USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 605 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 25 LYS NZ :NH3+ -169:sc= 0.00319 (180deg=0) USER MOD Set 1.2: A 26 ASN : amide:sc= -0.0949 X(o=-0.092,f=-0.42) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.183 K(o=-0.18,f=-1.9!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.234 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.503 K(o=-0.5,f=-1.3) USER MOD Single : A 34 THR OG1 : rot 107:sc= 0.554 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -178:sc= 0 (180deg=-0.00861) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0541 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -4.2 K(o=-4.2,f=-7.8!) USER MOD Single : A 60 SER OG : rot 180:sc= 0.00503 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -160:sc= -1.29 USER MOD Single : A 71 ASN : amide:sc= -0.411! X(o=-0.41!,f=-0.88) USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= -0.0168 (180deg=-0.245) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.13) USER MOD Single : A 81 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 4 2.919 -14.470 6.299 1.00 0.00 N ATOM 24 CA GLU A 4 3.639 -13.304 6.779 1.00 0.00 C ATOM 25 C GLU A 4 4.467 -12.689 5.650 1.00 0.00 C ATOM 26 O GLU A 4 4.887 -11.535 5.740 1.00 0.00 O ATOM 27 CB GLU A 4 4.524 -13.660 7.975 1.00 0.00 C ATOM 28 CG GLU A 4 4.474 -12.564 9.042 1.00 0.00 C ATOM 29 CD GLU A 4 3.291 -12.775 9.990 1.00 0.00 C ATOM 30 OE1 GLU A 4 2.205 -12.248 9.670 1.00 0.00 O ATOM 31 OE2 GLU A 4 3.502 -13.460 11.015 1.00 0.00 O ATOM 0 HA GLU A 4 2.911 -12.565 7.114 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.196 -14.606 8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.552 -13.801 7.642 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.404 -12.562 9.610 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.391 -11.588 8.563 1.00 0.00 H new ATOM 38 N ALA A 5 4.677 -13.484 4.611 1.00 0.00 N ATOM 39 CA ALA A 5 5.447 -13.032 3.465 1.00 0.00 C ATOM 40 C ALA A 5 4.621 -12.021 2.668 1.00 0.00 C ATOM 41 O ALA A 5 5.133 -11.379 1.752 1.00 0.00 O ATOM 42 CB ALA A 5 5.864 -14.238 2.621 1.00 0.00 C ATOM 0 H ALA A 5 4.327 -14.439 4.539 1.00 0.00 H new ATOM 0 HA ALA A 5 6.359 -12.531 3.790 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.442 -13.898 1.761 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.473 -14.911 3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.975 -14.765 2.275 1.00 0.00 H new ATOM 48 N ILE A 6 3.356 -11.909 3.046 1.00 0.00 N ATOM 49 CA ILE A 6 2.453 -10.987 2.377 1.00 0.00 C ATOM 50 C ILE A 6 2.447 -9.653 3.126 1.00 0.00 C ATOM 51 O ILE A 6 2.559 -8.592 2.514 1.00 0.00 O ATOM 52 CB ILE A 6 1.065 -11.612 2.223 1.00 0.00 C ATOM 53 CG1 ILE A 6 0.926 -12.311 0.869 1.00 0.00 C ATOM 54 CG2 ILE A 6 -0.033 -10.571 2.447 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.508 -12.799 0.649 1.00 0.00 C ATOM 0 H ILE A 6 2.935 -12.441 3.807 1.00 0.00 H new ATOM 0 HA ILE A 6 2.799 -10.783 1.364 1.00 0.00 H new ATOM 0 HB ILE A 6 0.946 -12.375 2.992 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.207 -11.624 0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.613 -13.156 0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.009 -11.042 2.332 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.055 -10.160 3.453 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.072 -9.769 1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.580 -13.292 -0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.777 -13.504 1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.190 -11.949 0.675 1.00 0.00 H new ATOM 67 N LYS A 7 2.314 -9.750 4.442 1.00 0.00 N ATOM 68 CA LYS A 7 2.293 -8.564 5.281 1.00 0.00 C ATOM 69 C LYS A 7 3.663 -7.885 5.233 1.00 0.00 C ATOM 70 O LYS A 7 3.755 -6.661 5.290 1.00 0.00 O ATOM 71 CB LYS A 7 1.830 -8.918 6.696 1.00 0.00 C ATOM 72 CG LYS A 7 0.849 -7.872 7.230 1.00 0.00 C ATOM 73 CD LYS A 7 0.989 -7.713 8.744 1.00 0.00 C ATOM 74 CE LYS A 7 -0.372 -7.820 9.435 1.00 0.00 C ATOM 75 NZ LYS A 7 -0.466 -6.852 10.550 1.00 0.00 N ATOM 0 H LYS A 7 2.220 -10.631 4.947 1.00 0.00 H new ATOM 0 HA LYS A 7 1.568 -7.843 4.904 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.355 -9.899 6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.693 -8.984 7.359 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.031 -6.915 6.742 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.171 -8.166 6.984 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.660 -8.479 9.133 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.441 -6.748 8.972 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.168 -7.632 8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.516 -8.833 9.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.396 -6.939 11.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.282 -7.050 11.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.350 -5.886 10.182 1.00 0.00 H new ATOM 89 N ASN A 8 4.694 -8.712 5.130 1.00 0.00 N ATOM 90 CA ASN A 8 6.055 -8.206 5.074 1.00 0.00 C ATOM 91 C ASN A 8 6.327 -7.641 3.679 1.00 0.00 C ATOM 92 O ASN A 8 6.691 -6.474 3.539 1.00 0.00 O ATOM 93 CB ASN A 8 7.068 -9.322 5.338 1.00 0.00 C ATOM 94 CG ASN A 8 8.231 -8.817 6.194 1.00 0.00 C ATOM 95 OD1 ASN A 8 8.368 -7.634 6.464 1.00 0.00 O ATOM 96 ND2 ASN A 8 9.057 -9.774 6.604 1.00 0.00 N ATOM 0 H ASN A 8 4.614 -9.728 5.084 1.00 0.00 H new ATOM 0 HA ASN A 8 6.160 -7.435 5.837 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.575 -10.153 5.842 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.448 -9.704 4.391 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.864 -9.538 7.181 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.884 -10.744 6.342 1.00 0.00 H new ATOM 103 N GLY A 9 6.143 -8.494 2.682 1.00 0.00 N ATOM 104 CA GLY A 9 6.364 -8.093 1.304 1.00 0.00 C ATOM 105 C GLY A 9 5.681 -6.757 1.004 1.00 0.00 C ATOM 106 O GLY A 9 6.265 -5.888 0.359 1.00 0.00 O ATOM 0 H GLY A 9 5.843 -9.462 2.802 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.434 -8.009 1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.980 -8.861 0.632 1.00 0.00 H new ATOM 110 N VAL A 10 4.453 -6.636 1.487 1.00 0.00 N ATOM 111 CA VAL A 10 3.684 -5.421 1.278 1.00 0.00 C ATOM 112 C VAL A 10 4.461 -4.229 1.840 1.00 0.00 C ATOM 113 O VAL A 10 4.661 -3.231 1.148 1.00 0.00 O ATOM 114 CB VAL A 10 2.292 -5.571 1.893 1.00 0.00 C ATOM 115 CG1 VAL A 10 1.713 -4.209 2.283 1.00 0.00 C ATOM 116 CG2 VAL A 10 1.350 -6.315 0.944 1.00 0.00 C ATOM 0 H VAL A 10 3.972 -7.359 2.022 1.00 0.00 H new ATOM 0 HA VAL A 10 3.536 -5.240 0.213 1.00 0.00 H new ATOM 0 HB VAL A 10 2.391 -6.165 2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.723 -4.346 2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.367 -3.731 3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.636 -3.579 1.397 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.367 -6.408 1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.261 -5.760 0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.750 -7.308 0.739 1.00 0.00 H new ATOM 126 N LEU A 11 4.877 -4.370 3.090 1.00 0.00 N ATOM 127 CA LEU A 11 5.627 -3.317 3.753 1.00 0.00 C ATOM 128 C LEU A 11 6.962 -3.117 3.033 1.00 0.00 C ATOM 129 O LEU A 11 7.355 -1.986 2.749 1.00 0.00 O ATOM 130 CB LEU A 11 5.773 -3.622 5.246 1.00 0.00 C ATOM 131 CG LEU A 11 5.826 -2.408 6.176 1.00 0.00 C ATOM 132 CD1 LEU A 11 4.767 -1.374 5.789 1.00 0.00 C ATOM 133 CD2 LEU A 11 5.703 -2.833 7.639 1.00 0.00 C ATOM 0 H LEU A 11 4.709 -5.198 3.661 1.00 0.00 H new ATOM 0 HA LEU A 11 5.088 -2.371 3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.938 -4.253 5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.682 -4.205 5.390 1.00 0.00 H new ATOM 0 HG LEU A 11 6.799 -1.931 6.060 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.826 -0.522 6.466 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.942 -1.039 4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.777 -1.824 5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.744 -1.951 8.279 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.754 -3.347 7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.524 -3.504 7.893 1.00 0.00 H new ATOM 145 N ASP A 12 7.622 -4.232 2.757 1.00 0.00 N ATOM 146 CA ASP A 12 8.906 -4.193 2.076 1.00 0.00 C ATOM 147 C ASP A 12 8.751 -3.442 0.752 1.00 0.00 C ATOM 148 O ASP A 12 9.602 -2.629 0.394 1.00 0.00 O ATOM 149 CB ASP A 12 9.405 -5.605 1.763 1.00 0.00 C ATOM 150 CG ASP A 12 10.921 -5.790 1.859 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.634 -4.920 1.314 1.00 0.00 O ATOM 152 OD2 ASP A 12 11.331 -6.797 2.475 1.00 0.00 O ATOM 0 H ASP A 12 7.292 -5.168 2.992 1.00 0.00 H new ATOM 0 HA ASP A 12 9.621 -3.694 2.730 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.924 -6.304 2.447 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.084 -5.873 0.756 1.00 0.00 H new ATOM 157 N ILE A 13 7.661 -3.741 0.062 1.00 0.00 N ATOM 158 CA ILE A 13 7.385 -3.104 -1.215 1.00 0.00 C ATOM 159 C ILE A 13 6.926 -1.665 -0.973 1.00 0.00 C ATOM 160 O ILE A 13 7.049 -0.814 -1.852 1.00 0.00 O ATOM 161 CB ILE A 13 6.392 -3.938 -2.027 1.00 0.00 C ATOM 162 CG1 ILE A 13 7.123 -4.936 -2.928 1.00 0.00 C ATOM 163 CG2 ILE A 13 5.441 -3.040 -2.820 1.00 0.00 C ATOM 164 CD1 ILE A 13 6.376 -6.270 -2.986 1.00 0.00 C ATOM 0 H ILE A 13 6.958 -4.416 0.363 1.00 0.00 H new ATOM 0 HA ILE A 13 8.291 -3.053 -1.819 1.00 0.00 H new ATOM 0 HB ILE A 13 5.783 -4.517 -1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.217 -4.524 -3.933 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.134 -5.097 -2.554 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.746 -3.658 -3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.883 -2.404 -2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.016 -2.417 -3.505 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.916 -6.962 -3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.305 -6.691 -1.983 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.374 -6.109 -3.384 1.00 0.00 H new ATOM 176 N LEU A 14 6.406 -1.437 0.224 1.00 0.00 N ATOM 177 CA LEU A 14 5.927 -0.116 0.593 1.00 0.00 C ATOM 178 C LEU A 14 7.120 0.772 0.953 1.00 0.00 C ATOM 179 O LEU A 14 7.301 1.841 0.370 1.00 0.00 O ATOM 180 CB LEU A 14 4.878 -0.216 1.703 1.00 0.00 C ATOM 181 CG LEU A 14 3.455 0.198 1.321 1.00 0.00 C ATOM 182 CD1 LEU A 14 3.465 1.465 0.463 1.00 0.00 C ATOM 183 CD2 LEU A 14 2.715 -0.953 0.636 1.00 0.00 C ATOM 0 H LEU A 14 6.306 -2.145 0.951 1.00 0.00 H new ATOM 0 HA LEU A 14 5.421 0.354 -0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.852 -1.246 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.203 0.403 2.539 1.00 0.00 H new ATOM 0 HG LEU A 14 2.910 0.433 2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.442 1.738 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.928 2.279 1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.033 1.282 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.706 -0.633 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.250 -1.242 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.661 -1.805 1.313 1.00 0.00 H new ATOM 195 N ALA A 15 7.902 0.298 1.910 1.00 0.00 N ATOM 196 CA ALA A 15 9.073 1.035 2.355 1.00 0.00 C ATOM 197 C ALA A 15 9.952 1.364 1.146 1.00 0.00 C ATOM 198 O ALA A 15 10.582 2.420 1.102 1.00 0.00 O ATOM 199 CB ALA A 15 9.819 0.220 3.413 1.00 0.00 C ATOM 0 H ALA A 15 7.748 -0.588 2.391 1.00 0.00 H new ATOM 0 HA ALA A 15 8.780 1.978 2.817 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.697 0.773 3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.161 0.038 4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.131 -0.733 2.985 1.00 0.00 H new ATOM 205 N ASP A 16 9.966 0.441 0.196 1.00 0.00 N ATOM 206 CA ASP A 16 10.757 0.620 -1.010 1.00 0.00 C ATOM 207 C ASP A 16 10.028 1.576 -1.956 1.00 0.00 C ATOM 208 O ASP A 16 10.662 2.311 -2.712 1.00 0.00 O ATOM 209 CB ASP A 16 10.955 -0.709 -1.741 1.00 0.00 C ATOM 210 CG ASP A 16 12.370 -1.285 -1.664 1.00 0.00 C ATOM 211 OD1 ASP A 16 12.995 -1.115 -0.594 1.00 0.00 O ATOM 212 OD2 ASP A 16 12.795 -1.883 -2.676 1.00 0.00 O ATOM 0 H ASP A 16 9.442 -0.433 0.237 1.00 0.00 H new ATOM 0 HA ASP A 16 11.728 1.020 -0.720 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.259 -1.440 -1.330 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.691 -0.572 -2.790 1.00 0.00 H new ATOM 217 N LEU A 17 8.705 1.536 -1.884 1.00 0.00 N ATOM 218 CA LEU A 17 7.883 2.390 -2.724 1.00 0.00 C ATOM 219 C LEU A 17 8.180 3.855 -2.399 1.00 0.00 C ATOM 220 O LEU A 17 8.333 4.676 -3.302 1.00 0.00 O ATOM 221 CB LEU A 17 6.406 2.015 -2.586 1.00 0.00 C ATOM 222 CG LEU A 17 5.848 1.082 -3.662 1.00 0.00 C ATOM 223 CD1 LEU A 17 4.640 0.303 -3.138 1.00 0.00 C ATOM 224 CD2 LEU A 17 5.521 1.853 -4.942 1.00 0.00 C ATOM 0 H LEU A 17 8.182 0.925 -1.256 1.00 0.00 H new ATOM 0 HA LEU A 17 8.128 2.241 -3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.260 1.544 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.817 2.932 -2.587 1.00 0.00 H new ATOM 0 HG LEU A 17 6.618 0.353 -3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.262 -0.353 -3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.938 -0.295 -2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.858 1.001 -2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.126 1.166 -5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.777 2.620 -4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.427 2.324 -5.324 1.00 0.00 H new ATOM 236 N THR A 18 8.250 4.139 -1.107 1.00 0.00 N ATOM 237 CA THR A 18 8.525 5.491 -0.652 1.00 0.00 C ATOM 238 C THR A 18 10.019 5.801 -0.772 1.00 0.00 C ATOM 239 O THR A 18 10.404 6.779 -1.412 1.00 0.00 O ATOM 240 CB THR A 18 7.989 5.628 0.774 1.00 0.00 C ATOM 241 OG1 THR A 18 8.886 4.848 1.559 1.00 0.00 O ATOM 242 CG2 THR A 18 6.635 4.939 0.959 1.00 0.00 C ATOM 0 H THR A 18 8.121 3.456 -0.361 1.00 0.00 H new ATOM 0 HA THR A 18 8.021 6.229 -1.277 1.00 0.00 H new ATOM 0 HB THR A 18 7.896 6.684 1.027 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.613 4.883 2.499 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.300 5.066 1.988 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.905 5.383 0.282 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.734 3.876 0.739 1.00 0.00 H new ATOM 250 N GLY A 19 10.819 4.950 -0.147 1.00 0.00 N ATOM 251 CA GLY A 19 12.262 5.121 -0.175 1.00 0.00 C ATOM 252 C GLY A 19 12.828 5.240 1.241 1.00 0.00 C ATOM 253 O GLY A 19 14.044 5.270 1.427 1.00 0.00 O ATOM 0 H GLY A 19 10.496 4.140 0.382 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.722 4.274 -0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.515 6.013 -0.748 1.00 0.00 H new ATOM 257 N SER A 20 11.919 5.304 2.204 1.00 0.00 N ATOM 258 CA SER A 20 12.313 5.418 3.598 1.00 0.00 C ATOM 259 C SER A 20 11.676 4.293 4.415 1.00 0.00 C ATOM 260 O SER A 20 10.772 3.609 3.938 1.00 0.00 O ATOM 261 CB SER A 20 11.920 6.781 4.171 1.00 0.00 C ATOM 262 OG SER A 20 12.994 7.715 4.113 1.00 0.00 O ATOM 0 H SER A 20 10.912 5.279 2.046 1.00 0.00 H new ATOM 0 HA SER A 20 13.398 5.330 3.656 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.067 7.174 3.618 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.600 6.660 5.206 1.00 0.00 H new ATOM 0 HG SER A 20 12.702 8.573 4.487 1.00 0.00 H new ATOM 268 N ASP A 21 12.171 4.137 5.635 1.00 0.00 N ATOM 269 CA ASP A 21 11.661 3.107 6.524 1.00 0.00 C ATOM 270 C ASP A 21 10.617 3.720 7.460 1.00 0.00 C ATOM 271 O ASP A 21 10.439 3.254 8.585 1.00 0.00 O ATOM 272 CB ASP A 21 12.780 2.518 7.384 1.00 0.00 C ATOM 273 CG ASP A 21 13.233 1.113 6.980 1.00 0.00 C ATOM 274 OD1 ASP A 21 13.321 0.874 5.757 1.00 0.00 O ATOM 275 OD2 ASP A 21 13.483 0.310 7.905 1.00 0.00 O ATOM 0 H ASP A 21 12.920 4.707 6.028 1.00 0.00 H new ATOM 0 HA ASP A 21 11.225 2.318 5.912 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.640 3.187 7.343 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.446 2.492 8.421 1.00 0.00 H new ATOM 280 N ASP A 22 9.956 4.754 6.962 1.00 0.00 N ATOM 281 CA ASP A 22 8.935 5.434 7.740 1.00 0.00 C ATOM 282 C ASP A 22 7.635 4.629 7.685 1.00 0.00 C ATOM 283 O ASP A 22 6.985 4.421 8.708 1.00 0.00 O ATOM 284 CB ASP A 22 8.652 6.829 7.177 1.00 0.00 C ATOM 285 CG ASP A 22 9.324 7.134 5.838 1.00 0.00 C ATOM 286 OD1 ASP A 22 9.100 6.343 4.897 1.00 0.00 O ATOM 287 OD2 ASP A 22 10.047 8.152 5.785 1.00 0.00 O ATOM 0 H ASP A 22 10.108 5.138 6.029 1.00 0.00 H new ATOM 0 HA ASP A 22 9.297 5.524 8.764 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.575 6.946 7.061 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.976 7.571 7.906 1.00 0.00 H new ATOM 292 N VAL A 23 7.295 4.198 6.479 1.00 0.00 N ATOM 293 CA VAL A 23 6.085 3.419 6.277 1.00 0.00 C ATOM 294 C VAL A 23 6.329 1.979 6.731 1.00 0.00 C ATOM 295 O VAL A 23 5.427 1.144 6.668 1.00 0.00 O ATOM 296 CB VAL A 23 5.638 3.518 4.817 1.00 0.00 C ATOM 297 CG1 VAL A 23 6.599 2.762 3.896 1.00 0.00 C ATOM 298 CG2 VAL A 23 4.205 3.011 4.648 1.00 0.00 C ATOM 0 H VAL A 23 7.836 4.373 5.632 1.00 0.00 H new ATOM 0 HA VAL A 23 5.269 3.816 6.881 1.00 0.00 H new ATOM 0 HB VAL A 23 5.658 4.570 4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.258 2.849 2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.598 3.188 3.985 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.626 1.711 4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.911 3.092 3.601 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.149 1.968 4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.532 3.611 5.261 1.00 0.00 H new ATOM 308 N LYS A 24 7.551 1.731 7.179 1.00 0.00 N ATOM 309 CA LYS A 24 7.924 0.406 7.644 1.00 0.00 C ATOM 310 C LYS A 24 7.647 0.301 9.145 1.00 0.00 C ATOM 311 O LYS A 24 7.359 -0.783 9.651 1.00 0.00 O ATOM 312 CB LYS A 24 9.372 0.092 7.262 1.00 0.00 C ATOM 313 CG LYS A 24 9.673 -1.398 7.431 1.00 0.00 C ATOM 314 CD LYS A 24 11.120 -1.712 7.050 1.00 0.00 C ATOM 315 CE LYS A 24 11.261 -3.160 6.576 1.00 0.00 C ATOM 316 NZ LYS A 24 12.672 -3.599 6.661 1.00 0.00 N ATOM 0 H LYS A 24 8.296 2.426 7.230 1.00 0.00 H new ATOM 0 HA LYS A 24 7.317 -0.355 7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.551 0.388 6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.051 0.676 7.883 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.493 -1.694 8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.995 -1.982 6.809 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.447 -1.034 6.262 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.771 -1.541 7.908 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.634 -3.811 7.186 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.908 -3.248 5.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.749 -4.584 6.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.262 -2.989 6.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.997 -3.534 7.647 1.00 0.00 H new ATOM 330 N LYS A 25 7.742 1.440 9.813 1.00 0.00 N ATOM 331 CA LYS A 25 7.505 1.489 11.246 1.00 0.00 C ATOM 332 C LYS A 25 6.071 1.952 11.506 1.00 0.00 C ATOM 333 O LYS A 25 5.363 1.365 12.322 1.00 0.00 O ATOM 334 CB LYS A 25 8.564 2.352 11.934 1.00 0.00 C ATOM 335 CG LYS A 25 8.399 3.826 11.560 1.00 0.00 C ATOM 336 CD LYS A 25 7.329 4.495 12.425 1.00 0.00 C ATOM 337 CE LYS A 25 7.934 5.614 13.277 1.00 0.00 C ATOM 338 NZ LYS A 25 6.995 6.014 14.349 1.00 0.00 N ATOM 0 H LYS A 25 7.980 2.337 9.389 1.00 0.00 H new ATOM 0 HA LYS A 25 7.603 0.495 11.683 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.486 2.237 13.015 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.559 2.010 11.648 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.349 4.345 11.685 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.126 3.910 10.508 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.543 4.902 11.788 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.862 3.752 13.072 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.874 5.278 13.715 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.165 6.474 12.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.333 6.889 14.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.052 6.176 13.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.940 5.259 15.062 1.00 0.00 H new ATOM 352 N ASN A 26 5.683 3.001 10.794 1.00 0.00 N ATOM 353 CA ASN A 26 4.345 3.550 10.938 1.00 0.00 C ATOM 354 C ASN A 26 3.366 2.717 10.108 1.00 0.00 C ATOM 355 O ASN A 26 3.672 2.334 8.980 1.00 0.00 O ATOM 356 CB ASN A 26 4.285 4.992 10.435 1.00 0.00 C ATOM 357 CG ASN A 26 3.623 5.906 11.468 1.00 0.00 C ATOM 358 OD1 ASN A 26 4.225 6.318 12.446 1.00 0.00 O ATOM 359 ND2 ASN A 26 2.355 6.201 11.197 1.00 0.00 N ATOM 0 H ASN A 26 6.272 3.485 10.116 1.00 0.00 H new ATOM 0 HA ASN A 26 4.082 3.527 11.996 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.293 5.349 10.221 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.728 5.032 9.499 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.827 6.806 11.826 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.911 5.822 10.360 1.00 0.00 H new ATOM 366 N LEU A 27 2.208 2.462 10.698 1.00 0.00 N ATOM 367 CA LEU A 27 1.182 1.682 10.026 1.00 0.00 C ATOM 368 C LEU A 27 -0.048 2.561 9.790 1.00 0.00 C ATOM 369 O LEU A 27 -1.178 2.075 9.817 1.00 0.00 O ATOM 370 CB LEU A 27 0.882 0.403 10.811 1.00 0.00 C ATOM 371 CG LEU A 27 2.074 -0.520 11.069 1.00 0.00 C ATOM 372 CD1 LEU A 27 1.925 -1.245 12.408 1.00 0.00 C ATOM 373 CD2 LEU A 27 2.274 -1.495 9.908 1.00 0.00 C ATOM 0 H LEU A 27 1.957 2.781 11.634 1.00 0.00 H new ATOM 0 HA LEU A 27 1.532 1.354 9.047 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.450 0.683 11.772 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.121 -0.161 10.271 1.00 0.00 H new ATOM 0 HG LEU A 27 2.973 0.092 11.133 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.785 -1.895 12.568 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.869 -0.513 13.214 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.015 -1.844 12.398 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.128 -2.140 10.117 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.379 -2.106 9.787 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.458 -0.936 8.991 1.00 0.00 H new ATOM 385 N ASP A 28 0.213 3.841 9.566 1.00 0.00 N ATOM 386 CA ASP A 28 -0.859 4.792 9.325 1.00 0.00 C ATOM 387 C ASP A 28 -0.261 6.115 8.843 1.00 0.00 C ATOM 388 O ASP A 28 -0.805 7.184 9.119 1.00 0.00 O ATOM 389 CB ASP A 28 -1.648 5.069 10.606 1.00 0.00 C ATOM 390 CG ASP A 28 -3.154 4.825 10.504 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.548 4.095 9.569 1.00 0.00 O ATOM 392 OD2 ASP A 28 -3.877 5.374 11.363 1.00 0.00 O ATOM 0 H ASP A 28 1.151 4.241 9.546 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.526 4.366 8.576 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.247 4.444 11.404 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.482 6.106 10.900 1.00 0.00 H new ATOM 397 N LEU A 29 0.850 6.001 8.129 1.00 0.00 N ATOM 398 CA LEU A 29 1.527 7.176 7.606 1.00 0.00 C ATOM 399 C LEU A 29 1.034 7.451 6.184 1.00 0.00 C ATOM 400 O LEU A 29 1.455 6.788 5.237 1.00 0.00 O ATOM 401 CB LEU A 29 3.044 7.010 7.709 1.00 0.00 C ATOM 402 CG LEU A 29 3.883 8.181 7.197 1.00 0.00 C ATOM 403 CD1 LEU A 29 3.831 9.360 8.170 1.00 0.00 C ATOM 404 CD2 LEU A 29 5.320 7.741 6.906 1.00 0.00 C ATOM 0 H LEU A 29 1.298 5.113 7.901 1.00 0.00 H new ATOM 0 HA LEU A 29 1.284 8.054 8.204 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.300 6.835 8.754 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.330 6.115 7.156 1.00 0.00 H new ATOM 0 HG LEU A 29 3.454 8.522 6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.436 10.179 7.782 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.799 9.693 8.283 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.220 9.049 9.139 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.895 8.593 6.543 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.775 7.358 7.819 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.314 6.958 6.148 1.00 0.00 H new ATOM 416 N ASN A 30 0.149 8.431 6.079 1.00 0.00 N ATOM 417 CA ASN A 30 -0.407 8.802 4.788 1.00 0.00 C ATOM 418 C ASN A 30 0.685 8.705 3.721 1.00 0.00 C ATOM 419 O ASN A 30 1.697 9.400 3.798 1.00 0.00 O ATOM 420 CB ASN A 30 -0.924 10.242 4.805 1.00 0.00 C ATOM 421 CG ASN A 30 -1.708 10.529 6.087 1.00 0.00 C ATOM 422 OD1 ASN A 30 -1.479 11.504 6.782 1.00 0.00 O ATOM 423 ND2 ASN A 30 -2.645 9.625 6.360 1.00 0.00 N ATOM 0 H ASN A 30 -0.197 8.980 6.866 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.232 8.125 4.569 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.086 10.934 4.725 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.562 10.413 3.938 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.223 9.726 7.194 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.785 8.831 5.735 1.00 0.00 H new ATOM 430 N LEU A 31 0.443 7.835 2.750 1.00 0.00 N ATOM 431 CA LEU A 31 1.394 7.638 1.669 1.00 0.00 C ATOM 432 C LEU A 31 1.216 8.747 0.631 1.00 0.00 C ATOM 433 O LEU A 31 1.877 8.743 -0.407 1.00 0.00 O ATOM 434 CB LEU A 31 1.262 6.228 1.092 1.00 0.00 C ATOM 435 CG LEU A 31 1.593 5.078 2.046 1.00 0.00 C ATOM 436 CD1 LEU A 31 0.605 3.923 1.874 1.00 0.00 C ATOM 437 CD2 LEU A 31 3.043 4.623 1.873 1.00 0.00 C ATOM 0 H LEU A 31 -0.397 7.260 2.690 1.00 0.00 H new ATOM 0 HA LEU A 31 2.416 7.711 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.240 6.096 0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.914 6.151 0.222 1.00 0.00 H new ATOM 0 HG LEU A 31 1.490 5.441 3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.862 3.119 2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.405 4.274 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.653 3.553 0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.252 3.805 2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.198 4.283 0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.713 5.456 2.084 1.00 0.00 H new ATOM 449 N PHE A 32 0.320 9.671 0.946 1.00 0.00 N ATOM 450 CA PHE A 32 0.047 10.784 0.053 1.00 0.00 C ATOM 451 C PHE A 32 0.142 12.119 0.795 1.00 0.00 C ATOM 452 O PHE A 32 0.737 13.071 0.293 1.00 0.00 O ATOM 453 CB PHE A 32 -1.382 10.603 -0.464 1.00 0.00 C ATOM 454 CG PHE A 32 -1.509 9.583 -1.597 1.00 0.00 C ATOM 455 CD1 PHE A 32 -1.335 8.258 -1.343 1.00 0.00 C ATOM 456 CD2 PHE A 32 -1.795 10.000 -2.860 1.00 0.00 C ATOM 457 CE1 PHE A 32 -1.452 7.311 -2.395 1.00 0.00 C ATOM 458 CE2 PHE A 32 -1.912 9.053 -3.911 1.00 0.00 C ATOM 459 CZ PHE A 32 -1.739 7.729 -3.657 1.00 0.00 C ATOM 0 H PHE A 32 -0.226 9.672 1.807 1.00 0.00 H new ATOM 0 HA PHE A 32 0.775 10.797 -0.758 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.020 10.293 0.363 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.756 11.566 -0.812 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.108 7.926 -0.341 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.933 11.052 -3.063 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.313 6.259 -2.193 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.139 9.385 -4.913 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.829 7.009 -4.457 1.00 0.00 H new ATOM 469 N GLU A 33 -0.453 12.145 1.979 1.00 0.00 N ATOM 470 CA GLU A 33 -0.443 13.347 2.795 1.00 0.00 C ATOM 471 C GLU A 33 0.970 13.626 3.312 1.00 0.00 C ATOM 472 O GLU A 33 1.261 14.728 3.772 1.00 0.00 O ATOM 473 CB GLU A 33 -1.437 13.233 3.952 1.00 0.00 C ATOM 474 CG GLU A 33 -2.217 14.535 4.136 1.00 0.00 C ATOM 475 CD GLU A 33 -3.686 14.355 3.748 1.00 0.00 C ATOM 476 OE1 GLU A 33 -3.920 13.913 2.602 1.00 0.00 O ATOM 477 OE2 GLU A 33 -4.541 14.663 4.605 1.00 0.00 O ATOM 0 H GLU A 33 -0.945 11.353 2.392 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.754 14.187 2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.130 12.414 3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.904 12.992 4.872 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.149 14.860 5.174 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.770 15.320 3.526 1.00 0.00 H new ATOM 484 N THR A 34 1.812 12.606 3.218 1.00 0.00 N ATOM 485 CA THR A 34 3.188 12.728 3.670 1.00 0.00 C ATOM 486 C THR A 34 4.108 13.060 2.494 1.00 0.00 C ATOM 487 O THR A 34 5.263 13.435 2.691 1.00 0.00 O ATOM 488 CB THR A 34 3.564 11.432 4.390 1.00 0.00 C ATOM 489 OG1 THR A 34 2.650 11.361 5.480 1.00 0.00 O ATOM 490 CG2 THR A 34 4.938 11.513 5.060 1.00 0.00 C ATOM 0 H THR A 34 1.568 11.692 2.836 1.00 0.00 H new ATOM 0 HA THR A 34 3.303 13.553 4.373 1.00 0.00 H new ATOM 0 HB THR A 34 3.554 10.606 3.679 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.985 10.663 5.304 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.157 10.568 5.557 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.699 11.711 4.306 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.937 12.318 5.795 1.00 0.00 H new ATOM 498 N GLY A 35 3.562 12.912 1.295 1.00 0.00 N ATOM 499 CA GLY A 35 4.320 13.191 0.088 1.00 0.00 C ATOM 500 C GLY A 35 5.203 12.001 -0.294 1.00 0.00 C ATOM 501 O GLY A 35 6.224 12.169 -0.959 1.00 0.00 O ATOM 0 H GLY A 35 2.603 12.602 1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.637 13.418 -0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.940 14.074 0.240 1.00 0.00 H new ATOM 505 N LEU A 36 4.777 10.825 0.146 1.00 0.00 N ATOM 506 CA LEU A 36 5.517 9.607 -0.141 1.00 0.00 C ATOM 507 C LEU A 36 5.113 9.084 -1.521 1.00 0.00 C ATOM 508 O LEU A 36 5.935 8.515 -2.237 1.00 0.00 O ATOM 509 CB LEU A 36 5.326 8.587 0.984 1.00 0.00 C ATOM 510 CG LEU A 36 5.667 9.073 2.394 1.00 0.00 C ATOM 511 CD1 LEU A 36 5.059 8.151 3.452 1.00 0.00 C ATOM 512 CD2 LEU A 36 7.178 9.229 2.570 1.00 0.00 C ATOM 0 H LEU A 36 3.930 10.690 0.698 1.00 0.00 H new ATOM 0 HA LEU A 36 6.587 9.810 -0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.287 8.257 0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.940 7.713 0.764 1.00 0.00 H new ATOM 0 HG LEU A 36 5.224 10.059 2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.316 8.518 4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.975 8.134 3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.452 7.142 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.393 9.576 3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.665 8.268 2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.555 9.955 1.850 1.00 0.00 H new ATOM 524 N LEU A 37 3.848 9.296 -1.852 1.00 0.00 N ATOM 525 CA LEU A 37 3.325 8.851 -3.133 1.00 0.00 C ATOM 526 C LEU A 37 2.722 10.046 -3.874 1.00 0.00 C ATOM 527 O LEU A 37 2.665 11.150 -3.336 1.00 0.00 O ATOM 528 CB LEU A 37 2.348 7.690 -2.940 1.00 0.00 C ATOM 529 CG LEU A 37 2.366 6.611 -4.024 1.00 0.00 C ATOM 530 CD1 LEU A 37 2.771 5.255 -3.443 1.00 0.00 C ATOM 531 CD2 LEU A 37 1.022 6.543 -4.753 1.00 0.00 C ATOM 0 H LEU A 37 3.170 9.770 -1.256 1.00 0.00 H new ATOM 0 HA LEU A 37 4.128 8.459 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.561 7.217 -1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.339 8.097 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 37 3.120 6.883 -4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.776 4.506 -4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.768 5.329 -3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.059 4.962 -2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.062 5.768 -5.518 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.232 6.308 -4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.813 7.505 -5.221 1.00 0.00 H new ATOM 543 N ASP A 38 2.286 9.784 -5.098 1.00 0.00 N ATOM 544 CA ASP A 38 1.690 10.824 -5.918 1.00 0.00 C ATOM 545 C ASP A 38 0.389 10.301 -6.531 1.00 0.00 C ATOM 546 O ASP A 38 -0.694 10.777 -6.194 1.00 0.00 O ATOM 547 CB ASP A 38 2.622 11.227 -7.063 1.00 0.00 C ATOM 548 CG ASP A 38 2.870 12.731 -7.196 1.00 0.00 C ATOM 549 OD1 ASP A 38 2.738 13.422 -6.163 1.00 0.00 O ATOM 550 OD2 ASP A 38 3.188 13.155 -8.328 1.00 0.00 O ATOM 0 H ASP A 38 2.334 8.866 -5.541 1.00 0.00 H new ATOM 0 HA ASP A 38 1.506 11.690 -5.282 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.580 10.727 -6.924 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.203 10.859 -7.999 1.00 0.00 H new ATOM 555 N SER A 39 0.539 9.330 -7.419 1.00 0.00 N ATOM 556 CA SER A 39 -0.611 8.737 -8.081 1.00 0.00 C ATOM 557 C SER A 39 -0.176 7.512 -8.887 1.00 0.00 C ATOM 558 O SER A 39 -0.695 6.415 -8.685 1.00 0.00 O ATOM 559 CB SER A 39 -1.306 9.752 -8.992 1.00 0.00 C ATOM 560 OG SER A 39 -2.257 9.133 -9.852 1.00 0.00 O ATOM 0 H SER A 39 1.439 8.939 -7.696 1.00 0.00 H new ATOM 0 HA SER A 39 -1.324 8.427 -7.317 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.805 10.505 -8.382 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.559 10.272 -9.592 1.00 0.00 H new ATOM 0 HG SER A 39 -2.680 9.814 -10.416 1.00 0.00 H new ATOM 566 N MET A 40 0.773 7.739 -9.784 1.00 0.00 N ATOM 567 CA MET A 40 1.284 6.667 -10.622 1.00 0.00 C ATOM 568 C MET A 40 1.860 5.534 -9.770 1.00 0.00 C ATOM 569 O MET A 40 1.925 4.389 -10.215 1.00 0.00 O ATOM 570 CB MET A 40 2.372 7.216 -11.546 1.00 0.00 C ATOM 571 CG MET A 40 1.758 7.891 -12.774 1.00 0.00 C ATOM 572 SD MET A 40 1.695 6.740 -14.137 1.00 0.00 S ATOM 573 CE MET A 40 -0.065 6.711 -14.437 1.00 0.00 C ATOM 0 H MET A 40 1.201 8.650 -9.949 1.00 0.00 H new ATOM 0 HA MET A 40 0.460 6.269 -11.214 1.00 0.00 H new ATOM 0 HB2 MET A 40 2.988 7.932 -11.003 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.029 6.406 -11.862 1.00 0.00 H new ATOM 0 HG2 MET A 40 0.754 8.246 -12.540 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.348 8.764 -13.052 1.00 0.00 H new ATOM 0 HE1 MET A 40 -0.286 6.008 -15.241 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.584 6.400 -13.530 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.402 7.707 -14.723 1.00 0.00 H new ATOM 583 N GLY A 41 2.266 5.893 -8.561 1.00 0.00 N ATOM 584 CA GLY A 41 2.835 4.920 -7.644 1.00 0.00 C ATOM 585 C GLY A 41 1.860 3.769 -7.390 1.00 0.00 C ATOM 586 O GLY A 41 2.218 2.602 -7.542 1.00 0.00 O ATOM 0 H GLY A 41 2.212 6.844 -8.195 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.766 4.529 -8.055 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.083 5.406 -6.700 1.00 0.00 H new ATOM 590 N THR A 42 0.646 4.138 -7.007 1.00 0.00 N ATOM 591 CA THR A 42 -0.383 3.150 -6.730 1.00 0.00 C ATOM 592 C THR A 42 -0.465 2.131 -7.870 1.00 0.00 C ATOM 593 O THR A 42 -0.679 0.944 -7.630 1.00 0.00 O ATOM 594 CB THR A 42 -1.698 3.894 -6.485 1.00 0.00 C ATOM 595 OG1 THR A 42 -2.295 3.192 -5.397 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.692 3.719 -7.633 1.00 0.00 C ATOM 0 H THR A 42 0.352 5.107 -6.882 1.00 0.00 H new ATOM 0 HA THR A 42 -0.147 2.573 -5.836 1.00 0.00 H new ATOM 0 HB THR A 42 -1.494 4.955 -6.341 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.153 3.609 -5.170 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.607 4.267 -7.408 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.255 4.104 -8.554 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.923 2.661 -7.756 1.00 0.00 H new ATOM 604 N VAL A 43 -0.290 2.634 -9.083 1.00 0.00 N ATOM 605 CA VAL A 43 -0.341 1.783 -10.259 1.00 0.00 C ATOM 606 C VAL A 43 0.720 0.688 -10.138 1.00 0.00 C ATOM 607 O VAL A 43 0.564 -0.398 -10.696 1.00 0.00 O ATOM 608 CB VAL A 43 -0.186 2.629 -11.524 1.00 0.00 C ATOM 609 CG1 VAL A 43 -0.371 1.775 -12.781 1.00 0.00 C ATOM 610 CG2 VAL A 43 -1.158 3.812 -11.516 1.00 0.00 C ATOM 0 H VAL A 43 -0.113 3.620 -9.277 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.310 1.289 -10.331 1.00 0.00 H new ATOM 0 HB VAL A 43 0.828 3.029 -11.537 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.256 2.401 -13.666 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.378 0.983 -12.796 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.367 1.332 -12.777 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.027 4.397 -12.426 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.182 3.441 -11.467 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.958 4.441 -10.649 1.00 0.00 H new ATOM 620 N GLN A 44 1.776 1.010 -9.406 1.00 0.00 N ATOM 621 CA GLN A 44 2.862 0.067 -9.204 1.00 0.00 C ATOM 622 C GLN A 44 2.446 -1.018 -8.210 1.00 0.00 C ATOM 623 O GLN A 44 2.314 -2.185 -8.578 1.00 0.00 O ATOM 624 CB GLN A 44 4.130 0.783 -8.734 1.00 0.00 C ATOM 625 CG GLN A 44 5.296 -0.197 -8.599 1.00 0.00 C ATOM 626 CD GLN A 44 6.593 0.417 -9.132 1.00 0.00 C ATOM 627 OE1 GLN A 44 6.856 0.438 -10.323 1.00 0.00 O ATOM 628 NE2 GLN A 44 7.386 0.912 -8.185 1.00 0.00 N ATOM 0 H GLN A 44 1.903 1.911 -8.945 1.00 0.00 H new ATOM 0 HA GLN A 44 3.085 -0.409 -10.159 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.391 1.569 -9.442 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.944 1.267 -7.775 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.424 -0.474 -7.553 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.071 -1.113 -9.146 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.104 0.861 -7.206 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.276 1.342 -8.438 1.00 0.00 H new ATOM 637 N LEU A 45 2.251 -0.597 -6.969 1.00 0.00 N ATOM 638 CA LEU A 45 1.852 -1.518 -5.919 1.00 0.00 C ATOM 639 C LEU A 45 0.786 -2.472 -6.461 1.00 0.00 C ATOM 640 O LEU A 45 0.880 -3.684 -6.276 1.00 0.00 O ATOM 641 CB LEU A 45 1.413 -0.751 -4.671 1.00 0.00 C ATOM 642 CG LEU A 45 1.002 0.706 -4.889 1.00 0.00 C ATOM 643 CD1 LEU A 45 -0.147 1.097 -3.957 1.00 0.00 C ATOM 644 CD2 LEU A 45 2.202 1.644 -4.742 1.00 0.00 C ATOM 0 H LEU A 45 2.362 0.371 -6.667 1.00 0.00 H new ATOM 0 HA LEU A 45 2.699 -2.129 -5.607 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.574 -1.281 -4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.229 -0.773 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 45 0.638 0.807 -5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.420 2.138 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.008 0.458 -4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.167 0.974 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.881 2.673 -4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.620 1.546 -3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.961 1.382 -5.479 1.00 0.00 H new ATOM 656 N LEU A 46 -0.203 -1.888 -7.121 1.00 0.00 N ATOM 657 CA LEU A 46 -1.287 -2.671 -7.692 1.00 0.00 C ATOM 658 C LEU A 46 -0.702 -3.833 -8.497 1.00 0.00 C ATOM 659 O LEU A 46 -1.181 -4.962 -8.402 1.00 0.00 O ATOM 660 CB LEU A 46 -2.227 -1.775 -8.501 1.00 0.00 C ATOM 661 CG LEU A 46 -3.260 -0.986 -7.694 1.00 0.00 C ATOM 662 CD1 LEU A 46 -4.376 -0.461 -8.598 1.00 0.00 C ATOM 663 CD2 LEU A 46 -3.807 -1.823 -6.535 1.00 0.00 C ATOM 0 H LEU A 46 -0.277 -0.882 -7.273 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.899 -3.106 -6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.623 -1.068 -9.070 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.757 -2.396 -9.223 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.763 -0.119 -7.258 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.097 0.096 -8.000 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.951 0.195 -9.358 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.877 -1.299 -9.082 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.539 -1.238 -5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.283 -2.721 -6.928 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.989 -2.106 -5.873 1.00 0.00 H new ATOM 675 N LEU A 47 0.326 -3.517 -9.271 1.00 0.00 N ATOM 676 CA LEU A 47 0.982 -4.521 -10.092 1.00 0.00 C ATOM 677 C LEU A 47 1.769 -5.475 -9.191 1.00 0.00 C ATOM 678 O LEU A 47 2.019 -6.621 -9.564 1.00 0.00 O ATOM 679 CB LEU A 47 1.833 -3.854 -11.174 1.00 0.00 C ATOM 680 CG LEU A 47 1.750 -4.475 -12.570 1.00 0.00 C ATOM 681 CD1 LEU A 47 2.204 -5.936 -12.548 1.00 0.00 C ATOM 682 CD2 LEU A 47 0.345 -4.321 -13.156 1.00 0.00 C ATOM 0 H LEU A 47 0.721 -2.580 -9.347 1.00 0.00 H new ATOM 0 HA LEU A 47 0.244 -5.121 -10.624 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.539 -2.807 -11.246 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.874 -3.871 -10.852 1.00 0.00 H new ATOM 0 HG LEU A 47 2.433 -3.935 -13.225 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.135 -6.354 -13.553 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.236 -5.991 -12.202 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.564 -6.506 -11.874 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.313 -4.771 -14.148 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.376 -4.820 -12.508 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.095 -3.263 -13.229 1.00 0.00 H new ATOM 694 N GLU A 48 2.135 -4.968 -8.023 1.00 0.00 N ATOM 695 CA GLU A 48 2.889 -5.762 -7.067 1.00 0.00 C ATOM 696 C GLU A 48 1.937 -6.518 -6.139 1.00 0.00 C ATOM 697 O GLU A 48 2.352 -7.436 -5.433 1.00 0.00 O ATOM 698 CB GLU A 48 3.855 -4.884 -6.267 1.00 0.00 C ATOM 699 CG GLU A 48 5.308 -5.244 -6.578 1.00 0.00 C ATOM 700 CD GLU A 48 5.635 -4.985 -8.050 1.00 0.00 C ATOM 701 OE1 GLU A 48 5.573 -3.802 -8.445 1.00 0.00 O ATOM 702 OE2 GLU A 48 5.938 -5.978 -8.747 1.00 0.00 O ATOM 0 H GLU A 48 1.924 -4.018 -7.717 1.00 0.00 H new ATOM 0 HA GLU A 48 3.484 -6.491 -7.617 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.678 -3.835 -6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.666 -5.008 -5.201 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.975 -4.658 -5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.485 -6.293 -6.342 1.00 0.00 H new ATOM 709 N LEU A 49 0.679 -6.104 -6.169 1.00 0.00 N ATOM 710 CA LEU A 49 -0.336 -6.732 -5.338 1.00 0.00 C ATOM 711 C LEU A 49 -1.125 -7.738 -6.179 1.00 0.00 C ATOM 712 O LEU A 49 -1.840 -8.579 -5.636 1.00 0.00 O ATOM 713 CB LEU A 49 -1.210 -5.670 -4.668 1.00 0.00 C ATOM 714 CG LEU A 49 -0.602 -4.972 -3.450 1.00 0.00 C ATOM 715 CD1 LEU A 49 -1.612 -4.024 -2.800 1.00 0.00 C ATOM 716 CD2 LEU A 49 -0.048 -5.991 -2.453 1.00 0.00 C ATOM 0 H LEU A 49 0.339 -5.342 -6.755 1.00 0.00 H new ATOM 0 HA LEU A 49 0.127 -7.290 -4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.459 -4.911 -5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.147 -6.138 -4.364 1.00 0.00 H new ATOM 0 HG LEU A 49 0.237 -4.365 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.154 -3.541 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.916 -3.266 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.487 -4.589 -2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.378 -5.468 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.853 -6.644 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.726 -6.588 -2.935 1.00 0.00 H new ATOM 728 N GLN A 50 -0.968 -7.619 -7.488 1.00 0.00 N ATOM 729 CA GLN A 50 -1.657 -8.508 -8.409 1.00 0.00 C ATOM 730 C GLN A 50 -0.681 -9.538 -8.982 1.00 0.00 C ATOM 731 O GLN A 50 -0.961 -10.159 -10.007 1.00 0.00 O ATOM 732 CB GLN A 50 -2.342 -7.718 -9.525 1.00 0.00 C ATOM 733 CG GLN A 50 -3.389 -8.573 -10.240 1.00 0.00 C ATOM 734 CD GLN A 50 -4.255 -7.719 -11.167 1.00 0.00 C ATOM 735 OE1 GLN A 50 -3.897 -6.619 -11.554 1.00 0.00 O ATOM 736 NE2 GLN A 50 -5.411 -8.285 -11.501 1.00 0.00 N ATOM 0 H GLN A 50 -0.374 -6.920 -7.934 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.433 -9.040 -7.859 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.816 -6.830 -9.108 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.597 -7.374 -10.242 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.893 -9.354 -10.817 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.020 -9.072 -9.504 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.649 -9.209 -11.141 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.060 -7.795 -12.117 1.00 0.00 H new ATOM 745 N SER A 51 0.443 -9.686 -8.299 1.00 0.00 N ATOM 746 CA SER A 51 1.461 -10.629 -8.728 1.00 0.00 C ATOM 747 C SER A 51 1.815 -11.576 -7.580 1.00 0.00 C ATOM 748 O SER A 51 1.668 -12.792 -7.705 1.00 0.00 O ATOM 749 CB SER A 51 2.714 -9.900 -9.219 1.00 0.00 C ATOM 750 OG SER A 51 3.110 -10.335 -10.517 1.00 0.00 O ATOM 0 H SER A 51 0.672 -9.168 -7.450 1.00 0.00 H new ATOM 0 HA SER A 51 1.061 -11.210 -9.559 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.525 -8.827 -9.238 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.530 -10.067 -8.516 1.00 0.00 H new ATOM 0 HG SER A 51 3.912 -9.845 -10.796 1.00 0.00 H new ATOM 756 N GLN A 52 2.272 -10.985 -6.485 1.00 0.00 N ATOM 757 CA GLN A 52 2.648 -11.761 -5.317 1.00 0.00 C ATOM 758 C GLN A 52 1.408 -12.101 -4.485 1.00 0.00 C ATOM 759 O GLN A 52 1.395 -13.096 -3.762 1.00 0.00 O ATOM 760 CB GLN A 52 3.686 -11.018 -4.474 1.00 0.00 C ATOM 761 CG GLN A 52 4.852 -10.538 -5.340 1.00 0.00 C ATOM 762 CD GLN A 52 4.667 -9.075 -5.748 1.00 0.00 C ATOM 763 OE1 GLN A 52 4.485 -8.746 -6.909 1.00 0.00 O ATOM 764 NE2 GLN A 52 4.722 -8.219 -4.732 1.00 0.00 N ATOM 0 H GLN A 52 2.390 -9.977 -6.383 1.00 0.00 H new ATOM 0 HA GLN A 52 3.103 -12.692 -5.655 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.218 -10.165 -3.983 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.058 -11.674 -3.687 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.787 -10.651 -4.792 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.928 -11.161 -6.231 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.877 -8.562 -3.784 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.609 -7.219 -4.901 1.00 0.00 H new ATOM 773 N PHE A 53 0.397 -11.254 -4.616 1.00 0.00 N ATOM 774 CA PHE A 53 -0.843 -11.452 -3.885 1.00 0.00 C ATOM 775 C PHE A 53 -2.023 -11.627 -4.845 1.00 0.00 C ATOM 776 O PHE A 53 -3.120 -11.991 -4.425 1.00 0.00 O ATOM 777 CB PHE A 53 -1.071 -10.197 -3.042 1.00 0.00 C ATOM 778 CG PHE A 53 0.196 -9.660 -2.370 1.00 0.00 C ATOM 779 CD1 PHE A 53 1.165 -9.071 -3.120 1.00 0.00 C ATOM 780 CD2 PHE A 53 0.352 -9.774 -1.024 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.340 -8.574 -2.497 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.526 -9.275 -0.401 1.00 0.00 C ATOM 783 CZ PHE A 53 2.496 -8.686 -1.150 1.00 0.00 C ATOM 0 H PHE A 53 0.411 -10.430 -5.217 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.772 -12.349 -3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.492 -9.417 -3.676 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.812 -10.417 -2.274 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.041 -8.981 -4.189 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.417 -10.244 -0.429 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.110 -8.107 -3.093 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.649 -9.363 0.668 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.390 -8.307 -0.676 1.00 0.00 H new ATOM 793 N GLY A 54 -1.754 -11.361 -6.115 1.00 0.00 N ATOM 794 CA GLY A 54 -2.780 -11.485 -7.138 1.00 0.00 C ATOM 795 C GLY A 54 -4.103 -10.882 -6.663 1.00 0.00 C ATOM 796 O GLY A 54 -5.155 -11.506 -6.787 1.00 0.00 O ATOM 0 H GLY A 54 -0.842 -11.061 -6.459 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.453 -10.983 -8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.924 -12.536 -7.388 1.00 0.00 H new ATOM 800 N VAL A 55 -4.008 -9.673 -6.130 1.00 0.00 N ATOM 801 CA VAL A 55 -5.184 -8.977 -5.636 1.00 0.00 C ATOM 802 C VAL A 55 -6.024 -8.500 -6.822 1.00 0.00 C ATOM 803 O VAL A 55 -5.540 -8.455 -7.952 1.00 0.00 O ATOM 804 CB VAL A 55 -4.766 -7.839 -4.704 1.00 0.00 C ATOM 805 CG1 VAL A 55 -4.288 -6.623 -5.502 1.00 0.00 C ATOM 806 CG2 VAL A 55 -5.906 -7.458 -3.757 1.00 0.00 C ATOM 0 H VAL A 55 -3.134 -9.157 -6.029 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.806 -9.650 -5.046 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.931 -8.193 -4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.997 -5.828 -4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.432 -6.904 -6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.094 -6.270 -6.145 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.582 -6.647 -3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.769 -7.134 -4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.180 -8.322 -3.152 1.00 0.00 H new ATOM 816 N ASP A 56 -7.269 -8.157 -6.524 1.00 0.00 N ATOM 817 CA ASP A 56 -8.182 -7.685 -7.552 1.00 0.00 C ATOM 818 C ASP A 56 -8.639 -6.266 -7.210 1.00 0.00 C ATOM 819 O ASP A 56 -9.742 -5.860 -7.575 1.00 0.00 O ATOM 820 CB ASP A 56 -9.422 -8.574 -7.638 1.00 0.00 C ATOM 821 CG ASP A 56 -9.493 -9.469 -8.878 1.00 0.00 C ATOM 822 OD1 ASP A 56 -9.293 -8.921 -9.984 1.00 0.00 O ATOM 823 OD2 ASP A 56 -9.748 -10.678 -8.692 1.00 0.00 O ATOM 0 H ASP A 56 -7.667 -8.197 -5.586 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.656 -7.708 -8.506 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.460 -9.205 -6.750 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.308 -7.939 -7.616 1.00 0.00 H new ATOM 828 N ALA A 57 -7.770 -5.550 -6.512 1.00 0.00 N ATOM 829 CA ALA A 57 -8.071 -4.185 -6.116 1.00 0.00 C ATOM 830 C ALA A 57 -8.703 -3.444 -7.296 1.00 0.00 C ATOM 831 O ALA A 57 -8.499 -3.817 -8.450 1.00 0.00 O ATOM 832 CB ALA A 57 -6.795 -3.504 -5.616 1.00 0.00 C ATOM 0 H ALA A 57 -6.857 -5.890 -6.210 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.789 -4.173 -5.296 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.022 -2.480 -5.319 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.402 -4.052 -4.759 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.051 -3.495 -6.413 1.00 0.00 H new ATOM 838 N PRO A 58 -9.477 -2.378 -6.958 1.00 0.00 N ATOM 839 CA PRO A 58 -10.140 -1.580 -7.976 1.00 0.00 C ATOM 840 C PRO A 58 -9.142 -0.671 -8.695 1.00 0.00 C ATOM 841 O PRO A 58 -7.950 -0.689 -8.392 1.00 0.00 O ATOM 842 CB PRO A 58 -11.217 -0.809 -7.233 1.00 0.00 C ATOM 843 CG PRO A 58 -10.820 -0.847 -5.765 1.00 0.00 C ATOM 844 CD PRO A 58 -9.741 -1.906 -5.602 1.00 0.00 C ATOM 0 HA PRO A 58 -10.579 -2.188 -8.767 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.282 0.218 -7.594 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.197 -1.262 -7.384 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.451 0.127 -5.444 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.683 -1.082 -5.142 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.843 -1.489 -5.146 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.078 -2.719 -4.958 1.00 0.00 H new ATOM 852 N VAL A 59 -9.666 0.104 -9.634 1.00 0.00 N ATOM 853 CA VAL A 59 -8.836 1.019 -10.399 1.00 0.00 C ATOM 854 C VAL A 59 -9.682 2.210 -10.852 1.00 0.00 C ATOM 855 O VAL A 59 -9.257 3.358 -10.737 1.00 0.00 O ATOM 856 CB VAL A 59 -8.174 0.278 -11.563 1.00 0.00 C ATOM 857 CG1 VAL A 59 -7.039 1.106 -12.166 1.00 0.00 C ATOM 858 CG2 VAL A 59 -7.673 -1.099 -11.121 1.00 0.00 C ATOM 0 H VAL A 59 -10.655 0.117 -9.882 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.029 1.410 -9.780 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.927 0.129 -12.337 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.586 0.556 -12.991 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.435 2.052 -12.535 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.286 1.301 -11.403 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.207 -1.605 -11.966 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.942 -0.981 -10.321 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.513 -1.693 -10.761 1.00 0.00 H new ATOM 868 N SER A 60 -10.866 1.895 -11.359 1.00 0.00 N ATOM 869 CA SER A 60 -11.775 2.925 -11.831 1.00 0.00 C ATOM 870 C SER A 60 -11.705 4.147 -10.912 1.00 0.00 C ATOM 871 O SER A 60 -11.367 5.244 -11.356 1.00 0.00 O ATOM 872 CB SER A 60 -13.210 2.400 -11.907 1.00 0.00 C ATOM 873 OG SER A 60 -13.585 1.699 -10.724 1.00 0.00 O ATOM 0 H SER A 60 -11.216 0.941 -11.453 1.00 0.00 H new ATOM 0 HA SER A 60 -11.469 3.216 -12.836 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.893 3.234 -12.066 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.309 1.738 -12.767 1.00 0.00 H new ATOM 0 HG SER A 60 -14.508 1.381 -10.811 1.00 0.00 H new ATOM 879 N GLU A 61 -12.027 3.916 -9.649 1.00 0.00 N ATOM 880 CA GLU A 61 -12.005 4.984 -8.663 1.00 0.00 C ATOM 881 C GLU A 61 -11.965 4.401 -7.249 1.00 0.00 C ATOM 882 O GLU A 61 -12.944 4.489 -6.510 1.00 0.00 O ATOM 883 CB GLU A 61 -13.205 5.917 -8.838 1.00 0.00 C ATOM 884 CG GLU A 61 -12.750 7.349 -9.124 1.00 0.00 C ATOM 885 CD GLU A 61 -13.781 8.363 -8.625 1.00 0.00 C ATOM 886 OE1 GLU A 61 -13.895 8.493 -7.387 1.00 0.00 O ATOM 887 OE2 GLU A 61 -14.433 8.983 -9.492 1.00 0.00 O ATOM 0 H GLU A 61 -12.305 3.005 -9.284 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.102 5.575 -8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -13.831 5.560 -9.656 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.818 5.900 -7.937 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.791 7.533 -8.640 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.597 7.478 -10.195 1.00 0.00 H new ATOM 894 N PHE A 62 -10.822 3.819 -6.916 1.00 0.00 N ATOM 895 CA PHE A 62 -10.641 3.222 -5.604 1.00 0.00 C ATOM 896 C PHE A 62 -10.673 4.288 -4.507 1.00 0.00 C ATOM 897 O PHE A 62 -10.783 5.479 -4.796 1.00 0.00 O ATOM 898 CB PHE A 62 -9.268 2.549 -5.605 1.00 0.00 C ATOM 899 CG PHE A 62 -8.154 3.407 -6.209 1.00 0.00 C ATOM 900 CD1 PHE A 62 -7.534 4.350 -5.450 1.00 0.00 C ATOM 901 CD2 PHE A 62 -7.784 3.227 -7.505 1.00 0.00 C ATOM 902 CE1 PHE A 62 -6.501 5.146 -6.011 1.00 0.00 C ATOM 903 CE2 PHE A 62 -6.750 4.023 -8.065 1.00 0.00 C ATOM 904 CZ PHE A 62 -6.131 4.966 -7.307 1.00 0.00 C ATOM 0 H PHE A 62 -10.012 3.748 -7.532 1.00 0.00 H new ATOM 0 HA PHE A 62 -11.443 2.511 -5.405 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.000 2.293 -4.580 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.334 1.614 -6.161 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.827 4.493 -4.421 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.276 2.479 -8.108 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.009 5.895 -5.408 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.455 3.879 -9.094 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.346 5.572 -7.734 1.00 0.00 H new ATOM 914 N ASP A 63 -10.575 3.822 -3.271 1.00 0.00 N ATOM 915 CA ASP A 63 -10.592 4.721 -2.129 1.00 0.00 C ATOM 916 C ASP A 63 -9.155 5.106 -1.768 1.00 0.00 C ATOM 917 O ASP A 63 -8.464 4.360 -1.076 1.00 0.00 O ATOM 918 CB ASP A 63 -11.223 4.049 -0.907 1.00 0.00 C ATOM 919 CG ASP A 63 -11.724 2.623 -1.142 1.00 0.00 C ATOM 920 OD1 ASP A 63 -10.882 1.781 -1.523 1.00 0.00 O ATOM 921 OD2 ASP A 63 -12.937 2.406 -0.933 1.00 0.00 O ATOM 0 H ASP A 63 -10.484 2.834 -3.035 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.178 5.599 -2.400 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.490 4.032 -0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -12.058 4.660 -0.566 1.00 0.00 H new ATOM 926 N ARG A 64 -8.749 6.271 -2.253 1.00 0.00 N ATOM 927 CA ARG A 64 -7.408 6.763 -1.991 1.00 0.00 C ATOM 928 C ARG A 64 -7.082 6.649 -0.500 1.00 0.00 C ATOM 929 O ARG A 64 -5.935 6.410 -0.128 1.00 0.00 O ATOM 930 CB ARG A 64 -7.263 8.223 -2.427 1.00 0.00 C ATOM 931 CG ARG A 64 -6.697 8.318 -3.845 1.00 0.00 C ATOM 932 CD ARG A 64 -5.211 8.682 -3.818 1.00 0.00 C ATOM 933 NE ARG A 64 -4.403 7.551 -4.326 1.00 0.00 N ATOM 934 CZ ARG A 64 -4.121 7.352 -5.621 1.00 0.00 C ATOM 935 NH1 ARG A 64 -4.579 8.206 -6.546 1.00 0.00 N ATOM 936 NH2 ARG A 64 -3.380 6.297 -5.991 1.00 0.00 N ATOM 0 H ARG A 64 -9.326 6.888 -2.826 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.712 6.152 -2.566 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.234 8.717 -2.385 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.607 8.750 -1.734 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.833 7.367 -4.359 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.249 9.068 -4.411 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.034 9.568 -4.427 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.907 8.929 -2.801 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.038 6.881 -3.649 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.143 9.008 -6.265 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.364 8.054 -7.531 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.031 5.647 -5.287 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.165 6.145 -6.976 1.00 0.00 H new ATOM 950 N LYS A 65 -8.114 6.824 0.314 1.00 0.00 N ATOM 951 CA LYS A 65 -7.952 6.743 1.755 1.00 0.00 C ATOM 952 C LYS A 65 -7.510 5.328 2.135 1.00 0.00 C ATOM 953 O LYS A 65 -6.751 5.146 3.086 1.00 0.00 O ATOM 954 CB LYS A 65 -9.229 7.199 2.464 1.00 0.00 C ATOM 955 CG LYS A 65 -9.441 6.422 3.765 1.00 0.00 C ATOM 956 CD LYS A 65 -8.363 6.770 4.793 1.00 0.00 C ATOM 957 CE LYS A 65 -8.703 8.067 5.528 1.00 0.00 C ATOM 958 NZ LYS A 65 -9.631 7.801 6.650 1.00 0.00 N ATOM 0 H LYS A 65 -9.065 7.021 0.002 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.169 7.423 2.089 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.169 8.266 2.679 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.086 7.054 1.806 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.425 6.651 4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.422 5.351 3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.265 5.956 5.511 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.399 6.873 4.294 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.790 8.528 5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.155 8.776 4.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.851 8.693 7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.509 7.382 6.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.186 7.141 7.319 1.00 0.00 H new ATOM 972 N GLU A 66 -8.002 4.364 1.373 1.00 0.00 N ATOM 973 CA GLU A 66 -7.668 2.971 1.618 1.00 0.00 C ATOM 974 C GLU A 66 -6.307 2.637 1.004 1.00 0.00 C ATOM 975 O GLU A 66 -5.592 1.769 1.504 1.00 0.00 O ATOM 976 CB GLU A 66 -8.756 2.041 1.078 1.00 0.00 C ATOM 977 CG GLU A 66 -8.339 0.575 1.206 1.00 0.00 C ATOM 978 CD GLU A 66 -9.409 -0.352 0.627 1.00 0.00 C ATOM 979 OE1 GLU A 66 -9.553 -0.347 -0.614 1.00 0.00 O ATOM 980 OE2 GLU A 66 -10.059 -1.046 1.440 1.00 0.00 O ATOM 0 H GLU A 66 -8.630 4.519 0.585 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.608 2.817 2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.685 2.207 1.624 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.954 2.276 0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.394 0.415 0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.171 0.331 2.255 1.00 0.00 H new ATOM 987 N TRP A 67 -5.988 3.342 -0.070 1.00 0.00 N ATOM 988 CA TRP A 67 -4.725 3.131 -0.758 1.00 0.00 C ATOM 989 C TRP A 67 -3.789 4.285 -0.392 1.00 0.00 C ATOM 990 O TRP A 67 -2.880 4.617 -1.152 1.00 0.00 O ATOM 991 CB TRP A 67 -4.939 2.989 -2.266 1.00 0.00 C ATOM 992 CG TRP A 67 -5.927 1.889 -2.654 1.00 0.00 C ATOM 993 CD1 TRP A 67 -7.200 2.025 -3.051 1.00 0.00 C ATOM 994 CD2 TRP A 67 -5.670 0.468 -2.666 1.00 0.00 C ATOM 995 NE1 TRP A 67 -7.781 0.801 -3.316 1.00 0.00 N ATOM 996 CE2 TRP A 67 -6.821 -0.175 -3.075 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.506 -0.249 -2.341 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -6.918 -1.566 -3.198 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -4.619 -1.638 -2.469 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -5.770 -2.302 -2.880 1.00 0.00 C ATOM 0 H TRP A 67 -6.583 4.061 -0.482 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.264 2.195 -0.441 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -5.295 3.940 -2.663 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.979 2.785 -2.741 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.707 2.973 -3.151 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.738 0.642 -3.631 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.596 0.234 -2.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -7.830 -2.046 -3.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.752 -2.236 -2.232 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.778 -3.379 -2.953 1.00 0.00 H new ATOM 1011 N ASP A 68 -4.044 4.867 0.771 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.236 5.977 1.246 1.00 0.00 C ATOM 1013 C ASP A 68 -2.331 5.494 2.381 1.00 0.00 C ATOM 1014 O ASP A 68 -1.207 5.973 2.530 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.115 7.104 1.791 1.00 0.00 C ATOM 1016 CG ASP A 68 -3.519 7.877 2.969 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -2.536 8.610 2.728 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -4.060 7.717 4.084 1.00 0.00 O ATOM 0 H ASP A 68 -4.799 4.590 1.398 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.649 6.350 0.407 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.322 7.806 0.983 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.071 6.682 2.100 1.00 0.00 H new ATOM 1023 N THR A 69 -2.852 4.551 3.151 1.00 0.00 N ATOM 1024 CA THR A 69 -2.105 3.997 4.268 1.00 0.00 C ATOM 1025 C THR A 69 -1.682 2.559 3.966 1.00 0.00 C ATOM 1026 O THR A 69 -2.264 1.905 3.101 1.00 0.00 O ATOM 1027 CB THR A 69 -2.968 4.126 5.524 1.00 0.00 C ATOM 1028 OG1 THR A 69 -4.305 4.070 5.034 1.00 0.00 O ATOM 1029 CG2 THR A 69 -2.864 5.510 6.168 1.00 0.00 C ATOM 0 H THR A 69 -3.784 4.156 3.024 1.00 0.00 H new ATOM 0 HA THR A 69 -1.178 4.546 4.435 1.00 0.00 H new ATOM 0 HB THR A 69 -2.671 3.367 6.247 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.914 4.454 5.699 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.496 5.547 7.055 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.829 5.703 6.451 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.192 6.268 5.457 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.644 2.095 4.714 1.00 0.00 N ATOM 1038 CA PRO A 70 -0.137 0.746 4.534 1.00 0.00 C ATOM 1039 C PRO A 70 -1.087 -0.284 5.150 1.00 0.00 C ATOM 1040 O PRO A 70 -1.254 -1.377 4.613 1.00 0.00 O ATOM 1041 CB PRO A 70 1.236 0.753 5.186 1.00 0.00 C ATOM 1042 CG PRO A 70 1.254 1.961 6.108 1.00 0.00 C ATOM 1043 CD PRO A 70 0.070 2.841 5.746 1.00 0.00 C ATOM 0 HA PRO A 70 -0.064 0.460 3.485 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.408 -0.167 5.745 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.024 0.822 4.436 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.192 1.647 7.150 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.188 2.512 5.997 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.565 3.026 6.612 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.397 3.813 5.377 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.681 0.103 6.269 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.610 -0.773 6.965 1.00 0.00 C ATOM 1053 C ASN A 71 -3.849 -0.990 6.094 1.00 0.00 C ATOM 1054 O ASN A 71 -4.190 -2.126 5.766 1.00 0.00 O ATOM 1055 CB ASN A 71 -3.064 -0.154 8.287 1.00 0.00 C ATOM 1056 CG ASN A 71 -2.685 -1.047 9.470 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -2.862 -2.254 9.452 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -2.153 -0.389 10.496 1.00 0.00 N ATOM 0 H ASN A 71 -1.538 1.011 6.711 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.100 -1.716 7.164 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.608 0.829 8.408 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.144 -0.005 8.271 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.865 -0.896 11.333 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.033 0.623 10.446 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.487 0.116 5.742 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.681 0.060 4.915 1.00 0.00 C ATOM 1067 C LYS A 72 -5.404 -0.806 3.685 1.00 0.00 C ATOM 1068 O LYS A 72 -6.289 -1.518 3.211 1.00 0.00 O ATOM 1069 CB LYS A 72 -6.164 1.472 4.576 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.433 1.820 5.357 1.00 0.00 C ATOM 1071 CD LYS A 72 -7.606 3.335 5.477 1.00 0.00 C ATOM 1072 CE LYS A 72 -7.261 3.816 6.888 1.00 0.00 C ATOM 1073 NZ LYS A 72 -8.276 3.347 7.857 1.00 0.00 N ATOM 0 H LYS A 72 -4.200 1.056 6.014 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.500 -0.411 5.459 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.381 2.194 4.808 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.359 1.546 3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.301 1.390 4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.385 1.376 6.351 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.966 3.836 4.751 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.634 3.607 5.237 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.277 3.445 7.175 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.209 4.905 6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.281 3.976 8.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.214 3.357 7.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.047 2.379 8.159 1.00 0.00 H new ATOM 1087 N ILE A 73 -4.173 -0.719 3.204 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.768 -1.488 2.038 1.00 0.00 C ATOM 1089 C ILE A 73 -3.500 -2.934 2.454 1.00 0.00 C ATOM 1090 O ILE A 73 -4.006 -3.867 1.833 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.584 -0.818 1.341 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -3.015 0.475 0.644 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -1.896 -1.787 0.376 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -1.846 1.107 -0.112 1.00 0.00 C ATOM 0 H ILE A 73 -3.442 -0.128 3.600 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.570 -1.513 1.300 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.852 -0.545 2.101 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.829 0.264 -0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.399 1.179 1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.057 -1.286 -0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.532 -2.653 0.928 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.609 -2.113 -0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.180 2.024 -0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.043 1.339 0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.480 0.410 -0.866 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.704 -3.076 3.505 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.361 -4.395 4.011 1.00 0.00 C ATOM 1108 C ILE A 74 -3.643 -5.202 4.225 1.00 0.00 C ATOM 1109 O ILE A 74 -3.638 -6.426 4.100 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.491 -4.277 5.264 1.00 0.00 C ATOM 1111 CG1 ILE A 74 -0.005 -4.305 4.904 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -1.853 -5.357 6.286 1.00 0.00 C ATOM 1113 CD1 ILE A 74 0.865 -4.091 6.145 1.00 0.00 C ATOM 0 H ILE A 74 -2.287 -2.300 4.019 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.759 -4.939 3.283 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.692 -3.312 5.730 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.243 -5.261 4.442 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.209 -3.530 4.168 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.220 -5.251 7.167 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.898 -5.249 6.575 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.699 -6.342 5.845 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.917 -4.116 5.861 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.632 -3.124 6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.666 -4.881 6.869 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.710 -4.485 4.546 1.00 0.00 N ATOM 1126 CA ALA A 75 -5.996 -5.121 4.779 1.00 0.00 C ATOM 1127 C ALA A 75 -6.638 -5.472 3.435 1.00 0.00 C ATOM 1128 O ALA A 75 -7.413 -6.421 3.342 1.00 0.00 O ATOM 1129 CB ALA A 75 -6.877 -4.196 5.622 1.00 0.00 C ATOM 0 H ALA A 75 -4.711 -3.470 4.650 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.870 -6.049 5.336 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.842 -4.672 5.797 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.390 -4.001 6.577 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.028 -3.255 5.093 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.290 -4.684 2.426 1.00 0.00 N ATOM 1136 CA LYS A 76 -6.823 -4.901 1.091 1.00 0.00 C ATOM 1137 C LYS A 76 -6.101 -6.084 0.444 1.00 0.00 C ATOM 1138 O LYS A 76 -6.557 -6.617 -0.566 1.00 0.00 O ATOM 1139 CB LYS A 76 -6.749 -3.612 0.271 1.00 0.00 C ATOM 1140 CG LYS A 76 -7.908 -3.530 -0.726 1.00 0.00 C ATOM 1141 CD LYS A 76 -9.256 -3.548 -0.004 1.00 0.00 C ATOM 1142 CE LYS A 76 -10.353 -2.932 -0.874 1.00 0.00 C ATOM 1143 NZ LYS A 76 -11.365 -3.952 -1.229 1.00 0.00 N ATOM 0 H LYS A 76 -5.647 -3.896 2.507 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.880 -5.162 1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.776 -2.750 0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.800 -3.571 -0.264 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.820 -2.618 -1.317 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.853 -4.367 -1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.522 -4.574 0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.178 -2.997 0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.829 -2.109 -0.341 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.915 -2.514 -1.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.103 -3.518 -1.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.909 -4.724 -1.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.795 -4.331 -0.361 1.00 0.00 H new ATOM 1157 N VAL A 77 -4.986 -6.459 1.053 1.00 0.00 N ATOM 1158 CA VAL A 77 -4.195 -7.570 0.548 1.00 0.00 C ATOM 1159 C VAL A 77 -4.615 -8.856 1.264 1.00 0.00 C ATOM 1160 O VAL A 77 -4.418 -9.953 0.744 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.704 -7.262 0.697 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -1.851 -8.445 0.234 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -2.329 -5.985 -0.057 1.00 0.00 C ATOM 0 H VAL A 77 -4.611 -6.014 1.891 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.377 -7.716 -0.517 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.500 -7.097 1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.795 -8.200 0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.088 -9.322 0.836 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.061 -8.657 -0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.264 -5.790 0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.556 -6.108 -1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.900 -5.146 0.341 1.00 0.00 H new ATOM 1173 N GLU A 78 -5.186 -8.677 2.445 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.636 -9.809 3.238 1.00 0.00 C ATOM 1175 C GLU A 78 -7.104 -10.118 2.938 1.00 0.00 C ATOM 1176 O GLU A 78 -7.540 -11.261 3.064 1.00 0.00 O ATOM 1177 CB GLU A 78 -5.424 -9.552 4.731 1.00 0.00 C ATOM 1178 CG GLU A 78 -3.963 -9.784 5.125 1.00 0.00 C ATOM 1179 CD GLU A 78 -3.703 -11.261 5.423 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -3.881 -11.643 6.600 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -3.333 -11.977 4.467 1.00 0.00 O ATOM 0 H GLU A 78 -5.348 -7.765 2.873 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.039 -10.679 2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.711 -8.529 4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.070 -10.210 5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.308 -9.451 4.320 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.720 -9.184 6.002 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.826 -9.078 2.547 1.00 0.00 N ATOM 1189 CA GLN A 79 -9.236 -9.223 2.228 1.00 0.00 C ATOM 1190 C GLN A 79 -9.415 -9.541 0.742 1.00 0.00 C ATOM 1191 O GLN A 79 -10.497 -9.354 0.189 1.00 0.00 O ATOM 1192 CB GLN A 79 -10.019 -7.968 2.617 1.00 0.00 C ATOM 1193 CG GLN A 79 -10.481 -8.039 4.074 1.00 0.00 C ATOM 1194 CD GLN A 79 -10.824 -6.648 4.611 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -11.978 -6.277 4.753 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -9.761 -5.903 4.897 1.00 0.00 N ATOM 0 H GLN A 79 -7.461 -8.131 2.444 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.635 -10.055 2.809 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.395 -7.086 2.472 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.884 -7.857 1.963 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.354 -8.687 4.151 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.697 -8.486 4.686 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.823 -6.277 4.754 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.883 -4.958 5.260 1.00 0.00 H new ATOM 1205 N ALA A 80 -8.336 -10.018 0.138 1.00 0.00 N ATOM 1206 CA ALA A 80 -8.360 -10.364 -1.273 1.00 0.00 C ATOM 1207 C ALA A 80 -8.124 -11.868 -1.429 1.00 0.00 C ATOM 1208 O ALA A 80 -8.774 -12.520 -2.244 1.00 0.00 O ATOM 1209 CB ALA A 80 -7.317 -9.530 -2.021 1.00 0.00 C ATOM 0 H ALA A 80 -7.440 -10.173 0.600 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.333 -10.136 -1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.335 -9.789 -3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.545 -8.471 -1.903 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.327 -9.735 -1.614 1.00 0.00 H new ATOM 1215 N GLN A 81 -7.194 -12.374 -0.634 1.00 0.00 N ATOM 1216 CA GLN A 81 -6.865 -13.789 -0.674 1.00 0.00 C ATOM 1217 C GLN A 81 -8.121 -14.633 -0.446 1.00 0.00 C ATOM 1218 O GLN A 81 -8.107 -15.844 -0.662 1.00 0.00 O ATOM 1219 CB GLN A 81 -5.783 -14.130 0.354 1.00 0.00 C ATOM 1220 CG GLN A 81 -4.476 -13.402 0.035 1.00 0.00 C ATOM 1221 CD GLN A 81 -4.114 -13.547 -1.445 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -3.432 -14.472 -1.857 1.00 0.00 O ATOM 1223 NE2 GLN A 81 -4.609 -12.586 -2.219 1.00 0.00 N ATOM 0 H GLN A 81 -6.658 -11.830 0.042 1.00 0.00 H new ATOM 0 HA GLN A 81 -6.468 -14.021 -1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -6.124 -13.853 1.352 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.611 -15.206 0.363 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.573 -12.346 0.288 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.672 -13.805 0.651 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.172 -11.841 -1.809 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.426 -12.594 -3.222 1.00 0.00 H new