USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 469 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 ASN : amide:sc= -4.55! K(o=-8.7!,f=-4) USER MOD Set 1.2: A 52 ASN : amide:sc= -4.14! C(o=-8.7!,f=-12!) USER MOD Set 2.1: A 40 GLN : amide:sc= -0.252 X(o=0.44,f=0.23) USER MOD Set 2.2: A 43 ASN : amide:sc= 0.696 K(o=0.44,f=-0.25) USER MOD Set 3.1: A 26 GLN : amide:sc= -1.12 K(o=-5.7,f=-4.5) USER MOD Set 3.2: A 55 GLN : amide:sc= -4.57! C(o=-5.7!,f=-4.5!) USER MOD Single : A 1 VAL N :NH3+ 139:sc= 0.0538 (180deg=-0.286) USER MOD Single : A 3 ASN : amide:sc= -0.084 X(o=-0.084,f=-0.0069) USER MOD Single : A 4 LYS NZ :NH3+ -168:sc=-0.00512 (180deg=-0.198) USER MOD Single : A 6 ASN : amide:sc= -0.0224 K(o=-0.022,f=-3.6!) USER MOD Single : A 7 LYS NZ :NH3+ 157:sc= -0.807 (180deg=-1.91!) USER MOD Single : A 17 MET CE :methyl 173:sc= -9.71! (180deg=-10.1!) USER MOD Single : A 23 ASN : amide:sc= -1.25 K(o=-1.2,f=-11!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.536 K(o=-0.54,f=-2.1!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -1.52! USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= 0.187 (180deg=0.126) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= -0.411 (180deg=-0.411) USER MOD Single : A 58 LYS NZ :NH3+ -165:sc= -0.0206 (180deg=-0.291) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -2.406 -13.420 19.094 1.00 0.00 N ATOM 2 CA VAL A 1 -1.879 -13.883 17.777 1.00 0.00 C ATOM 3 C VAL A 1 -2.480 -13.028 16.660 1.00 0.00 C ATOM 4 O VAL A 1 -3.561 -12.455 16.818 1.00 0.00 O ATOM 5 CB VAL A 1 -2.233 -15.372 17.582 1.00 0.00 C ATOM 6 CG1 VAL A 1 -3.758 -15.553 17.489 1.00 0.00 C ATOM 7 CG2 VAL A 1 -1.577 -15.903 16.297 1.00 0.00 C ATOM 0 H1 VAL A 1 -2.619 -14.244 19.692 1.00 0.00 H new ATOM 0 H2 VAL A 1 -1.693 -12.827 19.564 1.00 0.00 H new ATOM 0 H3 VAL A 1 -3.274 -12.866 18.945 1.00 0.00 H new ATOM 0 HA VAL A 1 -0.795 -13.776 17.748 1.00 0.00 H new ATOM 0 HB VAL A 1 -1.860 -15.931 18.440 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -3.991 -16.609 17.352 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -4.224 -15.195 18.407 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -4.141 -14.984 16.642 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -1.832 -16.955 16.166 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -1.939 -15.333 15.441 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -0.495 -15.798 16.371 1.00 0.00 H new ATOM 19 N ASP A 2 -1.767 -12.953 15.534 1.00 0.00 N ATOM 20 CA ASP A 2 -2.221 -12.174 14.383 1.00 0.00 C ATOM 21 C ASP A 2 -1.872 -12.897 13.083 1.00 0.00 C ATOM 22 O ASP A 2 -0.916 -13.674 13.030 1.00 0.00 O ATOM 23 CB ASP A 2 -1.564 -10.786 14.393 1.00 0.00 C ATOM 24 CG ASP A 2 -2.181 -9.897 13.308 1.00 0.00 C ATOM 25 OD1 ASP A 2 -3.191 -9.272 13.584 1.00 0.00 O ATOM 26 OD2 ASP A 2 -1.635 -9.856 12.217 1.00 0.00 O ATOM 0 H ASP A 2 -0.872 -13.423 15.396 1.00 0.00 H new ATOM 0 HA ASP A 2 -3.303 -12.060 14.447 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.694 -10.322 15.371 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.491 -10.883 14.227 1.00 0.00 H new ATOM 31 N ASN A 3 -2.652 -12.622 12.040 1.00 0.00 N ATOM 32 CA ASN A 3 -2.431 -13.231 10.729 1.00 0.00 C ATOM 33 C ASN A 3 -1.158 -12.672 10.090 1.00 0.00 C ATOM 34 O ASN A 3 -0.479 -11.826 10.674 1.00 0.00 O ATOM 35 CB ASN A 3 -3.631 -12.950 9.816 1.00 0.00 C ATOM 36 CG ASN A 3 -4.926 -13.426 10.473 1.00 0.00 C ATOM 37 OD1 ASN A 3 -5.912 -12.691 10.507 1.00 0.00 O ATOM 38 ND2 ASN A 3 -4.984 -14.620 10.997 1.00 0.00 N ATOM 0 H ASN A 3 -3.444 -11.980 12.077 1.00 0.00 H new ATOM 0 HA ASN A 3 -2.318 -14.307 10.859 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -3.694 -11.882 9.606 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -3.494 -13.455 8.860 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -5.847 -14.944 11.435 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -4.167 -15.230 10.969 1.00 0.00 H new ATOM 45 N LYS A 4 -0.842 -13.144 8.884 1.00 0.00 N ATOM 46 CA LYS A 4 0.351 -12.671 8.178 1.00 0.00 C ATOM 47 C LYS A 4 0.094 -11.302 7.561 1.00 0.00 C ATOM 48 O LYS A 4 0.935 -10.766 6.832 1.00 0.00 O ATOM 49 CB LYS A 4 0.756 -13.660 7.078 1.00 0.00 C ATOM 50 CG LYS A 4 1.048 -15.035 7.691 1.00 0.00 C ATOM 51 CD LYS A 4 1.571 -15.986 6.606 1.00 0.00 C ATOM 52 CE LYS A 4 1.739 -17.396 7.185 1.00 0.00 C ATOM 53 NZ LYS A 4 2.829 -17.394 8.201 1.00 0.00 N ATOM 0 H LYS A 4 -1.386 -13.844 8.380 1.00 0.00 H new ATOM 0 HA LYS A 4 1.163 -12.593 8.901 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.042 -13.743 6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.638 -13.292 6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.784 -14.939 8.489 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.142 -15.443 8.140 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.878 -16.009 5.765 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.525 -15.625 6.223 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.805 -17.727 7.640 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.973 -18.102 6.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.080 -18.374 8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.663 -16.908 7.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.506 -16.898 9.056 1.00 0.00 H new ATOM 67 N PHE A 5 -1.082 -10.752 7.854 1.00 0.00 N ATOM 68 CA PHE A 5 -1.477 -9.456 7.330 1.00 0.00 C ATOM 69 C PHE A 5 -0.481 -8.373 7.687 1.00 0.00 C ATOM 70 O PHE A 5 0.027 -7.682 6.817 1.00 0.00 O ATOM 71 CB PHE A 5 -2.782 -9.019 7.984 1.00 0.00 C ATOM 72 CG PHE A 5 -3.994 -9.648 7.353 1.00 0.00 C ATOM 73 CD1 PHE A 5 -4.029 -11.023 7.080 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.104 -8.842 7.068 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.181 -11.582 6.513 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.249 -9.402 6.508 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.291 -10.768 6.228 1.00 0.00 C ATOM 0 H PHE A 5 -1.779 -11.191 8.456 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.554 -9.572 6.249 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.755 -9.276 9.043 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.868 -7.934 7.922 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.175 -11.645 7.305 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.071 -7.784 7.283 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.217 -12.639 6.295 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.104 -8.779 6.290 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.179 -11.201 5.791 1.00 0.00 H new ATOM 87 N ASN A 6 -0.251 -8.213 8.991 1.00 0.00 N ATOM 88 CA ASN A 6 0.634 -7.169 9.484 1.00 0.00 C ATOM 89 C ASN A 6 2.018 -7.272 8.883 1.00 0.00 C ATOM 90 O ASN A 6 2.555 -6.281 8.416 1.00 0.00 O ATOM 91 CB ASN A 6 0.743 -7.253 11.004 1.00 0.00 C ATOM 92 CG ASN A 6 -0.608 -6.967 11.666 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.547 -6.506 11.011 1.00 0.00 O ATOM 94 ND2 ASN A 6 -0.760 -7.208 12.937 1.00 0.00 N ATOM 0 H ASN A 6 -0.666 -8.794 9.719 1.00 0.00 H new ATOM 0 HA ASN A 6 0.204 -6.212 9.189 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.091 -8.244 11.293 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.485 -6.538 11.359 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.654 -7.016 13.389 1.00 0.00 H new ATOM 0 HD22 ASN A 6 0.015 -7.589 13.480 1.00 0.00 H new ATOM 101 N LYS A 7 2.574 -8.476 8.877 1.00 0.00 N ATOM 102 CA LYS A 7 3.897 -8.699 8.320 1.00 0.00 C ATOM 103 C LYS A 7 3.930 -8.281 6.859 1.00 0.00 C ATOM 104 O LYS A 7 4.865 -7.607 6.425 1.00 0.00 O ATOM 105 CB LYS A 7 4.246 -10.175 8.489 1.00 0.00 C ATOM 106 CG LYS A 7 5.705 -10.456 8.088 1.00 0.00 C ATOM 107 CD LYS A 7 5.818 -10.683 6.573 1.00 0.00 C ATOM 108 CE LYS A 7 4.951 -11.874 6.131 1.00 0.00 C ATOM 109 NZ LYS A 7 3.786 -11.376 5.344 1.00 0.00 N ATOM 0 H LYS A 7 2.127 -9.313 9.252 1.00 0.00 H new ATOM 0 HA LYS A 7 4.638 -8.095 8.844 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.088 -10.471 9.526 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.576 -10.781 7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.336 -9.618 8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.071 -11.334 8.621 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.506 -9.784 6.042 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.859 -10.866 6.305 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.542 -12.564 5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.604 -12.428 7.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.430 -12.137 4.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.033 -11.072 5.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.082 -10.570 4.757 1.00 0.00 H new ATOM 123 N GLU A 8 2.893 -8.651 6.115 1.00 0.00 N ATOM 124 CA GLU A 8 2.810 -8.285 4.709 1.00 0.00 C ATOM 125 C GLU A 8 2.526 -6.793 4.585 1.00 0.00 C ATOM 126 O GLU A 8 3.021 -6.118 3.683 1.00 0.00 O ATOM 127 CB GLU A 8 1.692 -9.100 4.053 1.00 0.00 C ATOM 128 CG GLU A 8 1.759 -8.952 2.531 1.00 0.00 C ATOM 129 CD GLU A 8 3.028 -9.599 1.954 1.00 0.00 C ATOM 130 OE1 GLU A 8 3.498 -10.578 2.518 1.00 0.00 O ATOM 131 OE2 GLU A 8 3.505 -9.107 0.945 1.00 0.00 O ATOM 0 H GLU A 8 2.105 -9.199 6.460 1.00 0.00 H new ATOM 0 HA GLU A 8 3.754 -8.500 4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.787 -10.150 4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.722 -8.761 4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.879 -9.412 2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.737 -7.895 2.267 1.00 0.00 H new ATOM 138 N ARG A 9 1.723 -6.306 5.521 1.00 0.00 N ATOM 139 CA ARG A 9 1.332 -4.916 5.587 1.00 0.00 C ATOM 140 C ARG A 9 2.497 -4.020 5.953 1.00 0.00 C ATOM 141 O ARG A 9 2.544 -2.900 5.503 1.00 0.00 O ATOM 142 CB ARG A 9 0.183 -4.729 6.583 1.00 0.00 C ATOM 143 CG ARG A 9 -1.125 -5.195 5.932 1.00 0.00 C ATOM 144 CD ARG A 9 -2.198 -5.444 6.992 1.00 0.00 C ATOM 145 NE ARG A 9 -2.660 -4.180 7.555 1.00 0.00 N ATOM 146 CZ ARG A 9 -3.623 -4.143 8.469 1.00 0.00 C ATOM 147 NH1 ARG A 9 -3.488 -4.801 9.586 1.00 0.00 N ATOM 148 NH2 ARG A 9 -4.702 -3.448 8.248 1.00 0.00 N ATOM 0 H ARG A 9 1.322 -6.879 6.264 1.00 0.00 H new ATOM 0 HA ARG A 9 0.992 -4.625 4.593 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.376 -5.300 7.491 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.105 -3.682 6.876 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.473 -4.442 5.225 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.949 -6.109 5.364 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.037 -5.981 6.550 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.796 -6.077 7.783 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.235 -3.308 7.241 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.642 -5.345 9.759 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.228 -4.772 10.288 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.807 -2.933 7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.442 -3.419 8.949 1.00 0.00 H new ATOM 162 N VAL A 10 3.426 -4.508 6.780 1.00 0.00 N ATOM 163 CA VAL A 10 4.574 -3.689 7.185 1.00 0.00 C ATOM 164 C VAL A 10 5.375 -3.359 5.957 1.00 0.00 C ATOM 165 O VAL A 10 5.766 -2.218 5.705 1.00 0.00 O ATOM 166 CB VAL A 10 5.539 -4.425 8.133 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.599 -3.425 8.636 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.803 -5.054 9.321 1.00 0.00 C ATOM 0 H VAL A 10 3.409 -5.448 7.176 1.00 0.00 H new ATOM 0 HA VAL A 10 4.170 -2.815 7.696 1.00 0.00 H new ATOM 0 HB VAL A 10 6.014 -5.237 7.582 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.289 -3.934 9.309 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.151 -3.022 7.787 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.107 -2.611 9.168 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.520 -5.563 9.965 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.295 -4.274 9.889 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.069 -5.773 8.955 1.00 0.00 H new ATOM 178 N ILE A 11 5.619 -4.410 5.215 1.00 0.00 N ATOM 179 CA ILE A 11 6.373 -4.335 4.005 1.00 0.00 C ATOM 180 C ILE A 11 5.656 -3.434 3.020 1.00 0.00 C ATOM 181 O ILE A 11 6.249 -2.549 2.413 1.00 0.00 O ATOM 182 CB ILE A 11 6.475 -5.751 3.432 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.150 -6.681 4.457 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.274 -5.738 2.129 1.00 0.00 C ATOM 185 CD1 ILE A 11 6.937 -8.140 4.039 1.00 0.00 C ATOM 0 H ILE A 11 5.293 -5.349 5.443 1.00 0.00 H new ATOM 0 HA ILE A 11 7.367 -3.928 4.193 1.00 0.00 H new ATOM 0 HB ILE A 11 5.471 -6.121 3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.216 -6.461 4.518 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.732 -6.511 5.449 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.339 -6.751 1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.776 -5.095 1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.278 -5.359 2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.414 -8.800 4.764 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.869 -8.355 4.001 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.376 -8.304 3.055 1.00 0.00 H new ATOM 197 N ALA A 12 4.370 -3.705 2.872 1.00 0.00 N ATOM 198 CA ALA A 12 3.516 -2.985 1.949 1.00 0.00 C ATOM 199 C ALA A 12 3.218 -1.555 2.375 1.00 0.00 C ATOM 200 O ALA A 12 3.343 -0.637 1.570 1.00 0.00 O ATOM 201 CB ALA A 12 2.225 -3.752 1.843 1.00 0.00 C ATOM 0 H ALA A 12 3.888 -4.437 3.394 1.00 0.00 H new ATOM 0 HA ALA A 12 4.039 -2.910 0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.553 -3.240 1.154 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.428 -4.757 1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.758 -3.816 2.826 1.00 0.00 H new ATOM 207 N ILE A 13 2.837 -1.358 3.634 1.00 0.00 N ATOM 208 CA ILE A 13 2.554 -0.024 4.120 1.00 0.00 C ATOM 209 C ILE A 13 3.825 0.786 4.005 1.00 0.00 C ATOM 210 O ILE A 13 3.809 1.949 3.642 1.00 0.00 O ATOM 211 CB ILE A 13 2.082 -0.062 5.588 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.526 1.324 5.966 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.253 -0.450 6.518 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.927 1.705 7.389 1.00 0.00 C ATOM 0 H ILE A 13 2.720 -2.100 4.324 1.00 0.00 H new ATOM 0 HA ILE A 13 1.755 0.425 3.529 1.00 0.00 H new ATOM 0 HB ILE A 13 1.299 -0.812 5.704 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.899 2.072 5.267 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.439 1.320 5.879 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.905 -0.473 7.551 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.628 -1.435 6.239 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.053 0.284 6.421 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.522 2.688 7.630 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.532 0.968 8.088 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.014 1.732 7.466 1.00 0.00 H new ATOM 226 N GLY A 14 4.929 0.117 4.294 1.00 0.00 N ATOM 227 CA GLY A 14 6.227 0.721 4.218 1.00 0.00 C ATOM 228 C GLY A 14 6.533 1.070 2.767 1.00 0.00 C ATOM 229 O GLY A 14 7.126 2.115 2.486 1.00 0.00 O ATOM 0 H GLY A 14 4.939 -0.860 4.587 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.260 1.619 4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.982 0.038 4.607 1.00 0.00 H new ATOM 233 N GLU A 15 6.102 0.194 1.839 1.00 0.00 N ATOM 234 CA GLU A 15 6.325 0.445 0.421 1.00 0.00 C ATOM 235 C GLU A 15 5.438 1.587 -0.064 1.00 0.00 C ATOM 236 O GLU A 15 5.880 2.482 -0.784 1.00 0.00 O ATOM 237 CB GLU A 15 5.923 -0.788 -0.403 1.00 0.00 C ATOM 238 CG GLU A 15 6.885 -1.962 -0.195 1.00 0.00 C ATOM 239 CD GLU A 15 7.624 -2.268 -1.501 1.00 0.00 C ATOM 240 OE1 GLU A 15 8.540 -1.531 -1.828 1.00 0.00 O ATOM 241 OE2 GLU A 15 7.255 -3.226 -2.162 1.00 0.00 O ATOM 0 H GLU A 15 5.608 -0.674 2.049 1.00 0.00 H new ATOM 0 HA GLU A 15 7.381 0.684 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.914 -1.094 -0.127 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.898 -0.524 -1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.601 -1.722 0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.333 -2.842 0.135 1.00 0.00 H new ATOM 248 N ILE A 16 4.167 1.504 0.319 1.00 0.00 N ATOM 249 CA ILE A 16 3.169 2.478 -0.081 1.00 0.00 C ATOM 250 C ILE A 16 3.347 3.841 0.591 1.00 0.00 C ATOM 251 O ILE A 16 3.161 4.883 -0.038 1.00 0.00 O ATOM 252 CB ILE A 16 1.781 1.869 0.134 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.600 0.822 -0.968 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.645 2.913 0.048 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.433 -0.087 -0.655 1.00 0.00 C ATOM 0 H ILE A 16 3.805 0.759 0.914 1.00 0.00 H new ATOM 0 HA ILE A 16 3.296 2.699 -1.141 1.00 0.00 H new ATOM 0 HB ILE A 16 1.723 1.443 1.136 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.435 1.318 -1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.511 0.231 -1.069 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.314 2.421 0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.794 3.676 0.812 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.653 3.379 -0.937 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.322 -0.824 -1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.614 -0.599 0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.479 0.505 -0.579 1.00 0.00 H new ATOM 267 N MET A 17 3.697 3.829 1.866 1.00 0.00 N ATOM 268 CA MET A 17 3.895 5.070 2.610 1.00 0.00 C ATOM 269 C MET A 17 5.081 5.858 2.039 1.00 0.00 C ATOM 270 O MET A 17 5.175 7.073 2.225 1.00 0.00 O ATOM 271 CB MET A 17 4.097 4.763 4.102 1.00 0.00 C ATOM 272 CG MET A 17 2.752 4.350 4.727 1.00 0.00 C ATOM 273 SD MET A 17 1.611 5.751 4.787 1.00 0.00 S ATOM 274 CE MET A 17 0.074 4.784 4.707 1.00 0.00 C ATOM 0 H MET A 17 3.850 2.980 2.409 1.00 0.00 H new ATOM 0 HA MET A 17 3.005 5.690 2.507 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.828 3.964 4.224 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.495 5.639 4.614 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.310 3.540 4.146 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.917 3.967 5.734 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.780 5.445 4.856 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.004 4.304 3.731 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.083 4.022 5.486 1.00 0.00 H new ATOM 284 N ARG A 18 5.971 5.155 1.327 1.00 0.00 N ATOM 285 CA ARG A 18 7.139 5.779 0.707 1.00 0.00 C ATOM 286 C ARG A 18 6.713 6.679 -0.452 1.00 0.00 C ATOM 287 O ARG A 18 7.322 7.721 -0.700 1.00 0.00 O ATOM 288 CB ARG A 18 8.079 4.682 0.191 1.00 0.00 C ATOM 289 CG ARG A 18 9.305 5.300 -0.493 1.00 0.00 C ATOM 290 CD ARG A 18 10.185 4.185 -1.060 1.00 0.00 C ATOM 291 NE ARG A 18 11.404 4.744 -1.639 1.00 0.00 N ATOM 292 CZ ARG A 18 12.452 5.049 -0.883 1.00 0.00 C ATOM 293 NH1 ARG A 18 12.541 6.227 -0.337 1.00 0.00 N ATOM 294 NH2 ARG A 18 13.391 4.167 -0.687 1.00 0.00 N ATOM 0 H ARG A 18 5.901 4.150 1.168 1.00 0.00 H new ATOM 0 HA ARG A 18 7.653 6.390 1.449 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.398 4.050 1.019 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.547 4.041 -0.513 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.990 5.972 -1.292 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.871 5.898 0.221 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.441 3.478 -0.271 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.635 3.630 -1.820 1.00 0.00 H new ATOM 0 HE ARG A 18 11.451 4.903 -2.645 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.805 6.917 -0.490 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.346 6.460 0.244 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.320 3.243 -1.114 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.197 4.400 -0.106 1.00 0.00 H new ATOM 308 N LEU A 19 5.678 6.231 -1.163 1.00 0.00 N ATOM 309 CA LEU A 19 5.141 6.929 -2.327 1.00 0.00 C ATOM 310 C LEU A 19 5.020 8.444 -2.095 1.00 0.00 C ATOM 311 O LEU A 19 4.129 8.901 -1.375 1.00 0.00 O ATOM 312 CB LEU A 19 3.788 6.303 -2.669 1.00 0.00 C ATOM 313 CG LEU A 19 3.978 4.776 -2.797 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.651 4.076 -3.091 1.00 0.00 C ATOM 315 CD2 LEU A 19 4.995 4.488 -3.905 1.00 0.00 C ATOM 0 H LEU A 19 5.186 5.365 -0.943 1.00 0.00 H new ATOM 0 HA LEU A 19 5.829 6.816 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.057 6.531 -1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.403 6.717 -3.601 1.00 0.00 H new ATOM 0 HG LEU A 19 4.350 4.386 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.817 3.002 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.949 4.272 -2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.240 4.454 -4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.134 3.411 -4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.629 4.892 -4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.947 4.956 -3.655 1.00 0.00 H new ATOM 327 N PRO A 20 5.928 9.220 -2.672 1.00 0.00 N ATOM 328 CA PRO A 20 5.961 10.706 -2.509 1.00 0.00 C ATOM 329 C PRO A 20 4.904 11.454 -3.325 1.00 0.00 C ATOM 330 O PRO A 20 4.642 12.627 -3.050 1.00 0.00 O ATOM 331 CB PRO A 20 7.360 11.121 -3.003 1.00 0.00 C ATOM 332 CG PRO A 20 8.061 9.878 -3.454 1.00 0.00 C ATOM 333 CD PRO A 20 7.026 8.764 -3.543 1.00 0.00 C ATOM 0 HA PRO A 20 5.750 10.960 -1.470 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.282 11.836 -3.822 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.920 11.610 -2.205 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.535 10.037 -4.423 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.851 9.610 -2.753 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.686 8.617 -4.568 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.435 7.812 -3.203 1.00 0.00 H new ATOM 341 N ASN A 21 4.322 10.807 -4.341 1.00 0.00 N ATOM 342 CA ASN A 21 3.331 11.500 -5.176 1.00 0.00 C ATOM 343 C ASN A 21 1.950 11.432 -4.559 1.00 0.00 C ATOM 344 O ASN A 21 1.334 12.462 -4.283 1.00 0.00 O ATOM 345 CB ASN A 21 3.312 10.912 -6.599 1.00 0.00 C ATOM 346 CG ASN A 21 4.378 11.598 -7.441 1.00 0.00 C ATOM 347 OD1 ASN A 21 4.309 12.805 -7.679 1.00 0.00 O ATOM 348 ND2 ASN A 21 5.368 10.901 -7.898 1.00 0.00 N ATOM 0 H ASN A 21 4.510 9.839 -4.600 1.00 0.00 H new ATOM 0 HA ASN A 21 3.623 12.548 -5.236 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.496 9.838 -6.564 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.330 11.053 -7.050 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.093 11.351 -8.457 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.423 9.902 -7.700 1.00 0.00 H new ATOM 355 N LEU A 22 1.481 10.213 -4.362 1.00 0.00 N ATOM 356 CA LEU A 22 0.158 9.957 -3.799 1.00 0.00 C ATOM 357 C LEU A 22 -0.186 10.860 -2.637 1.00 0.00 C ATOM 358 O LEU A 22 0.679 11.262 -1.856 1.00 0.00 O ATOM 359 CB LEU A 22 0.108 8.526 -3.293 1.00 0.00 C ATOM 360 CG LEU A 22 0.252 7.577 -4.469 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.844 6.258 -3.990 1.00 0.00 C ATOM 362 CD2 LEU A 22 -1.122 7.344 -5.089 1.00 0.00 C ATOM 0 H LEU A 22 2.005 9.367 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.560 10.146 -4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.907 8.354 -2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.834 8.343 -2.775 1.00 0.00 H new ATOM 0 HG LEU A 22 0.917 8.008 -5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.947 5.577 -4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.824 6.438 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.185 5.813 -3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.029 6.663 -5.935 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.788 6.908 -4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.533 8.294 -5.431 1.00 0.00 H new ATOM 374 N ASN A 23 -1.481 11.091 -2.492 1.00 0.00 N ATOM 375 CA ASN A 23 -1.987 11.862 -1.378 1.00 0.00 C ATOM 376 C ASN A 23 -2.139 10.887 -0.243 1.00 0.00 C ATOM 377 O ASN A 23 -2.263 9.680 -0.477 1.00 0.00 O ATOM 378 CB ASN A 23 -3.328 12.520 -1.731 1.00 0.00 C ATOM 379 CG ASN A 23 -4.187 11.566 -2.553 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.883 10.729 -1.996 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.165 11.638 -3.856 1.00 0.00 N ATOM 0 H ASN A 23 -2.198 10.754 -3.134 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.312 12.675 -1.113 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.855 12.799 -0.819 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.154 13.438 -2.292 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.729 10.995 -4.412 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.584 12.337 -4.318 1.00 0.00 H new ATOM 388 N SER A 24 -2.102 11.382 0.973 1.00 0.00 N ATOM 389 CA SER A 24 -2.206 10.506 2.117 1.00 0.00 C ATOM 390 C SER A 24 -3.407 9.581 1.978 1.00 0.00 C ATOM 391 O SER A 24 -3.345 8.441 2.382 1.00 0.00 O ATOM 392 CB SER A 24 -2.321 11.303 3.397 1.00 0.00 C ATOM 393 OG SER A 24 -1.210 12.184 3.509 1.00 0.00 O ATOM 0 H SER A 24 -2.002 12.373 1.194 1.00 0.00 H new ATOM 0 HA SER A 24 -1.298 9.904 2.159 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.251 11.871 3.402 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.354 10.631 4.255 1.00 0.00 H new ATOM 0 HG SER A 24 -1.285 12.702 4.338 1.00 0.00 H new ATOM 399 N LEU A 25 -4.492 10.072 1.388 1.00 0.00 N ATOM 400 CA LEU A 25 -5.685 9.255 1.207 1.00 0.00 C ATOM 401 C LEU A 25 -5.381 8.059 0.345 1.00 0.00 C ATOM 402 O LEU A 25 -5.737 6.958 0.710 1.00 0.00 O ATOM 403 CB LEU A 25 -6.787 10.055 0.531 1.00 0.00 C ATOM 404 CG LEU A 25 -7.332 11.163 1.443 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.265 12.230 1.720 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.499 11.826 0.725 1.00 0.00 C ATOM 0 H LEU A 25 -4.569 11.024 1.030 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.012 8.932 2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.403 10.498 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.599 9.386 0.247 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.637 10.724 2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.681 13.001 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.407 11.768 2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.947 12.680 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.908 12.620 1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.153 12.249 -0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.273 11.085 0.527 1.00 0.00 H new ATOM 418 N GLN A 26 -4.710 8.278 -0.786 1.00 0.00 N ATOM 419 CA GLN A 26 -4.356 7.178 -1.658 1.00 0.00 C ATOM 420 C GLN A 26 -3.395 6.274 -0.941 1.00 0.00 C ATOM 421 O GLN A 26 -3.546 5.062 -0.933 1.00 0.00 O ATOM 422 CB GLN A 26 -3.703 7.688 -2.919 1.00 0.00 C ATOM 423 CG GLN A 26 -4.773 8.244 -3.853 1.00 0.00 C ATOM 424 CD GLN A 26 -5.586 7.104 -4.461 1.00 0.00 C ATOM 425 OE1 GLN A 26 -6.763 6.939 -4.142 1.00 0.00 O ATOM 426 NE2 GLN A 26 -5.022 6.299 -5.319 1.00 0.00 N ATOM 0 H GLN A 26 -4.408 9.197 -1.110 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.263 6.635 -1.925 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.976 8.464 -2.677 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.158 6.883 -3.411 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.431 8.917 -3.304 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.306 8.830 -4.645 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.046 6.437 -5.583 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.557 5.532 -5.726 1.00 0.00 H new ATOM 435 N VAL A 27 -2.434 6.908 -0.298 1.00 0.00 N ATOM 436 CA VAL A 27 -1.434 6.211 0.474 1.00 0.00 C ATOM 437 C VAL A 27 -2.146 5.356 1.513 1.00 0.00 C ATOM 438 O VAL A 27 -1.821 4.188 1.720 1.00 0.00 O ATOM 439 CB VAL A 27 -0.561 7.290 1.146 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.225 6.745 2.331 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.418 7.878 0.122 1.00 0.00 C ATOM 0 H VAL A 27 -2.328 7.922 -0.299 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.810 5.559 -0.138 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.234 8.062 1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.823 7.544 2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.467 6.358 3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.882 5.943 1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.032 8.640 0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.059 7.086 -0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.141 8.327 -0.699 1.00 0.00 H new ATOM 451 N VAL A 28 -3.146 5.963 2.124 1.00 0.00 N ATOM 452 CA VAL A 28 -3.975 5.298 3.119 1.00 0.00 C ATOM 453 C VAL A 28 -4.907 4.297 2.470 1.00 0.00 C ATOM 454 O VAL A 28 -5.208 3.243 3.028 1.00 0.00 O ATOM 455 CB VAL A 28 -4.706 6.314 3.974 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.525 5.582 5.042 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.641 7.165 4.661 1.00 0.00 C ATOM 0 H VAL A 28 -3.409 6.932 1.946 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.330 4.729 3.788 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.375 6.926 3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.052 6.310 5.659 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.248 4.925 4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.859 4.990 5.669 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.123 7.913 5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.007 6.527 5.277 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.031 7.663 3.907 1.00 0.00 H new ATOM 467 N ALA A 29 -5.357 4.655 1.280 1.00 0.00 N ATOM 468 CA ALA A 29 -6.253 3.829 0.504 1.00 0.00 C ATOM 469 C ALA A 29 -5.624 2.482 0.351 1.00 0.00 C ATOM 470 O ALA A 29 -6.283 1.444 0.430 1.00 0.00 O ATOM 471 CB ALA A 29 -6.408 4.440 -0.877 1.00 0.00 C ATOM 0 H ALA A 29 -5.107 5.533 0.826 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.223 3.754 0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.083 3.825 -1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.818 5.446 -0.786 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.434 4.488 -1.365 1.00 0.00 H new ATOM 477 N PHE A 30 -4.321 2.526 0.161 1.00 0.00 N ATOM 478 CA PHE A 30 -3.560 1.348 0.030 1.00 0.00 C ATOM 479 C PHE A 30 -3.481 0.641 1.337 1.00 0.00 C ATOM 480 O PHE A 30 -3.560 -0.580 1.353 1.00 0.00 O ATOM 481 CB PHE A 30 -2.188 1.692 -0.444 1.00 0.00 C ATOM 482 CG PHE A 30 -2.246 1.865 -1.921 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.428 0.756 -2.740 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.157 3.132 -2.462 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.532 0.922 -4.112 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.258 3.311 -3.822 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.455 2.205 -4.663 1.00 0.00 C ATOM 0 H PHE A 30 -3.781 3.389 0.096 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.040 0.691 -0.695 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.837 2.607 0.034 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.484 0.903 -0.179 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.488 -0.232 -2.308 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.008 3.984 -1.816 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.672 0.064 -4.753 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.186 4.303 -4.243 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.547 2.344 -5.730 1.00 0.00 H new ATOM 497 N ILE A 31 -3.369 1.401 2.445 1.00 0.00 N ATOM 498 CA ILE A 31 -3.322 0.737 3.741 1.00 0.00 C ATOM 499 C ILE A 31 -4.573 -0.117 3.833 1.00 0.00 C ATOM 500 O ILE A 31 -4.562 -1.236 4.353 1.00 0.00 O ATOM 501 CB ILE A 31 -3.357 1.719 4.921 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.180 2.683 4.878 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.294 0.934 6.241 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.384 3.732 5.979 1.00 0.00 C ATOM 0 H ILE A 31 -3.313 2.419 2.463 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.391 0.173 3.805 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.283 2.290 4.852 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.243 2.147 5.031 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.116 3.163 3.902 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.319 1.630 7.080 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.148 0.259 6.304 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.371 0.356 6.277 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.552 4.436 5.969 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.316 4.269 5.802 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.429 3.237 6.949 1.00 0.00 H new ATOM 516 N ASN A 32 -5.652 0.452 3.294 1.00 0.00 N ATOM 517 CA ASN A 32 -6.944 -0.214 3.277 1.00 0.00 C ATOM 518 C ASN A 32 -6.925 -1.440 2.375 1.00 0.00 C ATOM 519 O ASN A 32 -7.452 -2.483 2.737 1.00 0.00 O ATOM 520 CB ASN A 32 -8.007 0.766 2.770 1.00 0.00 C ATOM 521 CG ASN A 32 -9.326 0.542 3.503 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.947 -0.512 3.366 1.00 0.00 O ATOM 523 ND2 ASN A 32 -9.791 1.477 4.285 1.00 0.00 N ATOM 0 H ASN A 32 -5.651 1.377 2.863 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.175 -0.539 4.291 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.668 1.791 2.922 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.152 0.633 1.698 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.670 1.335 4.783 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.276 2.350 4.398 1.00 0.00 H new ATOM 530 N SER A 33 -6.331 -1.307 1.195 1.00 0.00 N ATOM 531 CA SER A 33 -6.282 -2.411 0.255 1.00 0.00 C ATOM 532 C SER A 33 -5.549 -3.615 0.845 1.00 0.00 C ATOM 533 O SER A 33 -5.917 -4.760 0.580 1.00 0.00 O ATOM 534 CB SER A 33 -5.596 -1.957 -1.021 1.00 0.00 C ATOM 535 OG SER A 33 -6.157 -0.723 -1.451 1.00 0.00 O ATOM 0 H SER A 33 -5.881 -0.451 0.871 1.00 0.00 H new ATOM 0 HA SER A 33 -7.304 -2.721 0.035 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.526 -1.841 -0.849 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.714 -2.712 -1.798 1.00 0.00 H new ATOM 0 HG SER A 33 -5.712 -0.430 -2.274 1.00 0.00 H new ATOM 541 N LEU A 34 -4.505 -3.349 1.633 1.00 0.00 N ATOM 542 CA LEU A 34 -3.721 -4.443 2.245 1.00 0.00 C ATOM 543 C LEU A 34 -4.620 -5.327 3.110 1.00 0.00 C ATOM 544 O LEU A 34 -4.561 -6.550 3.036 1.00 0.00 O ATOM 545 CB LEU A 34 -2.593 -3.921 3.162 1.00 0.00 C ATOM 546 CG LEU A 34 -1.923 -2.654 2.620 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.663 -2.341 3.428 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.535 -2.820 1.153 1.00 0.00 C ATOM 0 H LEU A 34 -4.182 -2.409 1.864 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.289 -5.000 1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.002 -3.715 4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.841 -4.700 3.284 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.639 -1.837 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.194 -1.439 3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.930 -2.186 4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.034 -3.175 3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.062 -1.905 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.838 -3.652 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.428 -3.022 0.561 1.00 0.00 H new ATOM 560 N ARG A 35 -5.443 -4.686 3.939 1.00 0.00 N ATOM 561 CA ARG A 35 -6.355 -5.408 4.825 1.00 0.00 C ATOM 562 C ARG A 35 -7.488 -6.027 4.017 1.00 0.00 C ATOM 563 O ARG A 35 -7.957 -7.125 4.321 1.00 0.00 O ATOM 564 CB ARG A 35 -6.871 -4.462 5.924 1.00 0.00 C ATOM 565 CG ARG A 35 -8.188 -3.780 5.525 1.00 0.00 C ATOM 566 CD ARG A 35 -8.388 -2.512 6.362 1.00 0.00 C ATOM 567 NE ARG A 35 -9.554 -1.772 5.885 1.00 0.00 N ATOM 568 CZ ARG A 35 -10.788 -2.146 6.200 1.00 0.00 C ATOM 569 NH1 ARG A 35 -11.248 -1.933 7.400 1.00 0.00 N ATOM 570 NH2 ARG A 35 -11.539 -2.726 5.309 1.00 0.00 N ATOM 0 H ARG A 35 -5.497 -3.670 4.016 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.825 -6.224 5.316 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.019 -5.024 6.846 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.118 -3.702 6.131 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.172 -3.528 4.465 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.023 -4.463 5.678 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.520 -2.777 7.411 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.499 -1.884 6.302 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.417 -0.950 5.297 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.660 -1.478 8.098 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.196 -2.221 7.641 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.179 -2.893 4.369 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.487 -3.014 5.551 1.00 0.00 H new ATOM 584 N ASP A 36 -7.891 -5.317 2.965 1.00 0.00 N ATOM 585 CA ASP A 36 -8.935 -5.789 2.076 1.00 0.00 C ATOM 586 C ASP A 36 -8.419 -7.008 1.329 1.00 0.00 C ATOM 587 O ASP A 36 -9.193 -7.831 0.838 1.00 0.00 O ATOM 588 CB ASP A 36 -9.311 -4.679 1.076 1.00 0.00 C ATOM 589 CG ASP A 36 -9.898 -3.450 1.789 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.359 -3.582 2.914 1.00 0.00 O ATOM 591 OD2 ASP A 36 -9.872 -2.387 1.193 1.00 0.00 O ATOM 0 H ASP A 36 -7.504 -4.408 2.712 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.823 -6.055 2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.428 -4.384 0.510 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.035 -5.065 0.359 1.00 0.00 H new ATOM 596 N ASP A 37 -7.085 -7.100 1.253 1.00 0.00 N ATOM 597 CA ASP A 37 -6.427 -8.203 0.565 1.00 0.00 C ATOM 598 C ASP A 37 -4.916 -8.198 0.851 1.00 0.00 C ATOM 599 O ASP A 37 -4.159 -7.470 0.199 1.00 0.00 O ATOM 600 CB ASP A 37 -6.669 -8.076 -0.944 1.00 0.00 C ATOM 601 CG ASP A 37 -6.367 -9.402 -1.653 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.366 -10.025 -1.326 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.140 -9.776 -2.520 1.00 0.00 O ATOM 0 H ASP A 37 -6.445 -6.419 1.662 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.843 -9.143 0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.703 -7.786 -1.129 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.039 -7.287 -1.354 1.00 0.00 H new ATOM 608 N PRO A 38 -4.458 -8.993 1.800 1.00 0.00 N ATOM 609 CA PRO A 38 -3.010 -9.068 2.147 1.00 0.00 C ATOM 610 C PRO A 38 -2.197 -9.738 1.045 1.00 0.00 C ATOM 611 O PRO A 38 -1.045 -9.381 0.808 1.00 0.00 O ATOM 612 CB PRO A 38 -2.945 -9.885 3.441 1.00 0.00 C ATOM 613 CG PRO A 38 -4.348 -10.235 3.808 1.00 0.00 C ATOM 614 CD PRO A 38 -5.259 -9.899 2.629 1.00 0.00 C ATOM 0 HA PRO A 38 -2.583 -8.072 2.267 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.348 -10.786 3.299 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.470 -9.310 4.236 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.422 -11.295 4.053 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.657 -9.681 4.694 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.544 -10.795 2.078 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.181 -9.423 2.962 1.00 0.00 H new ATOM 622 N SER A 39 -2.819 -10.702 0.365 1.00 0.00 N ATOM 623 CA SER A 39 -2.164 -11.412 -0.724 1.00 0.00 C ATOM 624 C SER A 39 -1.830 -10.437 -1.839 1.00 0.00 C ATOM 625 O SER A 39 -0.854 -10.621 -2.571 1.00 0.00 O ATOM 626 CB SER A 39 -3.075 -12.521 -1.258 1.00 0.00 C ATOM 627 OG SER A 39 -2.353 -13.316 -2.191 1.00 0.00 O ATOM 0 H SER A 39 -3.775 -11.006 0.552 1.00 0.00 H new ATOM 0 HA SER A 39 -1.245 -11.864 -0.351 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.433 -13.140 -0.436 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.953 -12.087 -1.736 1.00 0.00 H new ATOM 0 HG SER A 39 -2.934 -14.027 -2.533 1.00 0.00 H new ATOM 633 N GLN A 40 -2.654 -9.395 -1.953 1.00 0.00 N ATOM 634 CA GLN A 40 -2.456 -8.383 -2.972 1.00 0.00 C ATOM 635 C GLN A 40 -1.679 -7.192 -2.427 1.00 0.00 C ATOM 636 O GLN A 40 -1.449 -6.233 -3.151 1.00 0.00 O ATOM 637 CB GLN A 40 -3.807 -7.916 -3.529 1.00 0.00 C ATOM 638 CG GLN A 40 -4.481 -9.066 -4.290 1.00 0.00 C ATOM 639 CD GLN A 40 -3.699 -9.394 -5.560 1.00 0.00 C ATOM 640 OE1 GLN A 40 -3.576 -8.552 -6.451 1.00 0.00 O ATOM 641 NE2 GLN A 40 -3.154 -10.571 -5.694 1.00 0.00 N ATOM 0 H GLN A 40 -3.461 -9.236 -1.350 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.872 -8.831 -3.776 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.450 -7.580 -2.715 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.662 -7.064 -4.193 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.538 -9.948 -3.652 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.504 -8.791 -4.546 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.256 -11.267 -4.956 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.625 -10.795 -6.537 1.00 0.00 H new ATOM 650 N SER A 41 -1.246 -7.264 -1.162 1.00 0.00 N ATOM 651 CA SER A 41 -0.467 -6.174 -0.569 1.00 0.00 C ATOM 652 C SER A 41 0.735 -5.910 -1.450 1.00 0.00 C ATOM 653 O SER A 41 1.157 -4.773 -1.612 1.00 0.00 O ATOM 654 CB SER A 41 -0.027 -6.530 0.860 1.00 0.00 C ATOM 655 OG SER A 41 -1.166 -6.558 1.702 1.00 0.00 O ATOM 0 H SER A 41 -1.419 -8.053 -0.539 1.00 0.00 H new ATOM 0 HA SER A 41 -1.082 -5.276 -0.505 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.472 -7.499 0.870 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.693 -5.798 1.225 1.00 0.00 H new ATOM 0 HG SER A 41 -0.892 -6.786 2.615 1.00 0.00 H new ATOM 661 N ALA A 42 1.240 -6.990 -2.044 1.00 0.00 N ATOM 662 CA ALA A 42 2.370 -6.934 -2.955 1.00 0.00 C ATOM 663 C ALA A 42 1.973 -6.269 -4.280 1.00 0.00 C ATOM 664 O ALA A 42 2.760 -5.559 -4.904 1.00 0.00 O ATOM 665 CB ALA A 42 2.851 -8.352 -3.236 1.00 0.00 C ATOM 0 H ALA A 42 0.871 -7.931 -1.903 1.00 0.00 H new ATOM 0 HA ALA A 42 3.162 -6.345 -2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.700 -8.320 -3.919 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.155 -8.825 -2.302 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.043 -8.927 -3.688 1.00 0.00 H new ATOM 671 N ASN A 43 0.740 -6.511 -4.696 1.00 0.00 N ATOM 672 CA ASN A 43 0.199 -5.938 -5.914 1.00 0.00 C ATOM 673 C ASN A 43 -0.108 -4.478 -5.705 1.00 0.00 C ATOM 674 O ASN A 43 -0.095 -3.664 -6.621 1.00 0.00 O ATOM 675 CB ASN A 43 -1.114 -6.608 -6.211 1.00 0.00 C ATOM 676 CG ASN A 43 -1.415 -6.574 -7.704 1.00 0.00 C ATOM 677 OD1 ASN A 43 -1.326 -7.597 -8.382 1.00 0.00 O ATOM 678 ND2 ASN A 43 -1.755 -5.449 -8.258 1.00 0.00 N ATOM 0 H ASN A 43 0.086 -7.113 -4.195 1.00 0.00 H new ATOM 0 HA ASN A 43 0.924 -6.070 -6.718 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.086 -7.641 -5.865 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.914 -6.109 -5.663 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -1.949 -5.411 -9.259 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.828 -4.603 -7.692 1.00 0.00 H new ATOM 685 N LEU A 44 -0.513 -4.213 -4.487 1.00 0.00 N ATOM 686 CA LEU A 44 -0.969 -2.907 -4.102 1.00 0.00 C ATOM 687 C LEU A 44 0.105 -1.864 -4.174 1.00 0.00 C ATOM 688 O LEU A 44 -0.161 -0.785 -4.671 1.00 0.00 O ATOM 689 CB LEU A 44 -1.619 -3.007 -2.741 1.00 0.00 C ATOM 690 CG LEU A 44 -2.946 -3.747 -2.947 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.462 -4.348 -1.642 1.00 0.00 C ATOM 692 CD2 LEU A 44 -3.960 -2.771 -3.519 1.00 0.00 C ATOM 0 H LEU A 44 -0.534 -4.902 -3.735 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.712 -2.563 -4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.978 -3.546 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.788 -2.017 -2.318 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.788 -4.574 -3.640 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.404 -4.865 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.730 -5.056 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.621 -3.553 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.911 -3.282 -3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.100 -1.943 -2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.597 -2.387 -4.472 1.00 0.00 H new ATOM 704 N LEU A 45 1.329 -2.177 -3.769 1.00 0.00 N ATOM 705 CA LEU A 45 2.381 -1.167 -3.946 1.00 0.00 C ATOM 706 C LEU A 45 2.593 -1.066 -5.432 1.00 0.00 C ATOM 707 O LEU A 45 2.932 -0.030 -5.943 1.00 0.00 O ATOM 708 CB LEU A 45 3.766 -1.378 -3.275 1.00 0.00 C ATOM 709 CG LEU A 45 3.835 -2.559 -2.332 1.00 0.00 C ATOM 710 CD1 LEU A 45 2.762 -2.451 -1.255 1.00 0.00 C ATOM 711 CD2 LEU A 45 3.704 -3.827 -3.153 1.00 0.00 C ATOM 0 H LEU A 45 1.614 -3.059 -3.343 1.00 0.00 H new ATOM 0 HA LEU A 45 2.009 -0.279 -3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.517 -1.508 -4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.030 -0.475 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 45 4.791 -2.576 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.829 -3.310 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.911 -1.535 -0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.778 -2.431 -1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.751 -4.694 -2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.749 -3.823 -3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.517 -3.877 -3.877 1.00 0.00 H new ATOM 723 N ALA A 46 2.379 -2.188 -6.119 1.00 0.00 N ATOM 724 CA ALA A 46 2.534 -2.224 -7.564 1.00 0.00 C ATOM 725 C ALA A 46 1.564 -1.218 -8.157 1.00 0.00 C ATOM 726 O ALA A 46 1.913 -0.409 -9.012 1.00 0.00 O ATOM 727 CB ALA A 46 2.188 -3.616 -8.089 1.00 0.00 C ATOM 0 H ALA A 46 2.100 -3.074 -5.698 1.00 0.00 H new ATOM 0 HA ALA A 46 3.562 -1.987 -7.839 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.306 -3.636 -9.172 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.854 -4.351 -7.638 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.156 -3.856 -7.832 1.00 0.00 H new ATOM 733 N GLU A 47 0.353 -1.262 -7.621 1.00 0.00 N ATOM 734 CA GLU A 47 -0.707 -0.363 -7.991 1.00 0.00 C ATOM 735 C GLU A 47 -0.341 1.032 -7.544 1.00 0.00 C ATOM 736 O GLU A 47 -0.412 1.986 -8.296 1.00 0.00 O ATOM 737 CB GLU A 47 -1.955 -0.810 -7.237 1.00 0.00 C ATOM 738 CG GLU A 47 -2.784 -1.769 -8.088 1.00 0.00 C ATOM 739 CD GLU A 47 -3.672 -2.627 -7.187 1.00 0.00 C ATOM 740 OE1 GLU A 47 -3.187 -3.635 -6.694 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.819 -2.261 -6.993 1.00 0.00 O ATOM 0 H GLU A 47 0.085 -1.938 -6.906 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.873 -0.369 -9.068 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.668 -1.298 -6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.556 0.059 -6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.399 -1.207 -8.791 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.126 -2.406 -8.679 1.00 0.00 H new ATOM 748 N ALA A 48 0.058 1.096 -6.292 1.00 0.00 N ATOM 749 CA ALA A 48 0.453 2.333 -5.641 1.00 0.00 C ATOM 750 C ALA A 48 1.597 2.995 -6.376 1.00 0.00 C ATOM 751 O ALA A 48 1.561 4.187 -6.647 1.00 0.00 O ATOM 752 CB ALA A 48 0.875 2.031 -4.221 1.00 0.00 C ATOM 0 H ALA A 48 0.119 0.278 -5.685 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.397 3.016 -5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.173 2.955 -3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.041 1.583 -3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.716 1.337 -4.231 1.00 0.00 H new ATOM 758 N LYS A 49 2.599 2.204 -6.708 1.00 0.00 N ATOM 759 CA LYS A 49 3.743 2.705 -7.446 1.00 0.00 C ATOM 760 C LYS A 49 3.254 3.175 -8.811 1.00 0.00 C ATOM 761 O LYS A 49 3.711 4.198 -9.322 1.00 0.00 O ATOM 762 CB LYS A 49 4.812 1.609 -7.578 1.00 0.00 C ATOM 763 CG LYS A 49 5.483 1.385 -6.209 1.00 0.00 C ATOM 764 CD LYS A 49 6.437 0.181 -6.272 1.00 0.00 C ATOM 765 CE LYS A 49 6.927 -0.165 -4.857 1.00 0.00 C ATOM 766 NZ LYS A 49 7.824 -1.354 -4.913 1.00 0.00 N ATOM 0 H LYS A 49 2.644 1.211 -6.478 1.00 0.00 H new ATOM 0 HA LYS A 49 4.204 3.541 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.358 0.682 -7.929 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.558 1.899 -8.318 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.034 2.279 -5.916 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.722 1.215 -5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.927 -0.677 -6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.286 0.411 -6.916 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.459 0.684 -4.428 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.076 -0.369 -4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.247 -1.514 -3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.274 -2.191 -5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.578 -1.188 -5.610 1.00 0.00 H new ATOM 780 N LYS A 50 2.264 2.454 -9.364 1.00 0.00 N ATOM 781 CA LYS A 50 1.665 2.845 -10.631 1.00 0.00 C ATOM 782 C LYS A 50 0.834 4.105 -10.422 1.00 0.00 C ATOM 783 O LYS A 50 0.767 4.965 -11.288 1.00 0.00 O ATOM 784 CB LYS A 50 0.803 1.704 -11.193 1.00 0.00 C ATOM 785 CG LYS A 50 1.705 0.684 -11.909 1.00 0.00 C ATOM 786 CD LYS A 50 0.849 -0.318 -12.702 1.00 0.00 C ATOM 787 CE LYS A 50 0.087 -1.256 -11.754 1.00 0.00 C ATOM 788 NZ LYS A 50 1.051 -2.128 -11.024 1.00 0.00 N ATOM 0 H LYS A 50 1.872 1.608 -8.951 1.00 0.00 H new ATOM 0 HA LYS A 50 2.451 3.054 -11.357 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.255 1.217 -10.387 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.063 2.101 -11.887 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.389 1.202 -12.582 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.317 0.153 -11.179 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.142 0.221 -13.333 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.487 -0.903 -13.365 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.499 -0.673 -11.044 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.615 -1.868 -12.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.530 -2.761 -10.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.592 -2.695 -11.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.704 -1.537 -10.471 1.00 0.00 H new ATOM 802 N LEU A 51 0.223 4.188 -9.241 1.00 0.00 N ATOM 803 CA LEU A 51 -0.609 5.318 -8.839 1.00 0.00 C ATOM 804 C LEU A 51 0.247 6.549 -8.629 1.00 0.00 C ATOM 805 O LEU A 51 -0.100 7.656 -9.033 1.00 0.00 O ATOM 806 CB LEU A 51 -1.258 4.983 -7.496 1.00 0.00 C ATOM 807 CG LEU A 51 -2.709 4.531 -7.627 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.575 5.716 -8.081 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.805 3.331 -8.593 1.00 0.00 C ATOM 0 H LEU A 51 0.294 3.462 -8.528 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.352 5.506 -9.614 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.682 4.197 -7.007 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.214 5.860 -6.850 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.085 4.195 -6.661 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.612 5.394 -8.175 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.509 6.518 -7.345 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.219 6.078 -9.045 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.845 3.016 -8.680 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.431 3.623 -9.574 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.207 2.505 -8.208 1.00 0.00 H new ATOM 821 N ASN A 52 1.369 6.311 -7.968 1.00 0.00 N ATOM 822 CA ASN A 52 2.325 7.344 -7.648 1.00 0.00 C ATOM 823 C ASN A 52 2.799 7.976 -8.937 1.00 0.00 C ATOM 824 O ASN A 52 2.825 9.200 -9.087 1.00 0.00 O ATOM 825 CB ASN A 52 3.489 6.675 -6.899 1.00 0.00 C ATOM 826 CG ASN A 52 4.477 7.697 -6.355 1.00 0.00 C ATOM 827 OD1 ASN A 52 4.307 8.194 -5.243 1.00 0.00 O ATOM 828 ND2 ASN A 52 5.509 8.033 -7.074 1.00 0.00 N ATOM 0 H ASN A 52 1.639 5.384 -7.638 1.00 0.00 H new ATOM 0 HA ASN A 52 1.890 8.124 -7.023 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.096 6.077 -6.077 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.007 5.991 -7.571 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.181 8.711 -6.716 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.645 7.618 -7.996 1.00 0.00 H new ATOM 835 N ASP A 53 3.145 7.104 -9.864 1.00 0.00 N ATOM 836 CA ASP A 53 3.599 7.503 -11.170 1.00 0.00 C ATOM 837 C ASP A 53 2.457 8.059 -12.029 1.00 0.00 C ATOM 838 O ASP A 53 2.656 8.986 -12.817 1.00 0.00 O ATOM 839 CB ASP A 53 4.227 6.290 -11.868 1.00 0.00 C ATOM 840 CG ASP A 53 5.447 5.766 -11.091 1.00 0.00 C ATOM 841 OD1 ASP A 53 6.018 6.516 -10.309 1.00 0.00 O ATOM 842 OD2 ASP A 53 5.791 4.613 -11.290 1.00 0.00 O ATOM 0 H ASP A 53 3.117 6.094 -9.725 1.00 0.00 H new ATOM 0 HA ASP A 53 4.334 8.299 -11.048 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.485 5.497 -11.961 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.528 6.565 -12.879 1.00 0.00 H new ATOM 847 N ALA A 54 1.280 7.437 -11.907 1.00 0.00 N ATOM 848 CA ALA A 54 0.113 7.814 -12.719 1.00 0.00 C ATOM 849 C ALA A 54 -0.535 9.123 -12.312 1.00 0.00 C ATOM 850 O ALA A 54 -0.972 9.895 -13.169 1.00 0.00 O ATOM 851 CB ALA A 54 -0.949 6.745 -12.557 1.00 0.00 C ATOM 0 H ALA A 54 1.108 6.671 -11.256 1.00 0.00 H new ATOM 0 HA ALA A 54 0.481 7.922 -13.739 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.823 7.008 -13.153 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.555 5.786 -12.894 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.234 6.671 -11.507 1.00 0.00 H new ATOM 857 N GLN A 55 -0.631 9.351 -11.014 1.00 0.00 N ATOM 858 CA GLN A 55 -1.273 10.552 -10.522 1.00 0.00 C ATOM 859 C GLN A 55 -0.324 11.708 -10.539 1.00 0.00 C ATOM 860 O GLN A 55 -0.668 12.805 -10.983 1.00 0.00 O ATOM 861 CB GLN A 55 -1.714 10.362 -9.079 1.00 0.00 C ATOM 862 CG GLN A 55 -2.889 9.393 -8.974 1.00 0.00 C ATOM 863 CD GLN A 55 -3.361 9.348 -7.523 1.00 0.00 C ATOM 864 OE1 GLN A 55 -4.329 8.660 -7.202 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.741 10.066 -6.621 1.00 0.00 N ATOM 0 H GLN A 55 -0.276 8.726 -10.290 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.127 10.749 -11.170 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.878 9.987 -8.489 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.997 11.325 -8.654 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.702 9.713 -9.626 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.589 8.399 -9.304 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.938 10.637 -6.887 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.061 10.055 -5.652 1.00 0.00 H new ATOM 874 N ALA A 56 0.854 11.449 -9.986 1.00 0.00 N ATOM 875 CA ALA A 56 1.873 12.479 -9.847 1.00 0.00 C ATOM 876 C ALA A 56 1.191 13.779 -9.374 1.00 0.00 C ATOM 877 O ALA A 56 1.176 14.782 -10.092 1.00 0.00 O ATOM 878 CB ALA A 56 2.603 12.679 -11.175 1.00 0.00 C ATOM 0 H ALA A 56 1.127 10.534 -9.627 1.00 0.00 H new ATOM 0 HA ALA A 56 2.618 12.181 -9.110 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.363 13.452 -11.060 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.078 11.744 -11.473 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.889 12.984 -11.940 1.00 0.00 H new ATOM 884 N PRO A 57 0.578 13.750 -8.198 1.00 0.00 N ATOM 885 CA PRO A 57 -0.174 14.904 -7.641 1.00 0.00 C ATOM 886 C PRO A 57 0.753 16.030 -7.175 1.00 0.00 C ATOM 887 O PRO A 57 1.179 16.067 -6.018 1.00 0.00 O ATOM 888 CB PRO A 57 -1.006 14.317 -6.482 1.00 0.00 C ATOM 889 CG PRO A 57 -0.722 12.853 -6.457 1.00 0.00 C ATOM 890 CD PRO A 57 0.560 12.632 -7.258 1.00 0.00 C ATOM 0 HA PRO A 57 -0.808 15.371 -8.395 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.733 14.781 -5.534 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.069 14.504 -6.634 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.602 12.501 -5.432 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.550 12.292 -6.892 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.440 12.636 -6.615 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.548 11.673 -7.776 1.00 0.00 H new ATOM 898 N LYS A 58 1.064 16.935 -8.099 1.00 0.00 N ATOM 899 CA LYS A 58 1.947 18.064 -7.802 1.00 0.00 C ATOM 900 C LYS A 58 1.199 19.142 -7.012 1.00 0.00 C ATOM 901 O LYS A 58 0.062 19.424 -7.357 1.00 0.00 O ATOM 902 CB LYS A 58 2.486 18.661 -9.108 1.00 0.00 C ATOM 903 CG LYS A 58 3.336 17.616 -9.843 1.00 0.00 C ATOM 904 CD LYS A 58 3.959 18.244 -11.096 1.00 0.00 C ATOM 905 CE LYS A 58 4.685 17.167 -11.910 1.00 0.00 C ATOM 906 NZ LYS A 58 5.809 16.606 -11.108 1.00 0.00 N ATOM 907 OXT LYS A 58 1.775 19.668 -6.074 1.00 0.00 O ATOM 0 H LYS A 58 0.719 16.911 -9.059 1.00 0.00 H new ATOM 0 HA LYS A 58 2.779 17.703 -7.197 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.659 18.981 -9.741 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.085 19.546 -8.894 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.120 17.242 -9.184 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.719 16.762 -10.121 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.184 18.711 -11.703 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.658 19.030 -10.811 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.990 16.374 -12.184 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.065 17.593 -12.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.448 16.073 -11.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.334 17.382 -10.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.430 15.972 -10.376 1.00 0.00 H new TER 921 LYS A 58