USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 701 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 ASN : amide:sc= 0.134 X(o=0.13,f=-0.0064) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00846 USER MOD Single : A 21 LYS NZ :NH3+ -156:sc= 1.25 (180deg=0.496) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -157:sc= 1.28 (180deg=1.08) USER MOD Single : A 26 LYS NZ :NH3+ -100:sc= -1.43 (180deg=-1.61!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 22:sc= 0.936 USER MOD Single : A 47 MET CE :methyl 177:sc= -1.19 (180deg=-1.24) USER MOD Single : A 53 THR OG1 : rot 85:sc= 1.28 USER MOD Single : A 55 LYS NZ :NH3+ 132:sc= -1.43 (180deg=-3.45!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 31:sc= 1.2 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0461 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 78:sc= 1.19 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 76 MET CE :methyl -170:sc= -1.18 (180deg=-1.43) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl -135:sc= -0.0522 (180deg=-0.887) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 77:sc= 0.507 USER MOD ----------------------------------------------------------------- ATOM 27 N ARG A 3 -9.995 11.097 -0.199 1.00 1.00 N ATOM 28 CA ARG A 3 -10.326 9.758 -0.714 1.00 1.00 C ATOM 29 C ARG A 3 -9.135 8.867 -0.991 1.00 1.00 C ATOM 30 O ARG A 3 -9.252 7.673 -0.759 1.00 1.00 O ATOM 31 CB ARG A 3 -11.190 9.853 -1.966 1.00 1.00 C ATOM 32 CG ARG A 3 -12.633 10.171 -1.572 1.00 1.00 C ATOM 33 CD ARG A 3 -13.403 10.841 -2.708 1.00 1.00 C ATOM 34 NE ARG A 3 -14.686 11.371 -2.228 1.00 1.00 N ATOM 35 CZ ARG A 3 -14.854 12.424 -1.418 1.00 1.00 C ATOM 36 NH1 ARG A 3 -13.809 13.128 -0.989 1.00 1.00 N ATOM 37 NH2 ARG A 3 -16.074 12.774 -1.043 1.00 1.00 N ATOM 0 HA ARG A 3 -10.878 9.283 0.097 1.00 1.00 H new ATOM 0 HB2 ARG A 3 -10.804 10.628 -2.628 1.00 1.00 H new ATOM 0 HB3 ARG A 3 -11.152 8.914 -2.518 1.00 1.00 H new ATOM 0 HG2 ARG A 3 -13.141 9.251 -1.283 1.00 1.00 H new ATOM 0 HG3 ARG A 3 -12.635 10.823 -0.699 1.00 1.00 H new ATOM 0 HD2 ARG A 3 -12.806 11.649 -3.131 1.00 1.00 H new ATOM 0 HD3 ARG A 3 -13.578 10.122 -3.508 1.00 1.00 H new ATOM 0 HE ARG A 3 -15.530 10.891 -2.542 1.00 1.00 H new ATOM 0 HH11 ARG A 3 -12.866 12.868 -1.277 1.00 1.00 H new ATOM 0 HH12 ARG A 3 -13.951 13.928 -0.372 1.00 1.00 H new ATOM 0 HH21 ARG A 3 -16.880 12.242 -1.371 1.00 1.00 H new ATOM 0 HH22 ARG A 3 -16.208 13.575 -0.426 1.00 1.00 H new ATOM 51 N ALA A 4 -8.014 9.423 -1.456 1.00 1.00 N ATOM 52 CA ALA A 4 -6.794 8.643 -1.641 1.00 1.00 C ATOM 53 C ALA A 4 -6.413 7.988 -0.318 1.00 1.00 C ATOM 54 O ALA A 4 -6.350 6.768 -0.196 1.00 1.00 O ATOM 55 CB ALA A 4 -5.660 9.535 -2.173 1.00 1.00 C ATOM 0 H ALA A 4 -7.928 10.407 -1.710 1.00 1.00 H new ATOM 0 HA ALA A 4 -6.967 7.862 -2.381 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -4.758 8.937 -2.305 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -5.954 9.965 -3.131 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -5.463 10.336 -1.461 1.00 1.00 H new ATOM 61 N ARG A 5 -6.179 8.828 0.686 1.00 1.00 N ATOM 62 CA ARG A 5 -5.782 8.414 2.016 1.00 1.00 C ATOM 63 C ARG A 5 -6.848 7.530 2.631 1.00 1.00 C ATOM 64 O ARG A 5 -6.532 6.463 3.130 1.00 1.00 O ATOM 65 CB ARG A 5 -5.575 9.642 2.908 1.00 1.00 C ATOM 66 CG ARG A 5 -4.584 10.659 2.332 1.00 1.00 C ATOM 67 CD ARG A 5 -3.502 10.947 3.382 1.00 1.00 C ATOM 68 NE ARG A 5 -2.743 12.158 3.073 1.00 1.00 N ATOM 69 CZ ARG A 5 -1.819 12.714 3.857 1.00 1.00 C ATOM 70 NH1 ARG A 5 -1.530 12.239 5.058 1.00 1.00 N ATOM 71 NH2 ARG A 5 -1.184 13.782 3.418 1.00 1.00 N ATOM 0 H ARG A 5 -6.264 9.840 0.588 1.00 1.00 H new ATOM 0 HA ARG A 5 -4.849 7.856 1.939 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -6.536 10.132 3.065 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -5.220 9.315 3.885 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -4.131 10.269 1.421 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -5.102 11.579 2.062 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -3.968 11.052 4.362 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -2.821 10.098 3.442 1.00 1.00 H new ATOM 0 HE ARG A 5 -2.937 12.616 2.182 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -2.021 11.419 5.414 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -0.816 12.693 5.628 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -1.404 14.164 2.498 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -0.473 14.227 3.998 1.00 1.00 H new ATOM 85 N ASP A 6 -8.097 7.973 2.565 1.00 1.00 N ATOM 86 CA ASP A 6 -9.234 7.325 3.191 1.00 1.00 C ATOM 87 C ASP A 6 -9.392 5.921 2.639 1.00 1.00 C ATOM 88 O ASP A 6 -9.627 4.985 3.398 1.00 1.00 O ATOM 89 CB ASP A 6 -10.509 8.140 2.943 1.00 1.00 C ATOM 90 CG ASP A 6 -10.535 9.577 3.470 1.00 1.00 C ATOM 91 OD1 ASP A 6 -9.548 10.077 4.068 1.00 1.00 O ATOM 92 OD2 ASP A 6 -11.565 10.246 3.223 1.00 1.00 O ATOM 0 H ASP A 6 -8.351 8.820 2.057 1.00 1.00 H new ATOM 0 HA ASP A 6 -9.063 7.266 4.266 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -10.686 8.171 1.868 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -11.346 7.602 3.388 1.00 1.00 H new ATOM 97 N ALA A 7 -9.231 5.760 1.324 1.00 1.00 N ATOM 98 CA ALA A 7 -9.352 4.468 0.691 1.00 1.00 C ATOM 99 C ALA A 7 -8.197 3.562 1.090 1.00 1.00 C ATOM 100 O ALA A 7 -8.458 2.396 1.387 1.00 1.00 O ATOM 101 CB ALA A 7 -9.451 4.614 -0.831 1.00 1.00 C ATOM 0 H ALA A 7 -9.015 6.522 0.682 1.00 1.00 H new ATOM 0 HA ALA A 7 -10.274 4.001 1.038 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -9.541 3.628 -1.286 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -10.327 5.212 -1.083 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -8.555 5.107 -1.208 1.00 1.00 H new ATOM 107 N ILE A 8 -6.952 4.065 1.087 1.00 1.00 N ATOM 108 CA ILE A 8 -5.790 3.290 1.532 1.00 1.00 C ATOM 109 C ILE A 8 -6.073 2.836 2.964 1.00 1.00 C ATOM 110 O ILE A 8 -6.032 1.643 3.237 1.00 1.00 O ATOM 111 CB ILE A 8 -4.466 4.090 1.399 1.00 1.00 C ATOM 112 CG1 ILE A 8 -4.181 4.484 -0.070 1.00 1.00 C ATOM 113 CG2 ILE A 8 -3.262 3.315 1.953 1.00 1.00 C ATOM 114 CD1 ILE A 8 -3.290 5.725 -0.180 1.00 1.00 C ATOM 0 H ILE A 8 -6.727 5.011 0.779 1.00 1.00 H new ATOM 0 HA ILE A 8 -5.644 2.419 0.893 1.00 1.00 H new ATOM 0 HB ILE A 8 -4.603 4.994 1.993 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -3.701 3.649 -0.581 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -5.125 4.671 -0.583 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -2.359 3.915 1.838 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.423 3.100 3.009 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.148 2.379 1.405 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -3.120 5.959 -1.231 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -3.780 6.569 0.305 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.334 5.531 0.307 1.00 1.00 H new ATOM 126 N LEU A 9 -6.412 3.760 3.858 1.00 1.00 N ATOM 127 CA LEU A 9 -6.654 3.481 5.263 1.00 1.00 C ATOM 128 C LEU A 9 -7.725 2.410 5.408 1.00 1.00 C ATOM 129 O LEU A 9 -7.482 1.405 6.071 1.00 1.00 O ATOM 130 CB LEU A 9 -7.024 4.796 5.975 1.00 1.00 C ATOM 131 CG LEU A 9 -7.106 4.766 7.513 1.00 1.00 C ATOM 132 CD1 LEU A 9 -8.450 4.253 8.026 1.00 1.00 C ATOM 133 CD2 LEU A 9 -5.966 3.981 8.166 1.00 1.00 C ATOM 0 H LEU A 9 -6.528 4.744 3.617 1.00 1.00 H new ATOM 0 HA LEU A 9 -5.755 3.086 5.737 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -6.292 5.552 5.691 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -7.989 5.127 5.592 1.00 1.00 H new ATOM 0 HG LEU A 9 -7.003 5.810 7.810 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -8.448 4.255 9.116 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -9.249 4.900 7.664 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -8.614 3.238 7.665 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -6.085 4.000 9.249 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -5.988 2.949 7.817 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -5.012 4.434 7.898 1.00 1.00 H new ATOM 145 N ASP A 10 -8.882 2.587 4.767 1.00 1.00 N ATOM 146 CA ASP A 10 -9.988 1.632 4.842 1.00 1.00 C ATOM 147 C ASP A 10 -9.575 0.267 4.296 1.00 1.00 C ATOM 148 O ASP A 10 -9.954 -0.766 4.857 1.00 1.00 O ATOM 149 CB ASP A 10 -11.225 2.143 4.080 1.00 1.00 C ATOM 150 CG ASP A 10 -12.072 3.146 4.863 1.00 1.00 C ATOM 151 OD1 ASP A 10 -12.152 3.038 6.109 1.00 1.00 O ATOM 152 OD2 ASP A 10 -12.708 4.028 4.232 1.00 1.00 O ATOM 0 H ASP A 10 -9.078 3.398 4.180 1.00 1.00 H new ATOM 0 HA ASP A 10 -10.248 1.526 5.895 1.00 1.00 H new ATOM 0 HB2 ASP A 10 -10.899 2.608 3.150 1.00 1.00 H new ATOM 0 HB3 ASP A 10 -11.849 1.291 3.809 1.00 1.00 H new ATOM 157 N ALA A 11 -8.804 0.233 3.206 1.00 1.00 N ATOM 158 CA ALA A 11 -8.306 -0.999 2.619 1.00 1.00 C ATOM 159 C ALA A 11 -7.362 -1.713 3.583 1.00 1.00 C ATOM 160 O ALA A 11 -7.495 -2.921 3.769 1.00 1.00 O ATOM 161 CB ALA A 11 -7.607 -0.715 1.287 1.00 1.00 C ATOM 0 H ALA A 11 -8.509 1.072 2.706 1.00 1.00 H new ATOM 0 HA ALA A 11 -9.155 -1.655 2.427 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -7.240 -1.649 0.862 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -8.313 -0.255 0.596 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -6.769 -0.038 1.453 1.00 1.00 H new ATOM 167 N LEU A 12 -6.417 -0.991 4.191 1.00 1.00 N ATOM 168 CA LEU A 12 -5.480 -1.582 5.132 1.00 1.00 C ATOM 169 C LEU A 12 -6.191 -2.026 6.407 1.00 1.00 C ATOM 170 O LEU A 12 -5.828 -3.043 6.980 1.00 1.00 O ATOM 171 CB LEU A 12 -4.263 -0.702 5.373 1.00 1.00 C ATOM 172 CG LEU A 12 -3.206 -0.820 4.259 1.00 1.00 C ATOM 173 CD1 LEU A 12 -3.057 -2.134 3.486 1.00 1.00 C ATOM 174 CD2 LEU A 12 -3.426 0.224 3.187 1.00 1.00 C ATOM 0 H LEU A 12 -6.286 0.010 4.043 1.00 1.00 H new ATOM 0 HA LEU A 12 -5.075 -2.487 4.680 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -4.583 0.337 5.454 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -3.810 -0.972 6.327 1.00 1.00 H new ATOM 0 HG LEU A 12 -2.304 -0.708 4.861 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -2.266 -2.031 2.743 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -2.803 -2.937 4.178 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -3.996 -2.370 2.986 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -2.665 0.117 2.414 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -4.414 0.090 2.746 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -3.358 1.218 3.628 1.00 1.00 H new ATOM 186 N GLU A 13 -7.217 -1.303 6.842 1.00 1.00 N ATOM 187 CA GLU A 13 -8.065 -1.669 7.969 1.00 1.00 C ATOM 188 C GLU A 13 -8.757 -3.000 7.663 1.00 1.00 C ATOM 189 O GLU A 13 -8.920 -3.835 8.557 1.00 1.00 O ATOM 190 CB GLU A 13 -9.065 -0.549 8.282 1.00 1.00 C ATOM 191 CG GLU A 13 -8.432 0.569 9.122 1.00 1.00 C ATOM 192 CD GLU A 13 -8.296 0.150 10.584 1.00 1.00 C ATOM 193 OE1 GLU A 13 -9.346 -0.123 11.213 1.00 1.00 O ATOM 194 OE2 GLU A 13 -7.173 0.147 11.142 1.00 1.00 O ATOM 0 H GLU A 13 -7.489 -0.421 6.407 1.00 1.00 H new ATOM 0 HA GLU A 13 -7.457 -1.799 8.864 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -9.445 -0.131 7.350 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -9.919 -0.965 8.816 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -7.450 0.819 8.719 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -9.043 1.469 9.054 1.00 1.00 H new ATOM 201 N ASN A 14 -9.258 -3.174 6.434 1.00 1.00 N ATOM 202 CA ASN A 14 -9.849 -4.418 5.961 1.00 1.00 C ATOM 203 C ASN A 14 -8.826 -5.549 5.792 1.00 1.00 C ATOM 204 O ASN A 14 -9.249 -6.697 5.619 1.00 1.00 O ATOM 205 CB ASN A 14 -10.540 -4.187 4.613 1.00 1.00 C ATOM 206 CG ASN A 14 -11.921 -3.576 4.739 1.00 1.00 C ATOM 207 OD1 ASN A 14 -12.837 -4.197 5.265 1.00 1.00 O ATOM 208 ND2 ASN A 14 -12.112 -2.381 4.216 1.00 1.00 N ATOM 0 H ASN A 14 -9.261 -2.435 5.731 1.00 1.00 H new ATOM 0 HA ASN A 14 -10.563 -4.726 6.725 1.00 1.00 H new ATOM 0 HB2 ASN A 14 -9.917 -3.534 4.001 1.00 1.00 H new ATOM 0 HB3 ASN A 14 -10.619 -5.138 4.086 1.00 1.00 H new ATOM 0 HD21 ASN A 14 -13.038 -1.954 4.244 1.00 1.00 H new ATOM 0 HD22 ASN A 14 -11.334 -1.883 3.783 1.00 1.00 H new ATOM 215 N LEU A 15 -7.514 -5.290 5.803 1.00 1.00 N ATOM 216 CA LEU A 15 -6.508 -6.339 5.752 1.00 1.00 C ATOM 217 C LEU A 15 -6.295 -6.851 7.168 1.00 1.00 C ATOM 218 O LEU A 15 -6.426 -6.110 8.140 1.00 1.00 O ATOM 219 CB LEU A 15 -5.170 -5.802 5.218 1.00 1.00 C ATOM 220 CG LEU A 15 -5.060 -5.422 3.733 1.00 1.00 C ATOM 221 CD1 LEU A 15 -3.609 -5.547 3.242 1.00 1.00 C ATOM 222 CD2 LEU A 15 -5.940 -6.281 2.835 1.00 1.00 C ATOM 0 H LEU A 15 -7.127 -4.347 5.848 1.00 1.00 H new ATOM 0 HA LEU A 15 -6.851 -7.130 5.085 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -4.912 -4.920 5.804 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -4.408 -6.554 5.423 1.00 1.00 H new ATOM 0 HG LEU A 15 -5.401 -4.389 3.667 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -3.557 -5.273 2.188 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -2.970 -4.882 3.822 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -3.270 -6.575 3.367 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -5.820 -5.966 1.799 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -5.648 -7.327 2.932 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -6.983 -6.166 3.130 1.00 1.00 H new ATOM 234 N THR A 16 -5.910 -8.111 7.301 1.00 1.00 N ATOM 235 CA THR A 16 -5.641 -8.732 8.584 1.00 1.00 C ATOM 236 C THR A 16 -4.162 -8.614 8.901 1.00 1.00 C ATOM 237 O THR A 16 -3.391 -8.082 8.107 1.00 1.00 O ATOM 238 CB THR A 16 -6.074 -10.208 8.521 1.00 1.00 C ATOM 239 OG1 THR A 16 -5.305 -10.897 7.550 1.00 1.00 O ATOM 240 CG2 THR A 16 -7.550 -10.344 8.154 1.00 1.00 C ATOM 0 H THR A 16 -5.774 -8.738 6.508 1.00 1.00 H new ATOM 0 HA THR A 16 -6.201 -8.232 9.374 1.00 1.00 H new ATOM 0 HB THR A 16 -5.914 -10.637 9.510 1.00 1.00 H new ATOM 0 HG1 THR A 16 -5.585 -11.836 7.517 1.00 1.00 H new ATOM 0 HG21 THR A 16 -7.820 -11.399 8.119 1.00 1.00 H new ATOM 0 HG22 THR A 16 -8.159 -9.838 8.903 1.00 1.00 H new ATOM 0 HG23 THR A 16 -7.725 -9.892 7.178 1.00 1.00 H new ATOM 248 N ALA A 17 -3.743 -9.128 10.052 1.00 1.00 N ATOM 249 CA ALA A 17 -2.339 -9.148 10.416 1.00 1.00 C ATOM 250 C ALA A 17 -1.474 -9.811 9.339 1.00 1.00 C ATOM 251 O ALA A 17 -0.407 -9.281 9.020 1.00 1.00 O ATOM 252 CB ALA A 17 -2.177 -9.871 11.748 1.00 1.00 C ATOM 0 H ALA A 17 -4.363 -9.538 10.750 1.00 1.00 H new ATOM 0 HA ALA A 17 -1.996 -8.117 10.508 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -1.123 -9.889 12.026 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -2.747 -9.349 12.517 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.545 -10.893 11.655 1.00 1.00 H new ATOM 258 N GLU A 18 -1.887 -10.963 8.802 1.00 1.00 N ATOM 259 CA GLU A 18 -1.069 -11.685 7.830 1.00 1.00 C ATOM 260 C GLU A 18 -1.143 -10.984 6.469 1.00 1.00 C ATOM 261 O GLU A 18 -0.151 -10.908 5.748 1.00 1.00 O ATOM 262 CB GLU A 18 -1.552 -13.132 7.691 1.00 1.00 C ATOM 263 CG GLU A 18 -0.455 -14.046 7.127 1.00 1.00 C ATOM 264 CD GLU A 18 0.494 -14.458 8.258 1.00 1.00 C ATOM 265 OE1 GLU A 18 0.101 -15.339 9.054 1.00 1.00 O ATOM 266 OE2 GLU A 18 1.586 -13.859 8.419 1.00 1.00 O ATOM 0 H GLU A 18 -2.776 -11.411 9.023 1.00 1.00 H new ATOM 0 HA GLU A 18 -0.037 -11.693 8.180 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -1.871 -13.504 8.665 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -2.423 -13.163 7.037 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -0.901 -14.930 6.671 1.00 1.00 H new ATOM 0 HG3 GLU A 18 0.098 -13.528 6.343 1.00 1.00 H new ATOM 273 N GLU A 19 -2.306 -10.438 6.111 1.00 1.00 N ATOM 274 CA GLU A 19 -2.459 -9.665 4.886 1.00 1.00 C ATOM 275 C GLU A 19 -1.557 -8.432 4.970 1.00 1.00 C ATOM 276 O GLU A 19 -0.790 -8.168 4.052 1.00 1.00 O ATOM 277 CB GLU A 19 -3.914 -9.235 4.718 1.00 1.00 C ATOM 278 CG GLU A 19 -4.913 -10.356 4.429 1.00 1.00 C ATOM 279 CD GLU A 19 -5.010 -10.640 2.934 1.00 1.00 C ATOM 280 OE1 GLU A 19 -4.080 -11.279 2.393 1.00 1.00 O ATOM 281 OE2 GLU A 19 -6.040 -10.257 2.332 1.00 1.00 O ATOM 0 H GLU A 19 -3.161 -10.520 6.661 1.00 1.00 H new ATOM 0 HA GLU A 19 -2.176 -10.274 4.027 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.228 -8.720 5.626 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -3.967 -8.510 3.906 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -4.609 -11.261 4.954 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -5.895 -10.079 4.813 1.00 1.00 H new ATOM 288 N LEU A 20 -1.591 -7.691 6.079 1.00 1.00 N ATOM 289 CA LEU A 20 -0.780 -6.498 6.275 1.00 1.00 C ATOM 290 C LEU A 20 0.690 -6.863 6.205 1.00 1.00 C ATOM 291 O LEU A 20 1.451 -6.177 5.537 1.00 1.00 O ATOM 292 CB LEU A 20 -1.122 -5.800 7.611 1.00 1.00 C ATOM 293 CG LEU A 20 -2.443 -5.008 7.565 1.00 1.00 C ATOM 294 CD1 LEU A 20 -2.874 -4.493 8.931 1.00 1.00 C ATOM 295 CD2 LEU A 20 -2.283 -3.763 6.683 1.00 1.00 C ATOM 0 H LEU A 20 -2.192 -7.909 6.874 1.00 1.00 H new ATOM 0 HA LEU A 20 -1.003 -5.788 5.478 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -1.184 -6.550 8.399 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -0.310 -5.123 7.878 1.00 1.00 H new ATOM 0 HG LEU A 20 -3.187 -5.705 7.179 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -3.810 -3.944 8.834 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -3.016 -5.335 9.609 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -2.105 -3.831 9.330 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -3.223 -3.211 6.658 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -1.499 -3.126 7.092 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -2.013 -4.066 5.671 1.00 1.00 H new ATOM 307 N LYS A 21 1.100 -7.957 6.837 1.00 1.00 N ATOM 308 CA LYS A 21 2.460 -8.481 6.768 1.00 1.00 C ATOM 309 C LYS A 21 2.868 -8.708 5.316 1.00 1.00 C ATOM 310 O LYS A 21 3.921 -8.234 4.881 1.00 1.00 O ATOM 311 CB LYS A 21 2.438 -9.780 7.567 1.00 1.00 C ATOM 312 CG LYS A 21 3.774 -10.508 7.729 1.00 1.00 C ATOM 313 CD LYS A 21 3.752 -11.247 9.076 1.00 1.00 C ATOM 314 CE LYS A 21 4.803 -12.348 9.182 1.00 1.00 C ATOM 315 NZ LYS A 21 4.367 -13.601 8.533 1.00 1.00 N ATOM 0 H LYS A 21 0.483 -8.517 7.425 1.00 1.00 H new ATOM 0 HA LYS A 21 3.194 -7.788 7.180 1.00 1.00 H new ATOM 0 HB2 LYS A 21 2.046 -9.562 8.561 1.00 1.00 H new ATOM 0 HB3 LYS A 21 1.734 -10.462 7.089 1.00 1.00 H new ATOM 0 HG2 LYS A 21 3.926 -11.212 6.911 1.00 1.00 H new ATOM 0 HG3 LYS A 21 4.601 -9.799 7.697 1.00 1.00 H new ATOM 0 HD2 LYS A 21 3.909 -10.527 9.879 1.00 1.00 H new ATOM 0 HD3 LYS A 21 2.764 -11.683 9.227 1.00 1.00 H new ATOM 0 HE2 LYS A 21 5.731 -12.007 8.723 1.00 1.00 H new ATOM 0 HE3 LYS A 21 5.019 -12.541 10.233 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 4.877 -14.405 8.952 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 3.345 -13.728 8.675 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 4.572 -13.554 7.515 1.00 1.00 H new ATOM 329 N LYS A 22 2.040 -9.433 4.564 1.00 1.00 N ATOM 330 CA LYS A 22 2.275 -9.735 3.160 1.00 1.00 C ATOM 331 C LYS A 22 2.339 -8.435 2.352 1.00 1.00 C ATOM 332 O LYS A 22 3.270 -8.294 1.563 1.00 1.00 O ATOM 333 CB LYS A 22 1.216 -10.747 2.677 1.00 1.00 C ATOM 334 CG LYS A 22 1.518 -12.169 3.191 1.00 1.00 C ATOM 335 CD LYS A 22 0.300 -13.110 3.229 1.00 1.00 C ATOM 336 CE LYS A 22 -0.358 -13.317 1.863 1.00 1.00 C ATOM 337 NZ LYS A 22 -1.414 -14.350 1.919 1.00 1.00 N ATOM 0 H LYS A 22 1.173 -9.832 4.924 1.00 1.00 H new ATOM 0 HA LYS A 22 3.242 -10.215 3.011 1.00 1.00 H new ATOM 0 HB2 LYS A 22 0.230 -10.436 3.022 1.00 1.00 H new ATOM 0 HB3 LYS A 22 1.186 -10.752 1.587 1.00 1.00 H new ATOM 0 HG2 LYS A 22 2.285 -12.615 2.558 1.00 1.00 H new ATOM 0 HG3 LYS A 22 1.936 -12.097 4.195 1.00 1.00 H new ATOM 0 HD2 LYS A 22 0.611 -14.077 3.623 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -0.439 -12.706 3.921 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -0.787 -12.376 1.519 1.00 1.00 H new ATOM 0 HE3 LYS A 22 0.399 -13.608 1.134 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -1.838 -14.464 0.976 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -1.000 -15.254 2.224 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -2.148 -14.060 2.596 1.00 1.00 H new ATOM 351 N PHE A 23 1.450 -7.461 2.572 1.00 1.00 N ATOM 352 CA PHE A 23 1.478 -6.163 1.897 1.00 1.00 C ATOM 353 C PHE A 23 2.801 -5.474 2.177 1.00 1.00 C ATOM 354 O PHE A 23 3.522 -5.089 1.263 1.00 1.00 O ATOM 355 CB PHE A 23 0.315 -5.279 2.376 1.00 1.00 C ATOM 356 CG PHE A 23 0.244 -3.906 1.722 1.00 1.00 C ATOM 357 CD1 PHE A 23 -0.067 -3.788 0.353 1.00 1.00 C ATOM 358 CD2 PHE A 23 0.451 -2.739 2.485 1.00 1.00 C ATOM 359 CE1 PHE A 23 -0.218 -2.520 -0.240 1.00 1.00 C ATOM 360 CE2 PHE A 23 0.275 -1.476 1.892 1.00 1.00 C ATOM 361 CZ PHE A 23 -0.052 -1.362 0.533 1.00 1.00 C ATOM 0 H PHE A 23 0.680 -7.555 3.234 1.00 1.00 H new ATOM 0 HA PHE A 23 1.370 -6.322 0.824 1.00 1.00 H new ATOM 0 HB2 PHE A 23 -0.622 -5.804 2.189 1.00 1.00 H new ATOM 0 HB3 PHE A 23 0.397 -5.148 3.455 1.00 1.00 H new ATOM 0 HD1 PHE A 23 -0.191 -4.678 -0.247 1.00 1.00 H new ATOM 0 HD2 PHE A 23 0.744 -2.815 3.522 1.00 1.00 H new ATOM 0 HE1 PHE A 23 -0.461 -2.439 -1.289 1.00 1.00 H new ATOM 0 HE2 PHE A 23 0.393 -0.584 2.490 1.00 1.00 H new ATOM 0 HZ PHE A 23 -0.175 -0.387 0.084 1.00 1.00 H new ATOM 371 N LYS A 24 3.141 -5.347 3.456 1.00 1.00 N ATOM 372 CA LYS A 24 4.328 -4.677 3.951 1.00 1.00 C ATOM 373 C LYS A 24 5.604 -5.323 3.393 1.00 1.00 C ATOM 374 O LYS A 24 6.605 -4.633 3.224 1.00 1.00 O ATOM 375 CB LYS A 24 4.210 -4.592 5.481 1.00 1.00 C ATOM 376 CG LYS A 24 3.074 -3.620 5.907 1.00 1.00 C ATOM 377 CD LYS A 24 2.674 -3.764 7.384 1.00 1.00 C ATOM 378 CE LYS A 24 1.570 -2.779 7.816 1.00 1.00 C ATOM 379 NZ LYS A 24 2.027 -1.372 7.848 1.00 1.00 N ATOM 0 H LYS A 24 2.566 -5.728 4.207 1.00 1.00 H new ATOM 0 HA LYS A 24 4.408 -3.651 3.591 1.00 1.00 H new ATOM 0 HB2 LYS A 24 4.015 -5.584 5.888 1.00 1.00 H new ATOM 0 HB3 LYS A 24 5.157 -4.255 5.903 1.00 1.00 H new ATOM 0 HG2 LYS A 24 3.394 -2.595 5.723 1.00 1.00 H new ATOM 0 HG3 LYS A 24 2.199 -3.798 5.282 1.00 1.00 H new ATOM 0 HD2 LYS A 24 2.332 -4.783 7.563 1.00 1.00 H new ATOM 0 HD3 LYS A 24 3.554 -3.609 8.008 1.00 1.00 H new ATOM 0 HE2 LYS A 24 0.726 -2.865 7.131 1.00 1.00 H new ATOM 0 HE3 LYS A 24 1.208 -3.060 8.805 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 1.418 -0.824 8.488 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 3.009 -1.334 8.187 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 1.976 -0.968 6.891 1.00 1.00 H new ATOM 393 N LEU A 25 5.590 -6.619 3.070 1.00 1.00 N ATOM 394 CA LEU A 25 6.705 -7.301 2.421 1.00 1.00 C ATOM 395 C LEU A 25 6.678 -6.998 0.924 1.00 1.00 C ATOM 396 O LEU A 25 7.727 -6.641 0.391 1.00 1.00 O ATOM 397 CB LEU A 25 6.608 -8.825 2.635 1.00 1.00 C ATOM 398 CG LEU A 25 7.116 -9.305 4.007 1.00 1.00 C ATOM 399 CD1 LEU A 25 6.461 -10.642 4.378 1.00 1.00 C ATOM 400 CD2 LEU A 25 8.638 -9.496 3.986 1.00 1.00 C ATOM 0 H LEU A 25 4.793 -7.228 3.255 1.00 1.00 H new ATOM 0 HA LEU A 25 7.638 -6.945 2.859 1.00 1.00 H new ATOM 0 HB2 LEU A 25 5.568 -9.131 2.518 1.00 1.00 H new ATOM 0 HB3 LEU A 25 7.178 -9.327 1.853 1.00 1.00 H new ATOM 0 HG LEU A 25 6.855 -8.545 4.743 1.00 1.00 H new ATOM 0 HD11 LEU A 25 6.829 -10.970 5.350 1.00 1.00 H new ATOM 0 HD12 LEU A 25 5.379 -10.517 4.423 1.00 1.00 H new ATOM 0 HD13 LEU A 25 6.709 -11.390 3.625 1.00 1.00 H new ATOM 0 HD21 LEU A 25 8.976 -9.835 4.965 1.00 1.00 H new ATOM 0 HD22 LEU A 25 8.901 -10.240 3.234 1.00 1.00 H new ATOM 0 HD23 LEU A 25 9.120 -8.549 3.744 1.00 1.00 H new ATOM 412 N LYS A 26 5.535 -7.139 0.233 1.00 1.00 N ATOM 413 CA LYS A 26 5.420 -6.807 -1.192 1.00 1.00 C ATOM 414 C LYS A 26 5.799 -5.359 -1.495 1.00 1.00 C ATOM 415 O LYS A 26 6.454 -5.119 -2.511 1.00 1.00 O ATOM 416 CB LYS A 26 4.052 -7.172 -1.797 1.00 1.00 C ATOM 417 CG LYS A 26 3.895 -8.645 -2.207 1.00 1.00 C ATOM 418 CD LYS A 26 3.776 -9.719 -1.119 1.00 1.00 C ATOM 419 CE LYS A 26 3.853 -11.134 -1.717 1.00 1.00 C ATOM 420 NZ LYS A 26 2.931 -11.331 -2.853 1.00 1.00 N ATOM 0 H LYS A 26 4.669 -7.485 0.647 1.00 1.00 H new ATOM 0 HA LYS A 26 6.155 -7.441 -1.688 1.00 1.00 H new ATOM 0 HB2 LYS A 26 3.275 -6.927 -1.073 1.00 1.00 H new ATOM 0 HB3 LYS A 26 3.880 -6.546 -2.673 1.00 1.00 H new ATOM 0 HG2 LYS A 26 3.008 -8.717 -2.836 1.00 1.00 H new ATOM 0 HG3 LYS A 26 4.750 -8.904 -2.831 1.00 1.00 H new ATOM 0 HD2 LYS A 26 4.573 -9.588 -0.387 1.00 1.00 H new ATOM 0 HD3 LYS A 26 2.832 -9.598 -0.587 1.00 1.00 H new ATOM 0 HE2 LYS A 26 4.874 -11.328 -2.047 1.00 1.00 H new ATOM 0 HE3 LYS A 26 3.625 -11.864 -0.940 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 2.080 -11.833 -2.527 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 2.659 -10.406 -3.244 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 3.403 -11.893 -3.590 1.00 1.00 H new ATOM 434 N LEU A 27 5.477 -4.417 -0.604 1.00 1.00 N ATOM 435 CA LEU A 27 5.866 -3.011 -0.704 1.00 1.00 C ATOM 436 C LEU A 27 7.373 -2.849 -0.876 1.00 1.00 C ATOM 437 O LEU A 27 7.808 -1.852 -1.461 1.00 1.00 O ATOM 438 CB LEU A 27 5.447 -2.236 0.562 1.00 1.00 C ATOM 439 CG LEU A 27 3.983 -1.775 0.637 1.00 1.00 C ATOM 440 CD1 LEU A 27 3.657 -1.151 1.993 1.00 1.00 C ATOM 441 CD2 LEU A 27 3.724 -0.669 -0.380 1.00 1.00 C ATOM 0 H LEU A 27 4.924 -4.619 0.229 1.00 1.00 H new ATOM 0 HA LEU A 27 5.357 -2.612 -1.582 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.650 -2.865 1.429 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.085 -1.357 0.649 1.00 1.00 H new ATOM 0 HG LEU A 27 3.377 -2.662 0.454 1.00 1.00 H new ATOM 0 HD11 LEU A 27 2.613 -0.837 2.008 1.00 1.00 H new ATOM 0 HD12 LEU A 27 3.827 -1.884 2.781 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.298 -0.285 2.159 1.00 1.00 H new ATOM 0 HD21 LEU A 27 2.683 -0.352 -0.316 1.00 1.00 H new ATOM 0 HD22 LEU A 27 4.375 0.179 -0.169 1.00 1.00 H new ATOM 0 HD23 LEU A 27 3.928 -1.042 -1.383 1.00 1.00 H new ATOM 453 N LEU A 28 8.161 -3.811 -0.393 1.00 1.00 N ATOM 454 CA LEU A 28 9.609 -3.809 -0.473 1.00 1.00 C ATOM 455 C LEU A 28 10.071 -5.141 -1.083 1.00 1.00 C ATOM 456 O LEU A 28 10.998 -5.783 -0.588 1.00 1.00 O ATOM 457 CB LEU A 28 10.176 -3.531 0.931 1.00 1.00 C ATOM 458 CG LEU A 28 11.633 -2.983 0.948 1.00 1.00 C ATOM 459 CD1 LEU A 28 12.505 -3.662 2.006 1.00 1.00 C ATOM 460 CD2 LEU A 28 12.426 -2.919 -0.372 1.00 1.00 C ATOM 0 H LEU A 28 7.790 -4.636 0.078 1.00 1.00 H new ATOM 0 HA LEU A 28 9.986 -3.022 -1.126 1.00 1.00 H new ATOM 0 HB2 LEU A 28 9.527 -2.815 1.435 1.00 1.00 H new ATOM 0 HB3 LEU A 28 10.143 -4.454 1.511 1.00 1.00 H new ATOM 0 HG LEU A 28 11.428 -1.940 1.191 1.00 1.00 H new ATOM 0 HD11 LEU A 28 13.510 -3.242 1.974 1.00 1.00 H new ATOM 0 HD12 LEU A 28 12.074 -3.497 2.993 1.00 1.00 H new ATOM 0 HD13 LEU A 28 12.553 -4.732 1.806 1.00 1.00 H new ATOM 0 HD21 LEU A 28 13.419 -2.514 -0.180 1.00 1.00 H new ATOM 0 HD22 LEU A 28 12.518 -3.921 -0.790 1.00 1.00 H new ATOM 0 HD23 LEU A 28 11.902 -2.277 -1.080 1.00 1.00 H new ATOM 472 N SER A 29 9.364 -5.596 -2.116 1.00 1.00 N ATOM 473 CA SER A 29 9.688 -6.775 -2.902 1.00 1.00 C ATOM 474 C SER A 29 9.925 -6.257 -4.313 1.00 1.00 C ATOM 475 O SER A 29 11.080 -6.099 -4.715 1.00 1.00 O ATOM 476 CB SER A 29 8.566 -7.819 -2.783 1.00 1.00 C ATOM 477 OG SER A 29 8.887 -9.019 -3.454 1.00 1.00 O ATOM 0 H SER A 29 8.515 -5.131 -2.438 1.00 1.00 H new ATOM 0 HA SER A 29 10.577 -7.302 -2.557 1.00 1.00 H new ATOM 0 HB2 SER A 29 8.378 -8.031 -1.730 1.00 1.00 H new ATOM 0 HB3 SER A 29 7.644 -7.409 -3.195 1.00 1.00 H new ATOM 0 HG SER A 29 8.150 -9.657 -3.354 1.00 1.00 H new ATOM 483 N VAL A 30 8.853 -5.893 -5.024 1.00 1.00 N ATOM 484 CA VAL A 30 8.942 -5.293 -6.343 1.00 1.00 C ATOM 485 C VAL A 30 9.754 -3.986 -6.242 1.00 1.00 C ATOM 486 O VAL A 30 9.418 -3.124 -5.416 1.00 1.00 O ATOM 487 CB VAL A 30 7.529 -5.135 -6.943 1.00 1.00 C ATOM 488 CG1 VAL A 30 6.582 -4.241 -6.127 1.00 1.00 C ATOM 489 CG2 VAL A 30 7.604 -4.621 -8.383 1.00 1.00 C ATOM 0 H VAL A 30 7.896 -6.011 -4.691 1.00 1.00 H new ATOM 0 HA VAL A 30 9.480 -5.934 -7.042 1.00 1.00 H new ATOM 0 HB VAL A 30 7.101 -6.137 -6.917 1.00 1.00 H new ATOM 0 HG11 VAL A 30 5.613 -4.188 -6.624 1.00 1.00 H new ATOM 0 HG12 VAL A 30 6.455 -4.661 -5.129 1.00 1.00 H new ATOM 0 HG13 VAL A 30 7.005 -3.239 -6.049 1.00 1.00 H new ATOM 0 HG21 VAL A 30 6.596 -4.517 -8.785 1.00 1.00 H new ATOM 0 HG22 VAL A 30 8.102 -3.652 -8.398 1.00 1.00 H new ATOM 0 HG23 VAL A 30 8.167 -5.328 -8.993 1.00 1.00 H new ATOM 499 N PRO A 31 10.841 -3.827 -7.016 1.00 1.00 N ATOM 500 CA PRO A 31 11.625 -2.607 -7.004 1.00 1.00 C ATOM 501 C PRO A 31 10.821 -1.496 -7.684 1.00 1.00 C ATOM 502 O PRO A 31 10.382 -1.622 -8.831 1.00 1.00 O ATOM 503 CB PRO A 31 12.913 -2.934 -7.757 1.00 1.00 C ATOM 504 CG PRO A 31 12.494 -4.037 -8.728 1.00 1.00 C ATOM 505 CD PRO A 31 11.402 -4.782 -7.964 1.00 1.00 C ATOM 0 HA PRO A 31 11.862 -2.257 -5.999 1.00 1.00 H new ATOM 0 HB2 PRO A 31 13.301 -2.062 -8.284 1.00 1.00 H new ATOM 0 HB3 PRO A 31 13.698 -3.273 -7.080 1.00 1.00 H new ATOM 0 HG2 PRO A 31 12.120 -3.626 -9.666 1.00 1.00 H new ATOM 0 HG3 PRO A 31 13.329 -4.692 -8.977 1.00 1.00 H new ATOM 0 HD2 PRO A 31 10.634 -5.151 -8.644 1.00 1.00 H new ATOM 0 HD3 PRO A 31 11.812 -5.649 -7.446 1.00 1.00 H new ATOM 513 N LEU A 32 10.643 -0.389 -6.974 1.00 1.00 N ATOM 514 CA LEU A 32 9.893 0.766 -7.443 1.00 1.00 C ATOM 515 C LEU A 32 10.823 1.629 -8.302 1.00 1.00 C ATOM 516 O LEU A 32 12.007 1.323 -8.460 1.00 1.00 O ATOM 517 CB LEU A 32 9.356 1.518 -6.215 1.00 1.00 C ATOM 518 CG LEU A 32 8.202 2.487 -6.545 1.00 1.00 C ATOM 519 CD1 LEU A 32 6.926 2.076 -5.814 1.00 1.00 C ATOM 520 CD2 LEU A 32 8.568 3.914 -6.147 1.00 1.00 C ATOM 0 H LEU A 32 11.025 -0.268 -6.036 1.00 1.00 H new ATOM 0 HA LEU A 32 9.041 0.481 -8.061 1.00 1.00 H new ATOM 0 HB2 LEU A 32 9.012 0.794 -5.477 1.00 1.00 H new ATOM 0 HB3 LEU A 32 10.171 2.078 -5.757 1.00 1.00 H new ATOM 0 HG LEU A 32 8.030 2.444 -7.621 1.00 1.00 H new ATOM 0 HD11 LEU A 32 6.125 2.773 -6.061 1.00 1.00 H new ATOM 0 HD12 LEU A 32 6.639 1.070 -6.120 1.00 1.00 H new ATOM 0 HD13 LEU A 32 7.102 2.092 -4.738 1.00 1.00 H new ATOM 0 HD21 LEU A 32 7.741 4.582 -6.388 1.00 1.00 H new ATOM 0 HD22 LEU A 32 8.766 3.953 -5.076 1.00 1.00 H new ATOM 0 HD23 LEU A 32 9.458 4.227 -6.693 1.00 1.00 H new ATOM 532 N ARG A 33 10.304 2.723 -8.853 1.00 1.00 N ATOM 533 CA ARG A 33 11.053 3.568 -9.771 1.00 1.00 C ATOM 534 C ARG A 33 12.100 4.372 -9.008 1.00 1.00 C ATOM 535 O ARG A 33 12.025 4.500 -7.785 1.00 1.00 O ATOM 536 CB ARG A 33 10.083 4.510 -10.498 1.00 1.00 C ATOM 537 CG ARG A 33 9.048 3.741 -11.333 1.00 1.00 C ATOM 538 CD ARG A 33 8.253 4.701 -12.220 1.00 1.00 C ATOM 539 NE ARG A 33 7.361 3.975 -13.131 1.00 1.00 N ATOM 540 CZ ARG A 33 7.649 3.558 -14.368 1.00 1.00 C ATOM 541 NH1 ARG A 33 8.857 3.724 -14.888 1.00 1.00 N ATOM 542 NH2 ARG A 33 6.721 2.962 -15.099 1.00 1.00 N ATOM 0 H ARG A 33 9.353 3.046 -8.674 1.00 1.00 H new ATOM 0 HA ARG A 33 11.565 2.944 -10.503 1.00 1.00 H new ATOM 0 HB2 ARG A 33 9.568 5.134 -9.767 1.00 1.00 H new ATOM 0 HB3 ARG A 33 10.647 5.180 -11.147 1.00 1.00 H new ATOM 0 HG2 ARG A 33 9.551 2.998 -11.951 1.00 1.00 H new ATOM 0 HG3 ARG A 33 8.369 3.200 -10.673 1.00 1.00 H new ATOM 0 HD2 ARG A 33 7.667 5.375 -11.595 1.00 1.00 H new ATOM 0 HD3 ARG A 33 8.941 5.319 -12.798 1.00 1.00 H new ATOM 0 HE ARG A 33 6.424 3.767 -12.785 1.00 1.00 H new ATOM 0 HH11 ARG A 33 9.589 4.178 -14.342 1.00 1.00 H new ATOM 0 HH12 ARG A 33 9.054 3.398 -15.834 1.00 1.00 H new ATOM 0 HH21 ARG A 33 5.785 2.821 -14.719 1.00 1.00 H new ATOM 0 HH22 ARG A 33 6.941 2.644 -16.043 1.00 1.00 H new ATOM 556 N GLU A 34 13.079 4.897 -9.740 1.00 1.00 N ATOM 557 CA GLU A 34 14.105 5.778 -9.204 1.00 1.00 C ATOM 558 C GLU A 34 13.530 7.198 -9.192 1.00 1.00 C ATOM 559 O GLU A 34 12.554 7.486 -9.891 1.00 1.00 O ATOM 560 CB GLU A 34 15.363 5.650 -10.080 1.00 1.00 C ATOM 561 CG GLU A 34 16.642 6.248 -9.479 1.00 1.00 C ATOM 562 CD GLU A 34 17.122 5.492 -8.240 1.00 1.00 C ATOM 563 OE1 GLU A 34 16.581 5.726 -7.134 1.00 1.00 O ATOM 564 OE2 GLU A 34 18.026 4.629 -8.369 1.00 1.00 O ATOM 0 H GLU A 34 13.181 4.717 -10.739 1.00 1.00 H new ATOM 0 HA GLU A 34 14.393 5.517 -8.186 1.00 1.00 H new ATOM 0 HB2 GLU A 34 15.537 4.594 -10.286 1.00 1.00 H new ATOM 0 HB3 GLU A 34 15.170 6.134 -11.038 1.00 1.00 H new ATOM 0 HG2 GLU A 34 17.430 6.241 -10.232 1.00 1.00 H new ATOM 0 HG3 GLU A 34 16.462 7.290 -9.216 1.00 1.00 H new ATOM 571 N GLY A 35 14.121 8.107 -8.418 1.00 1.00 N ATOM 572 CA GLY A 35 13.604 9.464 -8.224 1.00 1.00 C ATOM 573 C GLY A 35 12.397 9.459 -7.276 1.00 1.00 C ATOM 574 O GLY A 35 11.904 10.514 -6.885 1.00 1.00 O ATOM 0 H GLY A 35 14.981 7.922 -7.902 1.00 1.00 H new ATOM 0 HA2 GLY A 35 14.389 10.102 -7.817 1.00 1.00 H new ATOM 0 HA3 GLY A 35 13.315 9.888 -9.185 1.00 1.00 H new ATOM 578 N TYR A 36 11.926 8.267 -6.916 1.00 1.00 N ATOM 579 CA TYR A 36 10.891 7.892 -5.978 1.00 1.00 C ATOM 580 C TYR A 36 11.623 6.913 -5.042 1.00 1.00 C ATOM 581 O TYR A 36 12.666 6.359 -5.413 1.00 1.00 O ATOM 582 CB TYR A 36 9.715 7.224 -6.717 1.00 1.00 C ATOM 583 CG TYR A 36 8.785 8.124 -7.529 1.00 1.00 C ATOM 584 CD1 TYR A 36 9.265 8.874 -8.621 1.00 1.00 C ATOM 585 CD2 TYR A 36 7.409 8.174 -7.223 1.00 1.00 C ATOM 586 CE1 TYR A 36 8.394 9.682 -9.373 1.00 1.00 C ATOM 587 CE2 TYR A 36 6.529 8.974 -7.975 1.00 1.00 C ATOM 588 CZ TYR A 36 7.018 9.725 -9.066 1.00 1.00 C ATOM 589 OH TYR A 36 6.196 10.531 -9.790 1.00 1.00 O ATOM 0 H TYR A 36 12.325 7.430 -7.342 1.00 1.00 H new ATOM 0 HA TYR A 36 10.448 8.730 -5.440 1.00 1.00 H new ATOM 0 HB2 TYR A 36 10.126 6.471 -7.390 1.00 1.00 H new ATOM 0 HB3 TYR A 36 9.111 6.696 -5.979 1.00 1.00 H new ATOM 0 HD1 TYR A 36 10.312 8.828 -8.883 1.00 1.00 H new ATOM 0 HD2 TYR A 36 7.025 7.590 -6.400 1.00 1.00 H new ATOM 0 HE1 TYR A 36 8.781 10.273 -10.190 1.00 1.00 H new ATOM 0 HE2 TYR A 36 5.481 9.014 -7.718 1.00 1.00 H new ATOM 0 HH TYR A 36 5.278 10.447 -9.456 1.00 1.00 H new ATOM 599 N GLY A 37 11.116 6.683 -3.836 1.00 1.00 N ATOM 600 CA GLY A 37 11.804 5.858 -2.838 1.00 1.00 C ATOM 601 C GLY A 37 11.012 4.604 -2.521 1.00 1.00 C ATOM 602 O GLY A 37 9.998 4.336 -3.155 1.00 1.00 O ATOM 0 H GLY A 37 10.222 7.059 -3.519 1.00 1.00 H new ATOM 0 HA2 GLY A 37 12.792 5.583 -3.208 1.00 1.00 H new ATOM 0 HA3 GLY A 37 11.955 6.436 -1.926 1.00 1.00 H new ATOM 606 N ARG A 38 11.440 3.814 -1.537 1.00 1.00 N ATOM 607 CA ARG A 38 10.700 2.642 -1.059 1.00 1.00 C ATOM 608 C ARG A 38 10.707 2.671 0.458 1.00 1.00 C ATOM 609 O ARG A 38 11.743 2.986 1.052 1.00 1.00 O ATOM 610 CB ARG A 38 11.277 1.330 -1.613 1.00 1.00 C ATOM 611 CG ARG A 38 10.766 1.070 -3.036 1.00 1.00 C ATOM 612 CD ARG A 38 11.448 -0.134 -3.689 1.00 1.00 C ATOM 613 NE ARG A 38 12.717 0.264 -4.329 1.00 1.00 N ATOM 614 CZ ARG A 38 13.866 -0.420 -4.274 1.00 1.00 C ATOM 615 NH1 ARG A 38 13.897 -1.672 -3.842 1.00 1.00 N ATOM 616 NH2 ARG A 38 15.014 0.127 -4.641 1.00 1.00 N ATOM 0 H ARG A 38 12.319 3.969 -1.043 1.00 1.00 H new ATOM 0 HA ARG A 38 9.673 2.683 -1.423 1.00 1.00 H new ATOM 0 HB2 ARG A 38 12.366 1.379 -1.616 1.00 1.00 H new ATOM 0 HB3 ARG A 38 10.996 0.501 -0.964 1.00 1.00 H new ATOM 0 HG2 ARG A 38 9.689 0.903 -3.008 1.00 1.00 H new ATOM 0 HG3 ARG A 38 10.935 1.956 -3.648 1.00 1.00 H new ATOM 0 HD2 ARG A 38 11.639 -0.900 -2.938 1.00 1.00 H new ATOM 0 HD3 ARG A 38 10.784 -0.575 -4.432 1.00 1.00 H new ATOM 0 HE ARG A 38 12.718 1.136 -4.859 1.00 1.00 H new ATOM 0 HH11 ARG A 38 13.036 -2.130 -3.544 1.00 1.00 H new ATOM 0 HH12 ARG A 38 14.782 -2.178 -3.807 1.00 1.00 H new ATOM 0 HH21 ARG A 38 15.036 1.091 -4.975 1.00 1.00 H new ATOM 0 HH22 ARG A 38 15.877 -0.415 -4.590 1.00 1.00 H new ATOM 630 N ILE A 39 9.584 2.360 1.091 1.00 1.00 N ATOM 631 CA ILE A 39 9.489 2.329 2.545 1.00 1.00 C ATOM 632 C ILE A 39 10.009 0.935 2.927 1.00 1.00 C ATOM 633 O ILE A 39 9.492 -0.052 2.401 1.00 1.00 O ATOM 634 CB ILE A 39 8.039 2.582 3.029 1.00 1.00 C ATOM 635 CG1 ILE A 39 7.357 3.767 2.301 1.00 1.00 C ATOM 636 CG2 ILE A 39 8.071 2.861 4.546 1.00 1.00 C ATOM 637 CD1 ILE A 39 5.860 3.905 2.602 1.00 1.00 C ATOM 0 H ILE A 39 8.715 2.123 0.613 1.00 1.00 H new ATOM 0 HA ILE A 39 10.070 3.118 3.022 1.00 1.00 H new ATOM 0 HB ILE A 39 7.452 1.692 2.801 1.00 1.00 H new ATOM 0 HG12 ILE A 39 7.861 4.692 2.583 1.00 1.00 H new ATOM 0 HG13 ILE A 39 7.491 3.646 1.226 1.00 1.00 H new ATOM 0 HG21 ILE A 39 7.057 3.042 4.904 1.00 1.00 H new ATOM 0 HG22 ILE A 39 8.491 2.000 5.066 1.00 1.00 H new ATOM 0 HG23 ILE A 39 8.687 3.739 4.742 1.00 1.00 H new ATOM 0 HD11 ILE A 39 5.456 4.757 2.055 1.00 1.00 H new ATOM 0 HD12 ILE A 39 5.342 2.997 2.294 1.00 1.00 H new ATOM 0 HD13 ILE A 39 5.717 4.059 3.671 1.00 1.00 H new ATOM 649 N PRO A 40 11.065 0.816 3.748 1.00 1.00 N ATOM 650 CA PRO A 40 11.642 -0.484 4.046 1.00 1.00 C ATOM 651 C PRO A 40 10.687 -1.292 4.936 1.00 1.00 C ATOM 652 O PRO A 40 9.866 -0.754 5.682 1.00 1.00 O ATOM 653 CB PRO A 40 13.010 -0.190 4.645 1.00 1.00 C ATOM 654 CG PRO A 40 12.755 1.114 5.380 1.00 1.00 C ATOM 655 CD PRO A 40 11.797 1.860 4.448 1.00 1.00 C ATOM 0 HA PRO A 40 11.779 -1.122 3.173 1.00 1.00 H new ATOM 0 HB2 PRO A 40 13.340 -0.981 5.319 1.00 1.00 H new ATOM 0 HB3 PRO A 40 13.778 -0.084 3.878 1.00 1.00 H new ATOM 0 HG2 PRO A 40 12.311 0.943 6.361 1.00 1.00 H new ATOM 0 HG3 PRO A 40 13.677 1.673 5.540 1.00 1.00 H new ATOM 0 HD2 PRO A 40 11.123 2.506 5.010 1.00 1.00 H new ATOM 0 HD3 PRO A 40 12.341 2.497 3.750 1.00 1.00 H new ATOM 663 N ARG A 41 10.829 -2.613 4.891 1.00 1.00 N ATOM 664 CA ARG A 41 9.956 -3.565 5.559 1.00 1.00 C ATOM 665 C ARG A 41 9.931 -3.432 7.078 1.00 1.00 C ATOM 666 O ARG A 41 8.861 -3.570 7.658 1.00 1.00 O ATOM 667 CB ARG A 41 10.311 -4.979 5.066 1.00 1.00 C ATOM 668 CG ARG A 41 9.281 -6.041 5.474 1.00 1.00 C ATOM 669 CD ARG A 41 9.852 -7.170 6.344 1.00 1.00 C ATOM 670 NE ARG A 41 10.474 -6.700 7.598 1.00 1.00 N ATOM 671 CZ ARG A 41 10.239 -7.135 8.844 1.00 1.00 C ATOM 672 NH1 ARG A 41 9.326 -8.067 9.088 1.00 1.00 N ATOM 673 NH2 ARG A 41 10.934 -6.642 9.862 1.00 1.00 N ATOM 0 H ARG A 41 11.582 -3.063 4.370 1.00 1.00 H new ATOM 0 HA ARG A 41 8.925 -3.341 5.285 1.00 1.00 H new ATOM 0 HB2 ARG A 41 10.398 -4.966 3.980 1.00 1.00 H new ATOM 0 HB3 ARG A 41 11.287 -5.259 5.461 1.00 1.00 H new ATOM 0 HG2 ARG A 41 8.470 -5.555 6.016 1.00 1.00 H new ATOM 0 HG3 ARG A 41 8.847 -6.475 4.573 1.00 1.00 H new ATOM 0 HD2 ARG A 41 9.052 -7.869 6.586 1.00 1.00 H new ATOM 0 HD3 ARG A 41 10.594 -7.722 5.766 1.00 1.00 H new ATOM 0 HE ARG A 41 11.165 -5.955 7.505 1.00 1.00 H new ATOM 0 HH11 ARG A 41 8.787 -8.467 8.320 1.00 1.00 H new ATOM 0 HH12 ARG A 41 9.163 -8.384 10.044 1.00 1.00 H new ATOM 0 HH21 ARG A 41 11.647 -5.932 9.696 1.00 1.00 H new ATOM 0 HH22 ARG A 41 10.755 -6.973 10.810 1.00 1.00 H new ATOM 687 N GLY A 42 11.054 -3.160 7.743 1.00 1.00 N ATOM 688 CA GLY A 42 11.068 -3.005 9.197 1.00 1.00 C ATOM 689 C GLY A 42 10.221 -1.812 9.617 1.00 1.00 C ATOM 690 O GLY A 42 9.403 -1.909 10.542 1.00 1.00 O ATOM 0 H GLY A 42 11.964 -3.043 7.298 1.00 1.00 H new ATOM 0 HA2 GLY A 42 10.688 -3.911 9.668 1.00 1.00 H new ATOM 0 HA3 GLY A 42 12.093 -2.871 9.544 1.00 1.00 H new ATOM 694 N ALA A 43 10.382 -0.696 8.897 1.00 1.00 N ATOM 695 CA ALA A 43 9.565 0.486 9.108 1.00 1.00 C ATOM 696 C ALA A 43 8.106 0.097 8.900 1.00 1.00 C ATOM 697 O ALA A 43 7.268 0.342 9.759 1.00 1.00 O ATOM 698 CB ALA A 43 9.972 1.610 8.158 1.00 1.00 C ATOM 0 H ALA A 43 11.079 -0.595 8.159 1.00 1.00 H new ATOM 0 HA ALA A 43 9.709 0.859 10.122 1.00 1.00 H new ATOM 0 HB1 ALA A 43 9.344 2.483 8.337 1.00 1.00 H new ATOM 0 HB2 ALA A 43 11.016 1.872 8.330 1.00 1.00 H new ATOM 0 HB3 ALA A 43 9.847 1.279 7.127 1.00 1.00 H new ATOM 704 N LEU A 44 7.807 -0.566 7.786 1.00 1.00 N ATOM 705 CA LEU A 44 6.448 -0.944 7.456 1.00 1.00 C ATOM 706 C LEU A 44 5.798 -1.831 8.512 1.00 1.00 C ATOM 707 O LEU A 44 4.641 -1.591 8.830 1.00 1.00 O ATOM 708 CB LEU A 44 6.390 -1.592 6.076 1.00 1.00 C ATOM 709 CG LEU A 44 6.567 -0.611 4.909 1.00 1.00 C ATOM 710 CD1 LEU A 44 6.664 -1.430 3.627 1.00 1.00 C ATOM 711 CD2 LEU A 44 5.383 0.362 4.804 1.00 1.00 C ATOM 0 H LEU A 44 8.500 -0.852 7.094 1.00 1.00 H new ATOM 0 HA LEU A 44 5.864 -0.024 7.436 1.00 1.00 H new ATOM 0 HB2 LEU A 44 7.165 -2.356 6.014 1.00 1.00 H new ATOM 0 HB3 LEU A 44 5.432 -2.100 5.966 1.00 1.00 H new ATOM 0 HG LEU A 44 7.466 -0.017 5.072 1.00 1.00 H new ATOM 0 HD11 LEU A 44 6.791 -0.760 2.776 1.00 1.00 H new ATOM 0 HD12 LEU A 44 7.519 -2.103 3.689 1.00 1.00 H new ATOM 0 HD13 LEU A 44 5.752 -2.013 3.498 1.00 1.00 H new ATOM 0 HD21 LEU A 44 5.543 1.041 3.967 1.00 1.00 H new ATOM 0 HD22 LEU A 44 4.463 -0.200 4.644 1.00 1.00 H new ATOM 0 HD23 LEU A 44 5.301 0.936 5.727 1.00 1.00 H new ATOM 723 N LEU A 45 6.486 -2.836 9.058 1.00 1.00 N ATOM 724 CA LEU A 45 5.927 -3.645 10.149 1.00 1.00 C ATOM 725 C LEU A 45 5.785 -2.866 11.452 1.00 1.00 C ATOM 726 O LEU A 45 4.883 -3.196 12.228 1.00 1.00 O ATOM 727 CB LEU A 45 6.665 -4.976 10.393 1.00 1.00 C ATOM 728 CG LEU A 45 6.302 -6.162 9.480 1.00 1.00 C ATOM 729 CD1 LEU A 45 4.817 -6.544 9.543 1.00 1.00 C ATOM 730 CD2 LEU A 45 6.706 -5.947 8.028 1.00 1.00 C ATOM 0 H LEU A 45 7.425 -3.110 8.767 1.00 1.00 H new ATOM 0 HA LEU A 45 4.928 -3.903 9.797 1.00 1.00 H new ATOM 0 HB2 LEU A 45 7.735 -4.791 10.297 1.00 1.00 H new ATOM 0 HB3 LEU A 45 6.485 -5.277 11.425 1.00 1.00 H new ATOM 0 HG LEU A 45 6.886 -6.991 9.880 1.00 1.00 H new ATOM 0 HD11 LEU A 45 4.629 -7.386 8.877 1.00 1.00 H new ATOM 0 HD12 LEU A 45 4.556 -6.824 10.564 1.00 1.00 H new ATOM 0 HD13 LEU A 45 4.209 -5.694 9.234 1.00 1.00 H new ATOM 0 HD21 LEU A 45 6.422 -6.819 7.438 1.00 1.00 H new ATOM 0 HD22 LEU A 45 6.201 -5.064 7.637 1.00 1.00 H new ATOM 0 HD23 LEU A 45 7.785 -5.804 7.968 1.00 1.00 H new ATOM 742 N SER A 46 6.644 -1.880 11.731 1.00 1.00 N ATOM 743 CA SER A 46 6.461 -1.044 12.906 1.00 1.00 C ATOM 744 C SER A 46 5.306 -0.043 12.698 1.00 1.00 C ATOM 745 O SER A 46 4.726 0.428 13.675 1.00 1.00 O ATOM 746 CB SER A 46 7.786 -0.390 13.305 1.00 1.00 C ATOM 747 OG SER A 46 8.579 0.076 12.235 1.00 1.00 O ATOM 0 H SER A 46 7.460 -1.649 11.164 1.00 1.00 H new ATOM 0 HA SER A 46 6.161 -1.664 13.751 1.00 1.00 H new ATOM 0 HB2 SER A 46 7.572 0.448 13.968 1.00 1.00 H new ATOM 0 HB3 SER A 46 8.368 -1.110 13.879 1.00 1.00 H new ATOM 0 HG SER A 46 8.013 0.223 11.448 1.00 1.00 H new ATOM 753 N MET A 47 4.943 0.259 11.447 1.00 1.00 N ATOM 754 CA MET A 47 3.818 1.099 11.063 1.00 1.00 C ATOM 755 C MET A 47 2.527 0.271 11.003 1.00 1.00 C ATOM 756 O MET A 47 2.542 -0.922 10.689 1.00 1.00 O ATOM 757 CB MET A 47 4.104 1.685 9.663 1.00 1.00 C ATOM 758 CG MET A 47 5.275 2.681 9.619 1.00 1.00 C ATOM 759 SD MET A 47 6.056 2.941 7.996 1.00 1.00 S ATOM 760 CE MET A 47 4.608 3.386 7.018 1.00 1.00 C ATOM 0 H MET A 47 5.455 -0.096 10.640 1.00 1.00 H new ATOM 0 HA MET A 47 3.692 1.894 11.798 1.00 1.00 H new ATOM 0 HB2 MET A 47 4.314 0.866 8.975 1.00 1.00 H new ATOM 0 HB3 MET A 47 3.205 2.183 9.300 1.00 1.00 H new ATOM 0 HG2 MET A 47 4.918 3.644 9.985 1.00 1.00 H new ATOM 0 HG3 MET A 47 6.041 2.339 10.316 1.00 1.00 H new ATOM 0 HE1 MET A 47 4.917 3.632 6.002 1.00 1.00 H new ATOM 0 HE2 MET A 47 3.914 2.546 6.993 1.00 1.00 H new ATOM 0 HE3 MET A 47 4.117 4.250 7.467 1.00 1.00 H new ATOM 770 N ASP A 48 1.385 0.907 11.251 1.00 1.00 N ATOM 771 CA ASP A 48 0.033 0.355 11.138 1.00 1.00 C ATOM 772 C ASP A 48 -0.548 0.813 9.802 1.00 1.00 C ATOM 773 O ASP A 48 0.191 1.110 8.857 1.00 1.00 O ATOM 774 CB ASP A 48 -0.854 0.810 12.314 1.00 1.00 C ATOM 775 CG ASP A 48 -1.244 2.285 12.261 1.00 1.00 C ATOM 776 OD1 ASP A 48 -0.355 3.154 12.158 1.00 1.00 O ATOM 777 OD2 ASP A 48 -2.461 2.572 12.288 1.00 1.00 O ATOM 0 H ASP A 48 1.376 1.881 11.555 1.00 1.00 H new ATOM 0 HA ASP A 48 0.070 -0.734 11.177 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -1.761 0.205 12.328 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -0.328 0.617 13.249 1.00 1.00 H new ATOM 782 N ALA A 49 -1.873 0.801 9.711 1.00 1.00 N ATOM 783 CA ALA A 49 -2.619 1.292 8.563 1.00 1.00 C ATOM 784 C ALA A 49 -2.586 2.825 8.483 1.00 1.00 C ATOM 785 O ALA A 49 -2.436 3.360 7.385 1.00 1.00 O ATOM 786 CB ALA A 49 -4.063 0.785 8.651 1.00 1.00 C ATOM 0 H ALA A 49 -2.472 0.440 10.454 1.00 1.00 H new ATOM 0 HA ALA A 49 -2.152 0.914 7.653 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -4.629 1.149 7.794 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -4.066 -0.305 8.652 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -4.521 1.150 9.570 1.00 1.00 H new ATOM 792 N LEU A 50 -2.720 3.541 9.608 1.00 1.00 N ATOM 793 CA LEU A 50 -2.688 5.005 9.638 1.00 1.00 C ATOM 794 C LEU A 50 -1.287 5.494 9.313 1.00 1.00 C ATOM 795 O LEU A 50 -1.138 6.306 8.399 1.00 1.00 O ATOM 796 CB LEU A 50 -3.158 5.541 10.999 1.00 1.00 C ATOM 797 CG LEU A 50 -3.341 7.076 11.030 1.00 1.00 C ATOM 798 CD1 LEU A 50 -4.364 7.436 12.111 1.00 1.00 C ATOM 799 CD2 LEU A 50 -2.052 7.856 11.346 1.00 1.00 C ATOM 0 H LEU A 50 -2.854 3.116 10.526 1.00 1.00 H new ATOM 0 HA LEU A 50 -3.377 5.386 8.884 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -4.103 5.065 11.261 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -2.435 5.254 11.762 1.00 1.00 H new ATOM 0 HG LEU A 50 -3.664 7.358 10.028 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -4.498 8.517 12.139 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -5.317 6.958 11.884 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -4.006 7.090 13.081 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -2.265 8.925 11.349 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -1.677 7.558 12.325 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -1.300 7.638 10.588 1.00 1.00 H new ATOM 811 N ASP A 51 -0.275 4.987 10.029 1.00 1.00 N ATOM 812 CA ASP A 51 1.120 5.300 9.749 1.00 1.00 C ATOM 813 C ASP A 51 1.409 5.045 8.291 1.00 1.00 C ATOM 814 O ASP A 51 1.978 5.921 7.652 1.00 1.00 O ATOM 815 CB ASP A 51 2.151 4.517 10.577 1.00 1.00 C ATOM 816 CG ASP A 51 2.447 5.028 11.981 1.00 1.00 C ATOM 817 OD1 ASP A 51 2.725 6.248 12.095 1.00 1.00 O ATOM 818 OD2 ASP A 51 2.663 4.198 12.899 1.00 1.00 O ATOM 0 H ASP A 51 -0.406 4.351 10.815 1.00 1.00 H new ATOM 0 HA ASP A 51 1.232 6.348 10.026 1.00 1.00 H new ATOM 0 HB2 ASP A 51 1.807 3.486 10.658 1.00 1.00 H new ATOM 0 HB3 ASP A 51 3.088 4.498 10.020 1.00 1.00 H new ATOM 823 N LEU A 52 1.020 3.880 7.755 1.00 1.00 N ATOM 824 CA LEU A 52 1.180 3.628 6.333 1.00 1.00 C ATOM 825 C LEU A 52 0.535 4.737 5.537 1.00 1.00 C ATOM 826 O LEU A 52 1.254 5.364 4.782 1.00 1.00 O ATOM 827 CB LEU A 52 0.629 2.270 5.898 1.00 1.00 C ATOM 828 CG LEU A 52 0.652 2.134 4.350 1.00 1.00 C ATOM 829 CD1 LEU A 52 1.832 1.297 3.861 1.00 1.00 C ATOM 830 CD2 LEU A 52 -0.680 1.585 3.869 1.00 1.00 C ATOM 0 H LEU A 52 0.600 3.114 8.282 1.00 1.00 H new ATOM 0 HA LEU A 52 2.251 3.605 6.134 1.00 1.00 H new ATOM 0 HB2 LEU A 52 1.221 1.472 6.346 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -0.392 2.153 6.263 1.00 1.00 H new ATOM 0 HG LEU A 52 0.795 3.124 3.917 1.00 1.00 H new ATOM 0 HD11 LEU A 52 1.805 1.231 2.773 1.00 1.00 H new ATOM 0 HD12 LEU A 52 2.765 1.766 4.173 1.00 1.00 H new ATOM 0 HD13 LEU A 52 1.769 0.296 4.287 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -0.664 1.490 2.783 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -0.853 0.606 4.317 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.481 2.264 4.162 1.00 1.00 H new ATOM 842 N THR A 53 -0.770 4.938 5.642 1.00 1.00 N ATOM 843 CA THR A 53 -1.493 5.898 4.830 1.00 1.00 C ATOM 844 C THR A 53 -0.784 7.250 4.780 1.00 1.00 C ATOM 845 O THR A 53 -0.512 7.763 3.690 1.00 1.00 O ATOM 846 CB THR A 53 -2.926 5.986 5.369 1.00 1.00 C ATOM 847 OG1 THR A 53 -3.525 4.706 5.319 1.00 1.00 O ATOM 848 CG2 THR A 53 -3.775 6.949 4.552 1.00 1.00 C ATOM 0 H THR A 53 -1.361 4.432 6.302 1.00 1.00 H new ATOM 0 HA THR A 53 -1.526 5.566 3.792 1.00 1.00 H new ATOM 0 HB THR A 53 -2.874 6.352 6.394 1.00 1.00 H new ATOM 0 HG1 THR A 53 -3.286 4.201 6.124 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.783 6.985 4.964 1.00 1.00 H new ATOM 0 HG22 THR A 53 -3.333 7.945 4.588 1.00 1.00 H new ATOM 0 HG23 THR A 53 -3.818 6.609 3.517 1.00 1.00 H new ATOM 856 N ASP A 54 -0.457 7.807 5.943 1.00 1.00 N ATOM 857 CA ASP A 54 0.156 9.125 6.012 1.00 1.00 C ATOM 858 C ASP A 54 1.570 9.088 5.433 1.00 1.00 C ATOM 859 O ASP A 54 1.933 9.982 4.665 1.00 1.00 O ATOM 860 CB ASP A 54 0.123 9.668 7.450 1.00 1.00 C ATOM 861 CG ASP A 54 -1.234 10.268 7.839 1.00 1.00 C ATOM 862 OD1 ASP A 54 -2.127 10.431 6.979 1.00 1.00 O ATOM 863 OD2 ASP A 54 -1.388 10.701 9.006 1.00 1.00 O ATOM 0 H ASP A 54 -0.607 7.364 6.849 1.00 1.00 H new ATOM 0 HA ASP A 54 -0.423 9.817 5.401 1.00 1.00 H new ATOM 0 HB2 ASP A 54 0.368 8.862 8.141 1.00 1.00 H new ATOM 0 HB3 ASP A 54 0.895 10.429 7.562 1.00 1.00 H new ATOM 868 N LYS A 55 2.351 8.043 5.736 1.00 1.00 N ATOM 869 CA LYS A 55 3.698 7.863 5.202 1.00 1.00 C ATOM 870 C LYS A 55 3.631 7.746 3.689 1.00 1.00 C ATOM 871 O LYS A 55 4.178 8.585 2.997 1.00 1.00 O ATOM 872 CB LYS A 55 4.373 6.618 5.819 1.00 1.00 C ATOM 873 CG LYS A 55 5.908 6.632 5.726 1.00 1.00 C ATOM 874 CD LYS A 55 6.582 6.876 7.090 1.00 1.00 C ATOM 875 CE LYS A 55 6.529 8.326 7.589 1.00 1.00 C ATOM 876 NZ LYS A 55 5.164 8.785 7.917 1.00 1.00 N ATOM 0 H LYS A 55 2.059 7.295 6.365 1.00 1.00 H new ATOM 0 HA LYS A 55 4.303 8.731 5.466 1.00 1.00 H new ATOM 0 HB2 LYS A 55 4.083 6.541 6.867 1.00 1.00 H new ATOM 0 HB3 LYS A 55 3.996 5.726 5.318 1.00 1.00 H new ATOM 0 HG2 LYS A 55 6.252 5.681 5.320 1.00 1.00 H new ATOM 0 HG3 LYS A 55 6.219 7.409 5.027 1.00 1.00 H new ATOM 0 HD2 LYS A 55 6.108 6.234 7.833 1.00 1.00 H new ATOM 0 HD3 LYS A 55 7.626 6.569 7.023 1.00 1.00 H new ATOM 0 HE2 LYS A 55 7.158 8.421 8.474 1.00 1.00 H new ATOM 0 HE3 LYS A 55 6.951 8.980 6.826 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 5.168 9.248 8.848 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 4.843 9.462 7.196 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 4.519 7.969 7.938 1.00 1.00 H new ATOM 890 N LEU A 56 2.973 6.706 3.187 1.00 1.00 N ATOM 891 CA LEU A 56 2.829 6.286 1.804 1.00 1.00 C ATOM 892 C LEU A 56 2.410 7.480 0.954 1.00 1.00 C ATOM 893 O LEU A 56 3.038 7.726 -0.073 1.00 1.00 O ATOM 894 CB LEU A 56 1.867 5.073 1.821 1.00 1.00 C ATOM 895 CG LEU A 56 1.371 4.398 0.533 1.00 1.00 C ATOM 896 CD1 LEU A 56 0.478 5.344 -0.251 1.00 1.00 C ATOM 897 CD2 LEU A 56 2.448 3.807 -0.381 1.00 1.00 C ATOM 0 H LEU A 56 2.475 6.070 3.810 1.00 1.00 H new ATOM 0 HA LEU A 56 3.753 5.951 1.334 1.00 1.00 H new ATOM 0 HB2 LEU A 56 2.353 4.297 2.413 1.00 1.00 H new ATOM 0 HB3 LEU A 56 0.980 5.386 2.372 1.00 1.00 H new ATOM 0 HG LEU A 56 0.810 3.532 0.885 1.00 1.00 H new ATOM 0 HD11 LEU A 56 0.135 4.851 -1.160 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -0.382 5.621 0.358 1.00 1.00 H new ATOM 0 HD13 LEU A 56 1.040 6.240 -0.514 1.00 1.00 H new ATOM 0 HD21 LEU A 56 1.977 3.359 -1.256 1.00 1.00 H new ATOM 0 HD22 LEU A 56 3.128 4.597 -0.700 1.00 1.00 H new ATOM 0 HD23 LEU A 56 3.007 3.044 0.161 1.00 1.00 H new ATOM 909 N VAL A 57 1.405 8.253 1.369 1.00 1.00 N ATOM 910 CA VAL A 57 0.991 9.420 0.605 1.00 1.00 C ATOM 911 C VAL A 57 2.067 10.517 0.660 1.00 1.00 C ATOM 912 O VAL A 57 2.524 10.952 -0.396 1.00 1.00 O ATOM 913 CB VAL A 57 -0.412 9.859 1.056 1.00 1.00 C ATOM 914 CG1 VAL A 57 -0.822 11.184 0.409 1.00 1.00 C ATOM 915 CG2 VAL A 57 -1.432 8.775 0.656 1.00 1.00 C ATOM 0 H VAL A 57 0.870 8.090 2.222 1.00 1.00 H new ATOM 0 HA VAL A 57 0.902 9.176 -0.454 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.393 9.995 2.137 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -1.819 11.463 0.751 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -0.111 11.961 0.690 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -0.828 11.073 -0.675 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -2.430 9.079 0.973 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.419 8.645 -0.426 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.170 7.833 1.138 1.00 1.00 H new ATOM 925 N SER A 58 2.506 10.953 1.845 1.00 1.00 N ATOM 926 CA SER A 58 3.454 12.063 1.987 1.00 1.00 C ATOM 927 C SER A 58 4.805 11.759 1.317 1.00 1.00 C ATOM 928 O SER A 58 5.477 12.668 0.822 1.00 1.00 O ATOM 929 CB SER A 58 3.625 12.329 3.492 1.00 1.00 C ATOM 930 OG SER A 58 4.283 13.546 3.790 1.00 1.00 O ATOM 0 H SER A 58 2.214 10.546 2.734 1.00 1.00 H new ATOM 0 HA SER A 58 3.066 12.947 1.482 1.00 1.00 H new ATOM 0 HB2 SER A 58 2.642 12.334 3.964 1.00 1.00 H new ATOM 0 HB3 SER A 58 4.187 11.506 3.934 1.00 1.00 H new ATOM 0 HG SER A 58 4.355 13.649 4.762 1.00 1.00 H new ATOM 936 N PHE A 59 5.214 10.493 1.317 1.00 1.00 N ATOM 937 CA PHE A 59 6.443 9.953 0.752 1.00 1.00 C ATOM 938 C PHE A 59 6.378 9.850 -0.770 1.00 1.00 C ATOM 939 O PHE A 59 7.429 9.792 -1.412 1.00 1.00 O ATOM 940 CB PHE A 59 6.638 8.565 1.371 1.00 1.00 C ATOM 941 CG PHE A 59 7.923 7.830 1.067 1.00 1.00 C ATOM 942 CD1 PHE A 59 9.106 8.149 1.756 1.00 1.00 C ATOM 943 CD2 PHE A 59 7.906 6.749 0.174 1.00 1.00 C ATOM 944 CE1 PHE A 59 10.269 7.388 1.539 1.00 1.00 C ATOM 945 CE2 PHE A 59 9.063 5.980 -0.032 1.00 1.00 C ATOM 946 CZ PHE A 59 10.249 6.301 0.650 1.00 1.00 C ATOM 0 H PHE A 59 4.648 9.762 1.747 1.00 1.00 H new ATOM 0 HA PHE A 59 7.278 10.616 0.977 1.00 1.00 H new ATOM 0 HB2 PHE A 59 6.559 8.667 2.453 1.00 1.00 H new ATOM 0 HB3 PHE A 59 5.808 7.936 1.049 1.00 1.00 H new ATOM 0 HD1 PHE A 59 9.122 8.976 2.450 1.00 1.00 H new ATOM 0 HD2 PHE A 59 6.998 6.506 -0.358 1.00 1.00 H new ATOM 0 HE1 PHE A 59 11.181 7.641 2.058 1.00 1.00 H new ATOM 0 HE2 PHE A 59 9.041 5.143 -0.714 1.00 1.00 H new ATOM 0 HZ PHE A 59 11.142 5.714 0.491 1.00 1.00 H new ATOM 956 N TYR A 60 5.175 9.824 -1.352 1.00 1.00 N ATOM 957 CA TYR A 60 5.005 9.826 -2.794 1.00 1.00 C ATOM 958 C TYR A 60 4.153 11.030 -3.187 1.00 1.00 C ATOM 959 O TYR A 60 4.688 12.137 -3.209 1.00 1.00 O ATOM 960 CB TYR A 60 4.388 8.482 -3.222 1.00 1.00 C ATOM 961 CG TYR A 60 5.271 7.266 -3.011 1.00 1.00 C ATOM 962 CD1 TYR A 60 6.547 7.189 -3.601 1.00 1.00 C ATOM 963 CD2 TYR A 60 4.800 6.194 -2.236 1.00 1.00 C ATOM 964 CE1 TYR A 60 7.324 6.028 -3.450 1.00 1.00 C ATOM 965 CE2 TYR A 60 5.594 5.056 -2.035 1.00 1.00 C ATOM 966 CZ TYR A 60 6.838 4.947 -2.677 1.00 1.00 C ATOM 967 OH TYR A 60 7.550 3.800 -2.522 1.00 1.00 O ATOM 0 H TYR A 60 4.298 9.801 -0.831 1.00 1.00 H new ATOM 0 HA TYR A 60 5.959 9.923 -3.313 1.00 1.00 H new ATOM 0 HB2 TYR A 60 3.459 8.336 -2.671 1.00 1.00 H new ATOM 0 HB3 TYR A 60 4.126 8.541 -4.278 1.00 1.00 H new ATOM 0 HD1 TYR A 60 6.929 8.023 -4.170 1.00 1.00 H new ATOM 0 HD2 TYR A 60 3.817 6.247 -1.791 1.00 1.00 H new ATOM 0 HE1 TYR A 60 8.292 5.961 -3.924 1.00 1.00 H new ATOM 0 HE2 TYR A 60 5.249 4.264 -1.387 1.00 1.00 H new ATOM 0 HH TYR A 60 8.508 4.003 -2.550 1.00 1.00 H new ATOM 977 N LEU A 61 2.848 10.846 -3.378 1.00 1.00 N ATOM 978 CA LEU A 61 1.795 11.776 -3.795 1.00 1.00 C ATOM 979 C LEU A 61 0.477 11.074 -3.463 1.00 1.00 C ATOM 980 O LEU A 61 0.466 9.855 -3.280 1.00 1.00 O ATOM 981 CB LEU A 61 1.781 12.033 -5.319 1.00 1.00 C ATOM 982 CG LEU A 61 2.753 13.034 -5.975 1.00 1.00 C ATOM 983 CD1 LEU A 61 3.003 14.278 -5.113 1.00 1.00 C ATOM 984 CD2 LEU A 61 4.048 12.378 -6.472 1.00 1.00 C ATOM 0 H LEU A 61 2.451 9.919 -3.224 1.00 1.00 H new ATOM 0 HA LEU A 61 1.952 12.732 -3.295 1.00 1.00 H new ATOM 0 HB2 LEU A 61 1.942 11.070 -5.804 1.00 1.00 H new ATOM 0 HB3 LEU A 61 0.772 12.355 -5.577 1.00 1.00 H new ATOM 0 HG LEU A 61 2.245 13.393 -6.870 1.00 1.00 H new ATOM 0 HD11 LEU A 61 3.695 14.944 -5.628 1.00 1.00 H new ATOM 0 HD12 LEU A 61 2.060 14.797 -4.941 1.00 1.00 H new ATOM 0 HD13 LEU A 61 3.432 13.978 -4.157 1.00 1.00 H new ATOM 0 HD21 LEU A 61 4.689 13.135 -6.923 1.00 1.00 H new ATOM 0 HD22 LEU A 61 4.567 11.916 -5.632 1.00 1.00 H new ATOM 0 HD23 LEU A 61 3.808 11.616 -7.214 1.00 1.00 H new ATOM 996 N GLU A 62 -0.649 11.791 -3.478 1.00 1.00 N ATOM 997 CA GLU A 62 -1.965 11.188 -3.289 1.00 1.00 C ATOM 998 C GLU A 62 -2.228 10.181 -4.417 1.00 1.00 C ATOM 999 O GLU A 62 -2.534 9.016 -4.162 1.00 1.00 O ATOM 1000 CB GLU A 62 -3.069 12.262 -3.262 1.00 1.00 C ATOM 1001 CG GLU A 62 -2.951 13.270 -2.110 1.00 1.00 C ATOM 1002 CD GLU A 62 -2.188 14.556 -2.465 1.00 1.00 C ATOM 1003 OE1 GLU A 62 -0.963 14.501 -2.728 1.00 1.00 O ATOM 1004 OE2 GLU A 62 -2.799 15.652 -2.373 1.00 1.00 O ATOM 0 H GLU A 62 -0.672 12.801 -3.621 1.00 1.00 H new ATOM 0 HA GLU A 62 -1.980 10.673 -2.328 1.00 1.00 H new ATOM 0 HB2 GLU A 62 -3.052 12.806 -4.207 1.00 1.00 H new ATOM 0 HB3 GLU A 62 -4.038 11.767 -3.197 1.00 1.00 H new ATOM 0 HG2 GLU A 62 -3.953 13.538 -1.774 1.00 1.00 H new ATOM 0 HG3 GLU A 62 -2.452 12.786 -1.270 1.00 1.00 H new ATOM 1011 N THR A 63 -2.065 10.629 -5.666 1.00 1.00 N ATOM 1012 CA THR A 63 -2.360 9.868 -6.874 1.00 1.00 C ATOM 1013 C THR A 63 -1.498 8.602 -6.908 1.00 1.00 C ATOM 1014 O THR A 63 -2.033 7.489 -6.952 1.00 1.00 O ATOM 1015 CB THR A 63 -2.106 10.757 -8.111 1.00 1.00 C ATOM 1016 OG1 THR A 63 -2.529 12.085 -7.859 1.00 1.00 O ATOM 1017 CG2 THR A 63 -2.882 10.246 -9.324 1.00 1.00 C ATOM 0 H THR A 63 -1.711 11.565 -5.865 1.00 1.00 H new ATOM 0 HA THR A 63 -3.406 9.563 -6.880 1.00 1.00 H new ATOM 0 HB THR A 63 -1.036 10.727 -8.315 1.00 1.00 H new ATOM 0 HG1 THR A 63 -2.361 12.638 -8.651 1.00 1.00 H new ATOM 0 HG21 THR A 63 -2.684 10.891 -10.180 1.00 1.00 H new ATOM 0 HG22 THR A 63 -2.567 9.229 -9.555 1.00 1.00 H new ATOM 0 HG23 THR A 63 -3.949 10.254 -9.103 1.00 1.00 H new ATOM 1025 N TYR A 64 -0.172 8.782 -6.849 1.00 1.00 N ATOM 1026 CA TYR A 64 0.798 7.697 -6.894 1.00 1.00 C ATOM 1027 C TYR A 64 0.637 6.787 -5.685 1.00 1.00 C ATOM 1028 O TYR A 64 0.825 5.584 -5.802 1.00 1.00 O ATOM 1029 CB TYR A 64 2.228 8.266 -6.940 1.00 1.00 C ATOM 1030 CG TYR A 64 3.300 7.238 -7.268 1.00 1.00 C ATOM 1031 CD1 TYR A 64 3.886 6.433 -6.267 1.00 1.00 C ATOM 1032 CD2 TYR A 64 3.708 7.076 -8.604 1.00 1.00 C ATOM 1033 CE1 TYR A 64 4.829 5.448 -6.610 1.00 1.00 C ATOM 1034 CE2 TYR A 64 4.639 6.087 -8.958 1.00 1.00 C ATOM 1035 CZ TYR A 64 5.186 5.252 -7.964 1.00 1.00 C ATOM 1036 OH TYR A 64 6.037 4.253 -8.326 1.00 1.00 O ATOM 0 H TYR A 64 0.257 9.704 -6.767 1.00 1.00 H new ATOM 0 HA TYR A 64 0.620 7.111 -7.796 1.00 1.00 H new ATOM 0 HB2 TYR A 64 2.266 9.063 -7.683 1.00 1.00 H new ATOM 0 HB3 TYR A 64 2.458 8.718 -5.975 1.00 1.00 H new ATOM 0 HD1 TYR A 64 3.609 6.574 -5.233 1.00 1.00 H new ATOM 0 HD2 TYR A 64 3.300 7.721 -9.368 1.00 1.00 H new ATOM 0 HE1 TYR A 64 5.281 4.841 -5.839 1.00 1.00 H new ATOM 0 HE2 TYR A 64 4.935 5.967 -9.990 1.00 1.00 H new ATOM 0 HH TYR A 64 6.166 4.269 -9.297 1.00 1.00 H new ATOM 1046 N GLY A 65 0.283 7.334 -4.522 1.00 1.00 N ATOM 1047 CA GLY A 65 0.129 6.561 -3.312 1.00 1.00 C ATOM 1048 C GLY A 65 -1.015 5.559 -3.462 1.00 1.00 C ATOM 1049 O GLY A 65 -0.842 4.362 -3.211 1.00 1.00 O ATOM 0 H GLY A 65 0.097 8.330 -4.403 1.00 1.00 H new ATOM 0 HA2 GLY A 65 1.056 6.033 -3.090 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -0.069 7.226 -2.471 1.00 1.00 H new ATOM 1053 N ALA A 66 -2.188 6.029 -3.895 1.00 1.00 N ATOM 1054 CA ALA A 66 -3.331 5.151 -4.113 1.00 1.00 C ATOM 1055 C ALA A 66 -3.047 4.147 -5.232 1.00 1.00 C ATOM 1056 O ALA A 66 -3.417 2.977 -5.120 1.00 1.00 O ATOM 1057 CB ALA A 66 -4.576 5.986 -4.415 1.00 1.00 C ATOM 0 H ALA A 66 -2.367 7.012 -4.100 1.00 1.00 H new ATOM 0 HA ALA A 66 -3.512 4.577 -3.204 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -5.427 5.325 -4.577 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -4.784 6.646 -3.573 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -4.405 6.583 -5.311 1.00 1.00 H new ATOM 1063 N GLU A 67 -2.365 4.598 -6.286 1.00 1.00 N ATOM 1064 CA GLU A 67 -1.989 3.756 -7.413 1.00 1.00 C ATOM 1065 C GLU A 67 -1.089 2.615 -6.942 1.00 1.00 C ATOM 1066 O GLU A 67 -1.391 1.451 -7.211 1.00 1.00 O ATOM 1067 CB GLU A 67 -1.298 4.572 -8.515 1.00 1.00 C ATOM 1068 CG GLU A 67 -1.148 3.672 -9.751 1.00 1.00 C ATOM 1069 CD GLU A 67 -0.671 4.396 -11.004 1.00 1.00 C ATOM 1070 OE1 GLU A 67 -0.299 5.587 -10.953 1.00 1.00 O ATOM 1071 OE2 GLU A 67 -0.646 3.735 -12.071 1.00 1.00 O ATOM 0 H GLU A 67 -2.058 5.566 -6.378 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.899 3.333 -7.838 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -1.885 5.458 -8.758 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -0.322 4.920 -8.176 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -0.445 2.872 -9.519 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -2.109 3.202 -9.962 1.00 1.00 H new ATOM 1078 N LEU A 68 -0.013 2.955 -6.224 1.00 1.00 N ATOM 1079 CA LEU A 68 0.922 2.035 -5.595 1.00 1.00 C ATOM 1080 C LEU A 68 0.148 1.032 -4.771 1.00 1.00 C ATOM 1081 O LEU A 68 0.375 -0.163 -4.910 1.00 1.00 O ATOM 1082 CB LEU A 68 1.921 2.802 -4.711 1.00 1.00 C ATOM 1083 CG LEU A 68 2.883 1.866 -3.955 1.00 1.00 C ATOM 1084 CD1 LEU A 68 4.090 2.679 -3.500 1.00 1.00 C ATOM 1085 CD2 LEU A 68 2.252 1.244 -2.703 1.00 1.00 C ATOM 0 H LEU A 68 0.236 3.931 -6.062 1.00 1.00 H new ATOM 0 HA LEU A 68 1.489 1.512 -6.365 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.499 3.486 -5.332 1.00 1.00 H new ATOM 0 HB3 LEU A 68 1.372 3.410 -3.992 1.00 1.00 H new ATOM 0 HG LEU A 68 3.151 1.060 -4.639 1.00 1.00 H new ATOM 0 HD11 LEU A 68 4.783 2.032 -2.962 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.591 3.104 -4.370 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.760 3.483 -2.842 1.00 1.00 H new ATOM 0 HD21 LEU A 68 2.978 0.595 -2.214 1.00 1.00 H new ATOM 0 HD22 LEU A 68 1.951 2.035 -2.016 1.00 1.00 H new ATOM 0 HD23 LEU A 68 1.377 0.659 -2.988 1.00 1.00 H new ATOM 1097 N THR A 69 -0.729 1.513 -3.896 1.00 1.00 N ATOM 1098 CA THR A 69 -1.452 0.662 -2.976 1.00 1.00 C ATOM 1099 C THR A 69 -2.204 -0.400 -3.783 1.00 1.00 C ATOM 1100 O THR A 69 -1.968 -1.581 -3.555 1.00 1.00 O ATOM 1101 CB THR A 69 -2.305 1.529 -2.045 1.00 1.00 C ATOM 1102 OG1 THR A 69 -1.460 2.431 -1.360 1.00 1.00 O ATOM 1103 CG2 THR A 69 -3.059 0.709 -0.996 1.00 1.00 C ATOM 0 H THR A 69 -0.954 2.504 -3.810 1.00 1.00 H new ATOM 0 HA THR A 69 -0.792 0.108 -2.308 1.00 1.00 H new ATOM 0 HB THR A 69 -3.038 2.042 -2.668 1.00 1.00 H new ATOM 0 HG1 THR A 69 -1.220 3.171 -1.956 1.00 1.00 H new ATOM 0 HG21 THR A 69 -3.646 1.377 -0.365 1.00 1.00 H new ATOM 0 HG22 THR A 69 -3.723 0.003 -1.495 1.00 1.00 H new ATOM 0 HG23 THR A 69 -2.345 0.162 -0.380 1.00 1.00 H new ATOM 1111 N ALA A 70 -3.011 -0.026 -4.781 1.00 1.00 N ATOM 1112 CA ALA A 70 -3.672 -0.999 -5.648 1.00 1.00 C ATOM 1113 C ALA A 70 -2.659 -1.889 -6.381 1.00 1.00 C ATOM 1114 O ALA A 70 -2.907 -3.083 -6.501 1.00 1.00 O ATOM 1115 CB ALA A 70 -4.529 -0.252 -6.685 1.00 1.00 C ATOM 0 H ALA A 70 -3.221 0.946 -5.006 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.294 -1.639 -5.023 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -5.025 -0.973 -7.335 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -5.279 0.349 -6.172 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -3.891 0.398 -7.284 1.00 1.00 H new ATOM 1121 N ASN A 71 -1.528 -1.360 -6.856 1.00 1.00 N ATOM 1122 CA ASN A 71 -0.520 -2.134 -7.588 1.00 1.00 C ATOM 1123 C ASN A 71 0.009 -3.278 -6.741 1.00 1.00 C ATOM 1124 O ASN A 71 0.061 -4.426 -7.175 1.00 1.00 O ATOM 1125 CB ASN A 71 0.681 -1.264 -7.973 1.00 1.00 C ATOM 1126 CG ASN A 71 1.632 -2.050 -8.865 1.00 1.00 C ATOM 1127 OD1 ASN A 71 2.576 -2.674 -8.384 1.00 1.00 O ATOM 1128 ND2 ASN A 71 1.397 -2.071 -10.163 1.00 1.00 N ATOM 0 H ASN A 71 -1.284 -0.376 -6.743 1.00 1.00 H new ATOM 0 HA ASN A 71 -1.014 -2.514 -8.482 1.00 1.00 H new ATOM 0 HB2 ASN A 71 0.340 -0.368 -8.492 1.00 1.00 H new ATOM 0 HB3 ASN A 71 1.203 -0.933 -7.075 1.00 1.00 H new ATOM 0 HD21 ASN A 71 2.002 -2.610 -10.782 1.00 1.00 H new ATOM 0 HD22 ASN A 71 0.610 -1.548 -10.547 1.00 1.00 H new ATOM 1135 N VAL A 72 0.451 -2.922 -5.542 1.00 1.00 N ATOM 1136 CA VAL A 72 1.016 -3.818 -4.541 1.00 1.00 C ATOM 1137 C VAL A 72 -0.075 -4.765 -4.005 1.00 1.00 C ATOM 1138 O VAL A 72 0.196 -5.936 -3.752 1.00 1.00 O ATOM 1139 CB VAL A 72 1.726 -2.987 -3.452 1.00 1.00 C ATOM 1140 CG1 VAL A 72 2.369 -3.881 -2.385 1.00 1.00 C ATOM 1141 CG2 VAL A 72 2.862 -2.124 -4.040 1.00 1.00 C ATOM 0 H VAL A 72 0.424 -1.953 -5.225 1.00 1.00 H new ATOM 0 HA VAL A 72 1.777 -4.463 -4.980 1.00 1.00 H new ATOM 0 HB VAL A 72 0.949 -2.359 -3.015 1.00 1.00 H new ATOM 0 HG11 VAL A 72 2.859 -3.259 -1.636 1.00 1.00 H new ATOM 0 HG12 VAL A 72 1.600 -4.487 -1.906 1.00 1.00 H new ATOM 0 HG13 VAL A 72 3.106 -4.534 -2.853 1.00 1.00 H new ATOM 0 HG21 VAL A 72 3.337 -1.554 -3.241 1.00 1.00 H new ATOM 0 HG22 VAL A 72 3.601 -2.770 -4.514 1.00 1.00 H new ATOM 0 HG23 VAL A 72 2.451 -1.438 -4.781 1.00 1.00 H new ATOM 1151 N LEU A 73 -1.320 -4.310 -3.860 1.00 1.00 N ATOM 1152 CA LEU A 73 -2.435 -5.172 -3.470 1.00 1.00 C ATOM 1153 C LEU A 73 -2.612 -6.211 -4.585 1.00 1.00 C ATOM 1154 O LEU A 73 -2.570 -7.411 -4.336 1.00 1.00 O ATOM 1155 CB LEU A 73 -3.688 -4.314 -3.205 1.00 1.00 C ATOM 1156 CG LEU A 73 -3.641 -3.554 -1.857 1.00 1.00 C ATOM 1157 CD1 LEU A 73 -4.756 -2.510 -1.854 1.00 1.00 C ATOM 1158 CD2 LEU A 73 -3.743 -4.382 -0.574 1.00 1.00 C ATOM 0 H LEU A 73 -1.583 -3.336 -4.009 1.00 1.00 H new ATOM 0 HA LEU A 73 -2.247 -5.704 -2.538 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -3.804 -3.594 -4.015 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -4.569 -4.956 -3.221 1.00 1.00 H new ATOM 0 HG LEU A 73 -2.637 -3.131 -1.820 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -4.740 -1.963 -0.911 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -4.605 -1.815 -2.680 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -5.720 -3.006 -1.969 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -3.696 -3.720 0.291 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.688 -4.924 -0.565 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -2.917 -5.092 -0.533 1.00 1.00 H new ATOM 1170 N ARG A 74 -2.696 -5.784 -5.844 1.00 1.00 N ATOM 1171 CA ARG A 74 -2.758 -6.696 -6.982 1.00 1.00 C ATOM 1172 C ARG A 74 -1.514 -7.594 -7.044 1.00 1.00 C ATOM 1173 O ARG A 74 -1.642 -8.737 -7.479 1.00 1.00 O ATOM 1174 CB ARG A 74 -2.954 -5.904 -8.285 1.00 1.00 C ATOM 1175 CG ARG A 74 -3.517 -6.803 -9.396 1.00 1.00 C ATOM 1176 CD ARG A 74 -3.462 -6.161 -10.781 1.00 1.00 C ATOM 1177 NE ARG A 74 -2.083 -6.048 -11.287 1.00 1.00 N ATOM 1178 CZ ARG A 74 -1.389 -4.921 -11.479 1.00 1.00 C ATOM 1179 NH1 ARG A 74 -1.823 -3.739 -11.046 1.00 1.00 N ATOM 1180 NH2 ARG A 74 -0.237 -4.990 -12.125 1.00 1.00 N ATOM 0 H ARG A 74 -2.723 -4.798 -6.102 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.617 -7.354 -6.854 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -3.632 -5.069 -8.109 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -2.002 -5.479 -8.603 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -2.958 -7.738 -9.415 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -4.551 -7.054 -9.161 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -4.056 -6.753 -11.478 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -3.914 -5.170 -10.739 1.00 1.00 H new ATOM 0 HE ARG A 74 -1.608 -6.921 -11.515 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -2.712 -3.673 -10.550 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -1.267 -2.900 -11.211 1.00 1.00 H new ATOM 0 HH21 ARG A 74 0.104 -5.889 -12.465 1.00 1.00 H new ATOM 0 HH22 ARG A 74 0.310 -4.144 -12.284 1.00 1.00 H new ATOM 1194 N ASP A 75 -0.339 -7.141 -6.592 1.00 1.00 N ATOM 1195 CA ASP A 75 0.890 -7.936 -6.506 1.00 1.00 C ATOM 1196 C ASP A 75 0.678 -9.102 -5.539 1.00 1.00 C ATOM 1197 O ASP A 75 1.054 -10.232 -5.849 1.00 1.00 O ATOM 1198 CB ASP A 75 2.074 -7.061 -6.095 1.00 1.00 C ATOM 1199 CG ASP A 75 3.402 -7.795 -6.203 1.00 1.00 C ATOM 1200 OD1 ASP A 75 3.757 -8.550 -5.280 1.00 1.00 O ATOM 1201 OD2 ASP A 75 4.115 -7.567 -7.207 1.00 1.00 O ATOM 0 H ASP A 75 -0.214 -6.182 -6.266 1.00 1.00 H new ATOM 0 HA ASP A 75 1.126 -8.347 -7.488 1.00 1.00 H new ATOM 0 HB2 ASP A 75 2.101 -6.172 -6.725 1.00 1.00 H new ATOM 0 HB3 ASP A 75 1.932 -6.721 -5.069 1.00 1.00 H new ATOM 1206 N MET A 76 -0.005 -8.862 -4.412 1.00 1.00 N ATOM 1207 CA MET A 76 -0.385 -9.913 -3.460 1.00 1.00 C ATOM 1208 C MET A 76 -1.428 -10.863 -4.079 1.00 1.00 C ATOM 1209 O MET A 76 -1.763 -11.881 -3.470 1.00 1.00 O ATOM 1210 CB MET A 76 -1.011 -9.314 -2.185 1.00 1.00 C ATOM 1211 CG MET A 76 -0.116 -8.390 -1.363 1.00 1.00 C ATOM 1212 SD MET A 76 -1.062 -7.454 -0.130 1.00 1.00 S ATOM 1213 CE MET A 76 -1.348 -8.706 1.154 1.00 1.00 C ATOM 0 H MET A 76 -0.311 -7.929 -4.134 1.00 1.00 H new ATOM 0 HA MET A 76 0.529 -10.454 -3.213 1.00 1.00 H new ATOM 0 HB2 MET A 76 -1.905 -8.760 -2.471 1.00 1.00 H new ATOM 0 HB3 MET A 76 -1.336 -10.134 -1.545 1.00 1.00 H new ATOM 0 HG2 MET A 76 0.651 -8.980 -0.861 1.00 1.00 H new ATOM 0 HG3 MET A 76 0.399 -7.697 -2.028 1.00 1.00 H new ATOM 0 HE1 MET A 76 -2.063 -8.323 1.882 1.00 1.00 H new ATOM 0 HE2 MET A 76 -1.746 -9.612 0.697 1.00 1.00 H new ATOM 0 HE3 MET A 76 -0.407 -8.935 1.655 1.00 1.00 H new ATOM 1223 N GLY A 77 -1.947 -10.560 -5.273 1.00 1.00 N ATOM 1224 CA GLY A 77 -3.020 -11.280 -5.945 1.00 1.00 C ATOM 1225 C GLY A 77 -4.381 -10.737 -5.497 1.00 1.00 C ATOM 1226 O GLY A 77 -5.415 -11.336 -5.796 1.00 1.00 O ATOM 0 H GLY A 77 -1.610 -9.767 -5.819 1.00 1.00 H new ATOM 0 HA2 GLY A 77 -2.917 -11.177 -7.025 1.00 1.00 H new ATOM 0 HA3 GLY A 77 -2.952 -12.344 -5.718 1.00 1.00 H new ATOM 1230 N LEU A 78 -4.395 -9.605 -4.790 1.00 1.00 N ATOM 1231 CA LEU A 78 -5.557 -8.985 -4.180 1.00 1.00 C ATOM 1232 C LEU A 78 -6.090 -7.880 -5.114 1.00 1.00 C ATOM 1233 O LEU A 78 -5.948 -6.681 -4.856 1.00 1.00 O ATOM 1234 CB LEU A 78 -5.101 -8.493 -2.789 1.00 1.00 C ATOM 1235 CG LEU A 78 -6.179 -8.241 -1.725 1.00 1.00 C ATOM 1236 CD1 LEU A 78 -5.782 -7.005 -0.924 1.00 1.00 C ATOM 1237 CD2 LEU A 78 -7.581 -8.034 -2.274 1.00 1.00 C ATOM 0 H LEU A 78 -3.542 -9.071 -4.622 1.00 1.00 H new ATOM 0 HA LEU A 78 -6.397 -9.666 -4.040 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -4.401 -9.226 -2.388 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -4.546 -7.565 -2.928 1.00 1.00 H new ATOM 0 HG LEU A 78 -6.225 -9.143 -1.115 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -6.536 -6.808 -0.162 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -4.818 -7.176 -0.445 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -5.709 -6.147 -1.592 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -8.273 -7.863 -1.449 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -7.588 -7.170 -2.938 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -7.889 -8.920 -2.829 1.00 1.00 H new ATOM 1249 N GLN A 79 -6.664 -8.286 -6.248 1.00 1.00 N ATOM 1250 CA GLN A 79 -7.193 -7.392 -7.277 1.00 1.00 C ATOM 1251 C GLN A 79 -8.487 -6.687 -6.850 1.00 1.00 C ATOM 1252 O GLN A 79 -8.729 -5.564 -7.293 1.00 1.00 O ATOM 1253 CB GLN A 79 -7.420 -8.166 -8.593 1.00 1.00 C ATOM 1254 CG GLN A 79 -8.616 -9.138 -8.558 1.00 1.00 C ATOM 1255 CD GLN A 79 -8.693 -10.040 -9.783 1.00 1.00 C ATOM 1256 OE1 GLN A 79 -8.899 -9.573 -10.902 1.00 1.00 O ATOM 1257 NE2 GLN A 79 -8.548 -11.337 -9.597 1.00 1.00 N ATOM 0 H GLN A 79 -6.776 -9.273 -6.481 1.00 1.00 H new ATOM 0 HA GLN A 79 -6.445 -6.614 -7.431 1.00 1.00 H new ATOM 0 HB2 GLN A 79 -7.572 -7.450 -9.401 1.00 1.00 H new ATOM 0 HB3 GLN A 79 -6.517 -8.728 -8.831 1.00 1.00 H new ATOM 0 HG2 GLN A 79 -8.547 -9.757 -7.663 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -9.540 -8.565 -8.479 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -8.378 -11.702 -8.660 1.00 1.00 H new ATOM 0 HE22 GLN A 79 -8.606 -11.976 -10.390 1.00 1.00 H new ATOM 1266 N GLU A 80 -9.316 -7.324 -6.016 1.00 1.00 N ATOM 1267 CA GLU A 80 -10.630 -6.808 -5.626 1.00 1.00 C ATOM 1268 C GLU A 80 -10.502 -5.494 -4.841 1.00 1.00 C ATOM 1269 O GLU A 80 -11.109 -4.478 -5.209 1.00 1.00 O ATOM 1270 CB GLU A 80 -11.446 -7.917 -4.923 1.00 1.00 C ATOM 1271 CG GLU A 80 -10.886 -8.386 -3.568 1.00 1.00 C ATOM 1272 CD GLU A 80 -11.120 -9.877 -3.296 1.00 1.00 C ATOM 1273 OE1 GLU A 80 -12.288 -10.291 -3.111 1.00 1.00 O ATOM 1274 OE2 GLU A 80 -10.144 -10.661 -3.296 1.00 1.00 O ATOM 0 H GLU A 80 -9.090 -8.222 -5.589 1.00 1.00 H new ATOM 0 HA GLU A 80 -11.204 -6.537 -6.512 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -12.463 -7.556 -4.772 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -11.508 -8.777 -5.589 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -9.816 -8.182 -3.535 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -11.347 -7.802 -2.771 1.00 1.00 H new ATOM 1281 N MET A 81 -9.662 -5.503 -3.803 1.00 1.00 N ATOM 1282 CA MET A 81 -9.324 -4.334 -3.001 1.00 1.00 C ATOM 1283 C MET A 81 -8.747 -3.265 -3.902 1.00 1.00 C ATOM 1284 O MET A 81 -9.240 -2.147 -3.887 1.00 1.00 O ATOM 1285 CB MET A 81 -8.329 -4.727 -1.910 1.00 1.00 C ATOM 1286 CG MET A 81 -8.163 -3.626 -0.870 1.00 1.00 C ATOM 1287 SD MET A 81 -9.553 -3.503 0.288 1.00 1.00 S ATOM 1288 CE MET A 81 -9.209 -4.940 1.343 1.00 1.00 C ATOM 0 H MET A 81 -9.187 -6.350 -3.492 1.00 1.00 H new ATOM 0 HA MET A 81 -10.219 -3.940 -2.518 1.00 1.00 H new ATOM 0 HB2 MET A 81 -8.668 -5.640 -1.421 1.00 1.00 H new ATOM 0 HB3 MET A 81 -7.362 -4.948 -2.363 1.00 1.00 H new ATOM 0 HG2 MET A 81 -7.247 -3.805 -0.307 1.00 1.00 H new ATOM 0 HG3 MET A 81 -8.041 -2.671 -1.381 1.00 1.00 H new ATOM 0 HE1 MET A 81 -10.131 -5.495 1.514 1.00 1.00 H new ATOM 0 HE2 MET A 81 -8.482 -5.586 0.852 1.00 1.00 H new ATOM 0 HE3 MET A 81 -8.807 -4.602 2.298 1.00 1.00 H new ATOM 1298 N ALA A 82 -7.754 -3.619 -4.718 1.00 1.00 N ATOM 1299 CA ALA A 82 -7.105 -2.701 -5.640 1.00 1.00 C ATOM 1300 C ALA A 82 -8.133 -1.999 -6.541 1.00 1.00 C ATOM 1301 O ALA A 82 -8.039 -0.787 -6.740 1.00 1.00 O ATOM 1302 CB ALA A 82 -6.089 -3.500 -6.466 1.00 1.00 C ATOM 0 H ALA A 82 -7.376 -4.566 -4.754 1.00 1.00 H new ATOM 0 HA ALA A 82 -6.593 -1.915 -5.085 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -5.586 -2.834 -7.168 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -5.352 -3.949 -5.800 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -6.606 -4.285 -7.018 1.00 1.00 H new ATOM 1308 N GLY A 83 -9.131 -2.739 -7.031 1.00 1.00 N ATOM 1309 CA GLY A 83 -10.215 -2.224 -7.849 1.00 1.00 C ATOM 1310 C GLY A 83 -11.017 -1.162 -7.105 1.00 1.00 C ATOM 1311 O GLY A 83 -11.031 -0.001 -7.518 1.00 1.00 O ATOM 0 H GLY A 83 -9.203 -3.742 -6.860 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -9.810 -1.799 -8.767 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -10.874 -3.042 -8.140 1.00 1.00 H new ATOM 1315 N GLN A 84 -11.673 -1.545 -6.004 1.00 1.00 N ATOM 1316 CA GLN A 84 -12.526 -0.602 -5.273 1.00 1.00 C ATOM 1317 C GLN A 84 -11.732 0.565 -4.679 1.00 1.00 C ATOM 1318 O GLN A 84 -12.220 1.689 -4.668 1.00 1.00 O ATOM 1319 CB GLN A 84 -13.326 -1.315 -4.181 1.00 1.00 C ATOM 1320 CG GLN A 84 -14.574 -2.003 -4.740 1.00 1.00 C ATOM 1321 CD GLN A 84 -15.295 -2.789 -3.648 1.00 1.00 C ATOM 1322 OE1 GLN A 84 -15.917 -2.214 -2.754 1.00 1.00 O ATOM 1323 NE2 GLN A 84 -15.210 -4.105 -3.685 1.00 1.00 N ATOM 0 H GLN A 84 -11.632 -2.483 -5.605 1.00 1.00 H new ATOM 0 HA GLN A 84 -13.222 -0.184 -6.000 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -12.692 -2.055 -3.692 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -13.621 -0.594 -3.418 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -15.247 -1.257 -5.162 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -14.292 -2.674 -5.551 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -14.690 -4.562 -4.434 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -15.664 -4.666 -2.964 1.00 1.00 H new ATOM 1332 N LEU A 85 -10.505 0.326 -4.222 1.00 1.00 N ATOM 1333 CA LEU A 85 -9.584 1.335 -3.715 1.00 1.00 C ATOM 1334 C LEU A 85 -9.346 2.410 -4.772 1.00 1.00 C ATOM 1335 O LEU A 85 -9.448 3.616 -4.495 1.00 1.00 O ATOM 1336 CB LEU A 85 -8.268 0.625 -3.382 1.00 1.00 C ATOM 1337 CG LEU A 85 -7.149 1.564 -2.923 1.00 1.00 C ATOM 1338 CD1 LEU A 85 -7.179 1.719 -1.418 1.00 1.00 C ATOM 1339 CD2 LEU A 85 -5.813 0.943 -3.269 1.00 1.00 C ATOM 0 H LEU A 85 -10.111 -0.615 -4.195 1.00 1.00 H new ATOM 0 HA LEU A 85 -9.996 1.820 -2.830 1.00 1.00 H new ATOM 0 HB2 LEU A 85 -8.453 -0.112 -2.600 1.00 1.00 H new ATOM 0 HB3 LEU A 85 -7.930 0.078 -4.262 1.00 1.00 H new ATOM 0 HG LEU A 85 -7.287 2.529 -3.411 1.00 1.00 H new ATOM 0 HD11 LEU A 85 -6.378 2.389 -1.105 1.00 1.00 H new ATOM 0 HD12 LEU A 85 -8.140 2.135 -1.114 1.00 1.00 H new ATOM 0 HD13 LEU A 85 -7.041 0.745 -0.949 1.00 1.00 H new ATOM 0 HD21 LEU A 85 -5.010 1.605 -2.946 1.00 1.00 H new ATOM 0 HD22 LEU A 85 -5.717 -0.018 -2.764 1.00 1.00 H new ATOM 0 HD23 LEU A 85 -5.749 0.794 -4.347 1.00 1.00 H new ATOM 1351 N GLN A 86 -9.000 1.968 -5.988 1.00 1.00 N ATOM 1352 CA GLN A 86 -8.838 2.883 -7.092 1.00 1.00 C ATOM 1353 C GLN A 86 -10.158 3.611 -7.292 1.00 1.00 C ATOM 1354 O GLN A 86 -10.133 4.830 -7.244 1.00 1.00 O ATOM 1355 CB GLN A 86 -8.367 2.186 -8.370 1.00 1.00 C ATOM 1356 CG GLN A 86 -7.985 3.231 -9.437 1.00 1.00 C ATOM 1357 CD GLN A 86 -8.551 2.860 -10.799 1.00 1.00 C ATOM 1358 OE1 GLN A 86 -8.015 1.985 -11.473 1.00 1.00 O ATOM 1359 NE2 GLN A 86 -9.647 3.474 -11.216 1.00 1.00 N ATOM 0 H GLN A 86 -8.831 0.988 -6.217 1.00 1.00 H new ATOM 0 HA GLN A 86 -8.050 3.598 -6.856 1.00 1.00 H new ATOM 0 HB2 GLN A 86 -7.510 1.549 -8.151 1.00 1.00 H new ATOM 0 HB3 GLN A 86 -9.156 1.538 -8.751 1.00 1.00 H new ATOM 0 HG2 GLN A 86 -8.359 4.211 -9.140 1.00 1.00 H new ATOM 0 HG3 GLN A 86 -6.900 3.309 -9.501 1.00 1.00 H new ATOM 0 HE21 GLN A 86 -10.076 4.198 -10.640 1.00 1.00 H new ATOM 0 HE22 GLN A 86 -10.062 3.223 -12.113 1.00 1.00 H new ATOM 1368 N ALA A 87 -11.288 2.916 -7.461 1.00 1.00 N ATOM 1369 CA ALA A 87 -12.570 3.557 -7.739 1.00 1.00 C ATOM 1370 C ALA A 87 -13.003 4.540 -6.641 1.00 1.00 C ATOM 1371 O ALA A 87 -13.746 5.486 -6.915 1.00 1.00 O ATOM 1372 CB ALA A 87 -13.647 2.493 -7.972 1.00 1.00 C ATOM 0 H ALA A 87 -11.336 1.898 -7.409 1.00 1.00 H new ATOM 0 HA ALA A 87 -12.441 4.150 -8.644 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -14.600 2.979 -8.179 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -13.366 1.870 -8.821 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -13.743 1.871 -7.082 1.00 1.00 H new ATOM 1378 N ALA A 88 -12.575 4.338 -5.393 1.00 1.00 N ATOM 1379 CA ALA A 88 -12.819 5.256 -4.291 1.00 1.00 C ATOM 1380 C ALA A 88 -12.008 6.530 -4.533 1.00 1.00 C ATOM 1381 O ALA A 88 -12.558 7.632 -4.476 1.00 1.00 O ATOM 1382 CB ALA A 88 -12.452 4.593 -2.959 1.00 1.00 C ATOM 0 H ALA A 88 -12.039 3.514 -5.120 1.00 1.00 H new ATOM 0 HA ALA A 88 -13.876 5.516 -4.239 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -12.639 5.290 -2.142 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -13.058 3.698 -2.819 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -11.397 4.319 -2.968 1.00 1.00 H new ATOM 1388 N THR A 89 -10.720 6.388 -4.856 1.00 1.00 N ATOM 1389 CA THR A 89 -9.853 7.532 -5.120 1.00 1.00 C ATOM 1390 C THR A 89 -10.220 8.272 -6.414 1.00 1.00 C ATOM 1391 O THR A 89 -10.314 9.500 -6.429 1.00 1.00 O ATOM 1392 CB THR A 89 -8.375 7.100 -5.100 1.00 1.00 C ATOM 1393 OG1 THR A 89 -8.109 6.226 -4.016 1.00 1.00 O ATOM 1394 CG2 THR A 89 -7.470 8.332 -4.942 1.00 1.00 C ATOM 0 H THR A 89 -10.255 5.484 -4.941 1.00 1.00 H new ATOM 0 HA THR A 89 -10.010 8.252 -4.317 1.00 1.00 H new ATOM 0 HB THR A 89 -8.173 6.587 -6.041 1.00 1.00 H new ATOM 0 HG1 THR A 89 -8.442 5.329 -4.229 1.00 1.00 H new ATOM 0 HG21 THR A 89 -6.426 8.018 -4.929 1.00 1.00 H new ATOM 0 HG22 THR A 89 -7.633 9.013 -5.777 1.00 1.00 H new ATOM 0 HG23 THR A 89 -7.708 8.841 -4.008 1.00 1.00 H new