USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=6 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 8 ASN : amide:sc= 0.0847 K(o=-0.75,f=-3.6!) USER MOD Set 1.2: A 14 ASN : amide:sc= -0.836 K(o=-0.75,f=-1.9!) USER MOD Single : A 20 MET CE :methyl 180:sc= -0.775 (180deg=-0.775) USER MOD Single : A 21 MET CE :methyl -118:sc= -1.8 (180deg=-2.58) USER MOD Single : A 23 GLN : amide:sc= -2.09 K(o=-2.1,f=-7.6!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 170:sc=-0.00846 (180deg=-0.0992) 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= 1.06 K(o=1.1,f=0) USER MOD Single : A 41 ASN : amide:sc= 0.488 K(o=0.49,f=-2.4!) USER MOD Single : A 47 ASN : amide:sc= -1.87! C(o=-1.9!,f=-3.4!) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -168:sc= 1.11 (180deg=0.602) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 3 3.016 2.638 7.223 1.00 0.00 N ATOM 71 CA ILE A 3 3.132 3.291 5.958 1.00 0.00 C ATOM 72 C ILE A 3 2.391 2.499 4.899 1.00 0.00 C ATOM 73 O ILE A 3 2.833 1.443 4.444 1.00 0.00 O ATOM 74 CB ILE A 3 4.616 3.616 5.583 1.00 0.00 C ATOM 75 CG1 ILE A 3 4.761 4.135 4.128 1.00 0.00 C ATOM 76 CG2 ILE A 3 5.540 2.447 5.886 1.00 0.00 C ATOM 77 CD1 ILE A 3 6.181 4.538 3.738 1.00 0.00 C ATOM 0 HA ILE A 3 2.653 4.268 6.025 1.00 0.00 H new ATOM 0 HB ILE A 3 4.933 4.439 6.223 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.416 3.360 3.443 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.104 4.994 3.995 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.562 2.710 5.612 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.498 2.216 6.950 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.224 1.575 5.313 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.189 4.888 2.706 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.526 5.337 4.395 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.843 3.677 3.835 1.00 0.00 H new ATOM 89 N LEU A 4 1.221 2.996 4.581 1.00 0.00 N ATOM 90 CA LEU A 4 0.334 2.395 3.632 1.00 0.00 C ATOM 91 C LEU A 4 0.944 2.405 2.249 1.00 0.00 C ATOM 92 O LEU A 4 1.143 3.472 1.643 1.00 0.00 O ATOM 93 CB LEU A 4 -1.004 3.125 3.638 1.00 0.00 C ATOM 94 CG LEU A 4 -1.751 3.179 4.981 1.00 0.00 C ATOM 95 CD1 LEU A 4 -3.129 3.788 4.812 1.00 0.00 C ATOM 96 CD2 LEU A 4 -1.833 1.804 5.628 1.00 0.00 C ATOM 0 H LEU A 4 0.855 3.855 4.991 1.00 0.00 H new ATOM 0 HA LEU A 4 0.167 1.356 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.836 4.148 3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.655 2.650 2.904 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.180 3.822 5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.636 3.814 5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.033 4.802 4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.710 3.186 4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.367 1.879 6.575 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.364 1.121 4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.827 1.426 5.808 1.00 0.00 H new ATOM 108 N GLY A 5 1.249 1.234 1.767 1.00 0.00 N ATOM 109 CA GLY A 5 1.899 1.104 0.504 1.00 0.00 C ATOM 110 C GLY A 5 3.247 0.454 0.665 1.00 0.00 C ATOM 111 O GLY A 5 3.837 -0.008 -0.289 1.00 0.00 O ATOM 0 H GLY A 5 1.054 0.351 2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.281 0.510 -0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.016 2.086 0.046 1.00 0.00 H new ATOM 115 N ASP A 6 3.735 0.418 1.877 1.00 0.00 N ATOM 116 CA ASP A 6 5.007 -0.188 2.152 1.00 0.00 C ATOM 117 C ASP A 6 4.818 -1.374 3.084 1.00 0.00 C ATOM 118 O ASP A 6 4.878 -1.274 4.307 1.00 0.00 O ATOM 119 CB ASP A 6 5.991 0.849 2.663 1.00 0.00 C ATOM 120 CG ASP A 6 7.336 0.296 2.993 1.00 0.00 C ATOM 121 OD1 ASP A 6 7.922 -0.426 2.158 1.00 0.00 O ATOM 122 OD2 ASP A 6 7.867 0.621 4.052 1.00 0.00 O ATOM 0 H ASP A 6 3.264 0.805 2.695 1.00 0.00 H new ATOM 0 HA ASP A 6 5.445 -0.581 1.235 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.105 1.629 1.910 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.575 1.322 3.553 1.00 0.00 H new ATOM 127 N LEU A 7 4.543 -2.481 2.451 1.00 0.00 N ATOM 128 CA LEU A 7 4.140 -3.728 3.060 1.00 0.00 C ATOM 129 C LEU A 7 5.295 -4.492 3.650 1.00 0.00 C ATOM 130 O LEU A 7 5.139 -5.198 4.624 1.00 0.00 O ATOM 131 CB LEU A 7 3.433 -4.603 2.024 1.00 0.00 C ATOM 132 CG LEU A 7 2.004 -4.214 1.594 1.00 0.00 C ATOM 133 CD1 LEU A 7 1.914 -2.856 0.936 1.00 0.00 C ATOM 134 CD2 LEU A 7 1.488 -5.239 0.660 1.00 0.00 C ATOM 0 H LEU A 7 4.596 -2.545 1.434 1.00 0.00 H new ATOM 0 HA LEU A 7 3.464 -3.477 3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.055 -4.627 1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.398 -5.620 2.415 1.00 0.00 H new ATOM 0 HG LEU A 7 1.406 -4.160 2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.879 -2.653 0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.262 -2.091 1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.536 -2.843 0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.477 -4.973 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.134 -5.291 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.471 -6.209 1.157 1.00 0.00 H new ATOM 146 N ASN A 8 6.442 -4.383 3.043 1.00 0.00 N ATOM 147 CA ASN A 8 7.637 -5.073 3.553 1.00 0.00 C ATOM 148 C ASN A 8 8.417 -4.162 4.504 1.00 0.00 C ATOM 149 O ASN A 8 9.480 -4.524 5.004 1.00 0.00 O ATOM 150 CB ASN A 8 8.528 -5.583 2.398 1.00 0.00 C ATOM 151 CG ASN A 8 9.146 -4.486 1.536 1.00 0.00 C ATOM 152 OD1 ASN A 8 8.617 -3.395 1.401 1.00 0.00 O ATOM 153 ND2 ASN A 8 10.211 -4.803 0.897 1.00 0.00 N ATOM 0 H ASN A 8 6.595 -3.832 2.199 1.00 0.00 H new ATOM 0 HA ASN A 8 7.311 -5.947 4.116 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.329 -6.191 2.817 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.933 -6.236 1.759 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.639 -4.135 0.255 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.631 -5.723 1.030 1.00 0.00 H new ATOM 160 N ASP A 9 7.841 -2.991 4.725 1.00 0.00 N ATOM 161 CA ASP A 9 8.336 -1.917 5.597 1.00 0.00 C ATOM 162 C ASP A 9 9.808 -1.577 5.411 1.00 0.00 C ATOM 163 O ASP A 9 10.628 -1.624 6.339 1.00 0.00 O ATOM 164 CB ASP A 9 7.847 -1.958 7.096 1.00 0.00 C ATOM 165 CG ASP A 9 8.357 -3.095 7.979 1.00 0.00 C ATOM 166 OD1 ASP A 9 9.355 -2.891 8.719 1.00 0.00 O ATOM 167 OD2 ASP A 9 7.729 -4.181 8.027 1.00 0.00 O ATOM 0 H ASP A 9 6.960 -2.741 4.276 1.00 0.00 H new ATOM 0 HA ASP A 9 7.811 -1.042 5.212 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.129 -1.016 7.566 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.758 -1.999 7.092 1.00 0.00 H new ATOM 172 N ASP A 10 10.143 -1.219 4.181 1.00 0.00 N ATOM 173 CA ASP A 10 11.509 -0.878 3.832 1.00 0.00 C ATOM 174 C ASP A 10 11.622 0.621 3.542 1.00 0.00 C ATOM 175 O ASP A 10 12.704 1.134 3.227 1.00 0.00 O ATOM 176 CB ASP A 10 12.049 -1.740 2.666 1.00 0.00 C ATOM 177 CG ASP A 10 11.618 -1.314 1.275 1.00 0.00 C ATOM 178 OD1 ASP A 10 10.412 -1.262 0.978 1.00 0.00 O ATOM 179 OD2 ASP A 10 12.492 -1.107 0.429 1.00 0.00 O ATOM 0 H ASP A 10 9.483 -1.158 3.406 1.00 0.00 H new ATOM 0 HA ASP A 10 12.142 -1.106 4.689 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.138 -1.731 2.707 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.732 -2.771 2.824 1.00 0.00 H new ATOM 184 N GLY A 11 10.495 1.318 3.669 1.00 0.00 N ATOM 185 CA GLY A 11 10.470 2.762 3.586 1.00 0.00 C ATOM 186 C GLY A 11 10.150 3.319 2.228 1.00 0.00 C ATOM 187 O GLY A 11 10.262 4.529 2.023 1.00 0.00 O ATOM 0 H GLY A 11 9.582 0.893 3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.735 3.138 4.298 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.442 3.145 3.898 1.00 0.00 H new ATOM 191 N VAL A 12 9.748 2.487 1.304 1.00 0.00 N ATOM 192 CA VAL A 12 9.480 2.954 -0.044 1.00 0.00 C ATOM 193 C VAL A 12 8.510 2.025 -0.774 1.00 0.00 C ATOM 194 O VAL A 12 8.582 0.794 -0.610 1.00 0.00 O ATOM 195 CB VAL A 12 10.827 3.151 -0.846 1.00 0.00 C ATOM 196 CG1 VAL A 12 11.685 1.901 -0.814 1.00 0.00 C ATOM 197 CG2 VAL A 12 10.588 3.608 -2.283 1.00 0.00 C ATOM 0 H VAL A 12 9.598 1.489 1.451 1.00 0.00 H new ATOM 0 HA VAL A 12 8.993 3.927 0.024 1.00 0.00 H new ATOM 0 HB VAL A 12 11.371 3.948 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.603 2.075 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.933 1.656 0.219 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.137 1.072 -1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.545 3.729 -2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.991 2.862 -2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.057 4.560 -2.279 1.00 0.00 H new ATOM 207 N VAL A 13 7.574 2.608 -1.517 1.00 0.00 N ATOM 208 CA VAL A 13 6.658 1.865 -2.339 1.00 0.00 C ATOM 209 C VAL A 13 7.392 1.281 -3.573 1.00 0.00 C ATOM 210 O VAL A 13 7.685 1.967 -4.565 1.00 0.00 O ATOM 211 CB VAL A 13 5.397 2.711 -2.724 1.00 0.00 C ATOM 212 CG1 VAL A 13 4.552 2.984 -1.487 1.00 0.00 C ATOM 213 CG2 VAL A 13 5.778 4.039 -3.383 1.00 0.00 C ATOM 0 H VAL A 13 7.439 3.618 -1.558 1.00 0.00 H new ATOM 0 HA VAL A 13 6.280 1.024 -1.758 1.00 0.00 H new ATOM 0 HB VAL A 13 4.824 2.129 -3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.678 3.573 -1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.229 2.039 -1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.144 3.536 -0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.874 4.593 -3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.385 4.626 -2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.348 3.844 -4.292 1.00 0.00 H new ATOM 223 N ASN A 14 7.745 0.036 -3.454 1.00 0.00 N ATOM 224 CA ASN A 14 8.520 -0.663 -4.442 1.00 0.00 C ATOM 225 C ASN A 14 7.861 -1.936 -4.925 1.00 0.00 C ATOM 226 O ASN A 14 6.821 -2.337 -4.415 1.00 0.00 O ATOM 227 CB ASN A 14 9.969 -0.917 -3.984 1.00 0.00 C ATOM 228 CG ASN A 14 10.149 -1.504 -2.591 1.00 0.00 C ATOM 229 OD1 ASN A 14 9.287 -2.184 -2.014 1.00 0.00 O ATOM 230 ND2 ASN A 14 11.289 -1.287 -2.073 1.00 0.00 N ATOM 0 H ASN A 14 7.497 -0.538 -2.648 1.00 0.00 H new ATOM 0 HA ASN A 14 8.564 0.008 -5.300 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.440 -1.589 -4.701 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.511 0.027 -4.029 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.516 -1.676 -1.158 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.977 -0.724 -2.572 1.00 0.00 H new ATOM 237 N GLY A 15 8.515 -2.596 -5.884 1.00 0.00 N ATOM 238 CA GLY A 15 7.995 -3.824 -6.496 1.00 0.00 C ATOM 239 C GLY A 15 7.884 -4.962 -5.507 1.00 0.00 C ATOM 240 O GLY A 15 7.076 -5.865 -5.674 1.00 0.00 O ATOM 0 H GLY A 15 9.416 -2.297 -6.258 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.014 -3.624 -6.927 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.648 -4.122 -7.316 1.00 0.00 H new ATOM 244 N ARG A 16 8.695 -4.887 -4.461 1.00 0.00 N ATOM 245 CA ARG A 16 8.697 -5.846 -3.370 1.00 0.00 C ATOM 246 C ARG A 16 7.337 -5.861 -2.673 1.00 0.00 C ATOM 247 O ARG A 16 6.856 -6.911 -2.269 1.00 0.00 O ATOM 248 CB ARG A 16 9.765 -5.460 -2.356 1.00 0.00 C ATOM 249 CG ARG A 16 11.202 -5.490 -2.855 1.00 0.00 C ATOM 250 CD ARG A 16 11.648 -6.888 -3.251 1.00 0.00 C ATOM 251 NE ARG A 16 13.084 -6.932 -3.574 1.00 0.00 N ATOM 252 CZ ARG A 16 13.658 -7.725 -4.498 1.00 0.00 C ATOM 253 NH1 ARG A 16 12.915 -8.401 -5.360 1.00 0.00 N ATOM 254 NH2 ARG A 16 14.977 -7.801 -4.573 1.00 0.00 N ATOM 0 H ARG A 16 9.383 -4.142 -4.347 1.00 0.00 H new ATOM 0 HA ARG A 16 8.905 -6.836 -3.776 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.548 -4.455 -1.995 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.685 -6.131 -1.500 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.300 -4.824 -3.712 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.862 -5.108 -2.077 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.437 -7.581 -2.437 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.071 -7.223 -4.113 1.00 0.00 H new ATOM 0 HE ARG A 16 13.698 -6.307 -3.052 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.898 -8.324 -5.328 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.359 -8.999 -6.057 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.556 -7.259 -3.932 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.414 -8.401 -5.272 1.00 0.00 H new ATOM 268 N ASP A 17 6.710 -4.684 -2.569 1.00 0.00 N ATOM 269 CA ASP A 17 5.414 -4.534 -1.917 1.00 0.00 C ATOM 270 C ASP A 17 4.362 -5.235 -2.701 1.00 0.00 C ATOM 271 O ASP A 17 3.495 -5.879 -2.125 1.00 0.00 O ATOM 272 CB ASP A 17 5.030 -3.075 -1.761 1.00 0.00 C ATOM 273 CG ASP A 17 6.014 -2.312 -0.946 1.00 0.00 C ATOM 274 OD1 ASP A 17 6.220 -2.612 0.234 1.00 0.00 O ATOM 275 OD2 ASP A 17 6.680 -1.418 -1.452 1.00 0.00 O ATOM 0 H ASP A 17 7.091 -3.812 -2.936 1.00 0.00 H new ATOM 0 HA ASP A 17 5.496 -4.976 -0.924 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.946 -2.617 -2.747 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.047 -3.009 -1.294 1.00 0.00 H new ATOM 280 N ILE A 18 4.448 -5.104 -4.031 1.00 0.00 N ATOM 281 CA ILE A 18 3.566 -5.798 -4.985 1.00 0.00 C ATOM 282 C ILE A 18 3.516 -7.275 -4.668 1.00 0.00 C ATOM 283 O ILE A 18 2.444 -7.854 -4.568 1.00 0.00 O ATOM 284 CB ILE A 18 4.043 -5.604 -6.483 1.00 0.00 C ATOM 285 CG1 ILE A 18 3.711 -4.217 -7.023 1.00 0.00 C ATOM 286 CG2 ILE A 18 3.439 -6.650 -7.425 1.00 0.00 C ATOM 287 CD1 ILE A 18 4.267 -3.060 -6.277 1.00 0.00 C ATOM 0 H ILE A 18 5.140 -4.506 -4.483 1.00 0.00 H new ATOM 0 HA ILE A 18 2.574 -5.359 -4.884 1.00 0.00 H new ATOM 0 HB ILE A 18 5.126 -5.728 -6.455 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.064 -4.159 -8.053 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.626 -4.114 -7.052 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.796 -6.475 -8.440 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.739 -7.647 -7.102 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.352 -6.574 -7.404 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.959 -2.133 -6.761 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.895 -3.075 -5.252 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.355 -3.121 -6.269 1.00 0.00 H new ATOM 299 N VAL A 19 4.682 -7.848 -4.464 1.00 0.00 N ATOM 300 CA VAL A 19 4.819 -9.255 -4.158 1.00 0.00 C ATOM 301 C VAL A 19 4.053 -9.579 -2.886 1.00 0.00 C ATOM 302 O VAL A 19 3.137 -10.386 -2.916 1.00 0.00 O ATOM 303 CB VAL A 19 6.298 -9.654 -3.962 1.00 0.00 C ATOM 304 CG1 VAL A 19 6.461 -11.165 -3.905 1.00 0.00 C ATOM 305 CG2 VAL A 19 7.169 -9.049 -5.038 1.00 0.00 C ATOM 0 H VAL A 19 5.569 -7.346 -4.506 1.00 0.00 H new ATOM 0 HA VAL A 19 4.417 -9.817 -5.001 1.00 0.00 H new ATOM 0 HB VAL A 19 6.626 -9.253 -3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.513 -11.412 -3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.882 -11.562 -3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.104 -11.605 -4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.205 -9.346 -4.877 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.838 -9.402 -6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.092 -7.962 -5.000 1.00 0.00 H new ATOM 315 N MET A 20 4.372 -8.838 -1.814 1.00 0.00 N ATOM 316 CA MET A 20 3.797 -9.042 -0.459 1.00 0.00 C ATOM 317 C MET A 20 2.268 -8.944 -0.497 1.00 0.00 C ATOM 318 O MET A 20 1.561 -9.738 0.135 1.00 0.00 O ATOM 319 CB MET A 20 4.322 -7.966 0.501 1.00 0.00 C ATOM 320 CG MET A 20 5.830 -7.756 0.470 1.00 0.00 C ATOM 321 SD MET A 20 6.797 -9.129 1.116 1.00 0.00 S ATOM 322 CE MET A 20 6.520 -8.926 2.869 1.00 0.00 C ATOM 0 H MET A 20 5.042 -8.070 -1.855 1.00 0.00 H new ATOM 0 HA MET A 20 4.092 -10.034 -0.117 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.834 -7.020 0.265 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.028 -8.232 1.516 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.135 -7.568 -0.559 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.070 -6.860 1.043 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.055 -9.704 3.414 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.883 -7.947 3.184 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.453 -9.003 3.080 1.00 0.00 H new ATOM 332 N MET A 21 1.792 -7.961 -1.258 1.00 0.00 N ATOM 333 CA MET A 21 0.367 -7.672 -1.477 1.00 0.00 C ATOM 334 C MET A 21 -0.316 -8.901 -2.009 1.00 0.00 C ATOM 335 O MET A 21 -1.232 -9.447 -1.394 1.00 0.00 O ATOM 336 CB MET A 21 0.265 -6.578 -2.549 1.00 0.00 C ATOM 337 CG MET A 21 -1.131 -6.008 -2.882 1.00 0.00 C ATOM 338 SD MET A 21 -1.712 -4.656 -1.824 1.00 0.00 S ATOM 339 CE MET A 21 -2.133 -5.453 -0.297 1.00 0.00 C ATOM 0 H MET A 21 2.405 -7.318 -1.759 1.00 0.00 H new ATOM 0 HA MET A 21 -0.097 -7.360 -0.542 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.898 -5.747 -2.237 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.691 -6.975 -3.471 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.121 -5.657 -3.914 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.855 -6.821 -2.829 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.196 -5.320 -0.098 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.908 -6.517 -0.368 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.554 -5.013 0.515 1.00 0.00 H new ATOM 349 N ARG A 22 0.216 -9.371 -3.119 1.00 0.00 N ATOM 350 CA ARG A 22 -0.344 -10.457 -3.875 1.00 0.00 C ATOM 351 C ARG A 22 -0.242 -11.785 -3.130 1.00 0.00 C ATOM 352 O ARG A 22 -1.012 -12.702 -3.395 1.00 0.00 O ATOM 353 CB ARG A 22 0.324 -10.515 -5.247 1.00 0.00 C ATOM 354 CG ARG A 22 0.186 -9.212 -6.030 1.00 0.00 C ATOM 355 CD ARG A 22 0.881 -9.267 -7.376 1.00 0.00 C ATOM 356 NE ARG A 22 0.124 -10.051 -8.345 1.00 0.00 N ATOM 357 CZ ARG A 22 0.429 -10.196 -9.648 1.00 0.00 C ATOM 358 NH1 ARG A 22 1.539 -9.652 -10.157 1.00 0.00 N ATOM 359 NH2 ARG A 22 -0.375 -10.888 -10.437 1.00 0.00 N ATOM 0 H ARG A 22 1.072 -8.994 -3.525 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.410 -10.275 -4.013 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.382 -10.747 -5.121 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.114 -11.329 -5.825 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.871 -8.992 -6.179 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.602 -8.393 -5.443 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.019 -8.255 -7.756 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.874 -9.700 -7.255 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.709 -10.531 -8.006 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.168 -9.119 -9.556 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.757 -9.770 -11.146 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.223 -11.310 -10.058 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.147 -11.000 -11.425 1.00 0.00 H new ATOM 373 N GLN A 23 0.705 -11.884 -2.196 1.00 0.00 N ATOM 374 CA GLN A 23 0.838 -13.067 -1.360 1.00 0.00 C ATOM 375 C GLN A 23 -0.344 -13.187 -0.437 1.00 0.00 C ATOM 376 O GLN A 23 -1.050 -14.191 -0.456 1.00 0.00 O ATOM 377 CB GLN A 23 2.074 -13.004 -0.495 1.00 0.00 C ATOM 378 CG GLN A 23 3.384 -12.772 -1.198 1.00 0.00 C ATOM 379 CD GLN A 23 3.775 -13.827 -2.212 1.00 0.00 C ATOM 380 OE1 GLN A 23 2.943 -14.440 -2.883 1.00 0.00 O ATOM 381 NE2 GLN A 23 5.039 -14.059 -2.317 1.00 0.00 N ATOM 0 H GLN A 23 1.391 -11.154 -2.003 1.00 0.00 H new ATOM 0 HA GLN A 23 0.902 -13.921 -2.034 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.936 -12.208 0.237 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.148 -13.939 0.061 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.340 -11.807 -1.702 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.172 -12.704 -0.448 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.703 -13.534 -1.747 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.375 -14.767 -2.970 1.00 0.00 H new ATOM 390 N TYR A 24 -0.570 -12.149 0.366 1.00 0.00 N ATOM 391 CA TYR A 24 -1.649 -12.145 1.336 1.00 0.00 C ATOM 392 C TYR A 24 -2.996 -12.252 0.640 1.00 0.00 C ATOM 393 O TYR A 24 -3.891 -12.971 1.091 1.00 0.00 O ATOM 394 CB TYR A 24 -1.578 -10.885 2.179 1.00 0.00 C ATOM 395 CG TYR A 24 -2.601 -10.850 3.301 1.00 0.00 C ATOM 396 CD1 TYR A 24 -3.861 -10.317 3.089 1.00 0.00 C ATOM 397 CD2 TYR A 24 -2.317 -11.374 4.553 1.00 0.00 C ATOM 398 CE1 TYR A 24 -4.803 -10.304 4.072 1.00 0.00 C ATOM 399 CE2 TYR A 24 -3.268 -11.358 5.558 1.00 0.00 C ATOM 400 CZ TYR A 24 -4.512 -10.823 5.303 1.00 0.00 C ATOM 401 OH TYR A 24 -5.480 -10.817 6.278 1.00 0.00 O ATOM 0 H TYR A 24 -0.011 -11.296 0.359 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.539 -13.011 1.989 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.579 -10.798 2.606 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.726 -10.018 1.536 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.102 -9.902 2.122 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.343 -11.799 4.746 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.779 -9.884 3.880 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.037 -11.761 6.533 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.122 -11.220 7.096 1.00 0.00 H new ATOM 411 N LEU A 25 -3.118 -11.540 -0.451 1.00 0.00 N ATOM 412 CA LEU A 25 -4.333 -11.585 -1.299 1.00 0.00 C ATOM 413 C LEU A 25 -4.637 -13.020 -1.774 1.00 0.00 C ATOM 414 O LEU A 25 -5.803 -13.435 -1.838 1.00 0.00 O ATOM 415 CB LEU A 25 -4.215 -10.657 -2.518 1.00 0.00 C ATOM 416 CG LEU A 25 -4.157 -9.142 -2.255 1.00 0.00 C ATOM 417 CD1 LEU A 25 -3.999 -8.395 -3.556 1.00 0.00 C ATOM 418 CD2 LEU A 25 -5.396 -8.646 -1.527 1.00 0.00 C ATOM 0 H LEU A 25 -2.395 -10.908 -0.795 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.156 -11.236 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.317 -10.937 -3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.064 -10.852 -3.173 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.295 -8.954 -1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.959 -7.324 -3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.077 -8.708 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.847 -8.613 -4.206 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.315 -7.572 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.280 -8.854 -2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.483 -9.156 -0.568 1.00 0.00 H new ATOM 430 N ALA A 26 -3.585 -13.775 -2.066 1.00 0.00 N ATOM 431 CA ALA A 26 -3.706 -15.160 -2.512 1.00 0.00 C ATOM 432 C ALA A 26 -3.946 -16.105 -1.338 1.00 0.00 C ATOM 433 O ALA A 26 -4.328 -17.262 -1.526 1.00 0.00 O ATOM 434 CB ALA A 26 -2.464 -15.583 -3.260 1.00 0.00 C ATOM 0 H ALA A 26 -2.622 -13.445 -2.001 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.566 -15.217 -3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.570 -16.618 -3.586 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.327 -14.941 -4.130 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.597 -15.496 -2.605 1.00 0.00 H new ATOM 440 N GLY A 27 -3.720 -15.614 -0.141 1.00 0.00 N ATOM 441 CA GLY A 27 -3.920 -16.397 1.035 1.00 0.00 C ATOM 442 C GLY A 27 -2.644 -17.004 1.569 1.00 0.00 C ATOM 443 O GLY A 27 -2.682 -17.970 2.326 1.00 0.00 O ATOM 0 H GLY A 27 -3.394 -14.664 0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.369 -15.773 1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.631 -17.194 0.817 1.00 0.00 H new ATOM 447 N LYS A 28 -1.513 -16.457 1.183 1.00 0.00 N ATOM 448 CA LYS A 28 -0.233 -16.976 1.630 1.00 0.00 C ATOM 449 C LYS A 28 0.216 -16.231 2.859 1.00 0.00 C ATOM 450 O LYS A 28 -0.139 -15.064 3.049 1.00 0.00 O ATOM 451 CB LYS A 28 0.840 -16.795 0.558 1.00 0.00 C ATOM 452 CG LYS A 28 0.443 -17.303 -0.816 1.00 0.00 C ATOM 453 CD LYS A 28 1.544 -17.070 -1.851 1.00 0.00 C ATOM 454 CE LYS A 28 2.808 -17.896 -1.589 1.00 0.00 C ATOM 455 NZ LYS A 28 2.558 -19.355 -1.642 1.00 0.00 N ATOM 0 H LYS A 28 -1.450 -15.652 0.560 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.363 -18.037 1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.087 -15.736 0.483 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.745 -17.312 0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.219 -18.368 -0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.470 -16.802 -1.138 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.159 -17.312 -2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.806 -16.012 -1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.567 -17.635 -2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.211 -17.636 -0.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.465 -19.863 -1.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.989 -19.640 -0.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.044 -19.588 -2.516 1.00 0.00 H new ATOM 469 N THR A 29 0.978 -16.892 3.677 1.00 0.00 N ATOM 470 CA THR A 29 1.578 -16.276 4.827 1.00 0.00 C ATOM 471 C THR A 29 2.835 -15.572 4.339 1.00 0.00 C ATOM 472 O THR A 29 3.676 -16.185 3.652 1.00 0.00 O ATOM 473 CB THR A 29 1.927 -17.334 5.896 1.00 0.00 C ATOM 474 OG1 THR A 29 0.724 -18.042 6.270 1.00 0.00 O ATOM 475 CG2 THR A 29 2.540 -16.686 7.133 1.00 0.00 C ATOM 0 H THR A 29 1.204 -17.881 3.567 1.00 0.00 H new ATOM 0 HA THR A 29 0.890 -15.570 5.292 1.00 0.00 H new ATOM 0 HB THR A 29 2.658 -18.025 5.476 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.939 -18.717 6.947 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.775 -17.456 7.868 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.453 -16.160 6.854 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.831 -15.979 7.563 1.00 0.00 H new ATOM 483 N VAL A 30 2.955 -14.312 4.634 1.00 0.00 N ATOM 484 CA VAL A 30 4.031 -13.550 4.114 1.00 0.00 C ATOM 485 C VAL A 30 4.995 -13.235 5.244 1.00 0.00 C ATOM 486 O VAL A 30 4.641 -12.547 6.200 1.00 0.00 O ATOM 487 CB VAL A 30 3.530 -12.233 3.487 1.00 0.00 C ATOM 488 CG1 VAL A 30 4.475 -11.773 2.414 1.00 0.00 C ATOM 489 CG2 VAL A 30 2.104 -12.343 2.952 1.00 0.00 C ATOM 0 H VAL A 30 2.313 -13.796 5.236 1.00 0.00 H new ATOM 0 HA VAL A 30 4.527 -14.129 3.335 1.00 0.00 H new ATOM 0 HB VAL A 30 3.506 -11.486 4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.108 -10.842 1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.462 -11.608 2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.541 -12.534 1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.802 -11.388 2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.062 -13.116 2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.429 -12.604 3.767 1.00 0.00 H new ATOM 499 N SER A 31 6.180 -13.769 5.159 1.00 0.00 N ATOM 500 CA SER A 31 7.183 -13.567 6.170 1.00 0.00 C ATOM 501 C SER A 31 7.787 -12.159 6.043 1.00 0.00 C ATOM 502 O SER A 31 8.290 -11.779 4.973 1.00 0.00 O ATOM 503 CB SER A 31 8.266 -14.653 6.041 1.00 0.00 C ATOM 504 OG SER A 31 9.200 -14.621 7.112 1.00 0.00 O ATOM 0 H SER A 31 6.481 -14.360 4.384 1.00 0.00 H new ATOM 0 HA SER A 31 6.729 -13.646 7.158 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.791 -15.633 6.007 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.796 -14.523 5.097 1.00 0.00 H new ATOM 0 HG SER A 31 9.866 -15.329 6.987 1.00 0.00 H new ATOM 510 N GLY A 32 7.690 -11.388 7.108 1.00 0.00 N ATOM 511 CA GLY A 32 8.275 -10.071 7.129 1.00 0.00 C ATOM 512 C GLY A 32 7.366 -9.031 6.536 1.00 0.00 C ATOM 513 O GLY A 32 7.838 -8.092 5.876 1.00 0.00 O ATOM 0 H GLY A 32 7.211 -11.655 7.968 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.513 -9.798 8.157 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.215 -10.085 6.578 1.00 0.00 H new ATOM 517 N ILE A 33 6.073 -9.192 6.726 1.00 0.00 N ATOM 518 CA ILE A 33 5.126 -8.263 6.193 1.00 0.00 C ATOM 519 C ILE A 33 4.519 -7.418 7.316 1.00 0.00 C ATOM 520 O ILE A 33 4.344 -7.893 8.454 1.00 0.00 O ATOM 521 CB ILE A 33 3.989 -9.007 5.390 1.00 0.00 C ATOM 522 CG1 ILE A 33 3.220 -8.026 4.494 1.00 0.00 C ATOM 523 CG2 ILE A 33 3.014 -9.749 6.326 1.00 0.00 C ATOM 524 CD1 ILE A 33 2.212 -8.706 3.571 1.00 0.00 C ATOM 0 H ILE A 33 5.662 -9.965 7.250 1.00 0.00 H new ATOM 0 HA ILE A 33 5.652 -7.604 5.502 1.00 0.00 H new ATOM 0 HB ILE A 33 4.477 -9.751 4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.697 -7.306 5.123 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.932 -7.464 3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.248 -10.247 5.732 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.561 -10.491 6.908 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.543 -9.034 7.001 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.706 -7.953 2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.732 -9.406 2.917 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.478 -9.246 4.169 1.00 0.00 H new ATOM 536 N ASP A 34 4.256 -6.180 7.022 1.00 0.00 N ATOM 537 CA ASP A 34 3.506 -5.347 7.920 1.00 0.00 C ATOM 538 C ASP A 34 2.098 -5.501 7.466 1.00 0.00 C ATOM 539 O ASP A 34 1.698 -4.857 6.508 1.00 0.00 O ATOM 540 CB ASP A 34 3.883 -3.862 7.824 1.00 0.00 C ATOM 541 CG ASP A 34 3.229 -3.019 8.926 1.00 0.00 C ATOM 542 OD1 ASP A 34 3.930 -2.159 9.519 1.00 0.00 O ATOM 543 OD2 ASP A 34 2.044 -3.223 9.253 1.00 0.00 O ATOM 0 H ASP A 34 4.551 -5.720 6.161 1.00 0.00 H new ATOM 0 HA ASP A 34 3.692 -5.642 8.953 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.966 -3.760 7.888 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.583 -3.476 6.850 1.00 0.00 H new ATOM 548 N LYS A 35 1.368 -6.379 8.116 1.00 0.00 N ATOM 549 CA LYS A 35 0.017 -6.751 7.717 1.00 0.00 C ATOM 550 C LYS A 35 -0.959 -5.536 7.715 1.00 0.00 C ATOM 551 O LYS A 35 -1.991 -5.550 7.037 1.00 0.00 O ATOM 552 CB LYS A 35 -0.496 -7.850 8.649 1.00 0.00 C ATOM 553 CG LYS A 35 -1.661 -8.657 8.083 1.00 0.00 C ATOM 554 CD LYS A 35 -2.264 -9.607 9.129 1.00 0.00 C ATOM 555 CE LYS A 35 -1.228 -10.587 9.698 1.00 0.00 C ATOM 556 NZ LYS A 35 -1.769 -11.403 10.810 1.00 0.00 N ATOM 0 H LYS A 35 1.695 -6.866 8.950 1.00 0.00 H new ATOM 0 HA LYS A 35 0.057 -7.119 6.692 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.325 -8.530 8.877 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.806 -7.397 9.591 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.433 -7.976 7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.319 -9.234 7.224 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.692 -9.022 9.943 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.081 -10.169 8.677 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.882 -11.247 8.903 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.360 -10.029 10.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.031 -12.048 11.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.075 -10.778 11.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.581 -11.957 10.471 1.00 0.00 H new ATOM 570 N ASN A 36 -0.590 -4.487 8.421 1.00 0.00 N ATOM 571 CA ASN A 36 -1.409 -3.305 8.572 1.00 0.00 C ATOM 572 C ASN A 36 -1.198 -2.361 7.394 1.00 0.00 C ATOM 573 O ASN A 36 -2.058 -1.552 7.086 1.00 0.00 O ATOM 574 CB ASN A 36 -1.024 -2.553 9.852 1.00 0.00 C ATOM 575 CG ASN A 36 -0.910 -3.428 11.078 1.00 0.00 C ATOM 576 OD1 ASN A 36 -1.885 -3.660 11.796 1.00 0.00 O ATOM 577 ND2 ASN A 36 0.292 -3.892 11.344 1.00 0.00 N ATOM 0 H ASN A 36 0.302 -4.432 8.913 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.450 -3.623 8.618 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.071 -2.049 9.690 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.767 -1.778 10.041 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.445 -4.468 12.172 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.071 -3.676 10.722 1.00 0.00 H new ATOM 584 N ALA A 37 -0.062 -2.498 6.706 1.00 0.00 N ATOM 585 CA ALA A 37 0.306 -1.573 5.630 1.00 0.00 C ATOM 586 C ALA A 37 -0.306 -1.984 4.306 1.00 0.00 C ATOM 587 O ALA A 37 -0.105 -1.317 3.281 1.00 0.00 O ATOM 588 CB ALA A 37 1.812 -1.482 5.514 1.00 0.00 C ATOM 0 H ALA A 37 0.618 -3.239 6.874 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.091 -0.590 5.883 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.074 -0.792 4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.228 -1.120 6.454 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.220 -2.468 5.292 1.00 0.00 H new ATOM 594 N LEU A 38 -1.060 -3.068 4.343 1.00 0.00 N ATOM 595 CA LEU A 38 -1.708 -3.611 3.169 1.00 0.00 C ATOM 596 C LEU A 38 -2.969 -2.882 2.847 1.00 0.00 C ATOM 597 O LEU A 38 -3.377 -2.873 1.715 1.00 0.00 O ATOM 598 CB LEU A 38 -2.024 -5.102 3.296 1.00 0.00 C ATOM 599 CG LEU A 38 -0.879 -6.094 3.149 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.093 -5.973 4.240 1.00 0.00 C ATOM 601 CD2 LEU A 38 -1.399 -7.489 3.078 1.00 0.00 C ATOM 0 H LEU A 38 -1.239 -3.598 5.196 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.989 -3.479 2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.482 -5.264 4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.776 -5.348 2.547 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.364 -5.857 2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.893 -6.699 4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.512 -4.967 4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.403 -6.163 5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.565 -8.183 2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.950 -7.719 3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.063 -7.587 2.219 1.00 0.00 H new ATOM 613 N ASP A 39 -3.598 -2.280 3.837 1.00 0.00 N ATOM 614 CA ASP A 39 -4.817 -1.539 3.588 1.00 0.00 C ATOM 615 C ASP A 39 -4.470 -0.125 3.187 1.00 0.00 C ATOM 616 O ASP A 39 -4.494 0.808 3.974 1.00 0.00 O ATOM 617 CB ASP A 39 -5.774 -1.610 4.768 1.00 0.00 C ATOM 618 CG ASP A 39 -7.047 -0.810 4.562 1.00 0.00 C ATOM 619 OD1 ASP A 39 -7.699 -0.917 3.480 1.00 0.00 O ATOM 620 OD2 ASP A 39 -7.456 -0.091 5.488 1.00 0.00 O ATOM 0 H ASP A 39 -3.290 -2.289 4.809 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.355 -1.998 2.759 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.035 -2.652 4.952 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.266 -1.246 5.661 1.00 0.00 H new ATOM 625 N ILE A 40 -4.080 -0.023 1.951 1.00 0.00 N ATOM 626 CA ILE A 40 -3.544 1.169 1.367 1.00 0.00 C ATOM 627 C ILE A 40 -4.610 2.219 1.104 1.00 0.00 C ATOM 628 O ILE A 40 -4.377 3.409 1.307 1.00 0.00 O ATOM 629 CB ILE A 40 -2.750 0.829 0.083 1.00 0.00 C ATOM 630 CG1 ILE A 40 -1.715 -0.242 0.423 1.00 0.00 C ATOM 631 CG2 ILE A 40 -2.042 2.078 -0.455 1.00 0.00 C ATOM 632 CD1 ILE A 40 -1.101 -0.915 -0.763 1.00 0.00 C ATOM 0 H ILE A 40 -4.129 -0.802 1.295 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.858 1.609 2.091 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.434 0.465 -0.683 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.922 0.213 1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.187 -0.999 1.049 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.488 1.822 -1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.782 2.844 -0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.352 2.458 0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.379 -1.659 -0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.880 -1.404 -1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.595 -0.173 -1.381 1.00 0.00 H new ATOM 644 N ASN A 41 -5.789 1.792 0.693 1.00 0.00 N ATOM 645 CA ASN A 41 -6.852 2.755 0.416 1.00 0.00 C ATOM 646 C ASN A 41 -7.537 3.175 1.719 1.00 0.00 C ATOM 647 O ASN A 41 -8.284 4.156 1.748 1.00 0.00 O ATOM 648 CB ASN A 41 -7.894 2.210 -0.597 1.00 0.00 C ATOM 649 CG ASN A 41 -8.811 1.141 -0.031 1.00 0.00 C ATOM 650 OD1 ASN A 41 -8.443 0.385 0.849 1.00 0.00 O ATOM 651 ND2 ASN A 41 -10.004 1.066 -0.520 1.00 0.00 N ATOM 0 H ASN A 41 -6.037 0.814 0.545 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.388 3.628 -0.044 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.501 3.040 -0.958 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.367 1.802 -1.459 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.656 0.364 -0.169 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.294 1.708 -1.257 1.00 0.00 H new ATOM 658 N GLY A 42 -7.242 2.449 2.795 1.00 0.00 N ATOM 659 CA GLY A 42 -7.828 2.753 4.079 1.00 0.00 C ATOM 660 C GLY A 42 -9.318 2.426 4.162 1.00 0.00 C ATOM 661 O GLY A 42 -10.134 3.314 4.390 1.00 0.00 O ATOM 0 H GLY A 42 -6.604 1.653 2.794 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.298 2.196 4.852 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.684 3.812 4.294 1.00 0.00 H new ATOM 665 N ASP A 43 -9.678 1.174 3.941 1.00 0.00 N ATOM 666 CA ASP A 43 -11.089 0.742 4.061 1.00 0.00 C ATOM 667 C ASP A 43 -11.263 -0.210 5.232 1.00 0.00 C ATOM 668 O ASP A 43 -12.390 -0.550 5.618 1.00 0.00 O ATOM 669 CB ASP A 43 -11.686 0.123 2.760 1.00 0.00 C ATOM 670 CG ASP A 43 -10.949 -1.089 2.219 1.00 0.00 C ATOM 671 OD1 ASP A 43 -10.709 -1.173 1.018 1.00 0.00 O ATOM 672 OD2 ASP A 43 -10.489 -1.937 2.953 1.00 0.00 O ATOM 0 H ASP A 43 -9.030 0.432 3.679 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.657 1.655 4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.721 -0.159 2.953 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.704 0.891 1.987 1.00 0.00 H new ATOM 677 N GLY A 44 -10.149 -0.629 5.790 1.00 0.00 N ATOM 678 CA GLY A 44 -10.149 -1.496 6.923 1.00 0.00 C ATOM 679 C GLY A 44 -9.822 -2.934 6.583 1.00 0.00 C ATOM 680 O GLY A 44 -9.563 -3.736 7.487 1.00 0.00 O ATOM 0 H GLY A 44 -9.219 -0.371 5.461 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.425 -1.130 7.651 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.128 -1.457 7.400 1.00 0.00 H new ATOM 684 N ALA A 45 -9.795 -3.268 5.309 1.00 0.00 N ATOM 685 CA ALA A 45 -9.527 -4.629 4.883 1.00 0.00 C ATOM 686 C ALA A 45 -8.521 -4.673 3.746 1.00 0.00 C ATOM 687 O ALA A 45 -8.293 -3.683 3.066 1.00 0.00 O ATOM 688 CB ALA A 45 -10.810 -5.293 4.457 1.00 0.00 C ATOM 0 H ALA A 45 -9.956 -2.612 4.545 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.098 -5.166 5.729 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.603 -6.314 4.138 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.507 -5.309 5.295 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.250 -4.737 3.629 1.00 0.00 H new ATOM 694 N VAL A 46 -7.946 -5.820 3.531 1.00 0.00 N ATOM 695 CA VAL A 46 -6.980 -6.019 2.515 1.00 0.00 C ATOM 696 C VAL A 46 -7.662 -6.628 1.296 1.00 0.00 C ATOM 697 O VAL A 46 -8.057 -7.809 1.296 1.00 0.00 O ATOM 698 CB VAL A 46 -5.865 -6.940 3.000 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.831 -7.054 1.945 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.252 -6.434 4.299 1.00 0.00 C ATOM 0 H VAL A 46 -8.148 -6.658 4.076 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.536 -5.059 2.253 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.288 -7.924 3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.032 -7.712 2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.278 -7.467 1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.421 -6.067 1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.461 -7.113 4.617 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.835 -5.439 4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.021 -6.387 5.070 1.00 0.00 H new ATOM 710 N ASN A 47 -7.830 -5.815 0.308 1.00 0.00 N ATOM 711 CA ASN A 47 -8.538 -6.153 -0.896 1.00 0.00 C ATOM 712 C ASN A 47 -7.799 -5.665 -2.139 1.00 0.00 C ATOM 713 O ASN A 47 -6.726 -5.064 -2.041 1.00 0.00 O ATOM 714 CB ASN A 47 -9.998 -5.632 -0.813 1.00 0.00 C ATOM 715 CG ASN A 47 -10.136 -4.216 -0.253 1.00 0.00 C ATOM 716 OD1 ASN A 47 -9.314 -3.326 -0.485 1.00 0.00 O ATOM 717 ND2 ASN A 47 -11.134 -4.019 0.549 1.00 0.00 N ATOM 0 H ASN A 47 -7.468 -4.861 0.310 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.582 -7.238 -0.990 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.437 -5.659 -1.810 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.578 -6.313 -0.191 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.252 -3.113 1.003 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.802 -4.769 0.726 1.00 0.00 H new ATOM 724 N GLY A 48 -8.389 -5.897 -3.311 1.00 0.00 N ATOM 725 CA GLY A 48 -7.758 -5.522 -4.575 1.00 0.00 C ATOM 726 C GLY A 48 -7.705 -4.029 -4.780 1.00 0.00 C ATOM 727 O GLY A 48 -6.945 -3.550 -5.600 1.00 0.00 O ATOM 0 H GLY A 48 -9.301 -6.342 -3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.745 -5.925 -4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.306 -5.978 -5.399 1.00 0.00 H new ATOM 731 N ARG A 49 -8.520 -3.300 -4.017 1.00 0.00 N ATOM 732 CA ARG A 49 -8.500 -1.832 -4.000 1.00 0.00 C ATOM 733 C ARG A 49 -7.125 -1.360 -3.591 1.00 0.00 C ATOM 734 O ARG A 49 -6.570 -0.441 -4.168 1.00 0.00 O ATOM 735 CB ARG A 49 -9.477 -1.319 -2.959 1.00 0.00 C ATOM 736 CG ARG A 49 -10.935 -1.492 -3.274 1.00 0.00 C ATOM 737 CD ARG A 49 -11.392 -0.501 -4.336 1.00 0.00 C ATOM 738 NE ARG A 49 -12.848 -0.525 -4.527 1.00 0.00 N ATOM 739 CZ ARG A 49 -13.575 0.486 -5.043 1.00 0.00 C ATOM 740 NH1 ARG A 49 -12.979 1.611 -5.447 1.00 0.00 N ATOM 741 NH2 ARG A 49 -14.893 0.371 -5.146 1.00 0.00 N ATOM 0 H ARG A 49 -9.214 -3.709 -3.392 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.765 -1.466 -4.992 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.268 -1.824 -2.016 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.284 -0.258 -2.802 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.116 -2.509 -3.621 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.524 -1.354 -2.367 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.081 0.504 -4.051 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.899 -0.731 -5.281 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.346 -1.370 -4.248 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.967 1.709 -5.366 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.536 2.372 -5.836 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.356 -0.483 -4.835 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.443 1.136 -5.537 1.00 0.00 H new ATOM 755 N ASP A 50 -6.583 -2.046 -2.600 1.00 0.00 N ATOM 756 CA ASP A 50 -5.283 -1.742 -2.037 1.00 0.00 C ATOM 757 C ASP A 50 -4.215 -2.062 -3.024 1.00 0.00 C ATOM 758 O ASP A 50 -3.268 -1.327 -3.163 1.00 0.00 O ATOM 759 CB ASP A 50 -5.045 -2.540 -0.782 1.00 0.00 C ATOM 760 CG ASP A 50 -6.112 -2.346 0.223 1.00 0.00 C ATOM 761 OD1 ASP A 50 -6.333 -1.235 0.670 1.00 0.00 O ATOM 762 OD2 ASP A 50 -6.815 -3.288 0.585 1.00 0.00 O ATOM 0 H ASP A 50 -7.043 -2.842 -2.158 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.259 -0.680 -1.794 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.977 -3.598 -1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.086 -2.254 -0.349 1.00 0.00 H new ATOM 767 N LEU A 51 -4.402 -3.164 -3.732 1.00 0.00 N ATOM 768 CA LEU A 51 -3.483 -3.581 -4.785 1.00 0.00 C ATOM 769 C LEU A 51 -3.429 -2.522 -5.875 1.00 0.00 C ATOM 770 O LEU A 51 -2.363 -2.151 -6.326 1.00 0.00 O ATOM 771 CB LEU A 51 -3.902 -4.950 -5.361 1.00 0.00 C ATOM 772 CG LEU A 51 -3.150 -5.470 -6.613 1.00 0.00 C ATOM 773 CD1 LEU A 51 -1.642 -5.564 -6.393 1.00 0.00 C ATOM 774 CD2 LEU A 51 -3.687 -6.832 -6.990 1.00 0.00 C ATOM 0 H LEU A 51 -5.192 -3.795 -3.596 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.485 -3.691 -4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.791 -5.693 -4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.963 -4.900 -5.605 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.319 -4.753 -7.416 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.164 -5.933 -7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.247 -4.577 -6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.436 -6.249 -5.570 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.160 -7.200 -7.870 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.537 -7.524 -6.161 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.752 -6.755 -7.210 1.00 0.00 H new ATOM 786 N MET A 52 -4.589 -2.009 -6.244 1.00 0.00 N ATOM 787 CA MET A 52 -4.701 -0.961 -7.256 1.00 0.00 C ATOM 788 C MET A 52 -4.034 0.331 -6.776 1.00 0.00 C ATOM 789 O MET A 52 -3.375 1.035 -7.562 1.00 0.00 O ATOM 790 CB MET A 52 -6.168 -0.720 -7.616 1.00 0.00 C ATOM 791 CG MET A 52 -6.845 -1.911 -8.269 1.00 0.00 C ATOM 792 SD MET A 52 -8.605 -1.652 -8.566 1.00 0.00 S ATOM 793 CE MET A 52 -9.044 -3.240 -9.281 1.00 0.00 C ATOM 0 H MET A 52 -5.484 -2.304 -5.853 1.00 0.00 H new ATOM 0 HA MET A 52 -4.180 -1.292 -8.154 1.00 0.00 H new ATOM 0 HB2 MET A 52 -6.715 -0.455 -6.711 1.00 0.00 H new ATOM 0 HB3 MET A 52 -6.231 0.135 -8.289 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.351 -2.127 -9.216 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.715 -2.788 -7.634 1.00 0.00 H new ATOM 0 HE1 MET A 52 -10.107 -3.248 -9.524 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.463 -3.404 -10.188 1.00 0.00 H new ATOM 0 HE3 MET A 52 -8.830 -4.033 -8.565 1.00 0.00 H new ATOM 803 N GLU A 53 -4.181 0.621 -5.479 1.00 0.00 N ATOM 804 CA GLU A 53 -3.522 1.762 -4.858 1.00 0.00 C ATOM 805 C GLU A 53 -2.027 1.565 -4.848 1.00 0.00 C ATOM 806 O GLU A 53 -1.289 2.489 -5.086 1.00 0.00 O ATOM 807 CB GLU A 53 -3.984 1.986 -3.423 1.00 0.00 C ATOM 808 CG GLU A 53 -5.399 2.500 -3.262 1.00 0.00 C ATOM 809 CD GLU A 53 -5.641 3.798 -3.994 1.00 0.00 C ATOM 810 OE1 GLU A 53 -5.049 4.834 -3.646 1.00 0.00 O ATOM 811 OE2 GLU A 53 -6.456 3.812 -4.928 1.00 0.00 O ATOM 0 H GLU A 53 -4.756 0.073 -4.839 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.791 2.635 -5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.895 1.045 -2.881 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.304 2.693 -2.948 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.097 1.747 -3.628 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.610 2.642 -2.202 1.00 0.00 H new ATOM 818 N LEU A 54 -1.597 0.352 -4.568 1.00 0.00 N ATOM 819 CA LEU A 54 -0.191 0.006 -4.532 1.00 0.00 C ATOM 820 C LEU A 54 0.434 0.223 -5.888 1.00 0.00 C ATOM 821 O LEU A 54 1.498 0.809 -5.995 1.00 0.00 O ATOM 822 CB LEU A 54 -0.015 -1.436 -4.108 1.00 0.00 C ATOM 823 CG LEU A 54 1.413 -1.885 -3.843 1.00 0.00 C ATOM 824 CD1 LEU A 54 2.057 -1.014 -2.784 1.00 0.00 C ATOM 825 CD2 LEU A 54 1.416 -3.317 -3.400 1.00 0.00 C ATOM 0 H LEU A 54 -2.219 -0.428 -4.357 1.00 0.00 H new ATOM 0 HA LEU A 54 0.306 0.649 -3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.600 -1.602 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.438 -2.076 -4.883 1.00 0.00 H new ATOM 0 HG LEU A 54 1.988 -1.790 -4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.079 -1.351 -2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.070 0.022 -3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.487 -1.086 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.441 -3.637 -3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.830 -3.416 -2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.980 -3.940 -4.181 1.00 0.00 H new ATOM 837 N ILE A 55 -0.256 -0.238 -6.911 1.00 0.00 N ATOM 838 CA ILE A 55 0.152 -0.037 -8.296 1.00 0.00 C ATOM 839 C ILE A 55 0.293 1.472 -8.577 1.00 0.00 C ATOM 840 O ILE A 55 1.281 1.899 -9.136 1.00 0.00 O ATOM 841 CB ILE A 55 -0.863 -0.693 -9.280 1.00 0.00 C ATOM 842 CG1 ILE A 55 -0.940 -2.217 -9.034 1.00 0.00 C ATOM 843 CG2 ILE A 55 -0.464 -0.409 -10.722 1.00 0.00 C ATOM 844 CD1 ILE A 55 -2.043 -2.937 -9.799 1.00 0.00 C ATOM 0 H ILE A 55 -1.122 -0.767 -6.809 1.00 0.00 H new ATOM 0 HA ILE A 55 1.117 -0.520 -8.453 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.848 -0.261 -9.102 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.018 -2.662 -9.303 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.085 -2.391 -7.968 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.183 -0.874 -11.397 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.452 0.668 -10.891 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.529 -0.817 -10.912 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.016 -4.000 -9.561 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.011 -2.526 -9.514 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.892 -2.801 -10.870 1.00 0.00 H new ATOM 856 N LYS A 56 -0.682 2.256 -8.119 1.00 0.00 N ATOM 857 CA LYS A 56 -0.650 3.727 -8.202 1.00 0.00 C ATOM 858 C LYS A 56 0.642 4.290 -7.569 1.00 0.00 C ATOM 859 O LYS A 56 1.365 5.085 -8.196 1.00 0.00 O ATOM 860 CB LYS A 56 -1.872 4.290 -7.452 1.00 0.00 C ATOM 861 CG LYS A 56 -1.831 5.792 -7.165 1.00 0.00 C ATOM 862 CD LYS A 56 -2.960 6.233 -6.237 1.00 0.00 C ATOM 863 CE LYS A 56 -4.341 6.020 -6.837 1.00 0.00 C ATOM 864 NZ LYS A 56 -5.402 6.443 -5.901 1.00 0.00 N ATOM 0 H LYS A 56 -1.525 1.892 -7.676 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.673 4.022 -9.251 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.767 4.073 -8.036 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.972 3.759 -6.505 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.872 6.048 -6.715 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.899 6.342 -8.104 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.888 5.682 -5.300 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.834 7.289 -5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.427 6.583 -7.766 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.473 4.968 -7.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.323 6.104 -6.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.214 6.043 -4.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.417 7.481 -5.839 1.00 0.00 H new ATOM 878 N LYS A 57 0.918 3.851 -6.343 1.00 0.00 N ATOM 879 CA LYS A 57 2.064 4.312 -5.556 1.00 0.00 C ATOM 880 C LYS A 57 3.371 3.943 -6.228 1.00 0.00 C ATOM 881 O LYS A 57 4.213 4.807 -6.515 1.00 0.00 O ATOM 882 CB LYS A 57 2.062 3.671 -4.152 1.00 0.00 C ATOM 883 CG LYS A 57 0.776 3.799 -3.343 1.00 0.00 C ATOM 884 CD LYS A 57 0.335 5.234 -3.129 1.00 0.00 C ATOM 885 CE LYS A 57 1.247 5.961 -2.157 1.00 0.00 C ATOM 886 NZ LYS A 57 0.828 7.360 -1.976 1.00 0.00 N ATOM 0 H LYS A 57 0.347 3.157 -5.861 1.00 0.00 H new ATOM 0 HA LYS A 57 1.976 5.396 -5.477 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.291 2.611 -4.262 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.873 4.114 -3.574 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.020 3.255 -3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.918 3.322 -2.373 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.328 5.759 -4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.687 5.248 -2.750 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.239 5.449 -1.195 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.273 5.931 -2.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.470 7.831 -1.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.860 7.853 -2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.142 7.386 -1.602 1.00 0.00 H new ATOM 900 N VAL A 58 3.520 2.673 -6.492 1.00 0.00 N ATOM 901 CA VAL A 58 4.736 2.127 -7.015 1.00 0.00 C ATOM 902 C VAL A 58 4.998 2.551 -8.452 1.00 0.00 C ATOM 903 O VAL A 58 6.134 2.748 -8.826 1.00 0.00 O ATOM 904 CB VAL A 58 4.744 0.601 -6.867 1.00 0.00 C ATOM 905 CG1 VAL A 58 6.043 0.007 -7.386 1.00 0.00 C ATOM 906 CG2 VAL A 58 4.559 0.239 -5.403 1.00 0.00 C ATOM 0 H VAL A 58 2.786 1.980 -6.346 1.00 0.00 H new ATOM 0 HA VAL A 58 5.556 2.536 -6.425 1.00 0.00 H new ATOM 0 HB VAL A 58 3.926 0.189 -7.458 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.020 -1.076 -7.268 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.161 0.255 -8.441 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.881 0.416 -6.822 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.564 -0.845 -5.293 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.372 0.667 -4.817 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.608 0.635 -5.048 1.00 0.00 H new