USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 429 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 GLN : amide:sc= -0.314 K(o=0.79,f=-12!) USER MOD Set 1.2: A 28 LYS NZ :NH3+ 166:sc= 1.11 (180deg=0) USER MOD Set 2.1: A 8 ASN : amide:sc= 0.882 K(o=1.8,f=-2.8!) USER MOD Set 2.2: A 14 ASN : amide:sc= 0.958 K(o=1.8,f=-1.5!) USER MOD Single : A 20 MET CE :methyl -166:sc= -0.307 (180deg=-0.543) USER MOD Single : A 21 MET CE :methyl -128:sc= -1.82 (180deg=-2.56!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 41:sc= 0.0898 USER MOD Single : A 35 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0695) USER MOD Single : A 36 ASN : amide:sc= 0.478 K(o=0.48,f=-0.082) USER MOD Single : A 41 ASN : amide:sc= 0.229 K(o=0.23,f=-2!) USER MOD Single : A 47 ASN : amide:sc= -0.444 K(o=-0.44,f=-1.6) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -174:sc= 0.982 (180deg=0.561) USER MOD Single : A 57 LYS NZ :NH3+ 140:sc= -0.195 (180deg=-1.27!) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 3 3.157 2.380 7.901 1.00 0.00 N ATOM 71 CA ILE A 3 3.302 3.067 6.652 1.00 0.00 C ATOM 72 C ILE A 3 2.541 2.315 5.541 1.00 0.00 C ATOM 73 O ILE A 3 2.975 1.262 5.055 1.00 0.00 O ATOM 74 CB ILE A 3 4.822 3.279 6.313 1.00 0.00 C ATOM 75 CG1 ILE A 3 5.037 3.917 4.925 1.00 0.00 C ATOM 76 CG2 ILE A 3 5.631 1.989 6.482 1.00 0.00 C ATOM 77 CD1 ILE A 3 6.500 4.193 4.600 1.00 0.00 C ATOM 0 HA ILE A 3 2.858 4.059 6.729 1.00 0.00 H new ATOM 0 HB ILE A 3 5.203 3.995 7.042 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.623 3.257 4.163 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.480 4.852 4.874 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.676 2.180 6.238 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.557 1.645 7.514 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.237 1.222 5.815 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.574 4.641 3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.914 4.878 5.340 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.059 3.258 4.618 1.00 0.00 H new ATOM 89 N LEU A 4 1.373 2.834 5.201 1.00 0.00 N ATOM 90 CA LEU A 4 0.525 2.249 4.186 1.00 0.00 C ATOM 91 C LEU A 4 1.198 2.315 2.832 1.00 0.00 C ATOM 92 O LEU A 4 1.593 3.393 2.375 1.00 0.00 O ATOM 93 CB LEU A 4 -0.828 2.963 4.141 1.00 0.00 C ATOM 94 CG LEU A 4 -1.624 3.001 5.452 1.00 0.00 C ATOM 95 CD1 LEU A 4 -2.992 3.634 5.242 1.00 0.00 C ATOM 96 CD2 LEU A 4 -1.748 1.610 6.045 1.00 0.00 C ATOM 0 H LEU A 4 0.988 3.678 5.626 1.00 0.00 H new ATOM 0 HA LEU A 4 0.357 1.202 4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.662 3.989 3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.444 2.481 3.382 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.079 3.622 6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.535 3.648 6.187 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.869 4.654 4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.553 3.053 4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.316 1.660 6.974 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.263 0.958 5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.754 1.211 6.248 1.00 0.00 H new ATOM 108 N GLY A 5 1.339 1.177 2.208 1.00 0.00 N ATOM 109 CA GLY A 5 2.009 1.115 0.945 1.00 0.00 C ATOM 110 C GLY A 5 3.375 0.468 1.066 1.00 0.00 C ATOM 111 O GLY A 5 3.955 0.069 0.075 1.00 0.00 O ATOM 0 H GLY A 5 0.997 0.281 2.557 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.401 0.551 0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.118 2.121 0.541 1.00 0.00 H new ATOM 115 N ASP A 6 3.890 0.363 2.281 1.00 0.00 N ATOM 116 CA ASP A 6 5.167 -0.267 2.491 1.00 0.00 C ATOM 117 C ASP A 6 5.010 -1.501 3.372 1.00 0.00 C ATOM 118 O ASP A 6 5.094 -1.459 4.599 1.00 0.00 O ATOM 119 CB ASP A 6 6.194 0.726 3.009 1.00 0.00 C ATOM 120 CG ASP A 6 7.525 0.107 3.258 1.00 0.00 C ATOM 121 OD1 ASP A 6 8.043 -0.581 2.368 1.00 0.00 O ATOM 122 OD2 ASP A 6 8.108 0.340 4.307 1.00 0.00 O ATOM 0 H ASP A 6 3.439 0.707 3.129 1.00 0.00 H new ATOM 0 HA ASP A 6 5.556 -0.616 1.534 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.305 1.536 2.288 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.827 1.171 3.934 1.00 0.00 H new ATOM 127 N LEU A 7 4.725 -2.579 2.693 1.00 0.00 N ATOM 128 CA LEU A 7 4.358 -3.864 3.249 1.00 0.00 C ATOM 129 C LEU A 7 5.553 -4.658 3.755 1.00 0.00 C ATOM 130 O LEU A 7 5.442 -5.415 4.712 1.00 0.00 O ATOM 131 CB LEU A 7 3.621 -4.687 2.178 1.00 0.00 C ATOM 132 CG LEU A 7 2.180 -4.271 1.772 1.00 0.00 C ATOM 133 CD1 LEU A 7 2.086 -2.877 1.178 1.00 0.00 C ATOM 134 CD2 LEU A 7 1.642 -5.254 0.788 1.00 0.00 C ATOM 0 H LEU A 7 4.742 -2.589 1.673 1.00 0.00 H new ATOM 0 HA LEU A 7 3.715 -3.670 4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.233 -4.678 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.581 -5.719 2.525 1.00 0.00 H new ATOM 0 HG LEU A 7 1.593 -4.261 2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.049 -2.660 0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.439 -2.147 1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.702 -2.822 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.631 -4.965 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.280 -5.270 -0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.622 -6.246 1.239 1.00 0.00 H new ATOM 146 N ASN A 8 6.674 -4.514 3.085 1.00 0.00 N ATOM 147 CA ASN A 8 7.908 -5.256 3.432 1.00 0.00 C ATOM 148 C ASN A 8 8.840 -4.424 4.307 1.00 0.00 C ATOM 149 O ASN A 8 9.988 -4.808 4.553 1.00 0.00 O ATOM 150 CB ASN A 8 8.641 -5.706 2.166 1.00 0.00 C ATOM 151 CG ASN A 8 9.181 -4.566 1.314 1.00 0.00 C ATOM 152 OD1 ASN A 8 8.639 -3.457 1.267 1.00 0.00 O ATOM 153 ND2 ASN A 8 10.218 -4.833 0.625 1.00 0.00 N ATOM 0 H ASN A 8 6.776 -3.888 2.286 1.00 0.00 H new ATOM 0 HA ASN A 8 7.608 -6.135 4.002 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.470 -6.354 2.451 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.961 -6.305 1.561 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.622 -4.122 0.015 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.645 -5.757 0.683 1.00 0.00 H new ATOM 160 N ASP A 9 8.310 -3.309 4.758 1.00 0.00 N ATOM 161 CA ASP A 9 8.972 -2.314 5.622 1.00 0.00 C ATOM 162 C ASP A 9 10.379 -1.927 5.144 1.00 0.00 C ATOM 163 O ASP A 9 11.397 -2.129 5.819 1.00 0.00 O ATOM 164 CB ASP A 9 8.896 -2.610 7.169 1.00 0.00 C ATOM 165 CG ASP A 9 9.798 -3.726 7.708 1.00 0.00 C ATOM 166 OD1 ASP A 9 9.487 -4.906 7.535 1.00 0.00 O ATOM 167 OD2 ASP A 9 10.808 -3.423 8.398 1.00 0.00 O ATOM 0 H ASP A 9 7.353 -3.043 4.528 1.00 0.00 H new ATOM 0 HA ASP A 9 8.359 -1.421 5.499 1.00 0.00 H new ATOM 0 HB2 ASP A 9 9.139 -1.691 7.702 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.864 -2.859 7.416 1.00 0.00 H new ATOM 172 N ASP A 10 10.438 -1.392 3.959 1.00 0.00 N ATOM 173 CA ASP A 10 11.700 -0.967 3.413 1.00 0.00 C ATOM 174 C ASP A 10 11.717 0.524 3.160 1.00 0.00 C ATOM 175 O ASP A 10 12.672 1.066 2.602 1.00 0.00 O ATOM 176 CB ASP A 10 12.177 -1.802 2.201 1.00 0.00 C ATOM 177 CG ASP A 10 11.352 -1.715 0.939 1.00 0.00 C ATOM 178 OD1 ASP A 10 10.404 -0.919 0.847 1.00 0.00 O ATOM 179 OD2 ASP A 10 11.639 -2.495 -0.002 1.00 0.00 O ATOM 0 H ASP A 10 9.633 -1.239 3.352 1.00 0.00 H new ATOM 0 HA ASP A 10 12.448 -1.169 4.180 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.196 -1.498 1.961 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.220 -2.848 2.506 1.00 0.00 H new ATOM 184 N GLY A 11 10.659 1.184 3.590 1.00 0.00 N ATOM 185 CA GLY A 11 10.614 2.626 3.614 1.00 0.00 C ATOM 186 C GLY A 11 10.149 3.276 2.353 1.00 0.00 C ATOM 187 O GLY A 11 10.171 4.504 2.256 1.00 0.00 O ATOM 0 H GLY A 11 9.810 0.733 3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.958 2.938 4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.611 2.999 3.848 1.00 0.00 H new ATOM 191 N VAL A 12 9.710 2.500 1.400 1.00 0.00 N ATOM 192 CA VAL A 12 9.326 3.052 0.120 1.00 0.00 C ATOM 193 C VAL A 12 8.336 2.126 -0.596 1.00 0.00 C ATOM 194 O VAL A 12 8.330 0.916 -0.351 1.00 0.00 O ATOM 195 CB VAL A 12 10.616 3.289 -0.738 1.00 0.00 C ATOM 196 CG1 VAL A 12 11.398 1.991 -0.946 1.00 0.00 C ATOM 197 CG2 VAL A 12 10.324 3.992 -2.055 1.00 0.00 C ATOM 0 H VAL A 12 9.608 1.488 1.480 1.00 0.00 H new ATOM 0 HA VAL A 12 8.820 4.006 0.268 1.00 0.00 H new ATOM 0 HB VAL A 12 11.250 3.966 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.286 2.193 -1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.697 1.587 0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.769 1.266 -1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.253 4.130 -2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.637 3.387 -2.646 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.872 4.964 -1.856 1.00 0.00 H new ATOM 207 N VAL A 13 7.461 2.694 -1.411 1.00 0.00 N ATOM 208 CA VAL A 13 6.559 1.924 -2.224 1.00 0.00 C ATOM 209 C VAL A 13 7.300 1.380 -3.479 1.00 0.00 C ATOM 210 O VAL A 13 7.568 2.102 -4.451 1.00 0.00 O ATOM 211 CB VAL A 13 5.280 2.743 -2.609 1.00 0.00 C ATOM 212 CG1 VAL A 13 4.416 2.985 -1.384 1.00 0.00 C ATOM 213 CG2 VAL A 13 5.635 4.087 -3.245 1.00 0.00 C ATOM 0 H VAL A 13 7.363 3.703 -1.521 1.00 0.00 H new ATOM 0 HA VAL A 13 6.214 1.072 -1.638 1.00 0.00 H new ATOM 0 HB VAL A 13 4.729 2.151 -3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.532 3.555 -1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.110 2.029 -0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.985 3.545 -0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.720 4.623 -3.497 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.221 4.679 -2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.218 3.918 -4.151 1.00 0.00 H new ATOM 223 N ASN A 14 7.697 0.140 -3.406 1.00 0.00 N ATOM 224 CA ASN A 14 8.454 -0.498 -4.458 1.00 0.00 C ATOM 225 C ASN A 14 7.792 -1.782 -4.922 1.00 0.00 C ATOM 226 O ASN A 14 6.787 -2.206 -4.347 1.00 0.00 O ATOM 227 CB ASN A 14 9.924 -0.708 -4.043 1.00 0.00 C ATOM 228 CG ASN A 14 10.148 -1.538 -2.793 1.00 0.00 C ATOM 229 OD1 ASN A 14 9.295 -1.671 -1.904 1.00 0.00 O ATOM 230 ND2 ASN A 14 11.302 -2.049 -2.675 1.00 0.00 N ATOM 0 H ASN A 14 7.504 -0.466 -2.608 1.00 0.00 H new ATOM 0 HA ASN A 14 8.463 0.173 -5.317 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.450 -1.184 -4.871 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.382 0.270 -3.893 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.541 -2.580 -1.838 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.991 -1.929 -3.417 1.00 0.00 H new ATOM 237 N GLY A 15 8.385 -2.430 -5.929 1.00 0.00 N ATOM 238 CA GLY A 15 7.814 -3.650 -6.526 1.00 0.00 C ATOM 239 C GLY A 15 7.714 -4.801 -5.550 1.00 0.00 C ATOM 240 O GLY A 15 6.888 -5.698 -5.706 1.00 0.00 O ATOM 0 H GLY A 15 9.264 -2.132 -6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.821 -3.425 -6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.428 -3.953 -7.374 1.00 0.00 H new ATOM 244 N ARG A 16 8.541 -4.750 -4.531 1.00 0.00 N ATOM 245 CA ARG A 16 8.565 -5.735 -3.470 1.00 0.00 C ATOM 246 C ARG A 16 7.259 -5.754 -2.698 1.00 0.00 C ATOM 247 O ARG A 16 6.827 -6.803 -2.229 1.00 0.00 O ATOM 248 CB ARG A 16 9.701 -5.441 -2.522 1.00 0.00 C ATOM 249 CG ARG A 16 11.078 -5.618 -3.110 1.00 0.00 C ATOM 250 CD ARG A 16 11.321 -7.073 -3.477 1.00 0.00 C ATOM 251 NE ARG A 16 12.701 -7.323 -3.880 1.00 0.00 N ATOM 252 CZ ARG A 16 13.302 -8.518 -3.814 1.00 0.00 C ATOM 253 NH1 ARG A 16 12.626 -9.593 -3.409 1.00 0.00 N ATOM 254 NH2 ARG A 16 14.575 -8.635 -4.153 1.00 0.00 N ATOM 0 H ARG A 16 9.231 -4.008 -4.413 1.00 0.00 H new ATOM 0 HA ARG A 16 8.706 -6.714 -3.929 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.602 -4.415 -2.166 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.607 -6.091 -1.652 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.184 -4.991 -3.996 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.830 -5.288 -2.394 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.074 -7.706 -2.625 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.651 -7.357 -4.289 1.00 0.00 H new ATOM 0 HE ARG A 16 13.244 -6.536 -4.235 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.644 -9.509 -3.147 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.091 -10.500 -3.361 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.097 -7.816 -4.464 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.034 -9.544 -4.103 1.00 0.00 H new ATOM 268 N ASP A 17 6.618 -4.594 -2.595 1.00 0.00 N ATOM 269 CA ASP A 17 5.358 -4.475 -1.889 1.00 0.00 C ATOM 270 C ASP A 17 4.288 -5.200 -2.645 1.00 0.00 C ATOM 271 O ASP A 17 3.454 -5.856 -2.051 1.00 0.00 O ATOM 272 CB ASP A 17 4.959 -3.023 -1.695 1.00 0.00 C ATOM 273 CG ASP A 17 5.938 -2.261 -0.864 1.00 0.00 C ATOM 274 OD1 ASP A 17 6.619 -1.376 -1.373 1.00 0.00 O ATOM 275 OD2 ASP A 17 6.147 -2.571 0.315 1.00 0.00 O ATOM 0 H ASP A 17 6.958 -3.720 -2.997 1.00 0.00 H new ATOM 0 HA ASP A 17 5.481 -4.920 -0.902 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.865 -2.543 -2.669 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.978 -2.980 -1.223 1.00 0.00 H new ATOM 280 N ILE A 18 4.347 -5.084 -3.974 1.00 0.00 N ATOM 281 CA ILE A 18 3.451 -5.786 -4.909 1.00 0.00 C ATOM 282 C ILE A 18 3.460 -7.284 -4.625 1.00 0.00 C ATOM 283 O ILE A 18 2.405 -7.920 -4.578 1.00 0.00 O ATOM 284 CB ILE A 18 3.868 -5.528 -6.418 1.00 0.00 C ATOM 285 CG1 ILE A 18 3.490 -4.128 -6.906 1.00 0.00 C ATOM 286 CG2 ILE A 18 3.276 -6.561 -7.371 1.00 0.00 C ATOM 287 CD1 ILE A 18 4.078 -2.982 -6.162 1.00 0.00 C ATOM 0 H ILE A 18 5.030 -4.490 -4.443 1.00 0.00 H new ATOM 0 HA ILE A 18 2.446 -5.392 -4.760 1.00 0.00 H new ATOM 0 HB ILE A 18 4.954 -5.619 -6.427 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.783 -4.041 -7.952 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.404 -4.036 -6.870 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.592 -6.339 -8.390 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.624 -7.555 -7.092 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.188 -6.528 -7.313 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.735 -2.047 -6.604 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.766 -3.027 -5.119 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.165 -3.032 -6.217 1.00 0.00 H new ATOM 299 N VAL A 19 4.650 -7.812 -4.405 1.00 0.00 N ATOM 300 CA VAL A 19 4.843 -9.224 -4.100 1.00 0.00 C ATOM 301 C VAL A 19 4.080 -9.573 -2.833 1.00 0.00 C ATOM 302 O VAL A 19 3.194 -10.414 -2.858 1.00 0.00 O ATOM 303 CB VAL A 19 6.338 -9.571 -3.874 1.00 0.00 C ATOM 304 CG1 VAL A 19 6.548 -11.080 -3.763 1.00 0.00 C ATOM 305 CG2 VAL A 19 7.206 -8.977 -4.962 1.00 0.00 C ATOM 0 H VAL A 19 5.516 -7.274 -4.432 1.00 0.00 H new ATOM 0 HA VAL A 19 4.478 -9.795 -4.954 1.00 0.00 H new ATOM 0 HB VAL A 19 6.640 -9.126 -2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.606 -11.289 -3.605 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.972 -11.467 -2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.216 -11.562 -4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.249 -9.236 -4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.899 -9.374 -5.930 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.097 -7.893 -4.963 1.00 0.00 H new ATOM 315 N MET A 20 4.385 -8.832 -1.758 1.00 0.00 N ATOM 316 CA MET A 20 3.802 -9.051 -0.410 1.00 0.00 C ATOM 317 C MET A 20 2.272 -8.950 -0.462 1.00 0.00 C ATOM 318 O MET A 20 1.556 -9.744 0.164 1.00 0.00 O ATOM 319 CB MET A 20 4.322 -7.987 0.562 1.00 0.00 C ATOM 320 CG MET A 20 5.831 -7.774 0.538 1.00 0.00 C ATOM 321 SD MET A 20 6.803 -9.147 1.179 1.00 0.00 S ATOM 322 CE MET A 20 6.471 -9.016 2.934 1.00 0.00 C ATOM 0 H MET A 20 5.047 -8.057 -1.791 1.00 0.00 H new ATOM 0 HA MET A 20 4.093 -10.046 -0.073 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.833 -7.040 0.335 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.026 -8.265 1.573 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.139 -7.579 -0.489 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.066 -6.881 1.117 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.185 -9.628 3.486 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.567 -7.976 3.246 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.459 -9.364 3.140 1.00 0.00 H new ATOM 332 N MET A 21 1.807 -7.959 -1.221 1.00 0.00 N ATOM 333 CA MET A 21 0.386 -7.670 -1.466 1.00 0.00 C ATOM 334 C MET A 21 -0.288 -8.908 -2.009 1.00 0.00 C ATOM 335 O MET A 21 -1.218 -9.448 -1.404 1.00 0.00 O ATOM 336 CB MET A 21 0.311 -6.571 -2.538 1.00 0.00 C ATOM 337 CG MET A 21 -1.068 -6.000 -2.902 1.00 0.00 C ATOM 338 SD MET A 21 -1.665 -4.639 -1.859 1.00 0.00 S ATOM 339 CE MET A 21 -2.043 -5.414 -0.309 1.00 0.00 C ATOM 0 H MET A 21 2.428 -7.309 -1.702 1.00 0.00 H new ATOM 0 HA MET A 21 -0.103 -7.358 -0.543 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.937 -5.742 -2.208 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.759 -6.966 -3.450 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.035 -5.653 -3.935 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.797 -6.809 -2.861 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.058 -5.152 -0.009 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.964 -6.496 -0.414 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.340 -5.071 0.450 1.00 0.00 H new ATOM 349 N ARG A 22 0.260 -9.378 -3.121 1.00 0.00 N ATOM 350 CA ARG A 22 -0.230 -10.522 -3.859 1.00 0.00 C ATOM 351 C ARG A 22 -0.245 -11.786 -3.033 1.00 0.00 C ATOM 352 O ARG A 22 -1.150 -12.603 -3.191 1.00 0.00 O ATOM 353 CB ARG A 22 0.619 -10.735 -5.094 1.00 0.00 C ATOM 354 CG ARG A 22 0.369 -9.764 -6.223 1.00 0.00 C ATOM 355 CD ARG A 22 1.380 -9.992 -7.332 1.00 0.00 C ATOM 356 NE ARG A 22 1.085 -9.211 -8.533 1.00 0.00 N ATOM 357 CZ ARG A 22 1.871 -9.124 -9.616 1.00 0.00 C ATOM 358 NH1 ARG A 22 3.045 -9.748 -9.651 1.00 0.00 N ATOM 359 NH2 ARG A 22 1.474 -8.398 -10.655 1.00 0.00 N ATOM 0 H ARG A 22 1.086 -8.955 -3.544 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.261 -10.305 -4.139 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.669 -10.672 -4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.449 -11.747 -5.462 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.642 -9.893 -6.608 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.442 -8.740 -5.857 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.375 -9.733 -6.970 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.400 -11.051 -7.588 1.00 0.00 H new ATOM 0 HE ARG A 22 0.209 -8.689 -8.548 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.354 -10.298 -8.850 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.636 -9.676 -10.479 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.578 -7.912 -10.625 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.066 -8.326 -11.483 1.00 0.00 H new ATOM 373 N GLN A 23 0.747 -11.937 -2.153 1.00 0.00 N ATOM 374 CA GLN A 23 0.861 -13.108 -1.306 1.00 0.00 C ATOM 375 C GLN A 23 -0.358 -13.238 -0.417 1.00 0.00 C ATOM 376 O GLN A 23 -1.082 -14.232 -0.478 1.00 0.00 O ATOM 377 CB GLN A 23 2.074 -13.015 -0.394 1.00 0.00 C ATOM 378 CG GLN A 23 3.422 -12.771 -1.040 1.00 0.00 C ATOM 379 CD GLN A 23 3.900 -13.867 -1.962 1.00 0.00 C ATOM 380 OE1 GLN A 23 3.136 -14.540 -2.628 1.00 0.00 O ATOM 381 NE2 GLN A 23 5.165 -14.080 -1.974 1.00 0.00 N ATOM 0 H GLN A 23 1.487 -11.249 -2.014 1.00 0.00 H new ATOM 0 HA GLN A 23 0.955 -13.969 -1.968 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.895 -12.213 0.322 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.138 -13.942 0.175 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.374 -11.839 -1.604 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.164 -12.630 -0.254 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.785 -13.502 -1.407 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.551 -14.827 -2.551 1.00 0.00 H new ATOM 390 N TYR A 24 -0.601 -12.208 0.381 1.00 0.00 N ATOM 391 CA TYR A 24 -1.680 -12.227 1.349 1.00 0.00 C ATOM 392 C TYR A 24 -3.032 -12.293 0.657 1.00 0.00 C ATOM 393 O TYR A 24 -3.933 -13.012 1.095 1.00 0.00 O ATOM 394 CB TYR A 24 -1.586 -11.008 2.233 1.00 0.00 C ATOM 395 CG TYR A 24 -2.549 -11.026 3.391 1.00 0.00 C ATOM 396 CD1 TYR A 24 -2.242 -11.699 4.563 1.00 0.00 C ATOM 397 CD2 TYR A 24 -3.761 -10.376 3.307 1.00 0.00 C ATOM 398 CE1 TYR A 24 -3.128 -11.717 5.616 1.00 0.00 C ATOM 399 CE2 TYR A 24 -4.648 -10.387 4.343 1.00 0.00 C ATOM 400 CZ TYR A 24 -4.334 -11.058 5.503 1.00 0.00 C ATOM 401 OH TYR A 24 -5.219 -11.060 6.558 1.00 0.00 O ATOM 0 H TYR A 24 -0.059 -11.344 0.374 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.585 -13.121 1.966 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.570 -10.927 2.618 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.771 -10.118 1.631 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.297 -12.215 4.651 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.014 -9.846 2.401 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.880 -12.244 6.525 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.593 -9.871 4.254 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.019 -10.549 6.315 1.00 0.00 H new ATOM 411 N LEU A 25 -3.151 -11.539 -0.411 1.00 0.00 N ATOM 412 CA LEU A 25 -4.349 -11.542 -1.283 1.00 0.00 C ATOM 413 C LEU A 25 -4.663 -12.937 -1.835 1.00 0.00 C ATOM 414 O LEU A 25 -5.827 -13.283 -2.034 1.00 0.00 O ATOM 415 CB LEU A 25 -4.201 -10.575 -2.461 1.00 0.00 C ATOM 416 CG LEU A 25 -4.166 -9.082 -2.144 1.00 0.00 C ATOM 417 CD1 LEU A 25 -3.930 -8.296 -3.412 1.00 0.00 C ATOM 418 CD2 LEU A 25 -5.457 -8.622 -1.495 1.00 0.00 C ATOM 0 H LEU A 25 -2.424 -10.893 -0.719 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.172 -11.217 -0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.283 -10.828 -2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.027 -10.754 -3.150 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.351 -8.907 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.906 -7.231 -3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.978 -8.593 -3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.735 -8.496 -4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.397 -7.554 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.291 -8.812 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.611 -9.169 -0.565 1.00 0.00 H new ATOM 430 N ALA A 26 -3.632 -13.723 -2.082 1.00 0.00 N ATOM 431 CA ALA A 26 -3.799 -15.089 -2.585 1.00 0.00 C ATOM 432 C ALA A 26 -4.101 -16.062 -1.442 1.00 0.00 C ATOM 433 O ALA A 26 -4.545 -17.193 -1.670 1.00 0.00 O ATOM 434 CB ALA A 26 -2.560 -15.538 -3.342 1.00 0.00 C ATOM 0 H ALA A 26 -2.661 -13.444 -1.944 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.647 -15.091 -3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.705 -16.555 -3.707 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.388 -14.871 -4.186 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.697 -15.511 -2.676 1.00 0.00 H new ATOM 440 N GLY A 27 -3.872 -15.617 -0.225 1.00 0.00 N ATOM 441 CA GLY A 27 -4.122 -16.426 0.929 1.00 0.00 C ATOM 442 C GLY A 27 -2.868 -17.032 1.505 1.00 0.00 C ATOM 443 O GLY A 27 -2.932 -17.962 2.315 1.00 0.00 O ATOM 0 H GLY A 27 -3.509 -14.687 -0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.610 -15.820 1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.816 -17.224 0.664 1.00 0.00 H new ATOM 447 N LYS A 28 -1.733 -16.506 1.111 1.00 0.00 N ATOM 448 CA LYS A 28 -0.458 -17.016 1.571 1.00 0.00 C ATOM 449 C LYS A 28 -0.062 -16.325 2.842 1.00 0.00 C ATOM 450 O LYS A 28 -0.402 -15.152 3.068 1.00 0.00 O ATOM 451 CB LYS A 28 0.633 -16.798 0.524 1.00 0.00 C ATOM 452 CG LYS A 28 0.268 -17.322 -0.850 1.00 0.00 C ATOM 453 CD LYS A 28 1.332 -16.998 -1.874 1.00 0.00 C ATOM 454 CE LYS A 28 2.664 -17.663 -1.568 1.00 0.00 C ATOM 455 NZ LYS A 28 3.676 -17.307 -2.575 1.00 0.00 N ATOM 0 H LYS A 28 -1.664 -15.718 0.467 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.567 -18.086 1.745 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.848 -15.732 0.452 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.549 -17.286 0.858 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.126 -18.402 -0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.682 -16.890 -1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.990 -17.315 -2.859 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.472 -15.918 -1.917 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.007 -17.359 -0.579 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.537 -18.745 -1.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.620 -17.570 -2.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.479 -17.817 -3.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.645 -16.283 -2.751 1.00 0.00 H new ATOM 469 N THR A 29 0.651 -17.026 3.650 1.00 0.00 N ATOM 470 CA THR A 29 1.122 -16.514 4.894 1.00 0.00 C ATOM 471 C THR A 29 2.460 -15.849 4.622 1.00 0.00 C ATOM 472 O THR A 29 3.455 -16.522 4.325 1.00 0.00 O ATOM 473 CB THR A 29 1.277 -17.660 5.915 1.00 0.00 C ATOM 474 OG1 THR A 29 0.063 -18.440 5.917 1.00 0.00 O ATOM 475 CG2 THR A 29 1.500 -17.107 7.314 1.00 0.00 C ATOM 0 H THR A 29 0.930 -17.989 3.465 1.00 0.00 H new ATOM 0 HA THR A 29 0.418 -15.796 5.316 1.00 0.00 H new ATOM 0 HB THR A 29 2.135 -18.271 5.635 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.147 -19.174 6.561 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.607 -17.932 8.019 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.406 -16.500 7.325 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.648 -16.492 7.602 1.00 0.00 H new ATOM 483 N VAL A 30 2.478 -14.542 4.644 1.00 0.00 N ATOM 484 CA VAL A 30 3.653 -13.833 4.286 1.00 0.00 C ATOM 485 C VAL A 30 4.471 -13.604 5.530 1.00 0.00 C ATOM 486 O VAL A 30 4.062 -12.860 6.428 1.00 0.00 O ATOM 487 CB VAL A 30 3.334 -12.473 3.646 1.00 0.00 C ATOM 488 CG1 VAL A 30 4.433 -12.071 2.689 1.00 0.00 C ATOM 489 CG2 VAL A 30 1.972 -12.450 2.971 1.00 0.00 C ATOM 0 H VAL A 30 1.685 -13.957 4.908 1.00 0.00 H new ATOM 0 HA VAL A 30 4.199 -14.428 3.553 1.00 0.00 H new ATOM 0 HB VAL A 30 3.287 -11.738 4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.193 -11.106 2.244 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.377 -11.996 3.229 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.523 -12.821 1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.798 -11.466 2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.943 -13.205 2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.197 -12.663 3.708 1.00 0.00 H new ATOM 499 N SER A 31 5.575 -14.260 5.611 1.00 0.00 N ATOM 500 CA SER A 31 6.446 -14.130 6.723 1.00 0.00 C ATOM 501 C SER A 31 7.215 -12.808 6.654 1.00 0.00 C ATOM 502 O SER A 31 7.890 -12.526 5.660 1.00 0.00 O ATOM 503 CB SER A 31 7.365 -15.341 6.746 1.00 0.00 C ATOM 504 OG SER A 31 7.817 -15.646 5.422 1.00 0.00 O ATOM 0 H SER A 31 5.902 -14.910 4.897 1.00 0.00 H new ATOM 0 HA SER A 31 5.882 -14.102 7.655 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.220 -15.145 7.394 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.838 -16.198 7.164 1.00 0.00 H new ATOM 0 HG SER A 31 8.025 -14.814 4.947 1.00 0.00 H new ATOM 510 N GLY A 32 7.068 -11.983 7.670 1.00 0.00 N ATOM 511 CA GLY A 32 7.770 -10.723 7.693 1.00 0.00 C ATOM 512 C GLY A 32 7.051 -9.635 6.931 1.00 0.00 C ATOM 513 O GLY A 32 7.693 -8.800 6.280 1.00 0.00 O ATOM 0 H GLY A 32 6.475 -12.162 8.481 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.905 -10.407 8.727 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.765 -10.859 7.269 1.00 0.00 H new ATOM 517 N ILE A 33 5.731 -9.661 6.957 1.00 0.00 N ATOM 518 CA ILE A 33 4.942 -8.639 6.319 1.00 0.00 C ATOM 519 C ILE A 33 4.335 -7.747 7.395 1.00 0.00 C ATOM 520 O ILE A 33 4.079 -8.209 8.524 1.00 0.00 O ATOM 521 CB ILE A 33 3.796 -9.266 5.438 1.00 0.00 C ATOM 522 CG1 ILE A 33 3.165 -8.203 4.525 1.00 0.00 C ATOM 523 CG2 ILE A 33 2.710 -9.934 6.306 1.00 0.00 C ATOM 524 CD1 ILE A 33 2.176 -8.782 3.527 1.00 0.00 C ATOM 0 H ILE A 33 5.185 -10.388 7.419 1.00 0.00 H new ATOM 0 HA ILE A 33 5.587 -8.056 5.661 1.00 0.00 H new ATOM 0 HB ILE A 33 4.251 -10.038 4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.658 -7.460 5.140 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.955 -7.683 3.984 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.937 -10.355 5.662 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.158 -10.729 6.902 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.266 -9.191 6.968 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.767 -7.980 2.913 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.684 -9.504 2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.367 -9.278 4.063 1.00 0.00 H new ATOM 536 N ASP A 34 4.174 -6.485 7.110 1.00 0.00 N ATOM 537 CA ASP A 34 3.446 -5.634 8.021 1.00 0.00 C ATOM 538 C ASP A 34 2.037 -5.677 7.549 1.00 0.00 C ATOM 539 O ASP A 34 1.689 -4.981 6.608 1.00 0.00 O ATOM 540 CB ASP A 34 3.934 -4.184 8.025 1.00 0.00 C ATOM 541 CG ASP A 34 3.350 -3.411 9.192 1.00 0.00 C ATOM 542 OD1 ASP A 34 3.946 -3.430 10.288 1.00 0.00 O ATOM 543 OD2 ASP A 34 2.291 -2.781 9.046 1.00 0.00 O ATOM 0 H ASP A 34 4.528 -6.025 6.271 1.00 0.00 H new ATOM 0 HA ASP A 34 3.581 -5.990 9.043 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.022 -4.164 8.081 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.654 -3.701 7.089 1.00 0.00 H new ATOM 548 N LYS A 35 1.237 -6.538 8.163 1.00 0.00 N ATOM 549 CA LYS A 35 -0.107 -6.852 7.694 1.00 0.00 C ATOM 550 C LYS A 35 -1.034 -5.616 7.689 1.00 0.00 C ATOM 551 O LYS A 35 -2.016 -5.564 6.946 1.00 0.00 O ATOM 552 CB LYS A 35 -0.707 -8.003 8.526 1.00 0.00 C ATOM 553 CG LYS A 35 -1.874 -8.710 7.842 1.00 0.00 C ATOM 554 CD LYS A 35 -2.452 -9.867 8.677 1.00 0.00 C ATOM 555 CE LYS A 35 -3.197 -9.408 9.934 1.00 0.00 C ATOM 556 NZ LYS A 35 -4.414 -8.615 9.616 1.00 0.00 N ATOM 0 H LYS A 35 1.504 -7.043 9.008 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.026 -7.177 6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.075 -8.733 8.738 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.044 -7.609 9.485 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.663 -7.985 7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.543 -9.096 6.878 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.132 -10.448 8.054 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.640 -10.533 8.970 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.479 -10.280 10.524 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.527 -8.809 10.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.963 -8.458 10.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.135 -7.698 9.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.996 -9.133 8.928 1.00 0.00 H new ATOM 570 N ASN A 36 -0.674 -4.617 8.467 1.00 0.00 N ATOM 571 CA ASN A 36 -1.446 -3.397 8.598 1.00 0.00 C ATOM 572 C ASN A 36 -1.219 -2.506 7.383 1.00 0.00 C ATOM 573 O ASN A 36 -2.112 -1.779 6.960 1.00 0.00 O ATOM 574 CB ASN A 36 -0.984 -2.595 9.815 1.00 0.00 C ATOM 575 CG ASN A 36 -0.645 -3.414 11.028 1.00 0.00 C ATOM 576 OD1 ASN A 36 -1.507 -3.747 11.841 1.00 0.00 O ATOM 577 ND2 ASN A 36 0.626 -3.694 11.192 1.00 0.00 N ATOM 0 H ASN A 36 0.174 -4.629 9.034 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.494 -3.682 8.696 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.108 -2.011 9.534 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.768 -1.886 10.082 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.933 -4.207 12.019 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.308 -3.399 10.493 1.00 0.00 H new ATOM 584 N ALA A 37 -0.027 -2.619 6.786 1.00 0.00 N ATOM 585 CA ALA A 37 0.409 -1.725 5.722 1.00 0.00 C ATOM 586 C ALA A 37 -0.213 -2.075 4.379 1.00 0.00 C ATOM 587 O ALA A 37 -0.024 -1.355 3.392 1.00 0.00 O ATOM 588 CB ALA A 37 1.921 -1.750 5.635 1.00 0.00 C ATOM 0 H ALA A 37 0.658 -3.334 7.031 1.00 0.00 H new ATOM 0 HA ALA A 37 0.070 -0.719 5.968 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.251 -1.082 4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.346 -1.422 6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.256 -2.764 5.419 1.00 0.00 H new ATOM 594 N LEU A 38 -0.962 -3.167 4.359 1.00 0.00 N ATOM 595 CA LEU A 38 -1.610 -3.657 3.155 1.00 0.00 C ATOM 596 C LEU A 38 -2.855 -2.896 2.854 1.00 0.00 C ATOM 597 O LEU A 38 -3.264 -2.828 1.718 1.00 0.00 O ATOM 598 CB LEU A 38 -1.968 -5.145 3.240 1.00 0.00 C ATOM 599 CG LEU A 38 -0.841 -6.163 3.135 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.074 -6.085 4.280 1.00 0.00 C ATOM 601 CD2 LEU A 38 -1.391 -7.549 3.008 1.00 0.00 C ATOM 0 H LEU A 38 -1.138 -3.741 5.184 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.881 -3.514 2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.479 -5.311 4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.686 -5.360 2.449 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.272 -5.923 2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.864 -6.828 4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.516 -5.090 4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.477 -6.279 5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.569 -8.261 2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.996 -7.782 3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.009 -7.614 2.113 1.00 0.00 H new ATOM 613 N ASP A 39 -3.469 -2.328 3.866 1.00 0.00 N ATOM 614 CA ASP A 39 -4.686 -1.581 3.661 1.00 0.00 C ATOM 615 C ASP A 39 -4.347 -0.146 3.318 1.00 0.00 C ATOM 616 O ASP A 39 -4.376 0.760 4.143 1.00 0.00 O ATOM 617 CB ASP A 39 -5.618 -1.717 4.852 1.00 0.00 C ATOM 618 CG ASP A 39 -6.900 -0.941 4.718 1.00 0.00 C ATOM 619 OD1 ASP A 39 -7.589 -1.025 3.665 1.00 0.00 O ATOM 620 OD2 ASP A 39 -7.284 -0.283 5.684 1.00 0.00 O ATOM 0 H ASP A 39 -3.148 -2.369 4.833 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.235 -1.993 2.814 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.857 -2.771 4.995 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.096 -1.384 5.749 1.00 0.00 H new ATOM 625 N ILE A 40 -3.951 0.002 2.088 1.00 0.00 N ATOM 626 CA ILE A 40 -3.417 1.214 1.533 1.00 0.00 C ATOM 627 C ILE A 40 -4.495 2.257 1.303 1.00 0.00 C ATOM 628 O ILE A 40 -4.277 3.451 1.535 1.00 0.00 O ATOM 629 CB ILE A 40 -2.653 0.890 0.225 1.00 0.00 C ATOM 630 CG1 ILE A 40 -1.640 -0.211 0.531 1.00 0.00 C ATOM 631 CG2 ILE A 40 -1.936 2.136 -0.304 1.00 0.00 C ATOM 632 CD1 ILE A 40 -1.019 -0.850 -0.669 1.00 0.00 C ATOM 0 H ILE A 40 -3.993 -0.758 1.409 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.722 1.646 2.253 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.353 0.559 -0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.848 0.207 1.152 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.133 -0.984 1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.405 1.888 -1.223 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.668 2.918 -0.507 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.224 2.490 0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.315 -1.618 -0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.797 -1.304 -1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.492 -0.095 -1.252 1.00 0.00 H new ATOM 644 N ASN A 41 -5.671 1.815 0.905 1.00 0.00 N ATOM 645 CA ASN A 41 -6.753 2.755 0.642 1.00 0.00 C ATOM 646 C ASN A 41 -7.443 3.154 1.953 1.00 0.00 C ATOM 647 O ASN A 41 -8.240 4.102 1.984 1.00 0.00 O ATOM 648 CB ASN A 41 -7.773 2.205 -0.390 1.00 0.00 C ATOM 649 CG ASN A 41 -8.747 1.177 0.156 1.00 0.00 C ATOM 650 OD1 ASN A 41 -8.465 0.453 1.102 1.00 0.00 O ATOM 651 ND2 ASN A 41 -9.879 1.069 -0.466 1.00 0.00 N ATOM 0 H ASN A 41 -5.904 0.833 0.758 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.313 3.647 0.196 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.341 3.041 -0.798 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.224 1.759 -1.219 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.559 0.369 -0.170 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.090 1.684 -1.252 1.00 0.00 H new ATOM 658 N GLY A 42 -7.097 2.439 3.038 1.00 0.00 N ATOM 659 CA GLY A 42 -7.649 2.722 4.348 1.00 0.00 C ATOM 660 C GLY A 42 -9.133 2.383 4.495 1.00 0.00 C ATOM 661 O GLY A 42 -9.943 3.270 4.785 1.00 0.00 O ATOM 0 H GLY A 42 -6.436 1.663 3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.085 2.163 5.095 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.507 3.780 4.568 1.00 0.00 H new ATOM 665 N ASP A 43 -9.495 1.133 4.284 1.00 0.00 N ATOM 666 CA ASP A 43 -10.892 0.714 4.461 1.00 0.00 C ATOM 667 C ASP A 43 -11.038 -0.277 5.609 1.00 0.00 C ATOM 668 O ASP A 43 -12.144 -0.546 6.074 1.00 0.00 O ATOM 669 CB ASP A 43 -11.580 0.179 3.157 1.00 0.00 C ATOM 670 CG ASP A 43 -10.910 -1.017 2.511 1.00 0.00 C ATOM 671 OD1 ASP A 43 -10.777 -1.070 1.282 1.00 0.00 O ATOM 672 OD2 ASP A 43 -10.404 -1.884 3.177 1.00 0.00 O ATOM 0 H ASP A 43 -8.859 0.390 3.993 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.430 1.627 4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.610 -0.087 3.393 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.619 0.989 2.429 1.00 0.00 H new ATOM 677 N GLY A 44 -9.926 -0.801 6.083 1.00 0.00 N ATOM 678 CA GLY A 44 -9.945 -1.747 7.173 1.00 0.00 C ATOM 679 C GLY A 44 -9.743 -3.185 6.728 1.00 0.00 C ATOM 680 O GLY A 44 -9.544 -4.081 7.563 1.00 0.00 O ATOM 0 H GLY A 44 -8.995 -0.585 5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.165 -1.483 7.887 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.897 -1.667 7.697 1.00 0.00 H new ATOM 684 N ALA A 45 -9.776 -3.419 5.435 1.00 0.00 N ATOM 685 CA ALA A 45 -9.629 -4.755 4.904 1.00 0.00 C ATOM 686 C ALA A 45 -8.605 -4.776 3.779 1.00 0.00 C ATOM 687 O ALA A 45 -8.398 -3.778 3.092 1.00 0.00 O ATOM 688 CB ALA A 45 -10.970 -5.253 4.406 1.00 0.00 C ATOM 0 H ALA A 45 -9.904 -2.695 4.728 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.274 -5.413 5.697 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.858 -6.261 4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.682 -5.267 5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.336 -4.590 3.622 1.00 0.00 H new ATOM 694 N VAL A 46 -7.969 -5.893 3.592 1.00 0.00 N ATOM 695 CA VAL A 46 -6.996 -6.055 2.579 1.00 0.00 C ATOM 696 C VAL A 46 -7.680 -6.612 1.343 1.00 0.00 C ATOM 697 O VAL A 46 -8.092 -7.785 1.299 1.00 0.00 O ATOM 698 CB VAL A 46 -5.881 -6.995 3.040 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.852 -7.122 1.970 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.250 -6.494 4.328 1.00 0.00 C ATOM 0 H VAL A 46 -8.122 -6.729 4.156 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.540 -5.091 2.352 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.312 -7.977 3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.060 -7.793 2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.313 -7.525 1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.429 -6.141 1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.460 -7.179 4.636 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.828 -5.502 4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.009 -6.441 5.108 1.00 0.00 H new ATOM 710 N ASN A 47 -7.831 -5.773 0.382 1.00 0.00 N ATOM 711 CA ASN A 47 -8.548 -6.086 -0.817 1.00 0.00 C ATOM 712 C ASN A 47 -7.809 -5.610 -2.052 1.00 0.00 C ATOM 713 O ASN A 47 -6.773 -4.950 -1.948 1.00 0.00 O ATOM 714 CB ASN A 47 -10.019 -5.575 -0.720 1.00 0.00 C ATOM 715 CG ASN A 47 -10.177 -4.170 -0.101 1.00 0.00 C ATOM 716 OD1 ASN A 47 -9.375 -3.248 -0.316 1.00 0.00 O ATOM 717 ND2 ASN A 47 -11.164 -4.021 0.735 1.00 0.00 N ATOM 0 H ASN A 47 -7.453 -4.826 0.401 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.605 -7.169 -0.924 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.453 -5.567 -1.720 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.597 -6.285 -0.128 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.288 -3.135 1.226 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.814 -4.790 0.899 1.00 0.00 H new ATOM 724 N GLY A 48 -8.332 -5.944 -3.228 1.00 0.00 N ATOM 725 CA GLY A 48 -7.678 -5.588 -4.487 1.00 0.00 C ATOM 726 C GLY A 48 -7.649 -4.096 -4.747 1.00 0.00 C ATOM 727 O GLY A 48 -6.907 -3.627 -5.596 1.00 0.00 O ATOM 0 H GLY A 48 -9.205 -6.460 -3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.656 -5.968 -4.478 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.195 -6.083 -5.309 1.00 0.00 H new ATOM 731 N ARG A 49 -8.467 -3.363 -4.018 1.00 0.00 N ATOM 732 CA ARG A 49 -8.483 -1.908 -4.071 1.00 0.00 C ATOM 733 C ARG A 49 -7.154 -1.375 -3.591 1.00 0.00 C ATOM 734 O ARG A 49 -6.608 -0.448 -4.163 1.00 0.00 O ATOM 735 CB ARG A 49 -9.582 -1.376 -3.169 1.00 0.00 C ATOM 736 CG ARG A 49 -10.993 -1.708 -3.609 1.00 0.00 C ATOM 737 CD ARG A 49 -11.514 -0.744 -4.677 1.00 0.00 C ATOM 738 NE ARG A 49 -10.758 -0.784 -5.947 1.00 0.00 N ATOM 739 CZ ARG A 49 -10.393 0.313 -6.651 1.00 0.00 C ATOM 740 NH1 ARG A 49 -10.583 1.531 -6.148 1.00 0.00 N ATOM 741 NH2 ARG A 49 -9.804 0.187 -7.824 1.00 0.00 N ATOM 0 H ARG A 49 -9.145 -3.759 -3.367 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.664 -1.588 -5.097 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.429 -1.771 -2.165 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.484 -0.292 -3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.019 -2.726 -3.998 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.656 -1.681 -2.744 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.559 -0.976 -4.881 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.484 0.271 -4.281 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.494 -1.697 -6.317 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.006 1.642 -5.227 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.305 2.353 -6.684 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.621 -0.741 -8.206 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.531 1.018 -8.350 1.00 0.00 H new ATOM 755 N ASP A 50 -6.631 -2.015 -2.554 1.00 0.00 N ATOM 756 CA ASP A 50 -5.345 -1.660 -1.970 1.00 0.00 C ATOM 757 C ASP A 50 -4.250 -1.973 -2.942 1.00 0.00 C ATOM 758 O ASP A 50 -3.305 -1.223 -3.081 1.00 0.00 O ATOM 759 CB ASP A 50 -5.090 -2.440 -0.705 1.00 0.00 C ATOM 760 CG ASP A 50 -6.140 -2.254 0.327 1.00 0.00 C ATOM 761 OD1 ASP A 50 -6.332 -1.149 0.824 1.00 0.00 O ATOM 762 OD2 ASP A 50 -6.848 -3.203 0.676 1.00 0.00 O ATOM 0 H ASP A 50 -7.090 -2.800 -2.092 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.364 -0.595 -1.738 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.016 -3.500 -0.950 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.127 -2.140 -0.291 1.00 0.00 H new ATOM 767 N LEU A 51 -4.406 -3.093 -3.625 1.00 0.00 N ATOM 768 CA LEU A 51 -3.486 -3.520 -4.671 1.00 0.00 C ATOM 769 C LEU A 51 -3.435 -2.475 -5.775 1.00 0.00 C ATOM 770 O LEU A 51 -2.364 -2.069 -6.202 1.00 0.00 O ATOM 771 CB LEU A 51 -3.920 -4.893 -5.221 1.00 0.00 C ATOM 772 CG LEU A 51 -3.246 -5.410 -6.510 1.00 0.00 C ATOM 773 CD1 LEU A 51 -1.733 -5.545 -6.363 1.00 0.00 C ATOM 774 CD2 LEU A 51 -3.847 -6.745 -6.893 1.00 0.00 C ATOM 0 H LEU A 51 -5.180 -3.739 -3.470 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.484 -3.622 -4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.753 -5.633 -4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.995 -4.855 -5.400 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.428 -4.675 -7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.308 -5.912 -7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.302 -4.572 -6.126 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.507 -6.247 -5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.371 -7.110 -7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.686 -7.461 -6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.917 -6.626 -7.065 1.00 0.00 H new ATOM 786 N MET A 52 -4.601 -2.003 -6.181 1.00 0.00 N ATOM 787 CA MET A 52 -4.704 -0.982 -7.216 1.00 0.00 C ATOM 788 C MET A 52 -4.144 0.359 -6.740 1.00 0.00 C ATOM 789 O MET A 52 -3.667 1.174 -7.549 1.00 0.00 O ATOM 790 CB MET A 52 -6.138 -0.864 -7.742 1.00 0.00 C ATOM 791 CG MET A 52 -6.593 -2.119 -8.472 1.00 0.00 C ATOM 792 SD MET A 52 -8.238 -1.991 -9.189 1.00 0.00 S ATOM 793 CE MET A 52 -8.353 -3.579 -10.009 1.00 0.00 C ATOM 0 H MET A 52 -5.498 -2.312 -5.807 1.00 0.00 H new ATOM 0 HA MET A 52 -4.085 -1.296 -8.057 1.00 0.00 H new ATOM 0 HB2 MET A 52 -6.813 -0.667 -6.909 1.00 0.00 H new ATOM 0 HB3 MET A 52 -6.206 -0.010 -8.416 1.00 0.00 H new ATOM 0 HG2 MET A 52 -5.879 -2.346 -9.264 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.575 -2.958 -7.777 1.00 0.00 H new ATOM 0 HE1 MET A 52 -9.319 -3.662 -10.507 1.00 0.00 H new ATOM 0 HE2 MET A 52 -7.556 -3.666 -10.747 1.00 0.00 H new ATOM 0 HE3 MET A 52 -8.254 -4.377 -9.273 1.00 0.00 H new ATOM 803 N GLU A 53 -4.196 0.589 -5.441 1.00 0.00 N ATOM 804 CA GLU A 53 -3.559 1.744 -4.842 1.00 0.00 C ATOM 805 C GLU A 53 -2.063 1.597 -4.921 1.00 0.00 C ATOM 806 O GLU A 53 -1.380 2.504 -5.353 1.00 0.00 O ATOM 807 CB GLU A 53 -3.971 1.928 -3.380 1.00 0.00 C ATOM 808 CG GLU A 53 -5.382 2.412 -3.188 1.00 0.00 C ATOM 809 CD GLU A 53 -5.586 3.768 -3.796 1.00 0.00 C ATOM 810 OE1 GLU A 53 -5.188 4.781 -3.189 1.00 0.00 O ATOM 811 OE2 GLU A 53 -6.130 3.863 -4.902 1.00 0.00 O ATOM 0 H GLU A 53 -4.678 -0.016 -4.776 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.883 2.624 -5.398 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.852 0.978 -2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.290 2.637 -2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.076 1.702 -3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.613 2.451 -2.123 1.00 0.00 H new ATOM 818 N LEU A 54 -1.578 0.431 -4.529 1.00 0.00 N ATOM 819 CA LEU A 54 -0.162 0.109 -4.496 1.00 0.00 C ATOM 820 C LEU A 54 0.492 0.274 -5.859 1.00 0.00 C ATOM 821 O LEU A 54 1.541 0.890 -5.963 1.00 0.00 O ATOM 822 CB LEU A 54 0.033 -1.307 -4.000 1.00 0.00 C ATOM 823 CG LEU A 54 1.467 -1.739 -3.708 1.00 0.00 C ATOM 824 CD1 LEU A 54 2.124 -0.809 -2.693 1.00 0.00 C ATOM 825 CD2 LEU A 54 1.463 -3.148 -3.190 1.00 0.00 C ATOM 0 H LEU A 54 -2.173 -0.337 -4.217 1.00 0.00 H new ATOM 0 HA LEU A 54 0.319 0.809 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.552 -1.432 -3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.383 -1.988 -4.742 1.00 0.00 H new ATOM 0 HG LEU A 54 2.044 -1.687 -4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.145 -1.140 -2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.139 0.207 -3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.558 -0.828 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.486 -3.461 -2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.873 -3.198 -2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.027 -3.810 -3.939 1.00 0.00 H new ATOM 837 N ILE A 55 -0.144 -0.273 -6.889 1.00 0.00 N ATOM 838 CA ILE A 55 0.333 -0.152 -8.289 1.00 0.00 C ATOM 839 C ILE A 55 0.506 1.326 -8.632 1.00 0.00 C ATOM 840 O ILE A 55 1.531 1.713 -9.153 1.00 0.00 O ATOM 841 CB ILE A 55 -0.653 -0.811 -9.308 1.00 0.00 C ATOM 842 CG1 ILE A 55 -0.953 -2.268 -8.913 1.00 0.00 C ATOM 843 CG2 ILE A 55 -0.054 -0.775 -10.721 1.00 0.00 C ATOM 844 CD1 ILE A 55 -2.067 -2.926 -9.723 1.00 0.00 C ATOM 0 H ILE A 55 -1.003 -0.814 -6.793 1.00 0.00 H new ATOM 0 HA ILE A 55 1.284 -0.679 -8.365 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.584 -0.245 -9.294 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.043 -2.857 -9.026 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.223 -2.297 -7.857 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.749 -1.236 -11.423 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.124 0.260 -11.014 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.888 -1.322 -10.731 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.211 -3.950 -9.378 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.992 -2.365 -9.592 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.794 -2.934 -10.778 1.00 0.00 H new ATOM 856 N LYS A 56 -0.483 2.138 -8.265 1.00 0.00 N ATOM 857 CA LYS A 56 -0.424 3.589 -8.444 1.00 0.00 C ATOM 858 C LYS A 56 0.799 4.185 -7.739 1.00 0.00 C ATOM 859 O LYS A 56 1.580 4.899 -8.363 1.00 0.00 O ATOM 860 CB LYS A 56 -1.719 4.243 -7.921 1.00 0.00 C ATOM 861 CG LYS A 56 -1.617 5.751 -7.645 1.00 0.00 C ATOM 862 CD LYS A 56 -2.946 6.354 -7.215 1.00 0.00 C ATOM 863 CE LYS A 56 -3.441 5.742 -5.916 1.00 0.00 C ATOM 864 NZ LYS A 56 -4.680 6.374 -5.436 1.00 0.00 N ATOM 0 H LYS A 56 -1.348 1.810 -7.835 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.329 3.796 -9.510 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.513 4.075 -8.648 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.017 3.740 -7.001 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.874 5.926 -6.867 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.264 6.259 -8.543 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.835 7.431 -7.092 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.688 6.198 -7.998 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.613 4.676 -6.062 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.668 5.839 -5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.923 5.994 -4.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.541 7.402 -5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.453 6.173 -6.102 1.00 0.00 H new ATOM 878 N LYS A 57 0.970 3.832 -6.460 1.00 0.00 N ATOM 879 CA LYS A 57 2.057 4.354 -5.623 1.00 0.00 C ATOM 880 C LYS A 57 3.392 4.041 -6.261 1.00 0.00 C ATOM 881 O LYS A 57 4.178 4.922 -6.561 1.00 0.00 O ATOM 882 CB LYS A 57 2.066 3.696 -4.226 1.00 0.00 C ATOM 883 CG LYS A 57 0.744 3.597 -3.504 1.00 0.00 C ATOM 884 CD LYS A 57 0.056 4.928 -3.230 1.00 0.00 C ATOM 885 CE LYS A 57 0.573 5.628 -1.948 1.00 0.00 C ATOM 886 NZ LYS A 57 1.948 6.154 -2.042 1.00 0.00 N ATOM 0 H LYS A 57 0.358 3.176 -5.975 1.00 0.00 H new ATOM 0 HA LYS A 57 1.896 5.428 -5.528 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.471 2.689 -4.329 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.756 4.255 -3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.072 2.973 -4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.904 3.086 -2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.205 5.590 -4.083 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.018 4.763 -3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.100 6.450 -1.704 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.525 4.920 -1.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.999 7.078 -1.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.605 5.492 -1.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.210 6.264 -3.042 1.00 0.00 H new ATOM 900 N VAL A 58 3.590 2.775 -6.508 1.00 0.00 N ATOM 901 CA VAL A 58 4.823 2.235 -7.003 1.00 0.00 C ATOM 902 C VAL A 58 5.147 2.679 -8.432 1.00 0.00 C ATOM 903 O VAL A 58 6.311 2.998 -8.745 1.00 0.00 O ATOM 904 CB VAL A 58 4.784 0.703 -6.875 1.00 0.00 C ATOM 905 CG1 VAL A 58 6.022 0.064 -7.446 1.00 0.00 C ATOM 906 CG2 VAL A 58 4.633 0.335 -5.410 1.00 0.00 C ATOM 0 H VAL A 58 2.870 2.067 -6.364 1.00 0.00 H new ATOM 0 HA VAL A 58 5.635 2.633 -6.394 1.00 0.00 H new ATOM 0 HB VAL A 58 3.934 0.329 -7.446 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.956 -1.018 -7.337 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.108 0.317 -8.503 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.899 0.430 -6.913 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.604 -0.750 -5.308 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.478 0.730 -4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.708 0.760 -5.022 1.00 0.00 H new