USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 430 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 Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.219 K(o=-0.22,f=-1.8!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.013 USER MOD Single : A 48 TYR OH : rot 180:sc=-0.00297 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -118:sc= -0.0893 (180deg=-1.17) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -114:sc= -0.81 (180deg=-1.49) USER MOD Single : A 59 GLN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N GLY A 9 -11.332 -6.107 8.087 1.00 0.00 N ATOM 83 CA GLY A 9 -10.619 -5.747 9.297 1.00 0.00 C ATOM 84 C GLY A 9 -9.199 -5.294 9.020 1.00 0.00 C ATOM 85 O GLY A 9 -8.631 -4.504 9.775 1.00 0.00 O ATOM 0 HA2 GLY A 9 -11.158 -4.950 9.809 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.599 -6.603 9.972 1.00 0.00 H new ATOM 89 N THR A 10 -8.621 -5.795 7.932 1.00 0.00 N ATOM 90 CA THR A 10 -7.258 -5.439 7.557 1.00 0.00 C ATOM 91 C THR A 10 -7.223 -4.112 6.808 1.00 0.00 C ATOM 92 O THR A 10 -6.407 -3.239 7.108 1.00 0.00 O ATOM 93 CB THR A 10 -6.614 -6.528 6.679 1.00 0.00 C ATOM 94 OG1 THR A 10 -6.552 -7.764 7.400 1.00 0.00 O ATOM 95 CG2 THR A 10 -5.215 -6.117 6.247 1.00 0.00 C ATOM 0 H THR A 10 -9.076 -6.449 7.295 1.00 0.00 H new ATOM 0 HA THR A 10 -6.690 -5.346 8.483 1.00 0.00 H new ATOM 0 HB THR A 10 -7.229 -6.657 5.788 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.143 -8.452 6.835 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.780 -6.902 5.628 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.268 -5.191 5.675 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.592 -5.963 7.128 1.00 0.00 H new ATOM 103 N ILE A 11 -8.112 -3.965 5.832 1.00 0.00 N ATOM 104 CA ILE A 11 -8.183 -2.742 5.040 1.00 0.00 C ATOM 105 C ILE A 11 -8.384 -1.522 5.933 1.00 0.00 C ATOM 106 O ILE A 11 -7.726 -0.496 5.756 1.00 0.00 O ATOM 107 CB ILE A 11 -9.325 -2.804 4.009 1.00 0.00 C ATOM 108 CG1 ILE A 11 -9.199 -4.065 3.152 1.00 0.00 C ATOM 109 CG2 ILE A 11 -9.317 -1.559 3.134 1.00 0.00 C ATOM 110 CD1 ILE A 11 -10.496 -4.832 3.011 1.00 0.00 C ATOM 0 H ILE A 11 -8.794 -4.677 5.570 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.234 -2.651 4.512 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.275 -2.843 4.542 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.841 -3.787 2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.445 -4.719 3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.130 -1.618 2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.450 -0.675 3.758 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.366 -1.491 2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.332 -5.713 2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.845 -5.141 3.996 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.247 -4.195 2.544 1.00 0.00 H new ATOM 122 N ASP A 12 -9.297 -1.640 6.891 1.00 0.00 N ATOM 123 CA ASP A 12 -9.583 -0.547 7.813 1.00 0.00 C ATOM 124 C ASP A 12 -8.296 0.004 8.420 1.00 0.00 C ATOM 125 O ASP A 12 -8.237 1.164 8.825 1.00 0.00 O ATOM 126 CB ASP A 12 -10.522 -1.021 8.923 1.00 0.00 C ATOM 127 CG ASP A 12 -11.040 0.125 9.771 1.00 0.00 C ATOM 128 OD1 ASP A 12 -11.062 1.270 9.273 1.00 0.00 O ATOM 129 OD2 ASP A 12 -11.424 -0.125 10.933 1.00 0.00 O ATOM 0 H ASP A 12 -9.852 -2.481 7.049 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.069 0.251 7.252 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.365 -1.552 8.480 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.997 -1.732 9.560 1.00 0.00 H new ATOM 134 N GLN A 13 -7.268 -0.838 8.478 1.00 0.00 N ATOM 135 CA GLN A 13 -5.983 -0.435 9.037 1.00 0.00 C ATOM 136 C GLN A 13 -5.049 0.072 7.943 1.00 0.00 C ATOM 137 O GLN A 13 -4.367 1.084 8.114 1.00 0.00 O ATOM 138 CB GLN A 13 -5.334 -1.607 9.775 1.00 0.00 C ATOM 139 CG GLN A 13 -6.110 -2.057 11.003 1.00 0.00 C ATOM 140 CD GLN A 13 -5.586 -3.357 11.580 1.00 0.00 C ATOM 141 OE1 GLN A 13 -4.456 -3.761 11.305 1.00 0.00 O ATOM 142 NE2 GLN A 13 -6.407 -4.022 12.385 1.00 0.00 N ATOM 0 H GLN A 13 -7.300 -1.802 8.145 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.161 0.376 9.743 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.236 -2.448 9.089 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.326 -1.322 10.076 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.060 -1.279 11.765 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.161 -2.178 10.740 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.336 -3.651 12.586 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.109 -4.904 12.802 1.00 0.00 H new ATOM 151 N LEU A 14 -5.022 -0.636 6.820 1.00 0.00 N ATOM 152 CA LEU A 14 -4.171 -0.258 5.697 1.00 0.00 C ATOM 153 C LEU A 14 -4.472 1.166 5.242 1.00 0.00 C ATOM 154 O LEU A 14 -3.599 2.035 5.270 1.00 0.00 O ATOM 155 CB LEU A 14 -4.367 -1.230 4.532 1.00 0.00 C ATOM 156 CG LEU A 14 -3.752 -0.810 3.197 1.00 0.00 C ATOM 157 CD1 LEU A 14 -2.247 -0.634 3.335 1.00 0.00 C ATOM 158 CD2 LEU A 14 -4.074 -1.833 2.117 1.00 0.00 C ATOM 0 H LEU A 14 -5.580 -1.475 6.662 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.133 -0.303 6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.946 -2.195 4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.437 -1.379 4.385 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.184 0.147 2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.826 -0.335 2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.037 0.135 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.798 -1.576 3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.629 -1.518 1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.670 -2.804 2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.155 -1.911 2.000 1.00 0.00 H new ATOM 170 N VAL A 15 -5.711 1.400 4.825 1.00 0.00 N ATOM 171 CA VAL A 15 -6.128 2.720 4.366 1.00 0.00 C ATOM 172 C VAL A 15 -5.570 3.816 5.267 1.00 0.00 C ATOM 173 O VAL A 15 -4.960 4.774 4.792 1.00 0.00 O ATOM 174 CB VAL A 15 -7.663 2.840 4.322 1.00 0.00 C ATOM 175 CG1 VAL A 15 -8.083 4.301 4.273 1.00 0.00 C ATOM 176 CG2 VAL A 15 -8.222 2.076 3.131 1.00 0.00 C ATOM 0 H VAL A 15 -6.445 0.692 4.795 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.732 2.844 3.358 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.071 2.400 5.232 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.171 4.366 4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.714 4.816 5.160 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.666 4.770 3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.308 2.171 3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.808 2.485 2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.951 1.023 3.214 1.00 0.00 H new ATOM 186 N LYS A 16 -5.782 3.668 6.570 1.00 0.00 N ATOM 187 CA LYS A 16 -5.299 4.644 7.540 1.00 0.00 C ATOM 188 C LYS A 16 -3.832 4.978 7.290 1.00 0.00 C ATOM 189 O LYS A 16 -3.402 6.115 7.486 1.00 0.00 O ATOM 190 CB LYS A 16 -5.476 4.111 8.963 1.00 0.00 C ATOM 191 CG LYS A 16 -4.176 3.672 9.615 1.00 0.00 C ATOM 192 CD LYS A 16 -4.425 2.979 10.944 1.00 0.00 C ATOM 193 CE LYS A 16 -3.471 3.478 12.020 1.00 0.00 C ATOM 194 NZ LYS A 16 -2.838 2.354 12.765 1.00 0.00 N ATOM 0 H LYS A 16 -6.285 2.881 6.979 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.886 5.555 7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.937 4.885 9.577 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.165 3.267 8.943 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.642 2.997 8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.535 4.540 9.771 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.454 3.153 11.259 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.307 1.902 10.822 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.696 4.092 11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.013 4.117 12.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.196 2.735 13.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.576 1.782 13.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.300 1.759 12.104 1.00 0.00 H new ATOM 208 N ARG A 17 -3.067 3.981 6.856 1.00 0.00 N ATOM 209 CA ARG A 17 -1.649 4.169 6.579 1.00 0.00 C ATOM 210 C ARG A 17 -1.447 5.085 5.375 1.00 0.00 C ATOM 211 O ARG A 17 -1.005 6.225 5.514 1.00 0.00 O ATOM 212 CB ARG A 17 -0.972 2.821 6.328 1.00 0.00 C ATOM 213 CG ARG A 17 -1.233 1.796 7.420 1.00 0.00 C ATOM 214 CD ARG A 17 -0.192 0.688 7.405 1.00 0.00 C ATOM 215 NE ARG A 17 0.038 0.135 8.737 1.00 0.00 N ATOM 216 CZ ARG A 17 -0.756 -0.765 9.306 1.00 0.00 C ATOM 217 NH1 ARG A 17 -1.826 -1.211 8.663 1.00 0.00 N ATOM 218 NH2 ARG A 17 -0.480 -1.221 10.521 1.00 0.00 N ATOM 0 H ARG A 17 -3.407 3.034 6.689 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.194 4.638 7.451 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.320 2.421 5.375 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.103 2.975 6.236 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.227 2.289 8.392 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.226 1.366 7.287 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.518 -0.107 6.734 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.745 1.077 7.007 1.00 0.00 H new ATOM 0 HE ARG A 17 0.853 0.458 9.259 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.041 -0.863 7.729 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.434 -1.902 9.103 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.342 -0.880 11.019 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.090 -1.912 10.957 1.00 0.00 H new ATOM 232 N VAL A 18 -1.772 4.576 4.190 1.00 0.00 N ATOM 233 CA VAL A 18 -1.627 5.345 2.961 1.00 0.00 C ATOM 234 C VAL A 18 -2.012 6.804 3.178 1.00 0.00 C ATOM 235 O VAL A 18 -1.539 7.694 2.470 1.00 0.00 O ATOM 236 CB VAL A 18 -2.490 4.761 1.828 1.00 0.00 C ATOM 237 CG1 VAL A 18 -2.017 3.364 1.461 1.00 0.00 C ATOM 238 CG2 VAL A 18 -3.958 4.748 2.229 1.00 0.00 C ATOM 0 H VAL A 18 -2.138 3.633 4.056 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.577 5.288 2.674 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.382 5.397 0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.639 2.968 0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.980 3.407 1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.092 2.714 2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.553 4.332 1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.086 4.137 3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.288 5.766 2.436 1.00 0.00 H new ATOM 248 N ILE A 19 -2.873 7.044 4.162 1.00 0.00 N ATOM 249 CA ILE A 19 -3.320 8.396 4.474 1.00 0.00 C ATOM 250 C ILE A 19 -2.253 9.164 5.246 1.00 0.00 C ATOM 251 O ILE A 19 -1.695 10.140 4.749 1.00 0.00 O ATOM 252 CB ILE A 19 -4.623 8.382 5.294 1.00 0.00 C ATOM 253 CG1 ILE A 19 -5.721 7.632 4.538 1.00 0.00 C ATOM 254 CG2 ILE A 19 -5.065 9.803 5.609 1.00 0.00 C ATOM 255 CD1 ILE A 19 -6.508 8.508 3.589 1.00 0.00 C ATOM 0 H ILE A 19 -3.275 6.319 4.757 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.505 8.895 3.523 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.437 7.863 6.234 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.270 6.814 3.975 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.406 7.184 5.258 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.987 9.777 6.189 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.288 10.306 6.185 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.236 10.345 4.679 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.269 7.910 3.088 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.988 9.311 4.148 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.835 8.936 2.846 1.00 0.00 H new ATOM 267 N GLU A 20 -1.973 8.712 6.465 1.00 0.00 N ATOM 268 CA GLU A 20 -0.972 9.357 7.306 1.00 0.00 C ATOM 269 C GLU A 20 0.421 9.214 6.700 1.00 0.00 C ATOM 270 O GLU A 20 1.362 9.891 7.111 1.00 0.00 O ATOM 271 CB GLU A 20 -0.992 8.755 8.713 1.00 0.00 C ATOM 272 CG GLU A 20 -2.381 8.361 9.187 1.00 0.00 C ATOM 273 CD GLU A 20 -2.755 9.014 10.503 1.00 0.00 C ATOM 274 OE1 GLU A 20 -2.861 10.258 10.540 1.00 0.00 O ATOM 275 OE2 GLU A 20 -2.943 8.281 11.496 1.00 0.00 O ATOM 0 H GLU A 20 -2.425 7.903 6.891 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.215 10.418 7.368 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.348 7.876 8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.569 9.475 9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.112 8.638 8.428 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.430 7.278 9.296 1.00 0.00 H new ATOM 282 N GLY A 21 0.546 8.326 5.718 1.00 0.00 N ATOM 283 CA GLY A 21 1.826 8.108 5.071 1.00 0.00 C ATOM 284 C GLY A 21 2.754 7.240 5.898 1.00 0.00 C ATOM 285 O GLY A 21 3.860 6.916 5.467 1.00 0.00 O ATOM 0 H GLY A 21 -0.218 7.753 5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.664 7.639 4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.304 9.070 4.884 1.00 0.00 H new ATOM 289 N SER A 22 2.304 6.866 7.092 1.00 0.00 N ATOM 290 CA SER A 22 3.104 6.036 7.984 1.00 0.00 C ATOM 291 C SER A 22 3.862 4.969 7.200 1.00 0.00 C ATOM 292 O SER A 22 4.912 4.494 7.632 1.00 0.00 O ATOM 293 CB SER A 22 2.211 5.373 9.036 1.00 0.00 C ATOM 294 OG SER A 22 2.946 4.445 9.815 1.00 0.00 O ATOM 0 H SER A 22 1.390 7.125 7.463 1.00 0.00 H new ATOM 0 HA SER A 22 3.829 6.678 8.484 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.779 6.136 9.684 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.381 4.864 8.545 1.00 0.00 H new ATOM 0 HG SER A 22 2.355 4.036 10.481 1.00 0.00 H new ATOM 300 N LEU A 23 3.321 4.598 6.044 1.00 0.00 N ATOM 301 CA LEU A 23 3.946 3.587 5.198 1.00 0.00 C ATOM 302 C LEU A 23 4.636 4.231 3.999 1.00 0.00 C ATOM 303 O LEU A 23 4.077 5.113 3.348 1.00 0.00 O ATOM 304 CB LEU A 23 2.900 2.580 4.717 1.00 0.00 C ATOM 305 CG LEU A 23 2.258 2.875 3.360 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.664 1.608 2.764 1.00 0.00 C ATOM 307 CD2 LEU A 23 1.192 3.952 3.497 1.00 0.00 C ATOM 0 H LEU A 23 2.452 4.982 5.672 1.00 0.00 H new ATOM 0 HA LEU A 23 4.698 3.067 5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.367 1.596 4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.110 2.522 5.465 1.00 0.00 H new ATOM 0 HG LEU A 23 3.032 3.241 2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.212 1.837 1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.451 0.866 2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.903 1.212 3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.746 4.149 2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.420 3.614 4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.646 4.866 3.880 1.00 0.00 H new ATOM 319 N SER A 24 5.854 3.783 3.713 1.00 0.00 N ATOM 320 CA SER A 24 6.623 4.317 2.595 1.00 0.00 C ATOM 321 C SER A 24 5.799 4.292 1.310 1.00 0.00 C ATOM 322 O SER A 24 4.811 3.569 1.189 1.00 0.00 O ATOM 323 CB SER A 24 7.910 3.514 2.404 1.00 0.00 C ATOM 324 OG SER A 24 9.009 4.155 3.029 1.00 0.00 O ATOM 0 H SER A 24 6.330 3.051 4.240 1.00 0.00 H new ATOM 0 HA SER A 24 6.880 5.352 2.823 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.784 2.514 2.820 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.113 3.393 1.340 1.00 0.00 H new ATOM 0 HG SER A 24 9.819 3.621 2.894 1.00 0.00 H new ATOM 330 N PRO A 25 6.216 5.104 0.326 1.00 0.00 N ATOM 331 CA PRO A 25 5.533 5.194 -0.968 1.00 0.00 C ATOM 332 C PRO A 25 5.704 3.930 -1.803 1.00 0.00 C ATOM 333 O PRO A 25 4.886 3.632 -2.674 1.00 0.00 O ATOM 334 CB PRO A 25 6.218 6.381 -1.648 1.00 0.00 C ATOM 335 CG PRO A 25 7.567 6.452 -1.021 1.00 0.00 C ATOM 336 CD PRO A 25 7.387 5.993 0.401 1.00 0.00 C ATOM 0 HA PRO A 25 4.456 5.314 -0.853 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.290 6.232 -2.725 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.659 7.304 -1.490 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.277 5.816 -1.550 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.961 7.468 -1.056 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.268 5.467 0.768 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.213 6.832 1.075 1.00 0.00 H new ATOM 344 N LYS A 26 6.773 3.188 -1.533 1.00 0.00 N ATOM 345 CA LYS A 26 7.052 1.954 -2.258 1.00 0.00 C ATOM 346 C LYS A 26 6.194 0.808 -1.732 1.00 0.00 C ATOM 347 O LYS A 26 5.710 -0.021 -2.503 1.00 0.00 O ATOM 348 CB LYS A 26 8.534 1.592 -2.139 1.00 0.00 C ATOM 349 CG LYS A 26 8.962 0.465 -3.064 1.00 0.00 C ATOM 350 CD LYS A 26 9.252 0.975 -4.466 1.00 0.00 C ATOM 351 CE LYS A 26 10.266 0.095 -5.179 1.00 0.00 C ATOM 352 NZ LYS A 26 9.840 -0.226 -6.570 1.00 0.00 N ATOM 0 H LYS A 26 7.461 3.420 -0.817 1.00 0.00 H new ATOM 0 HA LYS A 26 6.807 2.116 -3.308 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.134 2.476 -2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.748 1.306 -1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.851 -0.020 -2.661 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.178 -0.291 -3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.327 1.006 -5.042 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.629 1.996 -4.412 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.232 0.599 -5.202 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.402 -0.830 -4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.558 -0.828 -7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.930 -0.730 -6.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.734 0.655 -7.113 1.00 0.00 H new ATOM 366 N GLU A 27 6.009 0.769 -0.416 1.00 0.00 N ATOM 367 CA GLU A 27 5.208 -0.276 0.211 1.00 0.00 C ATOM 368 C GLU A 27 3.822 -0.353 -0.422 1.00 0.00 C ATOM 369 O GLU A 27 3.324 -1.439 -0.720 1.00 0.00 O ATOM 370 CB GLU A 27 5.080 -0.019 1.714 1.00 0.00 C ATOM 371 CG GLU A 27 5.994 -0.889 2.560 1.00 0.00 C ATOM 372 CD GLU A 27 5.330 -2.182 2.995 1.00 0.00 C ATOM 373 OE1 GLU A 27 5.103 -3.052 2.128 1.00 0.00 O ATOM 374 OE2 GLU A 27 5.037 -2.324 4.200 1.00 0.00 O ATOM 0 H GLU A 27 6.402 1.448 0.236 1.00 0.00 H new ATOM 0 HA GLU A 27 5.714 -1.229 0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.302 1.029 1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.047 -0.190 2.017 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.896 -1.121 1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.307 -0.331 3.442 1.00 0.00 H new ATOM 381 N ARG A 28 3.204 0.806 -0.624 1.00 0.00 N ATOM 382 CA ARG A 28 1.875 0.870 -1.220 1.00 0.00 C ATOM 383 C ARG A 28 1.820 0.062 -2.512 1.00 0.00 C ATOM 384 O ARG A 28 0.946 -0.787 -2.690 1.00 0.00 O ATOM 385 CB ARG A 28 1.488 2.324 -1.497 1.00 0.00 C ATOM 386 CG ARG A 28 1.343 3.167 -0.239 1.00 0.00 C ATOM 387 CD ARG A 28 0.997 4.609 -0.572 1.00 0.00 C ATOM 388 NE ARG A 28 1.974 5.546 -0.027 1.00 0.00 N ATOM 389 CZ ARG A 28 2.096 6.803 -0.438 1.00 0.00 C ATOM 390 NH1 ARG A 28 1.305 7.271 -1.393 1.00 0.00 N ATOM 391 NH2 ARG A 28 3.010 7.596 0.107 1.00 0.00 N ATOM 0 H ARG A 28 3.602 1.714 -0.384 1.00 0.00 H new ATOM 0 HA ARG A 28 1.165 0.440 -0.513 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.242 2.775 -2.142 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.547 2.342 -2.047 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.566 2.743 0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.272 3.137 0.330 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.945 4.729 -1.654 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.009 4.845 -0.177 1.00 0.00 H new ATOM 0 HE ARG A 28 2.598 5.217 0.710 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.601 6.665 -1.814 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.401 8.237 -1.707 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.620 7.240 0.843 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.102 8.561 -0.210 1.00 0.00 H new ATOM 405 N THR A 29 2.758 0.334 -3.415 1.00 0.00 N ATOM 406 CA THR A 29 2.815 -0.366 -4.693 1.00 0.00 C ATOM 407 C THR A 29 3.142 -1.842 -4.496 1.00 0.00 C ATOM 408 O THR A 29 2.860 -2.671 -5.364 1.00 0.00 O ATOM 409 CB THR A 29 3.865 0.261 -5.630 1.00 0.00 C ATOM 410 OG1 THR A 29 3.354 1.472 -6.196 1.00 0.00 O ATOM 411 CG2 THR A 29 4.242 -0.705 -6.743 1.00 0.00 C ATOM 0 H THR A 29 3.488 1.034 -3.285 1.00 0.00 H new ATOM 0 HA THR A 29 1.830 -0.273 -5.150 1.00 0.00 H new ATOM 0 HB THR A 29 4.757 0.482 -5.044 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.028 1.866 -6.789 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.985 -0.241 -7.392 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.657 -1.615 -6.310 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.355 -0.953 -7.326 1.00 0.00 H new ATOM 419 N LEU A 30 3.736 -2.165 -3.354 1.00 0.00 N ATOM 420 CA LEU A 30 4.100 -3.543 -3.044 1.00 0.00 C ATOM 421 C LEU A 30 2.916 -4.299 -2.449 1.00 0.00 C ATOM 422 O LEU A 30 2.861 -5.528 -2.502 1.00 0.00 O ATOM 423 CB LEU A 30 5.279 -3.573 -2.069 1.00 0.00 C ATOM 424 CG LEU A 30 6.601 -3.016 -2.598 1.00 0.00 C ATOM 425 CD1 LEU A 30 7.607 -2.861 -1.467 1.00 0.00 C ATOM 426 CD2 LEU A 30 7.160 -3.915 -3.691 1.00 0.00 C ATOM 0 H LEU A 30 3.976 -1.492 -2.626 1.00 0.00 H new ATOM 0 HA LEU A 30 4.391 -4.033 -3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.002 -3.011 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.441 -4.605 -1.758 1.00 0.00 H new ATOM 0 HG LEU A 30 6.412 -2.032 -3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.541 -2.463 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.210 -2.176 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.792 -3.833 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.101 -3.503 -4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.333 -4.913 -3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.447 -3.974 -4.513 1.00 0.00 H new ATOM 438 N LEU A 31 1.969 -3.557 -1.887 1.00 0.00 N ATOM 439 CA LEU A 31 0.783 -4.157 -1.285 1.00 0.00 C ATOM 440 C LEU A 31 0.089 -5.094 -2.268 1.00 0.00 C ATOM 441 O LEU A 31 -0.447 -6.132 -1.879 1.00 0.00 O ATOM 442 CB LEU A 31 -0.189 -3.067 -0.830 1.00 0.00 C ATOM 443 CG LEU A 31 0.298 -2.164 0.305 1.00 0.00 C ATOM 444 CD1 LEU A 31 -0.688 -1.031 0.546 1.00 0.00 C ATOM 445 CD2 LEU A 31 0.505 -2.975 1.577 1.00 0.00 C ATOM 0 H LEU A 31 1.999 -2.539 -1.835 1.00 0.00 H new ATOM 0 HA LEU A 31 1.100 -4.738 -0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.428 -2.440 -1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.117 -3.544 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 31 1.254 -1.729 0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.325 -0.399 1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.787 -0.436 -0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.659 -1.445 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.851 -2.318 2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.437 -3.437 1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.249 -3.751 1.397 1.00 0.00 H new ATOM 457 N LYS A 32 0.105 -4.724 -3.543 1.00 0.00 N ATOM 458 CA LYS A 32 -0.519 -5.534 -4.583 1.00 0.00 C ATOM 459 C LYS A 32 0.190 -6.876 -4.728 1.00 0.00 C ATOM 460 O LYS A 32 -0.444 -7.899 -4.978 1.00 0.00 O ATOM 461 CB LYS A 32 -0.498 -4.787 -5.920 1.00 0.00 C ATOM 462 CG LYS A 32 -0.900 -3.327 -5.807 1.00 0.00 C ATOM 463 CD LYS A 32 -1.874 -2.930 -6.904 1.00 0.00 C ATOM 464 CE LYS A 32 -2.414 -1.524 -6.689 1.00 0.00 C ATOM 465 NZ LYS A 32 -2.159 -0.646 -7.865 1.00 0.00 N ATOM 0 H LYS A 32 0.544 -3.868 -3.882 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.553 -5.720 -4.292 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.504 -4.847 -6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.170 -5.287 -6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.355 -3.148 -4.833 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.011 -2.699 -5.863 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.376 -2.985 -7.872 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.702 -3.639 -6.931 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.486 -1.572 -6.497 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.951 -1.089 -5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.542 0.303 -7.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.135 -0.579 -8.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.622 -1.048 -8.705 1.00 0.00 H new ATOM 479 N GLU A 33 1.510 -6.863 -4.567 1.00 0.00 N ATOM 480 CA GLU A 33 2.304 -8.080 -4.679 1.00 0.00 C ATOM 481 C GLU A 33 1.963 -9.059 -3.558 1.00 0.00 C ATOM 482 O GLU A 33 2.367 -10.221 -3.589 1.00 0.00 O ATOM 483 CB GLU A 33 3.797 -7.748 -4.642 1.00 0.00 C ATOM 484 CG GLU A 33 4.213 -6.705 -5.666 1.00 0.00 C ATOM 485 CD GLU A 33 5.670 -6.835 -6.071 1.00 0.00 C ATOM 486 OE1 GLU A 33 6.548 -6.548 -5.232 1.00 0.00 O ATOM 487 OE2 GLU A 33 5.930 -7.224 -7.229 1.00 0.00 O ATOM 0 H GLU A 33 2.051 -6.024 -4.359 1.00 0.00 H new ATOM 0 HA GLU A 33 2.067 -8.550 -5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.057 -7.391 -3.646 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.368 -8.661 -4.812 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.584 -6.799 -6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.041 -5.710 -5.256 1.00 0.00 H new ATOM 494 N ASP A 34 1.217 -8.578 -2.569 1.00 0.00 N ATOM 495 CA ASP A 34 0.819 -9.409 -1.438 1.00 0.00 C ATOM 496 C ASP A 34 -0.569 -10.001 -1.660 1.00 0.00 C ATOM 497 O ASP A 34 -1.461 -9.363 -2.219 1.00 0.00 O ATOM 498 CB ASP A 34 0.837 -8.591 -0.146 1.00 0.00 C ATOM 499 CG ASP A 34 1.330 -9.394 1.041 1.00 0.00 C ATOM 500 OD1 ASP A 34 2.560 -9.567 1.171 1.00 0.00 O ATOM 501 OD2 ASP A 34 0.486 -9.851 1.841 1.00 0.00 O ATOM 0 H ASP A 34 0.876 -7.618 -2.528 1.00 0.00 H new ATOM 0 HA ASP A 34 1.534 -10.227 -1.351 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.476 -7.718 -0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.168 -8.222 0.061 1.00 0.00 H new ATOM 506 N PRO A 35 -0.757 -11.253 -1.214 1.00 0.00 N ATOM 507 CA PRO A 35 -2.033 -11.959 -1.353 1.00 0.00 C ATOM 508 C PRO A 35 -3.120 -11.373 -0.461 1.00 0.00 C ATOM 509 O PRO A 35 -4.299 -11.378 -0.815 1.00 0.00 O ATOM 510 CB PRO A 35 -1.696 -13.388 -0.918 1.00 0.00 C ATOM 511 CG PRO A 35 -0.523 -13.242 -0.013 1.00 0.00 C ATOM 512 CD PRO A 35 0.263 -12.073 -0.539 1.00 0.00 C ATOM 0 HA PRO A 35 -2.430 -11.889 -2.366 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.537 -13.854 -0.404 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.458 -14.017 -1.776 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.842 -13.067 1.014 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.082 -14.149 -0.009 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.753 -11.524 0.265 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.044 -12.392 -1.229 1.00 0.00 H new ATOM 520 N ALA A 36 -2.718 -10.866 0.700 1.00 0.00 N ATOM 521 CA ALA A 36 -3.658 -10.273 1.643 1.00 0.00 C ATOM 522 C ALA A 36 -4.429 -9.125 1.001 1.00 0.00 C ATOM 523 O ALA A 36 -5.554 -8.819 1.400 1.00 0.00 O ATOM 524 CB ALA A 36 -2.926 -9.790 2.886 1.00 0.00 C ATOM 0 H ALA A 36 -1.746 -10.854 1.010 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.376 -11.040 1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.641 -9.350 3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.426 -10.632 3.364 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.185 -9.041 2.604 1.00 0.00 H new ATOM 530 N TYR A 37 -3.818 -8.493 0.006 1.00 0.00 N ATOM 531 CA TYR A 37 -4.446 -7.375 -0.690 1.00 0.00 C ATOM 532 C TYR A 37 -4.719 -7.727 -2.149 1.00 0.00 C ATOM 533 O TYR A 37 -4.316 -7.002 -3.059 1.00 0.00 O ATOM 534 CB TYR A 37 -3.557 -6.133 -0.610 1.00 0.00 C ATOM 535 CG TYR A 37 -3.092 -5.810 0.792 1.00 0.00 C ATOM 536 CD1 TYR A 37 -3.980 -5.333 1.748 1.00 0.00 C ATOM 537 CD2 TYR A 37 -1.763 -5.985 1.160 1.00 0.00 C ATOM 538 CE1 TYR A 37 -3.559 -5.037 3.029 1.00 0.00 C ATOM 539 CE2 TYR A 37 -1.334 -5.692 2.441 1.00 0.00 C ATOM 540 CZ TYR A 37 -2.235 -5.218 3.371 1.00 0.00 C ATOM 541 OH TYR A 37 -1.811 -4.925 4.647 1.00 0.00 O ATOM 0 H TYR A 37 -2.889 -8.735 -0.337 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.397 -7.164 -0.202 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.685 -6.279 -1.248 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.104 -5.279 -1.008 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.018 -5.191 1.484 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.055 -6.356 0.434 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.263 -4.666 3.759 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.298 -5.834 2.712 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.851 -5.109 4.723 1.00 0.00 H new ATOM 551 N TRP A 38 -5.407 -8.842 -2.363 1.00 0.00 N ATOM 552 CA TRP A 38 -5.735 -9.290 -3.713 1.00 0.00 C ATOM 553 C TRP A 38 -6.900 -8.489 -4.284 1.00 0.00 C ATOM 554 O TRP A 38 -7.018 -8.328 -5.498 1.00 0.00 O ATOM 555 CB TRP A 38 -6.079 -10.781 -3.707 1.00 0.00 C ATOM 556 CG TRP A 38 -7.279 -11.110 -2.872 1.00 0.00 C ATOM 557 CD1 TRP A 38 -7.284 -11.689 -1.634 1.00 0.00 C ATOM 558 CD2 TRP A 38 -8.651 -10.883 -3.215 1.00 0.00 C ATOM 559 NE1 TRP A 38 -8.574 -11.834 -1.188 1.00 0.00 N ATOM 560 CE2 TRP A 38 -9.431 -11.346 -2.138 1.00 0.00 C ATOM 561 CE3 TRP A 38 -9.295 -10.330 -4.325 1.00 0.00 C ATOM 562 CZ2 TRP A 38 -10.822 -11.275 -2.143 1.00 0.00 C ATOM 563 CZ3 TRP A 38 -10.675 -10.260 -4.328 1.00 0.00 C ATOM 564 CH2 TRP A 38 -11.427 -10.728 -3.242 1.00 0.00 C ATOM 0 H TRP A 38 -5.749 -9.453 -1.621 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.862 -9.128 -4.346 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.257 -11.110 -4.731 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.222 -11.343 -3.336 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.402 -11.989 -1.087 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.850 -12.240 -0.294 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.724 -9.964 -5.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.403 -11.639 -1.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -11.183 -9.837 -5.182 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.504 -10.656 -3.273 1.00 0.00 H new ATOM 575 N PHE A 39 -7.758 -7.989 -3.401 1.00 0.00 N ATOM 576 CA PHE A 39 -8.914 -7.204 -3.819 1.00 0.00 C ATOM 577 C PHE A 39 -8.478 -5.963 -4.593 1.00 0.00 C ATOM 578 O PHE A 39 -9.187 -5.493 -5.484 1.00 0.00 O ATOM 579 CB PHE A 39 -9.745 -6.795 -2.602 1.00 0.00 C ATOM 580 CG PHE A 39 -8.959 -6.046 -1.564 1.00 0.00 C ATOM 581 CD1 PHE A 39 -8.744 -4.683 -1.686 1.00 0.00 C ATOM 582 CD2 PHE A 39 -8.436 -6.706 -0.463 1.00 0.00 C ATOM 583 CE1 PHE A 39 -8.020 -3.992 -0.733 1.00 0.00 C ATOM 584 CE2 PHE A 39 -7.711 -6.021 0.494 1.00 0.00 C ATOM 585 CZ PHE A 39 -7.504 -4.662 0.359 1.00 0.00 C ATOM 0 H PHE A 39 -7.675 -8.113 -2.392 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.525 -7.823 -4.476 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.578 -6.175 -2.933 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.173 -7.688 -2.147 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.147 -4.154 -2.537 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.597 -7.768 -0.352 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.858 -2.930 -0.842 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.307 -6.548 1.346 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.939 -4.124 1.106 1.00 0.00 H new ATOM 595 N LEU A 40 -7.309 -5.438 -4.246 1.00 0.00 N ATOM 596 CA LEU A 40 -6.777 -4.251 -4.907 1.00 0.00 C ATOM 597 C LEU A 40 -7.084 -4.276 -6.401 1.00 0.00 C ATOM 598 O LEU A 40 -7.547 -3.286 -6.967 1.00 0.00 O ATOM 599 CB LEU A 40 -5.267 -4.153 -4.687 1.00 0.00 C ATOM 600 CG LEU A 40 -4.816 -3.852 -3.258 1.00 0.00 C ATOM 601 CD1 LEU A 40 -3.297 -3.785 -3.180 1.00 0.00 C ATOM 602 CD2 LEU A 40 -5.434 -2.551 -2.766 1.00 0.00 C ATOM 0 H LEU A 40 -6.711 -5.815 -3.511 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.259 -3.376 -4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.813 -5.093 -5.000 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.874 -3.376 -5.342 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.158 -4.661 -2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.994 -3.570 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.874 -4.741 -3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.933 -2.996 -3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.102 -2.353 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.123 -1.732 -3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.521 -2.635 -2.783 1.00 0.00 H new ATOM 614 N SER A 41 -6.825 -5.416 -7.034 1.00 0.00 N ATOM 615 CA SER A 41 -7.072 -5.570 -8.463 1.00 0.00 C ATOM 616 C SER A 41 -8.569 -5.645 -8.750 1.00 0.00 C ATOM 617 O SER A 41 -9.051 -5.093 -9.739 1.00 0.00 O ATOM 618 CB SER A 41 -6.377 -6.827 -8.989 1.00 0.00 C ATOM 619 OG SER A 41 -5.517 -6.518 -10.073 1.00 0.00 O ATOM 0 H SER A 41 -6.444 -6.246 -6.580 1.00 0.00 H new ATOM 0 HA SER A 41 -6.665 -4.697 -8.974 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.804 -7.292 -8.187 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.125 -7.553 -9.309 1.00 0.00 H new ATOM 0 HG SER A 41 -5.083 -7.337 -10.390 1.00 0.00 H new ATOM 625 N ASP A 42 -9.298 -6.334 -7.879 1.00 0.00 N ATOM 626 CA ASP A 42 -10.740 -6.481 -8.037 1.00 0.00 C ATOM 627 C ASP A 42 -11.464 -5.199 -7.641 1.00 0.00 C ATOM 628 O ASP A 42 -10.982 -4.437 -6.804 1.00 0.00 O ATOM 629 CB ASP A 42 -11.250 -7.651 -7.194 1.00 0.00 C ATOM 630 CG ASP A 42 -12.335 -8.442 -7.897 1.00 0.00 C ATOM 631 OD1 ASP A 42 -13.287 -7.816 -8.410 1.00 0.00 O ATOM 632 OD2 ASP A 42 -12.235 -9.686 -7.934 1.00 0.00 O ATOM 0 H ASP A 42 -8.914 -6.799 -7.057 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.947 -6.683 -9.088 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.418 -8.314 -6.956 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.636 -7.272 -6.248 1.00 0.00 H new ATOM 637 N GLU A 43 -12.624 -4.967 -8.250 1.00 0.00 N ATOM 638 CA GLU A 43 -13.413 -3.775 -7.960 1.00 0.00 C ATOM 639 C GLU A 43 -14.840 -4.149 -7.571 1.00 0.00 C ATOM 640 O GLU A 43 -15.467 -3.476 -6.754 1.00 0.00 O ATOM 641 CB GLU A 43 -13.431 -2.842 -9.174 1.00 0.00 C ATOM 642 CG GLU A 43 -12.191 -1.972 -9.291 1.00 0.00 C ATOM 643 CD GLU A 43 -12.523 -0.502 -9.453 1.00 0.00 C ATOM 644 OE1 GLU A 43 -13.569 -0.068 -8.927 1.00 0.00 O ATOM 645 OE2 GLU A 43 -11.736 0.215 -10.107 1.00 0.00 O ATOM 0 H GLU A 43 -13.037 -5.588 -8.946 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.950 -3.258 -7.120 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.532 -3.440 -10.080 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.310 -2.201 -9.116 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.573 -2.105 -8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.599 -2.303 -10.144 1.00 0.00 H new ATOM 652 N ASN A 44 -15.346 -5.226 -8.162 1.00 0.00 N ATOM 653 CA ASN A 44 -16.700 -5.690 -7.879 1.00 0.00 C ATOM 654 C ASN A 44 -16.727 -6.550 -6.618 1.00 0.00 C ATOM 655 O ASN A 44 -17.480 -7.520 -6.533 1.00 0.00 O ATOM 656 CB ASN A 44 -17.247 -6.486 -9.064 1.00 0.00 C ATOM 657 CG ASN A 44 -18.288 -5.710 -9.850 1.00 0.00 C ATOM 658 OD1 ASN A 44 -18.418 -4.496 -9.698 1.00 0.00 O ATOM 659 ND2 ASN A 44 -19.036 -6.412 -10.694 1.00 0.00 N ATOM 0 H ASN A 44 -14.839 -5.794 -8.840 1.00 0.00 H new ATOM 0 HA ASN A 44 -17.330 -4.816 -7.716 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -16.425 -6.759 -9.726 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -17.687 -7.415 -8.702 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -19.754 -5.945 -11.249 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -18.893 -7.418 -10.787 1.00 0.00 H new ATOM 666 N SER A 45 -15.902 -6.186 -5.642 1.00 0.00 N ATOM 667 CA SER A 45 -15.829 -6.925 -4.387 1.00 0.00 C ATOM 668 C SER A 45 -16.117 -6.012 -3.201 1.00 0.00 C ATOM 669 O SER A 45 -16.486 -4.849 -3.373 1.00 0.00 O ATOM 670 CB SER A 45 -14.448 -7.566 -4.228 1.00 0.00 C ATOM 671 OG SER A 45 -13.441 -6.580 -4.086 1.00 0.00 O ATOM 0 H SER A 45 -15.275 -5.384 -5.696 1.00 0.00 H new ATOM 0 HA SER A 45 -16.586 -7.709 -4.411 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.446 -8.221 -3.356 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.231 -8.189 -5.095 1.00 0.00 H new ATOM 0 HG SER A 45 -12.569 -7.015 -3.984 1.00 0.00 H new ATOM 677 N LEU A 46 -15.947 -6.546 -1.996 1.00 0.00 N ATOM 678 CA LEU A 46 -16.188 -5.779 -0.779 1.00 0.00 C ATOM 679 C LEU A 46 -14.881 -5.244 -0.203 1.00 0.00 C ATOM 680 O LEU A 46 -14.778 -4.066 0.136 1.00 0.00 O ATOM 681 CB LEU A 46 -16.898 -6.646 0.261 1.00 0.00 C ATOM 682 CG LEU A 46 -16.588 -6.330 1.725 1.00 0.00 C ATOM 683 CD1 LEU A 46 -15.242 -6.913 2.124 1.00 0.00 C ATOM 684 CD2 LEU A 46 -16.613 -4.827 1.962 1.00 0.00 C ATOM 0 H LEU A 46 -15.643 -7.507 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 46 -16.825 -4.932 -1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -17.973 -6.552 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -16.640 -7.688 0.073 1.00 0.00 H new ATOM 0 HG LEU A 46 -17.357 -6.789 2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -15.039 -6.678 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -15.261 -7.995 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.460 -6.485 1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -16.390 -4.620 3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -15.866 -4.347 1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -17.601 -4.436 1.717 1.00 0.00 H new ATOM 696 N GLU A 47 -13.884 -6.118 -0.100 1.00 0.00 N ATOM 697 CA GLU A 47 -12.583 -5.731 0.433 1.00 0.00 C ATOM 698 C GLU A 47 -12.015 -4.539 -0.331 1.00 0.00 C ATOM 699 O GLU A 47 -11.282 -3.722 0.228 1.00 0.00 O ATOM 700 CB GLU A 47 -11.608 -6.909 0.361 1.00 0.00 C ATOM 701 CG GLU A 47 -12.121 -8.167 1.040 1.00 0.00 C ATOM 702 CD GLU A 47 -11.030 -9.195 1.265 1.00 0.00 C ATOM 703 OE1 GLU A 47 -10.041 -9.190 0.502 1.00 0.00 O ATOM 704 OE2 GLU A 47 -11.164 -10.004 2.207 1.00 0.00 O ATOM 0 H GLU A 47 -13.952 -7.097 -0.378 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.717 -5.442 1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.397 -7.131 -0.685 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.664 -6.617 0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.568 -7.902 1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.910 -8.608 0.431 1.00 0.00 H new ATOM 711 N TYR A 48 -12.358 -4.446 -1.610 1.00 0.00 N ATOM 712 CA TYR A 48 -11.880 -3.355 -2.452 1.00 0.00 C ATOM 713 C TYR A 48 -12.735 -2.106 -2.263 1.00 0.00 C ATOM 714 O TYR A 48 -12.279 -0.986 -2.494 1.00 0.00 O ATOM 715 CB TYR A 48 -11.891 -3.775 -3.923 1.00 0.00 C ATOM 716 CG TYR A 48 -11.469 -2.675 -4.871 1.00 0.00 C ATOM 717 CD1 TYR A 48 -12.398 -1.775 -5.377 1.00 0.00 C ATOM 718 CD2 TYR A 48 -10.142 -2.536 -5.259 1.00 0.00 C ATOM 719 CE1 TYR A 48 -12.017 -0.768 -6.244 1.00 0.00 C ATOM 720 CE2 TYR A 48 -9.753 -1.532 -6.124 1.00 0.00 C ATOM 721 CZ TYR A 48 -10.693 -0.651 -6.615 1.00 0.00 C ATOM 722 OH TYR A 48 -10.310 0.351 -7.476 1.00 0.00 O ATOM 0 H TYR A 48 -12.965 -5.112 -2.087 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.857 -3.122 -2.155 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.227 -4.629 -4.053 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.894 -4.108 -4.190 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.435 -1.863 -5.088 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.402 -3.225 -4.878 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.752 -0.076 -6.629 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.717 -1.437 -6.414 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.345 0.295 -7.635 1.00 0.00 H new ATOM 732 N LYS A 49 -13.978 -2.306 -1.840 1.00 0.00 N ATOM 733 CA LYS A 49 -14.899 -1.199 -1.616 1.00 0.00 C ATOM 734 C LYS A 49 -14.414 -0.309 -0.476 1.00 0.00 C ATOM 735 O LYS A 49 -14.706 0.886 -0.441 1.00 0.00 O ATOM 736 CB LYS A 49 -16.300 -1.728 -1.303 1.00 0.00 C ATOM 737 CG LYS A 49 -17.311 -1.466 -2.406 1.00 0.00 C ATOM 738 CD LYS A 49 -18.300 -2.611 -2.540 1.00 0.00 C ATOM 739 CE LYS A 49 -18.538 -2.973 -3.999 1.00 0.00 C ATOM 740 NZ LYS A 49 -19.682 -2.216 -4.578 1.00 0.00 N ATOM 0 H LYS A 49 -14.371 -3.227 -1.645 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.938 -0.603 -2.528 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.242 -2.801 -1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.655 -1.269 -0.380 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.849 -0.542 -2.195 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.789 -1.322 -3.352 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.924 -3.483 -2.004 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.245 -2.333 -2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.637 -2.767 -4.576 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.731 -4.043 -4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.812 -2.490 -5.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.547 -2.432 -4.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.487 -1.196 -4.523 1.00 0.00 H new ATOM 754 N TYR A 50 -13.671 -0.899 0.454 1.00 0.00 N ATOM 755 CA TYR A 50 -13.146 -0.161 1.596 1.00 0.00 C ATOM 756 C TYR A 50 -11.907 0.638 1.204 1.00 0.00 C ATOM 757 O TYR A 50 -11.871 1.861 1.345 1.00 0.00 O ATOM 758 CB TYR A 50 -12.809 -1.119 2.738 1.00 0.00 C ATOM 759 CG TYR A 50 -14.019 -1.587 3.513 1.00 0.00 C ATOM 760 CD1 TYR A 50 -15.195 -1.935 2.860 1.00 0.00 C ATOM 761 CD2 TYR A 50 -13.988 -1.681 4.899 1.00 0.00 C ATOM 762 CE1 TYR A 50 -16.305 -2.363 3.564 1.00 0.00 C ATOM 763 CE2 TYR A 50 -15.092 -2.109 5.611 1.00 0.00 C ATOM 764 CZ TYR A 50 -16.247 -2.448 4.939 1.00 0.00 C ATOM 765 OH TYR A 50 -17.350 -2.873 5.646 1.00 0.00 O ATOM 0 H TYR A 50 -13.419 -1.887 0.439 1.00 0.00 H new ATOM 0 HA TYR A 50 -13.915 0.535 1.931 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -12.290 -1.987 2.331 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -12.118 -0.626 3.422 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -15.243 -1.870 1.783 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -13.085 -1.415 5.429 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -17.211 -2.629 3.041 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -15.050 -2.178 6.688 1.00 0.00 H new ATOM 0 HH TYR A 50 -17.143 -2.877 6.604 1.00 0.00 H new ATOM 775 N TYR A 51 -10.891 -0.063 0.710 1.00 0.00 N ATOM 776 CA TYR A 51 -9.648 0.579 0.299 1.00 0.00 C ATOM 777 C TYR A 51 -9.929 1.847 -0.503 1.00 0.00 C ATOM 778 O TYR A 51 -9.184 2.824 -0.423 1.00 0.00 O ATOM 779 CB TYR A 51 -8.801 -0.386 -0.532 1.00 0.00 C ATOM 780 CG TYR A 51 -7.551 0.244 -1.103 1.00 0.00 C ATOM 781 CD1 TYR A 51 -6.454 0.512 -0.295 1.00 0.00 C ATOM 782 CD2 TYR A 51 -7.468 0.570 -2.452 1.00 0.00 C ATOM 783 CE1 TYR A 51 -5.309 1.087 -0.812 1.00 0.00 C ATOM 784 CE2 TYR A 51 -6.327 1.144 -2.978 1.00 0.00 C ATOM 785 CZ TYR A 51 -5.250 1.401 -2.154 1.00 0.00 C ATOM 786 OH TYR A 51 -4.113 1.974 -2.675 1.00 0.00 O ATOM 0 H TYR A 51 -10.904 -1.075 0.585 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.096 0.854 1.198 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.518 -1.236 0.089 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -9.407 -0.777 -1.350 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.497 0.267 0.756 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.309 0.371 -3.099 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.465 1.289 -0.169 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.278 1.390 -4.028 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.236 2.131 -3.635 1.00 0.00 H new ATOM 796 N LYS A 52 -11.010 1.823 -1.275 1.00 0.00 N ATOM 797 CA LYS A 52 -11.393 2.969 -2.091 1.00 0.00 C ATOM 798 C LYS A 52 -12.313 3.906 -1.316 1.00 0.00 C ATOM 799 O LYS A 52 -12.289 5.122 -1.515 1.00 0.00 O ATOM 800 CB LYS A 52 -12.087 2.500 -3.371 1.00 0.00 C ATOM 801 CG LYS A 52 -11.130 1.970 -4.425 1.00 0.00 C ATOM 802 CD LYS A 52 -10.327 3.092 -5.063 1.00 0.00 C ATOM 803 CE LYS A 52 -11.092 3.747 -6.202 1.00 0.00 C ATOM 804 NZ LYS A 52 -11.888 4.916 -5.736 1.00 0.00 N ATOM 0 H LYS A 52 -11.637 1.022 -1.353 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.487 3.514 -2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.805 1.719 -3.119 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.654 3.331 -3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.451 1.248 -3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.692 1.440 -5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.083 3.841 -4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.382 2.697 -5.437 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.391 4.069 -6.972 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.756 3.015 -6.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.899 4.737 -5.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.726 5.063 -4.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.596 5.766 -6.260 1.00 0.00 H new ATOM 818 N LEU A 53 -13.120 3.336 -0.429 1.00 0.00 N ATOM 819 CA LEU A 53 -14.046 4.121 0.379 1.00 0.00 C ATOM 820 C LEU A 53 -13.328 4.768 1.558 1.00 0.00 C ATOM 821 O LEU A 53 -13.189 5.990 1.620 1.00 0.00 O ATOM 822 CB LEU A 53 -15.188 3.236 0.885 1.00 0.00 C ATOM 823 CG LEU A 53 -16.035 3.818 2.018 1.00 0.00 C ATOM 824 CD1 LEU A 53 -15.507 3.361 3.369 1.00 0.00 C ATOM 825 CD2 LEU A 53 -16.060 5.337 1.939 1.00 0.00 C ATOM 0 H LEU A 53 -13.152 2.332 -0.251 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.457 4.911 -0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.846 3.010 0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.766 2.290 1.223 1.00 0.00 H new ATOM 0 HG LEU A 53 -17.056 3.452 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -16.122 3.785 4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -15.543 2.273 3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -14.477 3.697 3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.667 5.734 2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.044 5.722 2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.487 5.645 0.984 1.00 0.00 H new ATOM 837 N LYS A 54 -12.870 3.940 2.492 1.00 0.00 N ATOM 838 CA LYS A 54 -12.162 4.430 3.669 1.00 0.00 C ATOM 839 C LYS A 54 -11.083 5.434 3.275 1.00 0.00 C ATOM 840 O LYS A 54 -10.761 6.346 4.038 1.00 0.00 O ATOM 841 CB LYS A 54 -11.533 3.264 4.433 1.00 0.00 C ATOM 842 CG LYS A 54 -11.543 3.449 5.941 1.00 0.00 C ATOM 843 CD LYS A 54 -12.871 3.025 6.546 1.00 0.00 C ATOM 844 CE LYS A 54 -12.925 3.324 8.036 1.00 0.00 C ATOM 845 NZ LYS A 54 -13.949 2.497 8.732 1.00 0.00 N ATOM 0 H LYS A 54 -12.977 2.926 2.456 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.883 4.932 4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.067 2.347 4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.504 3.134 4.098 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.737 2.865 6.385 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.350 4.494 6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.685 3.544 6.040 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.023 1.958 6.382 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.946 3.139 8.479 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.148 4.380 8.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.954 2.731 9.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.887 2.692 8.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.722 1.489 8.611 1.00 0.00 H new ATOM 859 N LEU A 55 -10.529 5.262 2.080 1.00 0.00 N ATOM 860 CA LEU A 55 -9.486 6.155 1.584 1.00 0.00 C ATOM 861 C LEU A 55 -10.077 7.488 1.141 1.00 0.00 C ATOM 862 O LEU A 55 -9.562 8.552 1.485 1.00 0.00 O ATOM 863 CB LEU A 55 -8.741 5.502 0.420 1.00 0.00 C ATOM 864 CG LEU A 55 -7.565 6.294 -0.153 1.00 0.00 C ATOM 865 CD1 LEU A 55 -6.468 6.451 0.889 1.00 0.00 C ATOM 866 CD2 LEU A 55 -7.022 5.616 -1.403 1.00 0.00 C ATOM 0 H LEU A 55 -10.784 4.513 1.436 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.784 6.342 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.373 4.531 0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.454 5.317 -0.383 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.921 7.287 -0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.640 7.017 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.862 6.982 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.115 5.467 1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.186 6.194 -1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.683 4.611 -1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.808 5.557 -2.156 1.00 0.00 H new ATOM 878 N ALA A 56 -11.164 7.424 0.377 1.00 0.00 N ATOM 879 CA ALA A 56 -11.828 8.627 -0.109 1.00 0.00 C ATOM 880 C ALA A 56 -12.280 9.511 1.049 1.00 0.00 C ATOM 881 O ALA A 56 -12.114 10.729 1.012 1.00 0.00 O ATOM 882 CB ALA A 56 -13.014 8.256 -0.987 1.00 0.00 C ATOM 0 H ALA A 56 -11.603 6.552 0.082 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.112 9.193 -0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.501 9.164 -1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.667 7.672 -1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.725 7.666 -0.408 1.00 0.00 H new ATOM 888 N GLU A 57 -12.852 8.888 2.074 1.00 0.00 N ATOM 889 CA GLU A 57 -13.329 9.621 3.242 1.00 0.00 C ATOM 890 C GLU A 57 -12.162 10.075 4.113 1.00 0.00 C ATOM 891 O GLU A 57 -12.145 11.203 4.607 1.00 0.00 O ATOM 892 CB GLU A 57 -14.284 8.750 4.062 1.00 0.00 C ATOM 893 CG GLU A 57 -13.595 7.600 4.777 1.00 0.00 C ATOM 894 CD GLU A 57 -14.563 6.746 5.573 1.00 0.00 C ATOM 895 OE1 GLU A 57 -15.768 6.753 5.247 1.00 0.00 O ATOM 896 OE2 GLU A 57 -14.114 6.069 6.522 1.00 0.00 O ATOM 0 H GLU A 57 -12.997 7.879 2.120 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.863 10.504 2.892 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.790 9.374 4.799 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.053 8.348 3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.083 6.976 4.045 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.832 7.998 5.446 1.00 0.00 H new ATOM 903 N MET A 58 -11.188 9.190 4.296 1.00 0.00 N ATOM 904 CA MET A 58 -10.016 9.501 5.108 1.00 0.00 C ATOM 905 C MET A 58 -9.157 10.568 4.435 1.00 0.00 C ATOM 906 O MET A 58 -8.374 11.251 5.094 1.00 0.00 O ATOM 907 CB MET A 58 -9.186 8.239 5.348 1.00 0.00 C ATOM 908 CG MET A 58 -9.844 7.251 6.298 1.00 0.00 C ATOM 909 SD MET A 58 -9.561 7.662 8.031 1.00 0.00 S ATOM 910 CE MET A 58 -7.831 7.236 8.202 1.00 0.00 C ATOM 0 H MET A 58 -11.186 8.253 3.894 1.00 0.00 H new ATOM 0 HA MET A 58 -10.361 9.888 6.067 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.004 7.746 4.393 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.214 8.524 5.750 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.916 7.226 6.105 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.461 6.250 6.098 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.730 6.392 8.884 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.425 6.965 7.227 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.283 8.091 8.599 1.00 0.00 H new ATOM 920 N GLN A 59 -9.311 10.704 3.123 1.00 0.00 N ATOM 921 CA GLN A 59 -8.548 11.688 2.364 1.00 0.00 C ATOM 922 C GLN A 59 -9.218 13.056 2.415 1.00 0.00 C ATOM 923 O GLN A 59 -8.580 14.060 2.732 1.00 0.00 O ATOM 924 CB GLN A 59 -8.397 11.235 0.909 1.00 0.00 C ATOM 925 CG GLN A 59 -7.216 10.306 0.680 1.00 0.00 C ATOM 926 CD GLN A 59 -6.521 10.561 -0.642 1.00 0.00 C ATOM 927 OE1 GLN A 59 -5.733 11.498 -0.772 1.00 0.00 O ATOM 928 NE2 GLN A 59 -6.808 9.725 -1.633 1.00 0.00 N ATOM 0 H GLN A 59 -9.956 10.146 2.563 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.560 11.771 2.817 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.311 10.730 0.598 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.286 12.114 0.273 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.500 10.428 1.492 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.560 9.272 0.712 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.467 8.962 -1.481 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.369 9.846 -2.546 1.00 0.00 H new