USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 429 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 ASN : amide:sc= 0.599 K(o=0.7,f=-3.1!) USER MOD Set 1.2: A 14 ASN : amide:sc= 0.104 K(o=0.7,f=-0.39!) USER MOD Single : A 20 MET CE :methyl -174:sc= -0.671 (180deg=-0.731) USER MOD Single : A 21 MET CE :methyl -127:sc= -2.39! (180deg=-2.93!) USER MOD Single : A 23 GLN : amide:sc= -1.78 K(o=-1.8,f=-7.1!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0134) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 39:sc= 0.092 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 1.01 K(o=1,f=-0.0037) USER MOD Single : A 41 ASN : amide:sc= 0.776 K(o=0.78,f=-3.5!) USER MOD Single : A 47 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.74) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -165:sc= -2.04! (180deg=-2.91!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 3 3.144 2.497 7.315 1.00 0.00 N ATOM 71 CA ILE A 3 3.283 3.075 6.027 1.00 0.00 C ATOM 72 C ILE A 3 2.482 2.270 5.018 1.00 0.00 C ATOM 73 O ILE A 3 2.872 1.191 4.586 1.00 0.00 O ATOM 74 CB ILE A 3 4.788 3.252 5.643 1.00 0.00 C ATOM 75 CG1 ILE A 3 4.967 3.741 4.184 1.00 0.00 C ATOM 76 CG2 ILE A 3 5.603 1.995 5.957 1.00 0.00 C ATOM 77 CD1 ILE A 3 6.408 4.038 3.792 1.00 0.00 C ATOM 0 HA ILE A 3 2.870 4.084 6.029 1.00 0.00 H new ATOM 0 HB ILE A 3 5.191 4.045 6.272 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.568 2.984 3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.371 4.642 4.040 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.644 2.157 5.676 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.544 1.780 7.024 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.202 1.152 5.395 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.441 4.374 2.756 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.808 4.818 4.440 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.008 3.134 3.900 1.00 0.00 H new ATOM 89 N LEU A 4 1.321 2.798 4.706 1.00 0.00 N ATOM 90 CA LEU A 4 0.407 2.200 3.779 1.00 0.00 C ATOM 91 C LEU A 4 0.987 2.201 2.388 1.00 0.00 C ATOM 92 O LEU A 4 1.134 3.255 1.764 1.00 0.00 O ATOM 93 CB LEU A 4 -0.924 2.939 3.806 1.00 0.00 C ATOM 94 CG LEU A 4 -1.666 2.978 5.153 1.00 0.00 C ATOM 95 CD1 LEU A 4 -3.038 3.612 5.006 1.00 0.00 C ATOM 96 CD2 LEU A 4 -1.764 1.591 5.772 1.00 0.00 C ATOM 0 H LEU A 4 0.984 3.675 5.102 1.00 0.00 H new ATOM 0 HA LEU A 4 0.237 1.165 4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.750 3.966 3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.582 2.481 3.068 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.083 3.601 5.832 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.538 3.625 5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.930 4.633 4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.632 3.034 4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.294 1.653 6.723 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.306 0.929 5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.762 1.196 5.940 1.00 0.00 H new ATOM 108 N GLY A 5 1.311 1.040 1.919 1.00 0.00 N ATOM 109 CA GLY A 5 1.947 0.920 0.649 1.00 0.00 C ATOM 110 C GLY A 5 3.303 0.283 0.781 1.00 0.00 C ATOM 111 O GLY A 5 3.873 -0.163 -0.187 1.00 0.00 O ATOM 0 H GLY A 5 1.144 0.156 2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.325 0.323 -0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.047 1.906 0.194 1.00 0.00 H new ATOM 115 N ASP A 6 3.817 0.241 1.984 1.00 0.00 N ATOM 116 CA ASP A 6 5.090 -0.384 2.232 1.00 0.00 C ATOM 117 C ASP A 6 4.913 -1.566 3.160 1.00 0.00 C ATOM 118 O ASP A 6 4.987 -1.474 4.384 1.00 0.00 O ATOM 119 CB ASP A 6 6.119 0.621 2.711 1.00 0.00 C ATOM 120 CG ASP A 6 7.422 0.007 3.099 1.00 0.00 C ATOM 121 OD1 ASP A 6 7.957 -0.811 2.340 1.00 0.00 O ATOM 122 OD2 ASP A 6 7.964 0.367 4.133 1.00 0.00 O ATOM 0 H ASP A 6 3.370 0.635 2.812 1.00 0.00 H new ATOM 0 HA ASP A 6 5.489 -0.775 1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.293 1.353 1.923 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.714 1.163 3.566 1.00 0.00 H new ATOM 127 N LEU A 7 4.619 -2.659 2.529 1.00 0.00 N ATOM 128 CA LEU A 7 4.239 -3.904 3.141 1.00 0.00 C ATOM 129 C LEU A 7 5.426 -4.669 3.683 1.00 0.00 C ATOM 130 O LEU A 7 5.317 -5.372 4.683 1.00 0.00 O ATOM 131 CB LEU A 7 3.495 -4.767 2.116 1.00 0.00 C ATOM 132 CG LEU A 7 2.055 -4.359 1.710 1.00 0.00 C ATOM 133 CD1 LEU A 7 1.965 -2.999 1.048 1.00 0.00 C ATOM 134 CD2 LEU A 7 1.498 -5.378 0.791 1.00 0.00 C ATOM 0 H LEU A 7 4.638 -2.715 1.511 1.00 0.00 H new ATOM 0 HA LEU A 7 3.592 -3.670 3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.099 -4.798 1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.454 -5.784 2.507 1.00 0.00 H new ATOM 0 HG LEU A 7 1.482 -4.297 2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.927 -2.786 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.335 -2.236 1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.569 -2.995 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.486 -5.094 0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.123 -5.445 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.475 -6.346 1.292 1.00 0.00 H new ATOM 146 N ASN A 8 6.546 -4.554 3.011 1.00 0.00 N ATOM 147 CA ASN A 8 7.770 -5.264 3.421 1.00 0.00 C ATOM 148 C ASN A 8 8.635 -4.389 4.315 1.00 0.00 C ATOM 149 O ASN A 8 9.773 -4.734 4.625 1.00 0.00 O ATOM 150 CB ASN A 8 8.567 -5.751 2.199 1.00 0.00 C ATOM 151 CG ASN A 8 9.194 -4.646 1.377 1.00 0.00 C ATOM 152 OD1 ASN A 8 8.712 -3.528 1.309 1.00 0.00 O ATOM 153 ND2 ASN A 8 10.236 -4.967 0.715 1.00 0.00 N ATOM 0 H ASN A 8 6.652 -3.979 2.175 1.00 0.00 H new ATOM 0 HA ASN A 8 7.467 -6.140 3.995 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.354 -6.424 2.539 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.905 -6.333 1.558 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.687 -4.281 0.110 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.618 -5.910 0.791 1.00 0.00 H new ATOM 160 N ASP A 9 8.060 -3.261 4.686 1.00 0.00 N ATOM 161 CA ASP A 9 8.623 -2.245 5.583 1.00 0.00 C ATOM 162 C ASP A 9 10.074 -1.886 5.286 1.00 0.00 C ATOM 163 O ASP A 9 10.996 -2.111 6.074 1.00 0.00 O ATOM 164 CB ASP A 9 8.293 -2.439 7.113 1.00 0.00 C ATOM 165 CG ASP A 9 9.001 -3.584 7.842 1.00 0.00 C ATOM 166 OD1 ASP A 9 8.783 -4.759 7.520 1.00 0.00 O ATOM 167 OD2 ASP A 9 9.738 -3.309 8.832 1.00 0.00 O ATOM 0 H ASP A 9 7.130 -3.005 4.354 1.00 0.00 H new ATOM 0 HA ASP A 9 8.065 -1.344 5.328 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.532 -1.510 7.631 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.218 -2.590 7.210 1.00 0.00 H new ATOM 172 N ASP A 10 10.276 -1.366 4.105 1.00 0.00 N ATOM 173 CA ASP A 10 11.593 -0.951 3.661 1.00 0.00 C ATOM 174 C ASP A 10 11.674 0.565 3.528 1.00 0.00 C ATOM 175 O ASP A 10 12.742 1.128 3.262 1.00 0.00 O ATOM 176 CB ASP A 10 12.075 -1.700 2.376 1.00 0.00 C ATOM 177 CG ASP A 10 11.221 -1.523 1.128 1.00 0.00 C ATOM 178 OD1 ASP A 10 11.268 -2.401 0.233 1.00 0.00 O ATOM 179 OD2 ASP A 10 10.427 -0.581 1.032 1.00 0.00 O ATOM 0 H ASP A 10 9.537 -1.215 3.419 1.00 0.00 H new ATOM 0 HA ASP A 10 12.297 -1.247 4.438 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.088 -1.368 2.147 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.132 -2.765 2.602 1.00 0.00 H new ATOM 184 N GLY A 11 10.542 1.216 3.733 1.00 0.00 N ATOM 185 CA GLY A 11 10.483 2.654 3.754 1.00 0.00 C ATOM 186 C GLY A 11 10.052 3.273 2.458 1.00 0.00 C ATOM 187 O GLY A 11 10.021 4.497 2.339 1.00 0.00 O ATOM 0 H GLY A 11 9.644 0.757 3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.794 2.966 4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.466 3.042 4.019 1.00 0.00 H new ATOM 191 N VAL A 12 9.708 2.469 1.491 1.00 0.00 N ATOM 192 CA VAL A 12 9.358 2.993 0.191 1.00 0.00 C ATOM 193 C VAL A 12 8.362 2.078 -0.524 1.00 0.00 C ATOM 194 O VAL A 12 8.381 0.856 -0.332 1.00 0.00 O ATOM 195 CB VAL A 12 10.668 3.197 -0.663 1.00 0.00 C ATOM 196 CG1 VAL A 12 11.477 1.911 -0.766 1.00 0.00 C ATOM 197 CG2 VAL A 12 10.384 3.771 -2.044 1.00 0.00 C ATOM 0 H VAL A 12 9.661 1.453 1.572 1.00 0.00 H new ATOM 0 HA VAL A 12 8.868 3.958 0.318 1.00 0.00 H new ATOM 0 HB VAL A 12 11.268 3.934 -0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.372 2.091 -1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.766 1.582 0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.873 1.139 -1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.321 3.891 -2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.730 3.093 -2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.897 4.741 -1.942 1.00 0.00 H new ATOM 207 N VAL A 13 7.458 2.671 -1.277 1.00 0.00 N ATOM 208 CA VAL A 13 6.553 1.931 -2.115 1.00 0.00 C ATOM 209 C VAL A 13 7.310 1.432 -3.361 1.00 0.00 C ATOM 210 O VAL A 13 7.646 2.206 -4.262 1.00 0.00 O ATOM 211 CB VAL A 13 5.297 2.783 -2.498 1.00 0.00 C ATOM 212 CG1 VAL A 13 4.405 2.964 -1.284 1.00 0.00 C ATOM 213 CG2 VAL A 13 5.688 4.165 -3.040 1.00 0.00 C ATOM 0 H VAL A 13 7.335 3.683 -1.321 1.00 0.00 H new ATOM 0 HA VAL A 13 6.180 1.069 -1.563 1.00 0.00 H new ATOM 0 HB VAL A 13 4.765 2.244 -3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.533 3.558 -1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.080 1.988 -0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.960 3.476 -0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.788 4.724 -3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.250 4.708 -2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.304 4.045 -3.931 1.00 0.00 H new ATOM 223 N ASN A 14 7.693 0.173 -3.317 1.00 0.00 N ATOM 224 CA ASN A 14 8.450 -0.462 -4.377 1.00 0.00 C ATOM 225 C ASN A 14 7.784 -1.748 -4.858 1.00 0.00 C ATOM 226 O ASN A 14 6.783 -2.184 -4.295 1.00 0.00 O ATOM 227 CB ASN A 14 9.937 -0.670 -3.989 1.00 0.00 C ATOM 228 CG ASN A 14 10.212 -1.568 -2.802 1.00 0.00 C ATOM 229 OD1 ASN A 14 9.373 -1.799 -1.933 1.00 0.00 O ATOM 230 ND2 ASN A 14 11.410 -2.028 -2.714 1.00 0.00 N ATOM 0 H ASN A 14 7.485 -0.447 -2.534 1.00 0.00 H new ATOM 0 HA ASN A 14 8.450 0.223 -5.225 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.460 -1.079 -4.853 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.375 0.307 -3.785 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.680 -2.597 -1.912 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.090 -1.824 -3.447 1.00 0.00 H new ATOM 237 N GLY A 15 8.379 -2.381 -5.864 1.00 0.00 N ATOM 238 CA GLY A 15 7.829 -3.597 -6.482 1.00 0.00 C ATOM 239 C GLY A 15 7.753 -4.785 -5.533 1.00 0.00 C ATOM 240 O GLY A 15 6.944 -5.691 -5.723 1.00 0.00 O ATOM 0 H GLY A 15 9.257 -2.070 -6.279 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.830 -3.381 -6.861 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.444 -3.868 -7.340 1.00 0.00 H new ATOM 244 N ARG A 16 8.576 -4.759 -4.497 1.00 0.00 N ATOM 245 CA ARG A 16 8.596 -5.812 -3.486 1.00 0.00 C ATOM 246 C ARG A 16 7.284 -5.841 -2.722 1.00 0.00 C ATOM 247 O ARG A 16 6.843 -6.897 -2.273 1.00 0.00 O ATOM 248 CB ARG A 16 9.721 -5.588 -2.491 1.00 0.00 C ATOM 249 CG ARG A 16 11.115 -5.544 -3.076 1.00 0.00 C ATOM 250 CD ARG A 16 11.496 -6.849 -3.751 1.00 0.00 C ATOM 251 NE ARG A 16 12.878 -6.804 -4.232 1.00 0.00 N ATOM 252 CZ ARG A 16 13.279 -7.071 -5.483 1.00 0.00 C ATOM 253 NH1 ARG A 16 12.421 -7.507 -6.397 1.00 0.00 N ATOM 254 NH2 ARG A 16 14.552 -6.923 -5.809 1.00 0.00 N ATOM 0 H ARG A 16 9.249 -4.011 -4.330 1.00 0.00 H new ATOM 0 HA ARG A 16 8.748 -6.758 -4.005 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.537 -4.650 -1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.685 -6.382 -1.745 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.178 -4.731 -3.799 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.832 -5.323 -2.285 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.378 -7.674 -3.049 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.822 -7.042 -4.586 1.00 0.00 H new ATOM 0 HE ARG A 16 13.598 -6.547 -3.557 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.440 -7.643 -6.152 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.742 -7.706 -7.345 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.224 -6.607 -5.110 1.00 0.00 H new ATOM 0 HH22 ARG A 16 14.862 -7.125 -6.760 1.00 0.00 H new ATOM 268 N ASP A 17 6.658 -4.676 -2.594 1.00 0.00 N ATOM 269 CA ASP A 17 5.399 -4.543 -1.883 1.00 0.00 C ATOM 270 C ASP A 17 4.308 -5.243 -2.635 1.00 0.00 C ATOM 271 O ASP A 17 3.462 -5.885 -2.038 1.00 0.00 O ATOM 272 CB ASP A 17 5.038 -3.086 -1.677 1.00 0.00 C ATOM 273 CG ASP A 17 6.068 -2.360 -0.856 1.00 0.00 C ATOM 274 OD1 ASP A 17 6.301 -2.715 0.296 1.00 0.00 O ATOM 275 OD2 ASP A 17 6.726 -1.445 -1.339 1.00 0.00 O ATOM 0 H ASP A 17 7.011 -3.801 -2.981 1.00 0.00 H new ATOM 0 HA ASP A 17 5.513 -5.005 -0.902 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.937 -2.597 -2.646 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.068 -3.019 -1.184 1.00 0.00 H new ATOM 280 N ILE A 18 4.359 -5.121 -3.963 1.00 0.00 N ATOM 281 CA ILE A 18 3.447 -5.802 -4.898 1.00 0.00 C ATOM 282 C ILE A 18 3.420 -7.293 -4.618 1.00 0.00 C ATOM 283 O ILE A 18 2.356 -7.902 -4.547 1.00 0.00 O ATOM 284 CB ILE A 18 3.877 -5.560 -6.402 1.00 0.00 C ATOM 285 CG1 ILE A 18 3.514 -4.164 -6.901 1.00 0.00 C ATOM 286 CG2 ILE A 18 3.288 -6.600 -7.354 1.00 0.00 C ATOM 287 CD1 ILE A 18 4.071 -3.022 -6.140 1.00 0.00 C ATOM 0 H ILE A 18 5.049 -4.535 -4.433 1.00 0.00 H new ATOM 0 HA ILE A 18 2.452 -5.383 -4.749 1.00 0.00 H new ATOM 0 HB ILE A 18 4.963 -5.658 -6.402 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.843 -4.076 -7.936 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.428 -4.075 -6.903 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.614 -6.387 -8.372 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.629 -7.594 -7.064 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.200 -6.562 -7.306 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.741 -2.087 -6.593 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.723 -3.068 -5.108 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.160 -3.069 -6.158 1.00 0.00 H new ATOM 299 N VAL A 19 4.599 -7.849 -4.432 1.00 0.00 N ATOM 300 CA VAL A 19 4.769 -9.266 -4.147 1.00 0.00 C ATOM 301 C VAL A 19 4.042 -9.617 -2.866 1.00 0.00 C ATOM 302 O VAL A 19 3.189 -10.482 -2.864 1.00 0.00 O ATOM 303 CB VAL A 19 6.260 -9.640 -3.988 1.00 0.00 C ATOM 304 CG1 VAL A 19 6.452 -11.151 -3.931 1.00 0.00 C ATOM 305 CG2 VAL A 19 7.097 -9.016 -5.086 1.00 0.00 C ATOM 0 H VAL A 19 5.476 -7.329 -4.474 1.00 0.00 H new ATOM 0 HA VAL A 19 4.358 -9.824 -4.988 1.00 0.00 H new ATOM 0 HB VAL A 19 6.605 -9.234 -3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.512 -11.379 -3.819 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.902 -11.556 -3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.080 -11.600 -4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.142 -9.295 -4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.749 -9.372 -6.056 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.003 -7.931 -5.043 1.00 0.00 H new ATOM 315 N MET A 20 4.332 -8.855 -1.810 1.00 0.00 N ATOM 316 CA MET A 20 3.771 -9.074 -0.456 1.00 0.00 C ATOM 317 C MET A 20 2.242 -8.962 -0.486 1.00 0.00 C ATOM 318 O MET A 20 1.532 -9.737 0.165 1.00 0.00 O ATOM 319 CB MET A 20 4.320 -8.024 0.510 1.00 0.00 C ATOM 320 CG MET A 20 5.833 -7.865 0.478 1.00 0.00 C ATOM 321 SD MET A 20 6.752 -9.260 1.148 1.00 0.00 S ATOM 322 CE MET A 20 6.485 -9.016 2.899 1.00 0.00 C ATOM 0 H MET A 20 4.968 -8.059 -1.861 1.00 0.00 H new ATOM 0 HA MET A 20 4.056 -10.072 -0.125 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.862 -7.062 0.280 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.017 -8.287 1.523 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.146 -7.704 -0.554 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.102 -6.969 1.037 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.078 -9.737 3.461 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.785 -8.005 3.175 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.429 -9.157 3.129 1.00 0.00 H new ATOM 332 N MET A 21 1.769 -7.980 -1.253 1.00 0.00 N ATOM 333 CA MET A 21 0.344 -7.710 -1.497 1.00 0.00 C ATOM 334 C MET A 21 -0.293 -8.955 -2.055 1.00 0.00 C ATOM 335 O MET A 21 -1.212 -9.515 -1.466 1.00 0.00 O ATOM 336 CB MET A 21 0.243 -6.591 -2.549 1.00 0.00 C ATOM 337 CG MET A 21 -1.153 -6.028 -2.900 1.00 0.00 C ATOM 338 SD MET A 21 -1.780 -4.708 -1.819 1.00 0.00 S ATOM 339 CE MET A 21 -2.115 -5.523 -0.276 1.00 0.00 C ATOM 0 H MET A 21 2.383 -7.327 -1.739 1.00 0.00 H new ATOM 0 HA MET A 21 -0.155 -7.415 -0.574 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.859 -5.759 -2.207 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.691 -6.962 -3.471 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.123 -5.649 -3.922 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.868 -6.851 -2.886 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.139 -5.312 0.032 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.986 -6.599 -0.397 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.425 -5.159 0.485 1.00 0.00 H new ATOM 349 N ARG A 22 0.279 -9.414 -3.159 1.00 0.00 N ATOM 350 CA ARG A 22 -0.185 -10.571 -3.894 1.00 0.00 C ATOM 351 C ARG A 22 -0.134 -11.849 -3.059 1.00 0.00 C ATOM 352 O ARG A 22 -0.968 -12.728 -3.247 1.00 0.00 O ATOM 353 CB ARG A 22 0.624 -10.749 -5.171 1.00 0.00 C ATOM 354 CG ARG A 22 0.396 -9.702 -6.252 1.00 0.00 C ATOM 355 CD ARG A 22 1.333 -9.961 -7.418 1.00 0.00 C ATOM 356 NE ARG A 22 1.164 -9.029 -8.548 1.00 0.00 N ATOM 357 CZ ARG A 22 1.745 -9.181 -9.762 1.00 0.00 C ATOM 358 NH1 ARG A 22 2.469 -10.265 -10.030 1.00 0.00 N ATOM 359 NH2 ARG A 22 1.594 -8.249 -10.692 1.00 0.00 N ATOM 0 H ARG A 22 1.101 -8.976 -3.576 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.229 -10.389 -4.148 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.682 -10.750 -4.911 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.397 -11.730 -5.588 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.640 -9.734 -6.591 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.569 -8.704 -5.848 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.362 -9.901 -7.063 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.178 -10.979 -7.775 1.00 0.00 H new ATOM 0 HE ARG A 22 0.568 -8.213 -8.406 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.589 -10.987 -9.319 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.904 -10.374 -10.946 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.040 -7.416 -10.494 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.032 -8.365 -11.606 1.00 0.00 H new ATOM 373 N GLN A 23 0.839 -11.950 -2.148 1.00 0.00 N ATOM 374 CA GLN A 23 0.953 -13.102 -1.274 1.00 0.00 C ATOM 375 C GLN A 23 -0.261 -13.217 -0.379 1.00 0.00 C ATOM 376 O GLN A 23 -0.936 -14.242 -0.368 1.00 0.00 O ATOM 377 CB GLN A 23 2.157 -12.992 -0.370 1.00 0.00 C ATOM 378 CG GLN A 23 3.511 -12.808 -1.022 1.00 0.00 C ATOM 379 CD GLN A 23 3.937 -13.933 -1.942 1.00 0.00 C ATOM 380 OE1 GLN A 23 3.137 -14.567 -2.616 1.00 0.00 O ATOM 381 NE2 GLN A 23 5.195 -14.210 -1.951 1.00 0.00 N ATOM 0 H GLN A 23 1.557 -11.240 -2.003 1.00 0.00 H new ATOM 0 HA GLN A 23 1.045 -13.974 -1.922 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.993 -12.153 0.306 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.199 -13.892 0.243 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.500 -11.878 -1.591 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.262 -12.695 -0.240 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.841 -13.666 -1.380 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.545 -14.974 -2.530 1.00 0.00 H new ATOM 390 N TYR A 24 -0.543 -12.147 0.360 1.00 0.00 N ATOM 391 CA TYR A 24 -1.643 -12.131 1.305 1.00 0.00 C ATOM 392 C TYR A 24 -2.970 -12.251 0.573 1.00 0.00 C ATOM 393 O TYR A 24 -3.868 -12.957 1.010 1.00 0.00 O ATOM 394 CB TYR A 24 -1.587 -10.857 2.126 1.00 0.00 C ATOM 395 CG TYR A 24 -2.559 -10.816 3.296 1.00 0.00 C ATOM 396 CD1 TYR A 24 -2.126 -11.053 4.587 1.00 0.00 C ATOM 397 CD2 TYR A 24 -3.903 -10.543 3.102 1.00 0.00 C ATOM 398 CE1 TYR A 24 -3.004 -11.021 5.649 1.00 0.00 C ATOM 399 CE2 TYR A 24 -4.781 -10.508 4.140 1.00 0.00 C ATOM 400 CZ TYR A 24 -4.335 -10.747 5.421 1.00 0.00 C ATOM 401 OH TYR A 24 -5.220 -10.716 6.477 1.00 0.00 O ATOM 0 H TYR A 24 -0.016 -11.275 0.317 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.555 -12.984 1.978 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.574 -10.730 2.507 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.790 -10.009 1.472 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.083 -11.267 4.767 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.263 -10.353 2.101 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.651 -11.209 6.652 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.824 -10.294 3.960 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.118 -10.508 6.145 1.00 0.00 H new ATOM 411 N LEU A 25 -3.068 -11.560 -0.537 1.00 0.00 N ATOM 412 CA LEU A 25 -4.251 -11.640 -1.436 1.00 0.00 C ATOM 413 C LEU A 25 -4.489 -13.078 -1.937 1.00 0.00 C ATOM 414 O LEU A 25 -5.613 -13.464 -2.249 1.00 0.00 O ATOM 415 CB LEU A 25 -4.120 -10.695 -2.643 1.00 0.00 C ATOM 416 CG LEU A 25 -4.124 -9.186 -2.360 1.00 0.00 C ATOM 417 CD1 LEU A 25 -3.892 -8.422 -3.643 1.00 0.00 C ATOM 418 CD2 LEU A 25 -5.434 -8.730 -1.729 1.00 0.00 C ATOM 0 H LEU A 25 -2.344 -10.920 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.108 -11.327 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.193 -10.938 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.937 -10.911 -3.331 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.320 -8.983 -1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.896 -7.352 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.928 -8.706 -4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.684 -8.656 -4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.395 -7.656 -1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.260 -8.953 -2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.585 -9.254 -0.786 1.00 0.00 H new ATOM 430 N ALA A 26 -3.424 -13.857 -2.016 1.00 0.00 N ATOM 431 CA ALA A 26 -3.508 -15.263 -2.418 1.00 0.00 C ATOM 432 C ALA A 26 -3.795 -16.156 -1.209 1.00 0.00 C ATOM 433 O ALA A 26 -3.974 -17.373 -1.342 1.00 0.00 O ATOM 434 CB ALA A 26 -2.218 -15.702 -3.096 1.00 0.00 C ATOM 0 H ALA A 26 -2.477 -13.541 -1.806 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.330 -15.364 -3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.298 -16.749 -3.388 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.046 -15.091 -3.982 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.384 -15.581 -2.404 1.00 0.00 H new ATOM 440 N GLY A 27 -3.829 -15.548 -0.040 1.00 0.00 N ATOM 441 CA GLY A 27 -4.088 -16.254 1.179 1.00 0.00 C ATOM 442 C GLY A 27 -2.845 -16.869 1.778 1.00 0.00 C ATOM 443 O GLY A 27 -2.936 -17.756 2.622 1.00 0.00 O ATOM 0 H GLY A 27 -3.676 -14.547 0.082 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.533 -15.570 1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.820 -17.039 0.990 1.00 0.00 H new ATOM 447 N LYS A 28 -1.682 -16.410 1.355 1.00 0.00 N ATOM 448 CA LYS A 28 -0.443 -16.955 1.870 1.00 0.00 C ATOM 449 C LYS A 28 -0.076 -16.249 3.151 1.00 0.00 C ATOM 450 O LYS A 28 -0.422 -15.070 3.359 1.00 0.00 O ATOM 451 CB LYS A 28 0.729 -16.799 0.885 1.00 0.00 C ATOM 452 CG LYS A 28 0.476 -17.278 -0.528 1.00 0.00 C ATOM 453 CD LYS A 28 1.717 -17.047 -1.373 1.00 0.00 C ATOM 454 CE LYS A 28 1.519 -17.430 -2.831 1.00 0.00 C ATOM 455 NZ LYS A 28 1.298 -18.872 -3.002 1.00 0.00 N ATOM 0 H LYS A 28 -1.571 -15.669 0.663 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.611 -18.019 2.035 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.007 -15.746 0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.587 -17.341 1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.219 -18.337 -0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.373 -16.746 -0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.000 -15.996 -1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.544 -17.624 -0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.667 -16.883 -3.236 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.394 -17.128 -3.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.219 -19.093 -4.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.098 -19.397 -2.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.420 -19.149 -2.518 1.00 0.00 H new ATOM 469 N THR A 29 0.597 -16.947 3.988 1.00 0.00 N ATOM 470 CA THR A 29 1.096 -16.417 5.206 1.00 0.00 C ATOM 471 C THR A 29 2.454 -15.780 4.900 1.00 0.00 C ATOM 472 O THR A 29 3.424 -16.481 4.595 1.00 0.00 O ATOM 473 CB THR A 29 1.227 -17.544 6.252 1.00 0.00 C ATOM 474 OG1 THR A 29 -0.055 -18.201 6.395 1.00 0.00 O ATOM 475 CG2 THR A 29 1.652 -16.986 7.593 1.00 0.00 C ATOM 0 H THR A 29 0.824 -17.931 3.843 1.00 0.00 H new ATOM 0 HA THR A 29 0.421 -15.668 5.620 1.00 0.00 H new ATOM 0 HB THR A 29 1.984 -18.252 5.915 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.018 -18.920 7.057 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.738 -17.799 8.315 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.616 -16.488 7.491 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.908 -16.269 7.941 1.00 0.00 H new ATOM 483 N VAL A 30 2.511 -14.474 4.905 1.00 0.00 N ATOM 484 CA VAL A 30 3.704 -13.795 4.502 1.00 0.00 C ATOM 485 C VAL A 30 4.574 -13.536 5.717 1.00 0.00 C ATOM 486 O VAL A 30 4.170 -12.811 6.636 1.00 0.00 O ATOM 487 CB VAL A 30 3.397 -12.451 3.801 1.00 0.00 C ATOM 488 CG1 VAL A 30 4.559 -12.009 2.926 1.00 0.00 C ATOM 489 CG2 VAL A 30 2.101 -12.498 3.012 1.00 0.00 C ATOM 0 H VAL A 30 1.743 -13.864 5.184 1.00 0.00 H new ATOM 0 HA VAL A 30 4.224 -14.435 3.789 1.00 0.00 H new ATOM 0 HB VAL A 30 3.264 -11.706 4.586 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.314 -11.061 2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.451 -11.884 3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.747 -12.764 2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.928 -11.532 2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.169 -13.271 2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.274 -12.725 3.684 1.00 0.00 H new ATOM 499 N SER A 31 5.702 -14.183 5.765 1.00 0.00 N ATOM 500 CA SER A 31 6.631 -13.986 6.829 1.00 0.00 C ATOM 501 C SER A 31 7.391 -12.671 6.629 1.00 0.00 C ATOM 502 O SER A 31 8.095 -12.499 5.616 1.00 0.00 O ATOM 503 CB SER A 31 7.566 -15.195 6.903 1.00 0.00 C ATOM 504 OG SER A 31 8.084 -15.518 5.615 1.00 0.00 O ATOM 0 H SER A 31 6.000 -14.862 5.065 1.00 0.00 H new ATOM 0 HA SER A 31 6.107 -13.906 7.781 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.388 -14.983 7.587 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.027 -16.052 7.308 1.00 0.00 H new ATOM 0 HG SER A 31 8.282 -14.692 5.126 1.00 0.00 H new ATOM 510 N GLY A 32 7.221 -11.746 7.550 1.00 0.00 N ATOM 511 CA GLY A 32 7.911 -10.495 7.467 1.00 0.00 C ATOM 512 C GLY A 32 7.113 -9.441 6.742 1.00 0.00 C ATOM 513 O GLY A 32 7.675 -8.619 6.015 1.00 0.00 O ATOM 0 H GLY A 32 6.610 -11.845 8.360 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.141 -10.144 8.473 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.862 -10.642 6.955 1.00 0.00 H new ATOM 517 N ILE A 33 5.814 -9.471 6.889 1.00 0.00 N ATOM 518 CA ILE A 33 4.982 -8.483 6.283 1.00 0.00 C ATOM 519 C ILE A 33 4.385 -7.606 7.374 1.00 0.00 C ATOM 520 O ILE A 33 4.151 -8.073 8.508 1.00 0.00 O ATOM 521 CB ILE A 33 3.847 -9.147 5.430 1.00 0.00 C ATOM 522 CG1 ILE A 33 3.166 -8.121 4.513 1.00 0.00 C ATOM 523 CG2 ILE A 33 2.808 -9.835 6.316 1.00 0.00 C ATOM 524 CD1 ILE A 33 2.160 -8.750 3.553 1.00 0.00 C ATOM 0 H ILE A 33 5.313 -10.177 7.429 1.00 0.00 H new ATOM 0 HA ILE A 33 5.584 -7.874 5.609 1.00 0.00 H new ATOM 0 HB ILE A 33 4.319 -9.907 4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.658 -7.376 5.126 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.928 -7.595 3.938 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.037 -10.284 5.690 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.292 -10.611 6.909 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.354 -9.101 6.981 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.714 -7.973 2.933 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.668 -9.475 2.917 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.379 -9.253 4.123 1.00 0.00 H new ATOM 536 N ASP A 34 4.207 -6.347 7.090 1.00 0.00 N ATOM 537 CA ASP A 34 3.491 -5.501 8.018 1.00 0.00 C ATOM 538 C ASP A 34 2.065 -5.594 7.583 1.00 0.00 C ATOM 539 O ASP A 34 1.685 -4.947 6.620 1.00 0.00 O ATOM 540 CB ASP A 34 3.934 -4.030 7.964 1.00 0.00 C ATOM 541 CG ASP A 34 3.400 -3.227 9.149 1.00 0.00 C ATOM 542 OD1 ASP A 34 2.165 -3.172 9.365 1.00 0.00 O ATOM 543 OD2 ASP A 34 4.217 -2.626 9.885 1.00 0.00 O ATOM 0 H ASP A 34 4.538 -5.885 6.243 1.00 0.00 H new ATOM 0 HA ASP A 34 3.672 -5.828 9.042 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.023 -3.980 7.953 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.585 -3.580 7.035 1.00 0.00 H new ATOM 548 N LYS A 35 1.290 -6.429 8.264 1.00 0.00 N ATOM 549 CA LYS A 35 -0.080 -6.772 7.868 1.00 0.00 C ATOM 550 C LYS A 35 -0.983 -5.524 7.789 1.00 0.00 C ATOM 551 O LYS A 35 -1.952 -5.482 7.017 1.00 0.00 O ATOM 552 CB LYS A 35 -0.685 -7.763 8.870 1.00 0.00 C ATOM 553 CG LYS A 35 -1.906 -8.525 8.342 1.00 0.00 C ATOM 554 CD LYS A 35 -2.751 -9.122 9.481 1.00 0.00 C ATOM 555 CE LYS A 35 -1.978 -10.108 10.356 1.00 0.00 C ATOM 556 NZ LYS A 35 -1.595 -11.331 9.626 1.00 0.00 N ATOM 0 H LYS A 35 1.594 -6.896 9.118 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.028 -7.223 6.877 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.081 -8.483 9.160 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.971 -7.222 9.772 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.524 -7.852 7.747 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.575 -9.324 7.679 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.130 -8.313 10.105 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.617 -9.628 9.054 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.081 -9.622 10.740 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.588 -10.379 11.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.074 -11.967 10.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.450 -11.812 9.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.991 -11.078 8.818 1.00 0.00 H new ATOM 570 N ASN A 36 -0.625 -4.503 8.542 1.00 0.00 N ATOM 571 CA ASN A 36 -1.404 -3.298 8.635 1.00 0.00 C ATOM 572 C ASN A 36 -1.214 -2.455 7.384 1.00 0.00 C ATOM 573 O ASN A 36 -2.148 -1.792 6.935 1.00 0.00 O ATOM 574 CB ASN A 36 -0.971 -2.458 9.836 1.00 0.00 C ATOM 575 CG ASN A 36 -0.875 -3.212 11.130 1.00 0.00 C ATOM 576 OD1 ASN A 36 -1.845 -3.354 11.867 1.00 0.00 O ATOM 577 ND2 ASN A 36 0.307 -3.659 11.442 1.00 0.00 N ATOM 0 H ASN A 36 0.223 -4.493 9.109 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.448 -3.590 8.747 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.000 -2.012 9.619 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.678 -1.638 9.961 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.451 -4.147 12.326 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.090 -3.521 10.802 1.00 0.00 H new ATOM 584 N ALA A 37 -0.027 -2.568 6.763 1.00 0.00 N ATOM 585 CA ALA A 37 0.369 -1.706 5.654 1.00 0.00 C ATOM 586 C ALA A 37 -0.287 -2.099 4.342 1.00 0.00 C ATOM 587 O ALA A 37 -0.122 -1.414 3.330 1.00 0.00 O ATOM 588 CB ALA A 37 1.877 -1.719 5.517 1.00 0.00 C ATOM 0 H ALA A 37 0.677 -3.259 7.020 1.00 0.00 H new ATOM 0 HA ALA A 37 0.025 -0.697 5.883 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.173 -1.075 4.689 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.329 -1.354 6.439 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.216 -2.737 5.324 1.00 0.00 H new ATOM 594 N LEU A 38 -1.032 -3.185 4.377 1.00 0.00 N ATOM 595 CA LEU A 38 -1.711 -3.718 3.208 1.00 0.00 C ATOM 596 C LEU A 38 -2.971 -2.986 2.903 1.00 0.00 C ATOM 597 O LEU A 38 -3.398 -2.955 1.770 1.00 0.00 O ATOM 598 CB LEU A 38 -2.052 -5.195 3.364 1.00 0.00 C ATOM 599 CG LEU A 38 -0.928 -6.203 3.242 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.055 -6.075 4.325 1.00 0.00 C ATOM 601 CD2 LEU A 38 -1.475 -7.577 3.218 1.00 0.00 C ATOM 0 H LEU A 38 -1.186 -3.730 5.225 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.006 -3.588 2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.515 -5.329 4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.806 -5.444 2.617 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.411 -5.997 2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.841 -6.819 4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.493 -5.077 4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.438 -6.234 5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.658 -8.293 3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.025 -7.766 4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.146 -7.687 2.366 1.00 0.00 H new ATOM 613 N ASP A 39 -3.584 -2.410 3.906 1.00 0.00 N ATOM 614 CA ASP A 39 -4.821 -1.700 3.696 1.00 0.00 C ATOM 615 C ASP A 39 -4.504 -0.266 3.359 1.00 0.00 C ATOM 616 O ASP A 39 -4.547 0.632 4.195 1.00 0.00 O ATOM 617 CB ASP A 39 -5.753 -1.850 4.885 1.00 0.00 C ATOM 618 CG ASP A 39 -7.076 -1.146 4.712 1.00 0.00 C ATOM 619 OD1 ASP A 39 -7.717 -1.259 3.627 1.00 0.00 O ATOM 620 OD2 ASP A 39 -7.534 -0.500 5.666 1.00 0.00 O ATOM 0 H ASP A 39 -3.250 -2.418 4.870 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.364 -2.130 2.854 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.936 -2.910 5.060 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.258 -1.461 5.775 1.00 0.00 H new ATOM 625 N ILE A 40 -4.115 -0.104 2.124 1.00 0.00 N ATOM 626 CA ILE A 40 -3.586 1.114 1.586 1.00 0.00 C ATOM 627 C ILE A 40 -4.660 2.164 1.372 1.00 0.00 C ATOM 628 O ILE A 40 -4.427 3.353 1.594 1.00 0.00 O ATOM 629 CB ILE A 40 -2.783 0.827 0.284 1.00 0.00 C ATOM 630 CG1 ILE A 40 -1.778 -0.290 0.574 1.00 0.00 C ATOM 631 CG2 ILE A 40 -2.046 2.080 -0.171 1.00 0.00 C ATOM 632 CD1 ILE A 40 -1.134 -0.896 -0.637 1.00 0.00 C ATOM 0 H ILE A 40 -4.162 -0.855 1.435 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.900 1.533 2.322 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.465 0.524 -0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.996 0.105 1.223 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.285 -1.079 1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.489 1.864 -1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.766 2.875 -0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.355 2.399 0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.439 -1.677 -0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.901 -1.327 -1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.593 -0.125 -1.185 1.00 0.00 H new ATOM 644 N ASN A 41 -5.844 1.733 0.985 1.00 0.00 N ATOM 645 CA ASN A 41 -6.936 2.676 0.769 1.00 0.00 C ATOM 646 C ASN A 41 -7.654 2.974 2.089 1.00 0.00 C ATOM 647 O ASN A 41 -8.498 3.866 2.159 1.00 0.00 O ATOM 648 CB ASN A 41 -7.932 2.173 -0.302 1.00 0.00 C ATOM 649 CG ASN A 41 -8.865 1.067 0.153 1.00 0.00 C ATOM 650 OD1 ASN A 41 -8.556 0.268 1.027 1.00 0.00 O ATOM 651 ND2 ASN A 41 -10.000 0.986 -0.454 1.00 0.00 N ATOM 0 H ASN A 41 -6.078 0.755 0.815 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.502 3.602 0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.533 3.017 -0.641 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.366 1.818 -1.163 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.658 0.247 -0.208 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.240 1.661 -1.180 1.00 0.00 H new ATOM 658 N GLY A 42 -7.295 2.214 3.125 1.00 0.00 N ATOM 659 CA GLY A 42 -7.865 2.395 4.449 1.00 0.00 C ATOM 660 C GLY A 42 -9.348 2.035 4.549 1.00 0.00 C ATOM 661 O GLY A 42 -10.162 2.868 4.927 1.00 0.00 O ATOM 0 H GLY A 42 -6.607 1.464 3.065 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.306 1.785 5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.734 3.435 4.749 1.00 0.00 H new ATOM 665 N ASP A 43 -9.711 0.812 4.215 1.00 0.00 N ATOM 666 CA ASP A 43 -11.121 0.381 4.315 1.00 0.00 C ATOM 667 C ASP A 43 -11.312 -0.721 5.350 1.00 0.00 C ATOM 668 O ASP A 43 -12.448 -1.114 5.662 1.00 0.00 O ATOM 669 CB ASP A 43 -11.775 0.000 2.954 1.00 0.00 C ATOM 670 CG ASP A 43 -11.096 -1.118 2.191 1.00 0.00 C ATOM 671 OD1 ASP A 43 -10.472 -1.993 2.778 1.00 0.00 O ATOM 672 OD2 ASP A 43 -11.145 -1.134 0.957 1.00 0.00 O ATOM 0 H ASP A 43 -9.070 0.096 3.874 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.656 1.266 4.659 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.811 -0.286 3.137 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.796 0.887 2.321 1.00 0.00 H new ATOM 677 N GLY A 44 -10.216 -1.230 5.869 1.00 0.00 N ATOM 678 CA GLY A 44 -10.271 -2.225 6.909 1.00 0.00 C ATOM 679 C GLY A 44 -10.111 -3.632 6.395 1.00 0.00 C ATOM 680 O GLY A 44 -10.065 -4.593 7.183 1.00 0.00 O ATOM 0 H GLY A 44 -9.273 -0.967 5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.488 -2.021 7.640 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.224 -2.142 7.432 1.00 0.00 H new ATOM 684 N ALA A 45 -10.035 -3.774 5.101 1.00 0.00 N ATOM 685 CA ALA A 45 -9.891 -5.066 4.492 1.00 0.00 C ATOM 686 C ALA A 45 -8.796 -5.030 3.453 1.00 0.00 C ATOM 687 O ALA A 45 -8.568 -4.007 2.821 1.00 0.00 O ATOM 688 CB ALA A 45 -11.206 -5.495 3.867 1.00 0.00 C ATOM 0 H ALA A 45 -10.071 -2.998 4.440 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.617 -5.792 5.257 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.087 -6.476 3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.976 -5.546 4.637 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.501 -4.772 3.107 1.00 0.00 H new ATOM 694 N VAL A 46 -8.121 -6.118 3.281 1.00 0.00 N ATOM 695 CA VAL A 46 -7.086 -6.227 2.323 1.00 0.00 C ATOM 696 C VAL A 46 -7.712 -6.731 1.024 1.00 0.00 C ATOM 697 O VAL A 46 -8.070 -7.915 0.894 1.00 0.00 O ATOM 698 CB VAL A 46 -6.008 -7.198 2.817 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.885 -7.245 1.844 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.496 -6.796 4.198 1.00 0.00 C ATOM 0 H VAL A 46 -8.282 -6.971 3.817 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.608 -5.261 2.160 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.452 -8.190 2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.123 -7.937 2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.256 -7.582 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.452 -6.250 1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.732 -7.503 4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.067 -5.795 4.150 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.322 -6.803 4.909 1.00 0.00 H new ATOM 710 N ASN A 47 -7.891 -5.836 0.104 1.00 0.00 N ATOM 711 CA ASN A 47 -8.605 -6.109 -1.099 1.00 0.00 C ATOM 712 C ASN A 47 -7.895 -5.573 -2.306 1.00 0.00 C ATOM 713 O ASN A 47 -6.849 -4.934 -2.191 1.00 0.00 O ATOM 714 CB ASN A 47 -10.067 -5.594 -0.988 1.00 0.00 C ATOM 715 CG ASN A 47 -10.243 -4.242 -0.281 1.00 0.00 C ATOM 716 OD1 ASN A 47 -9.428 -3.307 -0.396 1.00 0.00 O ATOM 717 ND2 ASN A 47 -11.261 -4.159 0.515 1.00 0.00 N ATOM 0 H ASN A 47 -7.539 -4.881 0.171 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.646 -7.190 -1.235 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.483 -5.515 -1.993 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.657 -6.341 -0.457 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.410 -3.314 1.066 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.914 -4.939 0.591 1.00 0.00 H new ATOM 724 N GLY A 48 -8.470 -5.830 -3.472 1.00 0.00 N ATOM 725 CA GLY A 48 -7.892 -5.397 -4.735 1.00 0.00 C ATOM 726 C GLY A 48 -7.821 -3.902 -4.872 1.00 0.00 C ATOM 727 O GLY A 48 -7.060 -3.393 -5.681 1.00 0.00 O ATOM 0 H GLY A 48 -9.347 -6.342 -3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.889 -5.812 -4.829 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.483 -5.803 -5.556 1.00 0.00 H new ATOM 731 N ARG A 49 -8.606 -3.195 -4.064 1.00 0.00 N ATOM 732 CA ARG A 49 -8.570 -1.746 -4.046 1.00 0.00 C ATOM 733 C ARG A 49 -7.206 -1.277 -3.584 1.00 0.00 C ATOM 734 O ARG A 49 -6.657 -0.341 -4.132 1.00 0.00 O ATOM 735 CB ARG A 49 -9.631 -1.151 -3.122 1.00 0.00 C ATOM 736 CG ARG A 49 -11.031 -1.623 -3.378 1.00 0.00 C ATOM 737 CD ARG A 49 -12.047 -0.567 -2.969 1.00 0.00 C ATOM 738 NE ARG A 49 -13.428 -1.023 -3.152 1.00 0.00 N ATOM 739 CZ ARG A 49 -14.488 -0.246 -3.433 1.00 0.00 C ATOM 740 NH1 ARG A 49 -14.339 1.051 -3.703 1.00 0.00 N ATOM 741 NH2 ARG A 49 -15.696 -0.781 -3.460 1.00 0.00 N ATOM 0 H ARG A 49 -9.274 -3.608 -3.414 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.775 -1.406 -5.061 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.367 -1.387 -2.091 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.607 -0.065 -3.217 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.151 -1.858 -4.436 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.215 -2.543 -2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.890 -0.301 -1.924 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.884 0.337 -3.556 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.601 -2.024 -3.057 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.409 1.469 -3.699 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.155 1.625 -3.914 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.818 -1.775 -3.269 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.507 -0.199 -3.672 1.00 0.00 H new ATOM 755 N ASP A 50 -6.641 -2.000 -2.608 1.00 0.00 N ATOM 756 CA ASP A 50 -5.341 -1.676 -2.025 1.00 0.00 C ATOM 757 C ASP A 50 -4.270 -1.989 -3.005 1.00 0.00 C ATOM 758 O ASP A 50 -3.292 -1.280 -3.110 1.00 0.00 O ATOM 759 CB ASP A 50 -5.083 -2.492 -0.778 1.00 0.00 C ATOM 760 CG ASP A 50 -6.138 -2.347 0.240 1.00 0.00 C ATOM 761 OD1 ASP A 50 -6.864 -3.301 0.524 1.00 0.00 O ATOM 762 OD2 ASP A 50 -6.353 -1.256 0.762 1.00 0.00 O ATOM 0 H ASP A 50 -7.078 -2.828 -2.202 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.343 -0.616 -1.769 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.994 -3.543 -1.052 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.128 -2.192 -0.347 1.00 0.00 H new ATOM 767 N LEU A 51 -4.487 -3.053 -3.736 1.00 0.00 N ATOM 768 CA LEU A 51 -3.593 -3.490 -4.784 1.00 0.00 C ATOM 769 C LEU A 51 -3.502 -2.406 -5.851 1.00 0.00 C ATOM 770 O LEU A 51 -2.415 -2.020 -6.253 1.00 0.00 O ATOM 771 CB LEU A 51 -4.102 -4.815 -5.368 1.00 0.00 C ATOM 772 CG LEU A 51 -3.373 -5.391 -6.594 1.00 0.00 C ATOM 773 CD1 LEU A 51 -1.894 -5.598 -6.322 1.00 0.00 C ATOM 774 CD2 LEU A 51 -4.002 -6.706 -6.974 1.00 0.00 C ATOM 0 H LEU A 51 -5.304 -3.652 -3.619 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.593 -3.659 -4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.068 -5.564 -4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.150 -4.681 -5.635 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.466 -4.675 -7.410 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.414 -6.006 -7.212 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.434 -4.643 -6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.771 -6.294 -5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.488 -7.118 -7.843 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.920 -7.403 -6.140 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.054 -6.550 -7.215 1.00 0.00 H new ATOM 786 N MET A 52 -4.651 -1.877 -6.242 1.00 0.00 N ATOM 787 CA MET A 52 -4.720 -0.787 -7.217 1.00 0.00 C ATOM 788 C MET A 52 -4.074 0.484 -6.670 1.00 0.00 C ATOM 789 O MET A 52 -3.470 1.265 -7.422 1.00 0.00 O ATOM 790 CB MET A 52 -6.158 -0.527 -7.648 1.00 0.00 C ATOM 791 CG MET A 52 -6.764 -1.667 -8.437 1.00 0.00 C ATOM 792 SD MET A 52 -8.461 -1.353 -8.949 1.00 0.00 S ATOM 793 CE MET A 52 -8.782 -2.847 -9.888 1.00 0.00 C ATOM 0 H MET A 52 -5.560 -2.185 -5.898 1.00 0.00 H new ATOM 0 HA MET A 52 -4.157 -1.094 -8.098 1.00 0.00 H new ATOM 0 HB2 MET A 52 -6.767 -0.343 -6.763 1.00 0.00 H new ATOM 0 HB3 MET A 52 -6.190 0.380 -8.251 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.154 -1.853 -9.321 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.736 -2.574 -7.833 1.00 0.00 H new ATOM 0 HE1 MET A 52 -9.798 -2.818 -10.281 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.075 -2.916 -10.715 1.00 0.00 H new ATOM 0 HE3 MET A 52 -8.668 -3.716 -9.240 1.00 0.00 H new ATOM 803 N GLU A 53 -4.189 0.686 -5.362 1.00 0.00 N ATOM 804 CA GLU A 53 -3.519 1.789 -4.697 1.00 0.00 C ATOM 805 C GLU A 53 -2.033 1.612 -4.801 1.00 0.00 C ATOM 806 O GLU A 53 -1.339 2.513 -5.226 1.00 0.00 O ATOM 807 CB GLU A 53 -3.900 1.908 -3.219 1.00 0.00 C ATOM 808 CG GLU A 53 -5.357 2.183 -2.949 1.00 0.00 C ATOM 809 CD GLU A 53 -5.872 3.333 -3.739 1.00 0.00 C ATOM 810 OE1 GLU A 53 -5.682 4.480 -3.346 1.00 0.00 O ATOM 811 OE2 GLU A 53 -6.473 3.112 -4.797 1.00 0.00 O ATOM 0 H GLU A 53 -4.743 0.095 -4.742 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.839 2.703 -5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.622 0.983 -2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.308 2.706 -2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.942 1.293 -3.184 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.495 2.384 -1.887 1.00 0.00 H new ATOM 818 N LEU A 54 -1.578 0.420 -4.460 1.00 0.00 N ATOM 819 CA LEU A 54 -0.178 0.052 -4.462 1.00 0.00 C ATOM 820 C LEU A 54 0.444 0.236 -5.835 1.00 0.00 C ATOM 821 O LEU A 54 1.506 0.831 -5.956 1.00 0.00 O ATOM 822 CB LEU A 54 -0.023 -1.381 -4.007 1.00 0.00 C ATOM 823 CG LEU A 54 1.401 -1.872 -3.774 1.00 0.00 C ATOM 824 CD1 LEU A 54 2.125 -0.981 -2.781 1.00 0.00 C ATOM 825 CD2 LEU A 54 1.367 -3.280 -3.265 1.00 0.00 C ATOM 0 H LEU A 54 -2.192 -0.339 -4.166 1.00 0.00 H new ATOM 0 HA LEU A 54 0.346 0.711 -3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.583 -1.507 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.489 -2.027 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 54 1.941 -1.837 -4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.139 -1.352 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.164 0.037 -3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.592 -0.988 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.385 -3.631 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.813 -3.314 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.878 -3.920 -3.999 1.00 0.00 H new ATOM 837 N ILE A 55 -0.236 -0.267 -6.859 1.00 0.00 N ATOM 838 CA ILE A 55 0.193 -0.104 -8.263 1.00 0.00 C ATOM 839 C ILE A 55 0.386 1.377 -8.560 1.00 0.00 C ATOM 840 O ILE A 55 1.401 1.768 -9.084 1.00 0.00 O ATOM 841 CB ILE A 55 -0.854 -0.707 -9.256 1.00 0.00 C ATOM 842 CG1 ILE A 55 -1.053 -2.210 -8.979 1.00 0.00 C ATOM 843 CG2 ILE A 55 -0.420 -0.481 -10.714 1.00 0.00 C ATOM 844 CD1 ILE A 55 -2.168 -2.866 -9.780 1.00 0.00 C ATOM 0 H ILE A 55 -1.099 -0.800 -6.751 1.00 0.00 H new ATOM 0 HA ILE A 55 1.132 -0.641 -8.399 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.804 -0.196 -9.102 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.119 -2.730 -9.190 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.260 -2.345 -7.917 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.164 -0.909 -11.386 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.331 0.588 -10.905 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.543 -0.962 -10.886 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.232 -3.922 -9.517 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.115 -2.377 -9.552 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.956 -2.769 -10.845 1.00 0.00 H new ATOM 856 N LYS A 56 -0.576 2.180 -8.158 1.00 0.00 N ATOM 857 CA LYS A 56 -0.532 3.633 -8.306 1.00 0.00 C ATOM 858 C LYS A 56 0.680 4.274 -7.576 1.00 0.00 C ATOM 859 O LYS A 56 1.338 5.170 -8.124 1.00 0.00 O ATOM 860 CB LYS A 56 -1.874 4.210 -7.832 1.00 0.00 C ATOM 861 CG LYS A 56 -1.886 5.684 -7.451 1.00 0.00 C ATOM 862 CD LYS A 56 -3.310 6.249 -7.236 1.00 0.00 C ATOM 863 CE LYS A 56 -4.144 5.519 -6.158 1.00 0.00 C ATOM 864 NZ LYS A 56 -4.778 4.254 -6.642 1.00 0.00 N ATOM 0 H LYS A 56 -1.428 1.843 -7.711 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.384 3.879 -9.357 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.609 4.056 -8.622 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.208 3.633 -6.970 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.307 5.821 -6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.389 6.258 -8.233 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.230 7.301 -6.962 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.849 6.206 -8.182 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.502 5.291 -5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.923 6.191 -5.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.513 3.954 -5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.208 4.416 -7.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.055 3.510 -6.719 1.00 0.00 H new ATOM 878 N LYS A 57 0.978 3.791 -6.379 1.00 0.00 N ATOM 879 CA LYS A 57 2.092 4.308 -5.578 1.00 0.00 C ATOM 880 C LYS A 57 3.421 3.963 -6.258 1.00 0.00 C ATOM 881 O LYS A 57 4.251 4.830 -6.531 1.00 0.00 O ATOM 882 CB LYS A 57 2.109 3.658 -4.174 1.00 0.00 C ATOM 883 CG LYS A 57 0.787 3.629 -3.408 1.00 0.00 C ATOM 884 CD LYS A 57 0.210 5.003 -3.095 1.00 0.00 C ATOM 885 CE LYS A 57 1.095 5.755 -2.107 1.00 0.00 C ATOM 886 NZ LYS A 57 0.474 7.014 -1.651 1.00 0.00 N ATOM 0 H LYS A 57 0.461 3.034 -5.932 1.00 0.00 H new ATOM 0 HA LYS A 57 1.964 5.387 -5.489 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.462 2.632 -4.280 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.842 4.186 -3.565 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.057 3.066 -3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.935 3.089 -2.473 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.115 5.580 -4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.793 4.895 -2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.298 5.119 -1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.055 5.974 -2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.110 7.492 -0.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.304 7.633 -2.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.430 6.805 -1.181 1.00 0.00 H new ATOM 900 N VAL A 58 3.569 2.697 -6.549 1.00 0.00 N ATOM 901 CA VAL A 58 4.773 2.109 -7.101 1.00 0.00 C ATOM 902 C VAL A 58 5.058 2.532 -8.543 1.00 0.00 C ATOM 903 O VAL A 58 6.224 2.740 -8.917 1.00 0.00 O ATOM 904 CB VAL A 58 4.667 0.581 -6.951 1.00 0.00 C ATOM 905 CG1 VAL A 58 5.784 -0.176 -7.662 1.00 0.00 C ATOM 906 CG2 VAL A 58 4.659 0.258 -5.467 1.00 0.00 C ATOM 0 H VAL A 58 2.825 2.014 -6.404 1.00 0.00 H new ATOM 0 HA VAL A 58 5.631 2.483 -6.542 1.00 0.00 H new ATOM 0 HB VAL A 58 3.745 0.252 -7.430 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.648 -1.247 -7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.756 0.051 -8.728 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.747 0.127 -7.252 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.584 -0.821 -5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.581 0.619 -5.011 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.806 0.744 -4.994 1.00 0.00 H new