.043 1.00 0.00 H new ATOM 0 HB VAL A 58 4.090 0.115 -7.723 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.195 -1.122 -7.507 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.251 0.086 -8.812 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.065 0.411 -7.264 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.845 -0.731 -5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.604 0.846 -5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.837 0.728 -5.347 1.00 0.00 H new