USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 497 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 5 ASN : amide:sc= -1.26! C(o=-1.3!,f=-5!) USER MOD Single : A 7 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0608) USER MOD Single : A 12 LYS NZ :NH3+ -108:sc= 0.421 (180deg=-2.84!) USER MOD Single : A 13 LYS NZ :NH3+ -144:sc= 0.355 (180deg=-0.958!) USER MOD Single : A 14 LYS NZ :NH3+ 155:sc= -0.0511 (180deg=-0.358) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.03! K(o=-1!,f=0) USER MOD Single : A 18 SER OG : rot -92:sc= 0.195 USER MOD Single : A 27 SER OG : rot 180:sc=0.000119 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00913 USER MOD Single : A 32 ASN : amide:sc= -2.63! C(o=-2.6!,f=-2.5!) USER MOD Single : A 36 LYS NZ :NH3+ -164:sc= -0.0818 (180deg=-0.604) USER MOD Single : A 37 ASN : amide:sc= -1.01 K(o=-1,f=-2.1!) USER MOD Single : A 38 LYS NZ :NH3+ 144:sc= 0.629 (180deg=-1.64!) USER MOD Single : A 39 TYR OH : rot 71:sc= 0.507 USER MOD Single : A 40 ASN : amide:sc= -0.477 K(o=-0.48,f=-1) USER MOD Single : A 42 SER OG : rot 180:sc= 0.00628 USER MOD Single : A 44 GLN : amide:sc= -0.224 K(o=-0.22,f=-11!) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.171) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0903 X(o=-0.09,f=-0.099) USER MOD Single : A 55 THR OG1 : rot 64:sc= -2.85! USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 -4.023 -2.844 9.112 1.00 0.00 N ATOM 71 CA ASN A 5 -4.626 -3.976 8.438 1.00 0.00 C ATOM 72 C ASN A 5 -3.575 -4.683 7.607 1.00 0.00 C ATOM 73 O ASN A 5 -3.886 -5.569 6.814 1.00 0.00 O ATOM 74 CB ASN A 5 -5.787 -3.517 7.540 1.00 0.00 C ATOM 75 CG ASN A 5 -6.967 -3.035 8.377 1.00 0.00 C ATOM 76 OD1 ASN A 5 -7.486 -3.784 9.202 1.00 0.00 O ATOM 77 ND2 ASN A 5 -7.426 -1.828 8.222 1.00 0.00 N ATOM 0 HA ASN A 5 -5.024 -4.663 9.185 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.449 -2.714 6.885 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.103 -4.340 6.899 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.214 -1.506 8.784 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -6.998 -1.203 7.538 1.00 0.00 H new ATOM 84 N LEU A 6 -2.316 -4.320 7.827 1.00 0.00 N ATOM 85 CA LEU A 6 -1.223 -4.939 7.103 1.00 0.00 C ATOM 86 C LEU A 6 -1.201 -6.419 7.413 1.00 0.00 C ATOM 87 O LEU A 6 -1.038 -7.244 6.517 1.00 0.00 O ATOM 88 CB LEU A 6 0.122 -4.263 7.431 1.00 0.00 C ATOM 89 CG LEU A 6 0.113 -2.823 6.852 1.00 0.00 C ATOM 90 CD1 LEU A 6 1.284 -2.016 7.396 1.00 0.00 C ATOM 91 CD2 LEU A 6 0.245 -2.872 5.332 1.00 0.00 C ATOM 0 H LEU A 6 -2.033 -3.605 8.497 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.379 -4.807 6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.277 -4.235 8.510 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.946 -4.836 7.005 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.827 -2.354 7.142 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.258 -1.010 6.977 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.213 -1.959 8.482 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.220 -2.501 7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.238 -1.858 4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.182 -3.361 5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.590 -3.433 4.912 1.00 0.00 H new ATOM 103 N LYS A 7 -1.526 -6.757 8.652 1.00 0.00 N ATOM 104 CA LYS A 7 -1.701 -8.157 9.012 1.00 0.00 C ATOM 105 C LYS A 7 -2.734 -8.793 8.083 1.00 0.00 C ATOM 106 O LYS A 7 -2.541 -9.901 7.581 1.00 0.00 O ATOM 107 CB LYS A 7 -2.164 -8.302 10.479 1.00 0.00 C ATOM 108 CG LYS A 7 -3.298 -7.300 10.806 1.00 0.00 C ATOM 109 CD LYS A 7 -3.925 -7.670 12.167 1.00 0.00 C ATOM 110 CE LYS A 7 -5.088 -6.717 12.511 1.00 0.00 C ATOM 111 NZ LYS A 7 -4.569 -5.354 12.806 1.00 0.00 N ATOM 0 H LYS A 7 -1.672 -6.094 9.414 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.741 -8.663 8.906 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.512 -9.320 10.655 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.321 -8.133 11.148 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.904 -6.284 10.838 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.057 -7.323 10.024 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.287 -8.698 12.138 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.166 -7.621 12.948 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.790 -6.674 11.678 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.637 -7.099 13.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.338 -4.764 13.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.806 -5.418 13.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.200 -4.926 11.933 1.00 0.00 H new ATOM 125 N LEU A 8 -3.818 -8.070 7.833 1.00 0.00 N ATOM 126 CA LEU A 8 -4.857 -8.542 6.926 1.00 0.00 C ATOM 127 C LEU A 8 -4.295 -8.612 5.509 1.00 0.00 C ATOM 128 O LEU A 8 -4.565 -9.552 4.753 1.00 0.00 O ATOM 129 CB LEU A 8 -6.080 -7.615 6.966 1.00 0.00 C ATOM 130 CG LEU A 8 -6.663 -7.577 8.392 1.00 0.00 C ATOM 131 CD1 LEU A 8 -7.873 -6.650 8.435 1.00 0.00 C ATOM 132 CD2 LEU A 8 -7.062 -8.981 8.858 1.00 0.00 C ATOM 0 H LEU A 8 -4.001 -7.155 8.245 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.177 -9.535 7.242 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.796 -6.610 6.653 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.836 -7.966 6.264 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.895 -7.198 9.066 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.279 -6.629 9.446 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.571 -5.644 8.144 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.635 -7.014 7.746 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.471 -8.927 9.867 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.815 -9.388 8.183 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.185 -9.628 8.856 1.00 0.00 H new ATOM 144 N ILE A 9 -3.482 -7.622 5.172 1.00 0.00 N ATOM 145 CA ILE A 9 -2.831 -7.549 3.872 1.00 0.00 C ATOM 146 C ILE A 9 -1.919 -8.759 3.720 1.00 0.00 C ATOM 147 O ILE A 9 -1.845 -9.379 2.653 1.00 0.00 O ATOM 148 CB ILE A 9 -2.000 -6.251 3.755 1.00 0.00 C ATOM 149 CG1 ILE A 9 -2.917 -5.018 3.781 1.00 0.00 C ATOM 150 CG2 ILE A 9 -1.210 -6.255 2.438 1.00 0.00 C ATOM 151 CD1 ILE A 9 -3.896 -5.053 2.610 1.00 0.00 C ATOM 0 H ILE A 9 -3.255 -6.845 5.793 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.586 -7.544 3.086 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.314 -6.207 4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.467 -4.987 4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.316 -4.110 3.733 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.626 -5.338 2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.540 -7.114 2.418 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.903 -6.316 1.598 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.537 -4.172 2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.341 -5.061 1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.510 -5.951 2.676 1.00 0.00 H new ATOM 163 N ARG A 10 -1.216 -9.073 4.789 1.00 0.00 N ATOM 164 CA ARG A 10 -0.262 -10.163 4.797 1.00 0.00 C ATOM 165 C ARG A 10 -0.932 -11.434 4.304 1.00 0.00 C ATOM 166 O ARG A 10 -0.360 -12.178 3.499 1.00 0.00 O ATOM 167 CB ARG A 10 0.231 -10.383 6.236 1.00 0.00 C ATOM 168 CG ARG A 10 1.301 -11.483 6.280 1.00 0.00 C ATOM 169 CD ARG A 10 0.950 -12.491 7.378 1.00 0.00 C ATOM 170 NE ARG A 10 0.671 -11.806 8.649 1.00 0.00 N ATOM 171 CZ ARG A 10 -0.376 -12.126 9.434 1.00 0.00 C ATOM 172 NH1 ARG A 10 -1.229 -13.039 9.066 1.00 0.00 N ATOM 173 NH2 ARG A 10 -0.552 -11.506 10.566 1.00 0.00 N ATOM 0 H ARG A 10 -1.290 -8.579 5.678 1.00 0.00 H new ATOM 0 HA ARG A 10 0.576 -9.918 4.145 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.641 -9.454 6.631 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.608 -10.659 6.875 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.361 -11.986 5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.280 -11.045 6.473 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.081 -13.075 7.077 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.774 -13.192 7.511 1.00 0.00 H new ATOM 0 HE ARG A 10 1.296 -11.058 8.949 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.108 -13.520 8.175 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.018 -13.273 9.669 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.102 -10.780 10.857 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.344 -11.747 11.162 1.00 0.00 H new ATOM 187 N GLU A 11 -2.142 -11.677 4.773 1.00 0.00 N ATOM 188 CA GLU A 11 -2.874 -12.855 4.363 1.00 0.00 C ATOM 189 C GLU A 11 -3.243 -12.790 2.886 1.00 0.00 C ATOM 190 O GLU A 11 -3.100 -13.782 2.168 1.00 0.00 O ATOM 191 CB GLU A 11 -4.107 -13.057 5.236 1.00 0.00 C ATOM 192 CG GLU A 11 -3.654 -13.339 6.676 1.00 0.00 C ATOM 193 CD GLU A 11 -2.822 -14.604 6.725 1.00 0.00 C ATOM 194 OE1 GLU A 11 -3.273 -15.612 6.251 1.00 0.00 O ATOM 195 OE2 GLU A 11 -1.729 -14.545 7.235 1.00 0.00 O ATOM 0 H GLU A 11 -2.634 -11.076 5.434 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.224 -13.719 4.498 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.740 -12.170 5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.704 -13.887 4.859 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.072 -12.498 7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.524 -13.442 7.325 1.00 0.00 H new ATOM 202 N LYS A 12 -3.641 -11.607 2.403 1.00 0.00 N ATOM 203 CA LYS A 12 -3.912 -11.455 0.974 1.00 0.00 C ATOM 204 C LYS A 12 -2.629 -11.665 0.190 1.00 0.00 C ATOM 205 O LYS A 12 -2.620 -12.314 -0.856 1.00 0.00 O ATOM 206 CB LYS A 12 -4.488 -10.072 0.638 1.00 0.00 C ATOM 207 CG LYS A 12 -5.904 -9.920 1.216 1.00 0.00 C ATOM 208 CD LYS A 12 -6.506 -8.565 0.787 1.00 0.00 C ATOM 209 CE LYS A 12 -5.839 -7.412 1.549 1.00 0.00 C ATOM 210 NZ LYS A 12 -6.452 -6.115 1.144 1.00 0.00 N ATOM 0 H LYS A 12 -3.779 -10.766 2.963 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.656 -12.203 0.699 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.839 -9.294 1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.514 -9.936 -0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.538 -10.736 0.867 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.871 -9.985 2.304 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.372 -8.425 -0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.579 -8.561 0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.954 -7.559 2.623 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.769 -7.399 1.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.779 -5.581 0.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.319 -6.296 0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.687 -5.562 1.993 1.00 0.00 H new ATOM 224 N LYS A 13 -1.549 -11.111 0.710 1.00 0.00 N ATOM 225 CA LYS A 13 -0.239 -11.212 0.078 1.00 0.00 C ATOM 226 C LYS A 13 0.378 -12.582 0.254 1.00 0.00 C ATOM 227 O LYS A 13 1.415 -12.868 -0.346 1.00 0.00 O ATOM 228 CB LYS A 13 0.715 -10.131 0.603 1.00 0.00 C ATOM 229 CG LYS A 13 0.313 -8.758 0.049 1.00 0.00 C ATOM 230 CD LYS A 13 0.596 -8.722 -1.462 1.00 0.00 C ATOM 231 CE LYS A 13 0.225 -7.357 -2.019 1.00 0.00 C ATOM 232 NZ LYS A 13 0.495 -7.323 -3.478 1.00 0.00 N ATOM 0 H LYS A 13 -1.551 -10.579 1.580 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.396 -11.054 -0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.692 -10.113 1.693 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.738 -10.365 0.310 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.744 -8.571 0.238 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.871 -7.970 0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.650 -8.928 -1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.024 -9.500 -1.968 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.828 -7.150 -1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.799 -6.579 -1.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.836 -6.378 -3.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.218 -8.032 -3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.380 -7.535 -3.998 1.00 0.00 H new ATOM 246 N LYS A 14 -0.200 -13.399 1.124 1.00 0.00 N ATOM 247 CA LYS A 14 0.370 -14.711 1.407 1.00 0.00 C ATOM 248 C LYS A 14 1.853 -14.576 1.685 1.00 0.00 C ATOM 249 O LYS A 14 2.693 -15.091 0.935 1.00 0.00 O ATOM 250 CB LYS A 14 0.152 -15.669 0.227 1.00 0.00 C ATOM 251 CG LYS A 14 -1.323 -16.048 0.101 1.00 0.00 C ATOM 252 CD LYS A 14 -1.731 -16.875 1.322 1.00 0.00 C ATOM 253 CE LYS A 14 -2.937 -17.742 0.972 1.00 0.00 C ATOM 254 NZ LYS A 14 -2.491 -18.863 0.102 1.00 0.00 N ATOM 0 H LYS A 14 -1.052 -13.182 1.641 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.132 -15.121 2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.492 -15.199 -0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.752 -16.568 0.367 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.938 -15.151 0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.488 -16.619 -0.813 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.900 -17.503 1.643 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.974 -16.216 2.156 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.398 -18.131 1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.693 -17.146 0.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.151 -19.661 0.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.471 -18.547 -0.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.538 -19.166 0.388 1.00 0.00 H new ATOM 268 N ILE A 15 2.179 -13.824 2.711 1.00 0.00 N ATOM 269 CA ILE A 15 3.562 -13.546 3.001 1.00 0.00 C ATOM 270 C ILE A 15 4.118 -14.647 3.870 1.00 0.00 C ATOM 271 O ILE A 15 3.668 -14.839 5.007 1.00 0.00 O ATOM 272 CB ILE A 15 3.672 -12.214 3.756 1.00 0.00 C ATOM 273 CG1 ILE A 15 3.056 -11.094 2.929 1.00 0.00 C ATOM 274 CG2 ILE A 15 5.143 -11.875 4.026 1.00 0.00 C ATOM 275 CD1 ILE A 15 3.017 -9.823 3.777 1.00 0.00 C ATOM 0 H ILE A 15 1.510 -13.398 3.352 1.00 0.00 H new ATOM 0 HA ILE A 15 4.122 -13.487 2.068 1.00 0.00 H new ATOM 0 HB ILE A 15 3.140 -12.312 4.702 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.641 -10.927 2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.050 -11.368 2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.206 -10.928 4.562 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.593 -12.664 4.629 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.677 -11.792 3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.578 -9.012 3.197 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.415 -9.999 4.668 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.031 -9.551 4.072 1.00 0.00 H new ATOM 287 N SER A 16 5.145 -15.303 3.388 1.00 0.00 N ATOM 288 CA SER A 16 5.849 -16.270 4.185 1.00 0.00 C ATOM 289 C SER A 16 6.873 -15.533 5.032 1.00 0.00 C ATOM 290 O SER A 16 7.213 -14.382 4.737 1.00 0.00 O ATOM 291 CB SER A 16 6.515 -17.317 3.292 1.00 0.00 C ATOM 292 OG SER A 16 5.558 -17.783 2.332 1.00 0.00 O ATOM 0 H SER A 16 5.511 -15.182 2.444 1.00 0.00 H new ATOM 0 HA SER A 16 5.154 -16.800 4.837 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.379 -16.886 2.785 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.881 -18.149 3.894 1.00 0.00 H new ATOM 0 HG SER A 16 5.976 -18.454 1.753 1.00 0.00 H new ATOM 298 N GLN A 17 7.336 -16.155 6.086 1.00 0.00 N ATOM 299 CA GLN A 17 8.262 -15.494 6.988 1.00 0.00 C ATOM 300 C GLN A 17 9.458 -14.976 6.200 1.00 0.00 C ATOM 301 O GLN A 17 9.877 -13.827 6.366 1.00 0.00 O ATOM 302 CB GLN A 17 8.699 -16.471 8.083 1.00 0.00 C ATOM 303 CG GLN A 17 7.479 -16.790 8.970 1.00 0.00 C ATOM 304 CD GLN A 17 7.810 -17.865 10.001 1.00 0.00 C ATOM 305 OE1 GLN A 17 6.949 -18.235 10.807 1.00 0.00 O ATOM 306 NE2 GLN A 17 8.991 -18.395 10.022 1.00 0.00 N ATOM 0 H GLN A 17 7.093 -17.111 6.345 1.00 0.00 H new ATOM 0 HA GLN A 17 7.774 -14.645 7.466 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.094 -17.385 7.639 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.499 -16.036 8.682 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.150 -15.884 9.479 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.650 -17.124 8.346 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.700 -18.088 9.356 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.213 -19.120 10.705 1.00 0.00 H new ATOM 315 N SER A 18 9.900 -15.764 5.247 1.00 0.00 N ATOM 316 CA SER A 18 10.945 -15.351 4.327 1.00 0.00 C ATOM 317 C SER A 18 10.501 -14.138 3.505 1.00 0.00 C ATOM 318 O SER A 18 11.279 -13.208 3.272 1.00 0.00 O ATOM 319 CB SER A 18 11.277 -16.517 3.402 1.00 0.00 C ATOM 320 OG SER A 18 10.202 -17.465 3.461 1.00 0.00 O ATOM 0 H SER A 18 9.549 -16.708 5.084 1.00 0.00 H new ATOM 0 HA SER A 18 11.829 -15.064 4.896 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.414 -16.163 2.380 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.213 -16.986 3.705 1.00 0.00 H new ATOM 0 HG SER A 18 10.394 -18.135 4.150 1.00 0.00 H new ATOM 326 N GLU A 19 9.240 -14.143 3.082 1.00 0.00 N ATOM 327 CA GLU A 19 8.704 -13.031 2.307 1.00 0.00 C ATOM 328 C GLU A 19 8.664 -11.796 3.193 1.00 0.00 C ATOM 329 O GLU A 19 9.105 -10.717 2.802 1.00 0.00 O ATOM 330 CB GLU A 19 7.288 -13.359 1.815 1.00 0.00 C ATOM 331 CG GLU A 19 7.319 -14.596 0.903 1.00 0.00 C ATOM 332 CD GLU A 19 8.152 -14.331 -0.330 1.00 0.00 C ATOM 333 OE1 GLU A 19 7.868 -13.381 -1.015 1.00 0.00 O ATOM 334 OE2 GLU A 19 9.073 -15.076 -0.568 1.00 0.00 O ATOM 0 H GLU A 19 8.577 -14.897 3.261 1.00 0.00 H new ATOM 0 HA GLU A 19 9.339 -12.851 1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.632 -13.541 2.666 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.877 -12.508 1.272 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.729 -15.446 1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.304 -14.864 0.611 1.00 0.00 H new ATOM 341 N LEU A 20 8.252 -12.000 4.439 1.00 0.00 N ATOM 342 CA LEU A 20 8.279 -10.933 5.427 1.00 0.00 C ATOM 343 C LEU A 20 9.716 -10.501 5.642 1.00 0.00 C ATOM 344 O LEU A 20 10.029 -9.312 5.650 1.00 0.00 O ATOM 345 CB LEU A 20 7.647 -11.398 6.753 1.00 0.00 C ATOM 346 CG LEU A 20 7.694 -10.266 7.799 1.00 0.00 C ATOM 347 CD1 LEU A 20 6.967 -9.025 7.270 1.00 0.00 C ATOM 348 CD2 LEU A 20 7.014 -10.735 9.088 1.00 0.00 C ATOM 0 H LEU A 20 7.897 -12.891 4.786 1.00 0.00 H new ATOM 0 HA LEU A 20 7.694 -10.088 5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.614 -11.702 6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.179 -12.272 7.130 1.00 0.00 H new ATOM 0 HG LEU A 20 8.735 -10.013 7.998 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.007 -8.233 8.018 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.449 -8.684 6.354 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.927 -9.274 7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.047 -9.936 9.828 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.976 -10.993 8.879 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.535 -11.610 9.476 1.00 0.00 H new ATOM 360 N ALA A 21 10.604 -11.479 5.723 1.00 0.00 N ATOM 361 CA ALA A 21 12.020 -11.190 5.849 1.00 0.00 C ATOM 362 C ALA A 21 12.464 -10.336 4.681 1.00 0.00 C ATOM 363 O ALA A 21 13.205 -9.371 4.860 1.00 0.00 O ATOM 364 CB ALA A 21 12.839 -12.482 5.882 1.00 0.00 C ATOM 0 H ALA A 21 10.370 -12.472 5.704 1.00 0.00 H new ATOM 0 HA ALA A 21 12.185 -10.655 6.784 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.897 -12.240 5.977 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.528 -13.088 6.733 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.676 -13.040 4.960 1.00 0.00 H new ATOM 370 N ALA A 22 11.924 -10.643 3.498 1.00 0.00 N ATOM 371 CA ALA A 22 12.213 -9.882 2.286 1.00 0.00 C ATOM 372 C ALA A 22 11.868 -8.424 2.493 1.00 0.00 C ATOM 373 O ALA A 22 12.622 -7.534 2.094 1.00 0.00 O ATOM 374 CB ALA A 22 11.409 -10.430 1.102 1.00 0.00 C ATOM 0 H ALA A 22 11.279 -11.421 3.357 1.00 0.00 H new ATOM 0 HA ALA A 22 13.277 -9.977 2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.637 -9.850 0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.673 -11.474 0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.344 -10.356 1.320 1.00 0.00 H new ATOM 380 N LEU A 23 10.761 -8.178 3.168 1.00 0.00 N ATOM 381 CA LEU A 23 10.359 -6.819 3.483 1.00 0.00 C ATOM 382 C LEU A 23 11.408 -6.192 4.381 1.00 0.00 C ATOM 383 O LEU A 23 11.743 -5.011 4.247 1.00 0.00 O ATOM 384 CB LEU A 23 8.994 -6.803 4.188 1.00 0.00 C ATOM 385 CG LEU A 23 7.897 -7.296 3.228 1.00 0.00 C ATOM 386 CD1 LEU A 23 6.562 -7.386 3.972 1.00 0.00 C ATOM 387 CD2 LEU A 23 7.754 -6.329 2.051 1.00 0.00 C ATOM 0 H LEU A 23 10.125 -8.899 3.508 1.00 0.00 H new ATOM 0 HA LEU A 23 10.270 -6.250 2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.026 -7.438 5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.764 -5.793 4.528 1.00 0.00 H new ATOM 0 HG LEU A 23 8.175 -8.281 2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.788 -7.735 3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.655 -8.085 4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.291 -6.402 4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.975 -6.688 1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.485 -5.340 2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.700 -6.269 1.512 1.00 0.00 H new ATOM 399 N LEU A 24 11.917 -6.990 5.308 1.00 0.00 N ATOM 400 CA LEU A 24 12.910 -6.525 6.261 1.00 0.00 C ATOM 401 C LEU A 24 14.326 -6.566 5.687 1.00 0.00 C ATOM 402 O LEU A 24 15.262 -6.074 6.314 1.00 0.00 O ATOM 403 CB LEU A 24 12.815 -7.311 7.579 1.00 0.00 C ATOM 404 CG LEU A 24 11.701 -6.707 8.455 1.00 0.00 C ATOM 405 CD1 LEU A 24 10.335 -6.932 7.805 1.00 0.00 C ATOM 406 CD2 LEU A 24 11.712 -7.356 9.836 1.00 0.00 C ATOM 0 H LEU A 24 11.655 -7.970 5.419 1.00 0.00 H new ATOM 0 HA LEU A 24 12.689 -5.479 6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.604 -8.361 7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.768 -7.274 8.107 1.00 0.00 H new ATOM 0 HG LEU A 24 11.882 -5.637 8.553 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.557 -6.500 8.435 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.315 -6.455 6.825 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.158 -8.001 7.691 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.921 -6.923 10.448 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.546 -8.429 9.735 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.677 -7.181 10.313 1.00 0.00 H new ATOM 418 N GLU A 25 14.469 -7.061 4.457 1.00 0.00 N ATOM 419 CA GLU A 25 15.770 -7.035 3.775 1.00 0.00 C ATOM 420 C GLU A 25 16.213 -5.593 3.539 1.00 0.00 C ATOM 421 O GLU A 25 17.305 -5.338 3.031 1.00 0.00 O ATOM 422 CB GLU A 25 15.735 -7.806 2.448 1.00 0.00 C ATOM 423 CG GLU A 25 15.568 -9.311 2.718 1.00 0.00 C ATOM 424 CD GLU A 25 16.781 -9.873 3.436 1.00 0.00 C ATOM 425 OE1 GLU A 25 17.873 -9.427 3.159 1.00 0.00 O ATOM 426 OE2 GLU A 25 16.602 -10.744 4.254 1.00 0.00 O ATOM 0 H GLU A 25 13.713 -7.480 3.916 1.00 0.00 H new ATOM 0 HA GLU A 25 16.492 -7.531 4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 25 14.913 -7.446 1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 25 16.654 -7.628 1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 25 14.675 -9.479 3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.422 -9.839 1.776 1.00 0.00 H new ATOM 433 N VAL A 26 15.356 -4.660 3.912 1.00 0.00 N ATOM 434 CA VAL A 26 15.642 -3.245 3.785 1.00 0.00 C ATOM 435 C VAL A 26 16.024 -2.723 5.162 1.00 0.00 C ATOM 436 O VAL A 26 15.859 -3.432 6.152 1.00 0.00 O ATOM 437 CB VAL A 26 14.390 -2.509 3.265 1.00 0.00 C ATOM 438 CG1 VAL A 26 14.769 -1.111 2.759 1.00 0.00 C ATOM 439 CG2 VAL A 26 13.755 -3.311 2.119 1.00 0.00 C ATOM 0 H VAL A 26 14.440 -4.864 4.312 1.00 0.00 H new ATOM 0 HA VAL A 26 16.457 -3.077 3.080 1.00 0.00 H new ATOM 0 HB VAL A 26 13.676 -2.412 4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 26 13.877 -0.602 2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 26 15.208 -0.536 3.574 1.00 0.00 H new ATOM 0 HG13 VAL A 26 15.492 -1.201 1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 26 12.871 -2.788 1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.474 -3.417 1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.468 -4.298 2.481 1.00 0.00 H new ATOM 449 N SER A 27 16.621 -1.549 5.224 1.00 0.00 N ATOM 450 CA SER A 27 17.109 -1.039 6.496 1.00 0.00 C ATOM 451 C SER A 27 15.992 -1.031 7.537 1.00 0.00 C ATOM 452 O SER A 27 14.974 -0.367 7.368 1.00 0.00 O ATOM 453 CB SER A 27 17.681 0.370 6.322 1.00 0.00 C ATOM 454 OG SER A 27 18.562 0.395 5.191 1.00 0.00 O ATOM 0 H SER A 27 16.780 -0.936 4.424 1.00 0.00 H new ATOM 0 HA SER A 27 17.903 -1.698 6.847 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.872 1.087 6.182 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.219 0.669 7.222 1.00 0.00 H new ATOM 0 HG SER A 27 18.926 1.298 5.080 1.00 0.00 H new ATOM 460 N ARG A 28 16.214 -1.756 8.619 1.00 0.00 N ATOM 461 CA ARG A 28 15.259 -1.845 9.711 1.00 0.00 C ATOM 462 C ARG A 28 15.313 -0.593 10.569 1.00 0.00 C ATOM 463 O ARG A 28 14.420 -0.349 11.377 1.00 0.00 O ATOM 464 CB ARG A 28 15.545 -3.084 10.571 1.00 0.00 C ATOM 465 CG ARG A 28 14.724 -4.284 10.065 1.00 0.00 C ATOM 466 CD ARG A 28 15.472 -4.986 8.926 1.00 0.00 C ATOM 467 NE ARG A 28 16.895 -5.104 9.227 1.00 0.00 N ATOM 468 CZ ARG A 28 17.809 -5.197 8.258 1.00 0.00 C ATOM 469 NH1 ARG A 28 17.436 -5.248 7.009 1.00 0.00 N ATOM 470 NH2 ARG A 28 19.072 -5.260 8.563 1.00 0.00 N ATOM 0 H ARG A 28 17.063 -2.301 8.766 1.00 0.00 H new ATOM 0 HA ARG A 28 14.259 -1.934 9.286 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.608 -3.321 10.537 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.297 -2.878 11.612 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.547 -4.984 10.881 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.748 -3.947 9.717 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.048 -5.977 8.764 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.338 -4.427 8.000 1.00 0.00 H new ATOM 0 HE ARG A 28 17.199 -5.116 10.201 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.445 -5.217 6.771 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.136 -5.319 6.270 1.00 0.00 H new ATOM 0 HH21 ARG A 28 19.362 -5.238 9.541 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.772 -5.331 7.825 1.00 0.00 H new ATOM 484 N GLN A 29 16.403 0.153 10.450 1.00 0.00 N ATOM 485 CA GLN A 29 16.626 1.315 11.301 1.00 0.00 C ATOM 486 C GLN A 29 15.456 2.284 11.220 1.00 0.00 C ATOM 487 O GLN A 29 15.009 2.807 12.238 1.00 0.00 O ATOM 488 CB GLN A 29 17.909 2.045 10.881 1.00 0.00 C ATOM 489 CG GLN A 29 19.139 1.183 11.195 1.00 0.00 C ATOM 490 CD GLN A 29 20.396 1.877 10.681 1.00 0.00 C ATOM 491 OE1 GLN A 29 20.533 2.091 9.476 1.00 0.00 O ATOM 492 NE2 GLN A 29 21.318 2.240 11.511 1.00 0.00 N ATOM 0 H GLN A 29 17.146 -0.025 9.774 1.00 0.00 H new ATOM 0 HA GLN A 29 16.723 0.960 12.327 1.00 0.00 H new ATOM 0 HB2 GLN A 29 17.876 2.269 9.815 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.981 2.998 11.405 1.00 0.00 H new ATOM 0 HG2 GLN A 29 19.216 1.019 12.270 1.00 0.00 H new ATOM 0 HG3 GLN A 29 19.037 0.203 10.730 1.00 0.00 H new ATOM 0 HE21 GLN A 29 21.204 2.063 12.509 1.00 0.00 H new ATOM 0 HE22 GLN A 29 22.159 2.704 11.168 1.00 0.00 H new ATOM 501 N THR A 30 14.955 2.515 10.019 1.00 0.00 N ATOM 502 CA THR A 30 13.850 3.437 9.840 1.00 0.00 C ATOM 503 C THR A 30 12.591 2.932 10.554 1.00 0.00 C ATOM 504 O THR A 30 11.985 3.646 11.359 1.00 0.00 O ATOM 505 CB THR A 30 13.582 3.632 8.344 1.00 0.00 C ATOM 506 OG1 THR A 30 13.517 2.355 7.709 1.00 0.00 O ATOM 507 CG2 THR A 30 14.724 4.444 7.725 1.00 0.00 C ATOM 0 H THR A 30 15.293 2.080 9.160 1.00 0.00 H new ATOM 0 HA THR A 30 14.118 4.396 10.283 1.00 0.00 H new ATOM 0 HB THR A 30 12.639 4.162 8.207 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.344 2.474 6.752 1.00 0.00 H new ATOM 0 HG21 THR A 30 14.536 4.584 6.661 1.00 0.00 H new ATOM 0 HG22 THR A 30 14.786 5.416 8.214 1.00 0.00 H new ATOM 0 HG23 THR A 30 15.665 3.910 7.860 1.00 0.00 H new ATOM 515 N ILE A 31 12.228 1.689 10.280 1.00 0.00 N ATOM 516 CA ILE A 31 11.062 1.070 10.895 1.00 0.00 C ATOM 517 C ILE A 31 11.283 0.764 12.382 1.00 0.00 C ATOM 518 O ILE A 31 10.352 0.848 13.181 1.00 0.00 O ATOM 519 CB ILE A 31 10.627 -0.187 10.120 1.00 0.00 C ATOM 520 CG1 ILE A 31 9.283 -0.696 10.664 1.00 0.00 C ATOM 521 CG2 ILE A 31 11.679 -1.285 10.253 1.00 0.00 C ATOM 522 CD1 ILE A 31 8.750 -1.808 9.759 1.00 0.00 C ATOM 0 H ILE A 31 12.729 1.083 9.630 1.00 0.00 H new ATOM 0 HA ILE A 31 10.250 1.795 10.842 1.00 0.00 H new ATOM 0 HB ILE A 31 10.519 0.074 9.067 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.409 -1.070 11.680 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.565 0.123 10.712 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.356 -2.167 9.700 1.00 0.00 H new ATOM 0 HG22 ILE A 31 12.628 -0.931 9.850 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.805 -1.543 11.305 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.797 -2.167 10.147 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.608 -1.420 8.750 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.465 -2.631 9.734 1.00 0.00 H new ATOM 534 N ASN A 32 12.498 0.334 12.732 1.00 0.00 N ATOM 535 CA ASN A 32 12.808 -0.112 14.106 1.00 0.00 C ATOM 536 C ASN A 32 12.199 0.798 15.158 1.00 0.00 C ATOM 537 O ASN A 32 11.904 0.354 16.273 1.00 0.00 O ATOM 538 CB ASN A 32 14.326 -0.253 14.334 1.00 0.00 C ATOM 539 CG ASN A 32 14.797 -1.674 14.005 1.00 0.00 C ATOM 540 OD1 ASN A 32 15.914 -1.862 13.507 1.00 0.00 O ATOM 541 ND2 ASN A 32 14.028 -2.693 14.262 1.00 0.00 N ATOM 0 H ASN A 32 13.287 0.283 12.088 1.00 0.00 H new ATOM 0 HA ASN A 32 12.353 -1.097 14.215 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.860 0.465 13.711 1.00 0.00 H new ATOM 0 HB3 ASN A 32 14.566 -0.017 15.371 1.00 0.00 H new ATOM 0 HD21 ASN A 32 14.348 -3.639 14.053 1.00 0.00 H new ATOM 0 HD22 ASN A 32 13.106 -2.545 14.673 1.00 0.00 H new ATOM 548 N GLY A 33 11.942 2.038 14.791 1.00 0.00 N ATOM 549 CA GLY A 33 11.278 2.969 15.691 1.00 0.00 C ATOM 550 C GLY A 33 9.990 2.356 16.232 1.00 0.00 C ATOM 551 O GLY A 33 9.520 2.723 17.315 1.00 0.00 O ATOM 0 H GLY A 33 12.181 2.427 13.879 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.942 3.223 16.517 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.054 3.897 15.165 1.00 0.00 H new ATOM 555 N ILE A 34 9.454 1.368 15.510 1.00 0.00 N ATOM 556 CA ILE A 34 8.239 0.701 15.950 1.00 0.00 C ATOM 557 C ILE A 34 8.424 0.071 17.309 1.00 0.00 C ATOM 558 O ILE A 34 7.467 -0.119 18.031 1.00 0.00 O ATOM 559 CB ILE A 34 7.771 -0.361 14.943 1.00 0.00 C ATOM 560 CG1 ILE A 34 8.864 -1.419 14.730 1.00 0.00 C ATOM 561 CG2 ILE A 34 7.416 0.299 13.607 1.00 0.00 C ATOM 562 CD1 ILE A 34 8.305 -2.568 13.891 1.00 0.00 C ATOM 0 H ILE A 34 9.840 1.021 14.632 1.00 0.00 H new ATOM 0 HA ILE A 34 7.468 1.468 16.018 1.00 0.00 H new ATOM 0 HB ILE A 34 6.884 -0.851 15.345 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.723 -0.974 14.229 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.214 -1.794 15.692 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.086 -0.463 12.901 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.616 1.023 13.760 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.294 0.807 13.208 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.081 -3.319 13.740 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.459 -3.019 14.410 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.976 -2.186 12.924 1.00 0.00 H new ATOM 574 N GLU A 35 9.653 -0.205 17.687 1.00 0.00 N ATOM 575 CA GLU A 35 9.871 -0.784 18.992 1.00 0.00 C ATOM 576 C GLU A 35 9.402 0.168 20.082 1.00 0.00 C ATOM 577 O GLU A 35 8.696 -0.243 21.005 1.00 0.00 O ATOM 578 CB GLU A 35 11.324 -1.185 19.180 1.00 0.00 C ATOM 579 CG GLU A 35 11.648 -2.307 18.184 1.00 0.00 C ATOM 580 CD GLU A 35 10.767 -3.514 18.464 1.00 0.00 C ATOM 581 OE1 GLU A 35 10.781 -3.995 19.572 1.00 0.00 O ATOM 582 OE2 GLU A 35 10.073 -3.939 17.566 1.00 0.00 O ATOM 0 H GLU A 35 10.492 -0.044 17.129 1.00 0.00 H new ATOM 0 HA GLU A 35 9.277 -1.695 19.068 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.978 -0.329 19.014 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.495 -1.523 20.202 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.488 -1.958 17.164 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.699 -2.585 18.265 1.00 0.00 H new ATOM 589 N LYS A 36 9.654 1.462 19.898 1.00 0.00 N ATOM 590 CA LYS A 36 9.100 2.453 20.812 1.00 0.00 C ATOM 591 C LYS A 36 7.805 3.034 20.243 1.00 0.00 C ATOM 592 O LYS A 36 6.964 3.538 20.986 1.00 0.00 O ATOM 593 CB LYS A 36 10.118 3.575 21.074 1.00 0.00 C ATOM 594 CG LYS A 36 11.342 2.995 21.809 1.00 0.00 C ATOM 595 CD LYS A 36 12.357 4.118 22.096 1.00 0.00 C ATOM 596 CE LYS A 36 13.628 3.529 22.733 1.00 0.00 C ATOM 597 NZ LYS A 36 13.262 2.673 23.897 1.00 0.00 N ATOM 0 H LYS A 36 10.225 1.841 19.142 1.00 0.00 H new ATOM 0 HA LYS A 36 8.877 1.962 21.759 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.427 4.028 20.132 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.661 4.363 21.672 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.029 2.527 22.743 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.807 2.218 21.203 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.610 4.636 21.171 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.915 4.857 22.764 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.176 2.941 21.996 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.290 4.333 23.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.106 2.501 24.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.539 3.155 24.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.886 1.766 23.556 1.00 0.00 H new ATOM 611 N ASN A 37 7.623 2.877 18.931 1.00 0.00 N ATOM 612 CA ASN A 37 6.403 3.306 18.229 1.00 0.00 C ATOM 613 C ASN A 37 5.400 2.161 18.100 1.00 0.00 C ATOM 614 O ASN A 37 4.629 2.121 17.149 1.00 0.00 O ATOM 615 CB ASN A 37 6.727 3.911 16.849 1.00 0.00 C ATOM 616 CG ASN A 37 5.574 4.790 16.362 1.00 0.00 C ATOM 617 OD1 ASN A 37 5.728 6.010 16.228 1.00 0.00 O ATOM 618 ND2 ASN A 37 4.429 4.252 16.085 1.00 0.00 N ATOM 0 H ASN A 37 8.317 2.448 18.319 1.00 0.00 H new ATOM 0 HA ASN A 37 5.942 4.087 18.834 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.641 4.502 16.911 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.911 3.113 16.130 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.658 4.834 15.758 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.298 3.246 16.194 1.00 0.00 H new ATOM 625 N LYS A 38 5.580 1.125 18.912 1.00 0.00 N ATOM 626 CA LYS A 38 4.844 -0.142 18.744 1.00 0.00 C ATOM 627 C LYS A 38 3.333 0.057 18.612 1.00 0.00 C ATOM 628 O LYS A 38 2.617 -0.872 18.213 1.00 0.00 O ATOM 629 CB LYS A 38 5.177 -1.149 19.860 1.00 0.00 C ATOM 630 CG LYS A 38 5.274 -2.575 19.267 1.00 0.00 C ATOM 631 CD LYS A 38 6.541 -2.691 18.396 1.00 0.00 C ATOM 632 CE LYS A 38 6.755 -4.140 17.933 1.00 0.00 C ATOM 633 NZ LYS A 38 7.961 -4.705 18.590 1.00 0.00 N ATOM 0 H LYS A 38 6.230 1.129 19.698 1.00 0.00 H new ATOM 0 HA LYS A 38 5.186 -0.563 17.799 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.119 -0.879 20.337 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.408 -1.118 20.632 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.304 -3.312 20.070 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.389 -2.791 18.669 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.452 -2.037 17.529 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.409 -2.354 18.962 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.880 -4.743 18.178 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.871 -4.172 16.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.803 -5.711 18.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.779 -4.608 17.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.147 -4.192 19.475 1.00 0.00 H new ATOM 647 N TYR A 39 2.869 1.282 18.827 1.00 0.00 N ATOM 648 CA TYR A 39 1.478 1.618 18.556 1.00 0.00 C ATOM 649 C TYR A 39 1.196 1.394 17.072 1.00 0.00 C ATOM 650 O TYR A 39 2.087 0.984 16.321 1.00 0.00 O ATOM 651 CB TYR A 39 1.122 3.075 18.936 1.00 0.00 C ATOM 652 CG TYR A 39 2.311 3.838 19.492 1.00 0.00 C ATOM 653 CD1 TYR A 39 2.730 3.634 20.811 1.00 0.00 C ATOM 654 CD2 TYR A 39 2.975 4.769 18.687 1.00 0.00 C ATOM 655 CE1 TYR A 39 3.809 4.364 21.323 1.00 0.00 C ATOM 656 CE2 TYR A 39 4.052 5.493 19.197 1.00 0.00 C ATOM 657 CZ TYR A 39 4.469 5.292 20.516 1.00 0.00 C ATOM 658 OH TYR A 39 5.527 6.021 21.018 1.00 0.00 O ATOM 0 H TYR A 39 3.431 2.054 19.186 1.00 0.00 H new ATOM 0 HA TYR A 39 0.858 0.970 19.176 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.741 3.594 18.056 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.321 3.069 19.675 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.221 2.913 21.434 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.653 4.928 17.668 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.131 4.209 22.342 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.564 6.210 18.572 1.00 0.00 H new ATOM 0 HH TYR A 39 6.302 5.433 21.139 1.00 0.00 H new ATOM 668 N ASN A 40 -0.018 1.683 16.634 1.00 0.00 N ATOM 669 CA ASN A 40 -0.356 1.486 15.228 1.00 0.00 C ATOM 670 C ASN A 40 0.597 2.321 14.385 1.00 0.00 C ATOM 671 O ASN A 40 0.792 3.507 14.661 1.00 0.00 O ATOM 672 CB ASN A 40 -1.802 1.933 14.967 1.00 0.00 C ATOM 673 CG ASN A 40 -2.106 1.911 13.474 1.00 0.00 C ATOM 674 OD1 ASN A 40 -2.380 0.848 12.915 1.00 0.00 O ATOM 675 ND2 ASN A 40 -2.075 3.016 12.793 1.00 0.00 N ATOM 0 H ASN A 40 -0.774 2.047 17.214 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.265 0.431 14.969 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.493 1.275 15.495 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.955 2.938 15.361 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.278 3.005 11.793 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.848 3.895 13.258 1.00 0.00 H new ATOM 682 N PRO A 41 1.363 1.678 13.533 1.00 0.00 N ATOM 683 CA PRO A 41 2.505 2.348 12.858 1.00 0.00 C ATOM 684 C PRO A 41 2.055 3.478 11.964 1.00 0.00 C ATOM 685 O PRO A 41 0.969 3.424 11.374 1.00 0.00 O ATOM 686 CB PRO A 41 3.129 1.231 12.028 1.00 0.00 C ATOM 687 CG PRO A 41 1.976 0.362 11.651 1.00 0.00 C ATOM 688 CD PRO A 41 0.973 0.440 12.808 1.00 0.00 C ATOM 0 HA PRO A 41 3.192 2.802 13.571 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.634 1.626 11.147 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.873 0.678 12.601 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.522 0.703 10.721 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.302 -0.665 11.489 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.053 0.496 12.445 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.036 -0.437 13.452 1.00 0.00 H new ATOM 696 N SER A 42 2.884 4.494 11.861 1.00 0.00 N ATOM 697 CA SER A 42 2.581 5.614 11.014 1.00 0.00 C ATOM 698 C SER A 42 2.593 5.160 9.565 1.00 0.00 C ATOM 699 O SER A 42 3.336 4.241 9.195 1.00 0.00 O ATOM 700 CB SER A 42 3.606 6.719 11.237 1.00 0.00 C ATOM 701 OG SER A 42 3.824 6.871 12.643 1.00 0.00 O ATOM 0 H SER A 42 3.773 4.562 12.356 1.00 0.00 H new ATOM 0 HA SER A 42 1.593 6.006 11.256 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.542 6.473 10.735 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.251 7.655 10.807 1.00 0.00 H new ATOM 0 HG SER A 42 4.484 7.579 12.797 1.00 0.00 H new ATOM 707 N LEU A 43 1.764 5.776 8.758 1.00 0.00 N ATOM 708 CA LEU A 43 1.636 5.392 7.369 1.00 0.00 C ATOM 709 C LEU A 43 2.972 5.576 6.671 1.00 0.00 C ATOM 710 O LEU A 43 3.368 4.766 5.841 1.00 0.00 O ATOM 711 CB LEU A 43 0.545 6.226 6.678 1.00 0.00 C ATOM 712 CG LEU A 43 -0.873 5.659 6.974 1.00 0.00 C ATOM 713 CD1 LEU A 43 -1.255 4.605 5.934 1.00 0.00 C ATOM 714 CD2 LEU A 43 -0.940 5.029 8.376 1.00 0.00 C ATOM 0 H LEU A 43 1.163 6.551 9.039 1.00 0.00 H new ATOM 0 HA LEU A 43 1.344 4.343 7.312 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.604 7.260 7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.718 6.235 5.602 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.574 6.492 6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.250 4.219 6.156 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.254 5.056 4.942 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.534 3.788 5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.943 4.642 8.553 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.219 4.214 8.443 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.705 5.784 9.126 1.00 0.00 H new ATOM 726 N GLN A 44 3.678 6.632 7.036 1.00 0.00 N ATOM 727 CA GLN A 44 4.977 6.916 6.442 1.00 0.00 C ATOM 728 C GLN A 44 5.883 5.689 6.537 1.00 0.00 C ATOM 729 O GLN A 44 6.463 5.266 5.536 1.00 0.00 O ATOM 730 CB GLN A 44 5.628 8.092 7.174 1.00 0.00 C ATOM 731 CG GLN A 44 4.697 9.311 7.104 1.00 0.00 C ATOM 732 CD GLN A 44 3.870 9.392 8.380 1.00 0.00 C ATOM 733 OE1 GLN A 44 3.168 8.434 8.718 1.00 0.00 O ATOM 734 NE2 GLN A 44 3.909 10.463 9.110 1.00 0.00 N ATOM 0 H GLN A 44 3.376 7.307 7.739 1.00 0.00 H new ATOM 0 HA GLN A 44 4.837 7.170 5.391 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.821 7.826 8.213 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.591 8.329 6.722 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.282 10.222 6.979 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.041 9.232 6.237 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.490 11.252 8.827 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.359 10.516 9.967 1.00 0.00 H new ATOM 743 N LEU A 45 5.944 5.068 7.711 1.00 0.00 N ATOM 744 CA LEU A 45 6.696 3.819 7.848 1.00 0.00 C ATOM 745 C LEU A 45 6.034 2.730 7.026 1.00 0.00 C ATOM 746 O LEU A 45 6.702 1.950 6.338 1.00 0.00 O ATOM 747 CB LEU A 45 6.809 3.371 9.315 1.00 0.00 C ATOM 748 CG LEU A 45 7.693 4.351 10.110 1.00 0.00 C ATOM 749 CD1 LEU A 45 7.742 3.917 11.578 1.00 0.00 C ATOM 750 CD2 LEU A 45 9.119 4.354 9.542 1.00 0.00 C ATOM 0 H LEU A 45 5.494 5.397 8.565 1.00 0.00 H new ATOM 0 HA LEU A 45 7.706 3.999 7.481 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.817 3.320 9.764 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.233 2.368 9.364 1.00 0.00 H new ATOM 0 HG LEU A 45 7.270 5.353 10.031 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.367 4.610 12.141 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.734 3.919 11.992 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.160 2.913 11.647 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.736 5.050 10.111 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.542 3.352 9.614 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.094 4.662 8.497 1.00 0.00 H new ATOM 762 N ALA A 46 4.710 2.711 7.073 1.00 0.00 N ATOM 763 CA ALA A 46 3.934 1.735 6.339 1.00 0.00 C ATOM 764 C ALA A 46 4.213 1.843 4.851 1.00 0.00 C ATOM 765 O ALA A 46 4.163 0.850 4.138 1.00 0.00 O ATOM 766 CB ALA A 46 2.437 1.907 6.619 1.00 0.00 C ATOM 0 H ALA A 46 4.151 3.368 7.618 1.00 0.00 H new ATOM 0 HA ALA A 46 4.231 0.742 6.675 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.874 1.162 6.056 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.249 1.776 7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.122 2.906 6.315 1.00 0.00 H new ATOM 772 N LEU A 47 4.547 3.048 4.392 1.00 0.00 N ATOM 773 CA LEU A 47 4.846 3.258 2.977 1.00 0.00 C ATOM 774 C LEU A 47 6.033 2.426 2.547 1.00 0.00 C ATOM 775 O LEU A 47 5.991 1.784 1.499 1.00 0.00 O ATOM 776 CB LEU A 47 5.119 4.741 2.669 1.00 0.00 C ATOM 777 CG LEU A 47 3.824 5.565 2.768 1.00 0.00 C ATOM 778 CD1 LEU A 47 4.165 7.057 2.735 1.00 0.00 C ATOM 779 CD2 LEU A 47 2.926 5.247 1.566 1.00 0.00 C ATOM 0 H LEU A 47 4.617 3.885 4.971 1.00 0.00 H new ATOM 0 HA LEU A 47 3.966 2.945 2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.859 5.132 3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.542 4.838 1.669 1.00 0.00 H new ATOM 0 HG LEU A 47 3.312 5.317 3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.248 7.642 2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.815 7.300 3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.675 7.293 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.007 5.830 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.449 5.500 0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.682 4.185 1.565 1.00 0.00 H new ATOM 791 N LYS A 48 7.070 2.374 3.376 1.00 0.00 N ATOM 792 CA LYS A 48 8.228 1.560 3.034 1.00 0.00 C ATOM 793 C LYS A 48 7.812 0.107 2.933 1.00 0.00 C ATOM 794 O LYS A 48 8.069 -0.555 1.924 1.00 0.00 O ATOM 795 CB LYS A 48 9.339 1.702 4.090 1.00 0.00 C ATOM 796 CG LYS A 48 9.943 3.111 4.043 1.00 0.00 C ATOM 797 CD LYS A 48 11.059 3.220 5.092 1.00 0.00 C ATOM 798 CE LYS A 48 11.662 4.633 5.070 1.00 0.00 C ATOM 799 NZ LYS A 48 12.415 4.851 3.802 1.00 0.00 N ATOM 0 H LYS A 48 7.133 2.871 4.265 1.00 0.00 H new ATOM 0 HA LYS A 48 8.618 1.905 2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.933 1.506 5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.117 0.960 3.911 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.341 3.315 3.049 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.172 3.856 4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.661 3.000 6.083 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.834 2.481 4.889 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.870 5.376 5.164 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.326 4.766 5.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.009 5.700 3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.018 4.026 3.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.744 4.980 3.018 1.00 0.00 H new ATOM 813 N ILE A 49 7.011 -0.329 3.889 1.00 0.00 N ATOM 814 CA ILE A 49 6.457 -1.662 3.833 1.00 0.00 C ATOM 815 C ILE A 49 5.552 -1.770 2.615 1.00 0.00 C ATOM 816 O ILE A 49 5.621 -2.734 1.870 1.00 0.00 O ATOM 817 CB ILE A 49 5.689 -1.992 5.129 1.00 0.00 C ATOM 818 CG1 ILE A 49 6.670 -2.057 6.316 1.00 0.00 C ATOM 819 CG2 ILE A 49 4.984 -3.347 4.990 1.00 0.00 C ATOM 820 CD1 ILE A 49 7.700 -3.180 6.107 1.00 0.00 C ATOM 0 H ILE A 49 6.734 0.218 4.704 1.00 0.00 H new ATOM 0 HA ILE A 49 7.265 -2.388 3.744 1.00 0.00 H new ATOM 0 HB ILE A 49 4.949 -1.211 5.305 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.183 -1.101 6.423 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.119 -2.229 7.241 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.444 -3.572 5.910 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.282 -3.308 4.157 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.724 -4.125 4.804 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.383 -3.209 6.956 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.184 -4.136 6.023 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.264 -2.991 5.194 1.00 0.00 H new ATOM 832 N ALA A 50 4.737 -0.743 2.396 1.00 0.00 N ATOM 833 CA ALA A 50 3.834 -0.720 1.251 1.00 0.00 C ATOM 834 C ALA A 50 4.610 -0.808 -0.060 1.00 0.00 C ATOM 835 O ALA A 50 4.186 -1.487 -0.997 1.00 0.00 O ATOM 836 CB ALA A 50 2.967 0.547 1.264 1.00 0.00 C ATOM 0 H ALA A 50 4.683 0.081 2.994 1.00 0.00 H new ATOM 0 HA ALA A 50 3.182 -1.590 1.327 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.302 0.542 0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.374 0.573 2.178 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.608 1.427 1.222 1.00 0.00 H new ATOM 842 N TYR A 51 5.723 -0.096 -0.148 1.00 0.00 N ATOM 843 CA TYR A 51 6.534 -0.163 -1.354 1.00 0.00 C ATOM 844 C TYR A 51 7.104 -1.563 -1.541 1.00 0.00 C ATOM 845 O TYR A 51 6.979 -2.155 -2.621 1.00 0.00 O ATOM 846 CB TYR A 51 7.666 0.875 -1.335 1.00 0.00 C ATOM 847 CG TYR A 51 7.138 2.222 -1.778 1.00 0.00 C ATOM 848 CD1 TYR A 51 6.838 2.442 -3.130 1.00 0.00 C ATOM 849 CD2 TYR A 51 6.955 3.250 -0.849 1.00 0.00 C ATOM 850 CE1 TYR A 51 6.355 3.687 -3.547 1.00 0.00 C ATOM 851 CE2 TYR A 51 6.472 4.494 -1.265 1.00 0.00 C ATOM 852 CZ TYR A 51 6.172 4.714 -2.612 1.00 0.00 C ATOM 853 OH TYR A 51 5.697 5.943 -3.017 1.00 0.00 O ATOM 0 H TYR A 51 6.079 0.521 0.582 1.00 0.00 H new ATOM 0 HA TYR A 51 5.884 0.069 -2.198 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.084 0.951 -0.331 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.474 0.557 -1.994 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.980 1.650 -3.850 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.187 3.083 0.192 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.124 3.856 -4.588 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.331 5.286 -0.545 1.00 0.00 H new ATOM 0 HH TYR A 51 5.629 6.539 -2.242 1.00 0.00 H new ATOM 863 N TYR A 52 7.703 -2.106 -0.485 1.00 0.00 N ATOM 864 CA TYR A 52 8.255 -3.456 -0.546 1.00 0.00 C ATOM 865 C TYR A 52 7.164 -4.516 -0.598 1.00 0.00 C ATOM 866 O TYR A 52 7.208 -5.420 -1.438 1.00 0.00 O ATOM 867 CB TYR A 52 9.265 -3.705 0.580 1.00 0.00 C ATOM 868 CG TYR A 52 10.523 -2.928 0.256 1.00 0.00 C ATOM 869 CD1 TYR A 52 11.480 -3.471 -0.607 1.00 0.00 C ATOM 870 CD2 TYR A 52 10.717 -1.652 0.790 1.00 0.00 C ATOM 871 CE1 TYR A 52 12.623 -2.737 -0.937 1.00 0.00 C ATOM 872 CE2 TYR A 52 11.862 -0.924 0.469 1.00 0.00 C ATOM 873 CZ TYR A 52 12.815 -1.463 -0.396 1.00 0.00 C ATOM 874 OH TYR A 52 13.927 -0.726 -0.734 1.00 0.00 O ATOM 0 H TYR A 52 7.818 -1.638 0.414 1.00 0.00 H new ATOM 0 HA TYR A 52 8.806 -3.539 -1.483 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.855 -3.385 1.538 1.00 0.00 H new ATOM 0 HB3 TYR A 52 9.485 -4.769 0.667 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.336 -4.459 -1.019 1.00 0.00 H new ATOM 0 HD2 TYR A 52 9.978 -1.228 1.454 1.00 0.00 H new ATOM 0 HE1 TYR A 52 13.357 -3.154 -1.610 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.012 0.059 0.891 1.00 0.00 H new ATOM 0 HH TYR A 52 13.902 0.136 -0.269 1.00 0.00 H new ATOM 884 N LEU A 53 6.127 -4.330 0.201 1.00 0.00 N ATOM 885 CA LEU A 53 4.955 -5.189 0.146 1.00 0.00 C ATOM 886 C LEU A 53 3.977 -4.580 -0.830 1.00 0.00 C ATOM 887 O LEU A 53 3.149 -3.752 -0.449 1.00 0.00 O ATOM 888 CB LEU A 53 4.312 -5.309 1.538 1.00 0.00 C ATOM 889 CG LEU A 53 3.183 -6.344 1.511 1.00 0.00 C ATOM 890 CD1 LEU A 53 3.743 -7.725 1.156 1.00 0.00 C ATOM 891 CD2 LEU A 53 2.508 -6.396 2.882 1.00 0.00 C ATOM 0 H LEU A 53 6.073 -3.588 0.899 1.00 0.00 H new ATOM 0 HA LEU A 53 5.239 -6.190 -0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.065 -5.600 2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.921 -4.341 1.851 1.00 0.00 H new ATOM 0 HG LEU A 53 2.451 -6.056 0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.932 -8.453 1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.215 -7.685 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.481 -8.021 1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.704 -7.132 2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.241 -6.677 3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.097 -5.416 3.122 1.00 0.00 H new ATOM 903 N ASN A 54 4.142 -4.937 -2.101 1.00 0.00 N ATOM 904 CA ASN A 54 3.376 -4.355 -3.208 1.00 0.00 C ATOM 905 C ASN A 54 1.882 -4.280 -2.912 1.00 0.00 C ATOM 906 O ASN A 54 1.093 -5.052 -3.466 1.00 0.00 O ATOM 907 CB ASN A 54 3.613 -5.159 -4.488 1.00 0.00 C ATOM 908 CG ASN A 54 2.920 -4.480 -5.655 1.00 0.00 C ATOM 909 OD1 ASN A 54 3.200 -3.313 -5.951 1.00 0.00 O ATOM 910 ND2 ASN A 54 2.024 -5.124 -6.331 1.00 0.00 N ATOM 0 H ASN A 54 4.815 -5.643 -2.398 1.00 0.00 H new ATOM 0 HA ASN A 54 3.730 -3.333 -3.340 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.682 -5.240 -4.685 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.233 -6.173 -4.367 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.548 -4.669 -7.110 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.794 -6.087 -6.085 1.00 0.00 H new ATOM 917 N THR A 55 1.506 -3.356 -2.054 1.00 0.00 N ATOM 918 CA THR A 55 0.120 -3.169 -1.666 1.00 0.00 C ATOM 919 C THR A 55 -0.105 -1.731 -1.223 1.00 0.00 C ATOM 920 O THR A 55 0.605 -1.233 -0.339 1.00 0.00 O ATOM 921 CB THR A 55 -0.229 -4.111 -0.505 1.00 0.00 C ATOM 922 OG1 THR A 55 0.869 -4.983 -0.255 1.00 0.00 O ATOM 923 CG2 THR A 55 -1.484 -4.925 -0.846 1.00 0.00 C ATOM 0 H THR A 55 2.154 -2.710 -1.603 1.00 0.00 H new ATOM 0 HA THR A 55 -0.516 -3.392 -2.522 1.00 0.00 H new ATOM 0 HB THR A 55 -0.430 -3.521 0.390 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.643 -4.459 0.039 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.723 -5.590 -0.016 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.320 -4.248 -1.021 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.302 -5.516 -1.744 1.00 0.00 H new ATOM 931 N PRO A 56 -1.075 -1.063 -1.776 1.00 0.00 N ATOM 932 CA PRO A 56 -1.404 0.315 -1.319 1.00 0.00 C ATOM 933 C PRO A 56 -1.815 0.287 0.150 1.00 0.00 C ATOM 934 O PRO A 56 -2.529 -0.620 0.578 1.00 0.00 O ATOM 935 CB PRO A 56 -2.599 0.712 -2.206 1.00 0.00 C ATOM 936 CG PRO A 56 -2.478 -0.156 -3.407 1.00 0.00 C ATOM 937 CD PRO A 56 -1.956 -1.483 -2.884 1.00 0.00 C ATOM 0 HA PRO A 56 -0.569 1.011 -1.400 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.546 0.548 -1.692 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.560 1.768 -2.474 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.441 -0.279 -3.903 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.795 0.276 -4.139 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.763 -2.129 -2.539 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.411 -2.035 -3.649 1.00 0.00 H new ATOM 945 N LEU A 57 -1.429 1.298 0.901 1.00 0.00 N ATOM 946 CA LEU A 57 -1.816 1.375 2.301 1.00 0.00 C ATOM 947 C LEU A 57 -3.329 1.478 2.401 1.00 0.00 C ATOM 948 O LEU A 57 -3.955 0.850 3.252 1.00 0.00 O ATOM 949 CB LEU A 57 -1.151 2.570 2.989 1.00 0.00 C ATOM 950 CG LEU A 57 0.367 2.336 3.056 1.00 0.00 C ATOM 951 CD1 LEU A 57 1.052 3.551 3.675 1.00 0.00 C ATOM 952 CD2 LEU A 57 0.671 1.091 3.901 1.00 0.00 C ATOM 0 H LEU A 57 -0.853 2.073 0.573 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.481 0.471 2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.366 3.487 2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.556 2.698 3.993 1.00 0.00 H new ATOM 0 HG LEU A 57 0.744 2.184 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.127 3.379 3.720 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.850 4.432 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.668 3.711 4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.749 0.934 3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.286 1.234 4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.194 0.220 3.451 1.00 0.00 H new ATOM 964 N GLU A 58 -3.920 2.224 1.483 1.00 0.00 N ATOM 965 CA GLU A 58 -5.368 2.356 1.440 1.00 0.00 C ATOM 966 C GLU A 58 -6.028 0.984 1.335 1.00 0.00 C ATOM 967 O GLU A 58 -7.187 0.814 1.746 1.00 0.00 O ATOM 968 CB GLU A 58 -5.800 3.229 0.256 1.00 0.00 C ATOM 969 CG GLU A 58 -5.118 2.734 -1.028 1.00 0.00 C ATOM 970 CD GLU A 58 -6.155 2.199 -1.985 1.00 0.00 C ATOM 971 OE1 GLU A 58 -6.604 1.100 -1.781 1.00 0.00 O ATOM 972 OE2 GLU A 58 -6.502 2.898 -2.904 1.00 0.00 O ATOM 0 H GLU A 58 -3.423 2.745 0.761 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.689 2.835 2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.883 3.193 0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.534 4.269 0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.566 3.550 -1.495 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.394 1.955 -0.789 1.00 0.00 H new ATOM 979 N ASP A 59 -5.298 0.021 0.763 1.00 0.00 N ATOM 980 CA ASP A 59 -5.806 -1.339 0.592 1.00 0.00 C ATOM 981 C ASP A 59 -6.055 -1.976 1.940 1.00 0.00 C ATOM 982 O ASP A 59 -7.003 -2.741 2.113 1.00 0.00 O ATOM 983 CB ASP A 59 -4.816 -2.203 -0.198 1.00 0.00 C ATOM 984 CG ASP A 59 -5.486 -3.488 -0.639 1.00 0.00 C ATOM 985 OD1 ASP A 59 -6.353 -3.420 -1.486 1.00 0.00 O ATOM 986 OD2 ASP A 59 -5.131 -4.528 -0.131 1.00 0.00 O ATOM 0 H ASP A 59 -4.351 0.161 0.411 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.741 -1.277 0.035 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.456 -1.654 -1.068 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.946 -2.430 0.419 1.00 0.00 H new ATOM 991 N ILE A 60 -5.202 -1.661 2.895 1.00 0.00 N ATOM 992 CA ILE A 60 -5.347 -2.188 4.238 1.00 0.00 C ATOM 993 C ILE A 60 -6.608 -1.602 4.855 1.00 0.00 C ATOM 994 O ILE A 60 -7.379 -2.297 5.517 1.00 0.00 O ATOM 995 CB ILE A 60 -4.090 -1.881 5.106 1.00 0.00 C ATOM 996 CG1 ILE A 60 -4.278 -0.596 5.939 1.00 0.00 C ATOM 997 CG2 ILE A 60 -2.853 -1.715 4.214 1.00 0.00 C ATOM 998 CD1 ILE A 60 -3.001 -0.312 6.732 1.00 0.00 C ATOM 0 H ILE A 60 -4.401 -1.043 2.766 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.436 -3.274 4.196 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.952 -2.723 5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.507 0.245 5.284 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.123 -0.710 6.618 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.983 -1.501 4.835 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.682 -2.635 3.654 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.014 -0.891 3.518 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.133 0.596 7.321 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.792 -1.149 7.398 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.167 -0.180 6.043 1.00 0.00 H new ATOM 1010 N PHE A 61 -6.821 -0.318 4.583 1.00 0.00 N ATOM 1011 CA PHE A 61 -8.000 0.421 5.035 1.00 0.00 C ATOM 1012 C PHE A 61 -7.784 1.067 6.389 1.00 0.00 C ATOM 1013 O PHE A 61 -7.012 0.578 7.210 1.00 0.00 O ATOM 1014 CB PHE A 61 -9.271 -0.450 5.048 1.00 0.00 C ATOM 1015 CG PHE A 61 -10.479 0.413 4.754 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -10.716 0.871 3.450 1.00 0.00 C ATOM 1017 CD2 PHE A 61 -11.360 0.761 5.785 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -11.829 1.672 3.177 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -12.472 1.563 5.512 1.00 0.00 C ATOM 1020 CZ PHE A 61 -12.708 2.019 4.210 1.00 0.00 C ATOM 0 H PHE A 61 -6.172 0.248 4.035 1.00 0.00 H new ATOM 0 HA PHE A 61 -8.152 1.215 4.304 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.188 -1.243 4.305 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.384 -0.933 6.019 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -10.037 0.604 2.654 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -11.181 0.410 6.791 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -12.010 2.022 2.172 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -13.151 1.831 6.308 1.00 0.00 H new ATOM 0 HZ PHE A 61 -13.568 2.638 4.002 1.00 0.00 H new