USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 700 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 42 ASN : amide:sc= -0.983 K(o=-2.1,f=-0.7) USER MOD Set 1.2: A 43 SER OG : rot 53:sc= -1.14 USER MOD Set 2.1: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 14 THR OG1 : rot 40:sc= -0.627! USER MOD Set 3.2: A 17 SER OG : rot -78:sc= 1.19 USER MOD Single : A 1 VAL N :NH3+ -160:sc= -0.137 (180deg=-0.814) USER MOD Single : A 2 SER OG : rot 180:sc= -0.127 USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.47 USER MOD Single : A 21 SER OG : rot -170:sc=-0.00593 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 31 TYR OH : rot -47:sc=0.000185 USER MOD Single : A 32 TYR OH : rot 30:sc= -3.49! USER MOD Single : A 35 THR OG1 : rot 38:sc= 0.135 USER MOD Single : A 36 TYR OH : rot -40:sc= 0.63 USER MOD Single : A 46 GLN : amide:sc= -1.66! C(o=-1.7!,f=-2.3!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.212 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.985 USER MOD Single : A 60 SER OG : rot -113:sc= 1.1 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 120:sc= 0.0439 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.395 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.743! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 32:sc= 0.909! USER MOD Single : A 91 ASN : amide:sc= -2.08! C(o=-2.1!,f=-4.7!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 119:sc= -0.384 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 4.539 12.685 2.536 1.00 0.00 N ATOM 2 CA VAL A 1 4.124 13.638 3.592 1.00 0.00 C ATOM 3 C VAL A 1 2.617 13.849 3.548 1.00 0.00 C ATOM 4 O VAL A 1 2.017 14.233 4.531 1.00 0.00 O ATOM 5 CB VAL A 1 4.814 14.994 3.373 1.00 0.00 C ATOM 6 CG1 VAL A 1 4.367 15.967 4.467 1.00 0.00 C ATOM 7 CG2 VAL A 1 6.330 14.809 3.456 1.00 0.00 C ATOM 0 H1 VAL A 1 5.471 12.289 2.773 1.00 0.00 H new ATOM 0 H2 VAL A 1 3.843 11.916 2.470 1.00 0.00 H new ATOM 0 H3 VAL A 1 4.595 13.181 1.624 1.00 0.00 H new ATOM 0 HA VAL A 1 4.410 13.225 4.559 1.00 0.00 H new ATOM 0 HB VAL A 1 4.545 15.389 2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 1 4.853 16.931 4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 1 3.286 16.095 4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 1 4.644 15.569 5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 1 6.823 15.769 3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 1 6.596 14.419 4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 1 6.653 14.107 2.688 1.00 0.00 H new ATOM 19 N SER A 2 2.028 13.594 2.409 1.00 0.00 N ATOM 20 CA SER A 2 0.560 13.780 2.305 1.00 0.00 C ATOM 21 C SER A 2 0.004 13.185 1.013 1.00 0.00 C ATOM 22 O SER A 2 -0.975 12.466 1.039 1.00 0.00 O ATOM 23 CB SER A 2 0.263 15.287 2.320 1.00 0.00 C ATOM 24 OG SER A 2 1.474 15.885 1.887 1.00 0.00 O ATOM 0 H SER A 2 2.495 13.270 1.562 1.00 0.00 H new ATOM 0 HA SER A 2 0.087 13.270 3.144 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.564 15.536 1.655 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.015 15.628 3.317 1.00 0.00 H new ATOM 0 HG SER A 2 1.369 16.859 1.866 1.00 0.00 H new ATOM 30 N ASP A 3 0.638 13.496 -0.097 1.00 0.00 N ATOM 31 CA ASP A 3 0.152 12.952 -1.401 1.00 0.00 C ATOM 32 C ASP A 3 1.303 12.419 -2.252 1.00 0.00 C ATOM 33 O ASP A 3 1.125 12.140 -3.420 1.00 0.00 O ATOM 34 CB ASP A 3 -0.534 14.095 -2.170 1.00 0.00 C ATOM 35 CG ASP A 3 -2.033 14.088 -1.862 1.00 0.00 C ATOM 36 OD1 ASP A 3 -2.732 13.410 -2.595 1.00 0.00 O ATOM 37 OD2 ASP A 3 -2.395 14.761 -0.910 1.00 0.00 O ATOM 0 H ASP A 3 1.461 14.096 -0.153 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.535 12.130 -1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -0.098 15.052 -1.885 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.371 13.976 -3.241 1.00 0.00 H new ATOM 42 N VAL A 4 2.460 12.284 -1.646 1.00 0.00 N ATOM 43 CA VAL A 4 3.640 11.768 -2.406 1.00 0.00 C ATOM 44 C VAL A 4 4.126 10.409 -1.826 1.00 0.00 C ATOM 45 O VAL A 4 4.701 10.385 -0.757 1.00 0.00 O ATOM 46 CB VAL A 4 4.781 12.782 -2.242 1.00 0.00 C ATOM 47 CG1 VAL A 4 5.809 12.568 -3.361 1.00 0.00 C ATOM 48 CG2 VAL A 4 4.211 14.196 -2.343 1.00 0.00 C ATOM 0 H VAL A 4 2.636 12.507 -0.666 1.00 0.00 H new ATOM 0 HA VAL A 4 3.358 11.629 -3.450 1.00 0.00 H new ATOM 0 HB VAL A 4 5.261 12.647 -1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.622 13.285 -3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.208 11.555 -3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.328 12.711 -4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.016 14.922 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.739 14.329 -3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.471 14.347 -1.557 1.00 0.00 H new ATOM 58 N PRO A 5 3.885 9.287 -2.532 1.00 0.00 N ATOM 59 CA PRO A 5 4.324 7.985 -2.028 1.00 0.00 C ATOM 60 C PRO A 5 5.885 7.902 -2.040 1.00 0.00 C ATOM 61 O PRO A 5 6.526 8.752 -1.457 1.00 0.00 O ATOM 62 CB PRO A 5 3.638 6.954 -2.975 1.00 0.00 C ATOM 63 CG PRO A 5 3.032 7.756 -4.164 1.00 0.00 C ATOM 64 CD PRO A 5 3.169 9.244 -3.827 1.00 0.00 C ATOM 0 HA PRO A 5 4.045 7.796 -0.992 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.360 6.221 -3.334 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.860 6.403 -2.446 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.555 7.522 -5.091 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.985 7.491 -4.313 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.725 9.773 -4.601 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.192 9.722 -3.752 1.00 0.00 H new ATOM 72 N ARG A 6 6.485 6.908 -2.685 1.00 0.00 N ATOM 73 CA ARG A 6 7.990 6.872 -2.667 1.00 0.00 C ATOM 74 C ARG A 6 8.602 5.814 -3.587 1.00 0.00 C ATOM 75 O ARG A 6 7.917 5.064 -4.237 1.00 0.00 O ATOM 76 CB ARG A 6 8.461 6.597 -1.225 1.00 0.00 C ATOM 77 CG ARG A 6 7.553 5.543 -0.563 1.00 0.00 C ATOM 78 CD ARG A 6 8.044 5.290 0.871 1.00 0.00 C ATOM 79 NE ARG A 6 8.219 6.602 1.564 1.00 0.00 N ATOM 80 CZ ARG A 6 8.535 6.628 2.831 1.00 0.00 C ATOM 81 NH1 ARG A 6 9.229 5.643 3.336 1.00 0.00 N ATOM 82 NH2 ARG A 6 8.146 7.645 3.551 1.00 0.00 N ATOM 0 H ARG A 6 6.020 6.158 -3.197 1.00 0.00 H new ATOM 0 HA ARG A 6 8.327 7.841 -3.036 1.00 0.00 H new ATOM 0 HB2 ARG A 6 9.493 6.246 -1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.442 7.520 -0.646 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.520 5.890 -0.552 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.572 4.616 -1.136 1.00 0.00 H new ATOM 0 HD2 ARG A 6 7.327 4.672 1.411 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.987 4.744 0.855 1.00 0.00 H new ATOM 0 HE ARG A 6 8.092 7.474 1.050 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.518 4.866 2.742 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.482 5.651 4.324 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.607 8.397 3.122 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.381 7.687 4.543 1.00 0.00 H new ATOM 96 N ASP A 7 9.914 5.803 -3.599 1.00 0.00 N ATOM 97 CA ASP A 7 10.672 4.835 -4.444 1.00 0.00 C ATOM 98 C ASP A 7 9.960 3.496 -4.593 1.00 0.00 C ATOM 99 O ASP A 7 9.970 2.674 -3.698 1.00 0.00 O ATOM 100 CB ASP A 7 12.038 4.594 -3.781 1.00 0.00 C ATOM 101 CG ASP A 7 12.745 5.937 -3.574 1.00 0.00 C ATOM 102 OD1 ASP A 7 13.444 6.328 -4.495 1.00 0.00 O ATOM 103 OD2 ASP A 7 12.548 6.494 -2.507 1.00 0.00 O ATOM 0 H ASP A 7 10.497 6.434 -3.050 1.00 0.00 H new ATOM 0 HA ASP A 7 10.768 5.264 -5.442 1.00 0.00 H new ATOM 0 HB2 ASP A 7 11.907 4.088 -2.825 1.00 0.00 H new ATOM 0 HB3 ASP A 7 12.648 3.941 -4.406 1.00 0.00 H new ATOM 108 N LEU A 8 9.356 3.310 -5.732 1.00 0.00 N ATOM 109 CA LEU A 8 8.629 2.033 -5.991 1.00 0.00 C ATOM 110 C LEU A 8 9.547 0.831 -5.755 1.00 0.00 C ATOM 111 O LEU A 8 10.610 0.744 -6.338 1.00 0.00 O ATOM 112 CB LEU A 8 8.194 2.020 -7.481 1.00 0.00 C ATOM 113 CG LEU A 8 6.936 1.128 -7.674 1.00 0.00 C ATOM 114 CD1 LEU A 8 5.708 1.993 -8.017 1.00 0.00 C ATOM 115 CD2 LEU A 8 7.187 0.176 -8.831 1.00 0.00 C ATOM 0 H LEU A 8 9.333 3.985 -6.496 1.00 0.00 H new ATOM 0 HA LEU A 8 7.773 1.967 -5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.981 3.036 -7.812 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.010 1.647 -8.101 1.00 0.00 H new ATOM 0 HG LEU A 8 6.745 0.582 -6.750 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.837 1.352 -8.149 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.521 2.697 -7.206 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.896 2.543 -8.939 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.312 -0.457 -8.978 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.377 0.749 -9.739 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.052 -0.448 -8.608 1.00 0.00 H new ATOM 127 N GLU A 9 9.121 -0.083 -4.907 1.00 0.00 N ATOM 128 CA GLU A 9 9.976 -1.280 -4.636 1.00 0.00 C ATOM 129 C GLU A 9 9.261 -2.304 -3.739 1.00 0.00 C ATOM 130 O GLU A 9 8.313 -1.978 -3.040 1.00 0.00 O ATOM 131 CB GLU A 9 11.257 -0.810 -3.905 1.00 0.00 C ATOM 132 CG GLU A 9 12.385 -1.816 -4.156 1.00 0.00 C ATOM 133 CD GLU A 9 13.382 -1.753 -2.997 1.00 0.00 C ATOM 134 OE1 GLU A 9 13.622 -0.646 -2.548 1.00 0.00 O ATOM 135 OE2 GLU A 9 13.846 -2.820 -2.625 1.00 0.00 O ATOM 0 H GLU A 9 8.235 -0.050 -4.402 1.00 0.00 H new ATOM 0 HA GLU A 9 10.204 -1.757 -5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.550 0.178 -4.261 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.066 -0.720 -2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.977 -2.823 -4.246 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.888 -1.590 -5.096 1.00 0.00 H new ATOM 142 N VAL A 10 9.730 -3.531 -3.794 1.00 0.00 N ATOM 143 CA VAL A 10 9.121 -4.609 -2.967 1.00 0.00 C ATOM 144 C VAL A 10 9.860 -4.709 -1.635 1.00 0.00 C ATOM 145 O VAL A 10 11.076 -4.684 -1.610 1.00 0.00 O ATOM 146 CB VAL A 10 9.286 -5.940 -3.719 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.914 -7.094 -2.788 1.00 0.00 C ATOM 148 CG2 VAL A 10 8.358 -5.952 -4.934 1.00 0.00 C ATOM 0 H VAL A 10 10.511 -3.826 -4.380 1.00 0.00 H new ATOM 0 HA VAL A 10 8.068 -4.391 -2.786 1.00 0.00 H new ATOM 0 HB VAL A 10 10.320 -6.051 -4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.029 -8.040 -3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.568 -7.084 -1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.879 -6.982 -2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.472 -6.894 -5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.325 -5.845 -4.604 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.615 -5.125 -5.596 1.00 0.00 H new ATOM 158 N VAL A 11 9.130 -4.826 -0.545 1.00 0.00 N ATOM 159 CA VAL A 11 9.823 -4.923 0.775 1.00 0.00 C ATOM 160 C VAL A 11 9.999 -6.368 1.216 1.00 0.00 C ATOM 161 O VAL A 11 11.106 -6.824 1.423 1.00 0.00 O ATOM 162 CB VAL A 11 8.994 -4.171 1.829 1.00 0.00 C ATOM 163 CG1 VAL A 11 9.929 -3.276 2.647 1.00 0.00 C ATOM 164 CG2 VAL A 11 7.955 -3.294 1.130 1.00 0.00 C ATOM 0 H VAL A 11 8.111 -4.857 -0.515 1.00 0.00 H new ATOM 0 HA VAL A 11 10.814 -4.481 0.672 1.00 0.00 H new ATOM 0 HB VAL A 11 8.491 -4.886 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.352 -2.737 3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.682 -3.891 3.140 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.420 -2.562 1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.367 -2.761 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.460 -2.575 0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.296 -3.920 0.529 1.00 0.00 H new ATOM 174 N ALA A 12 8.918 -7.063 1.351 1.00 0.00 N ATOM 175 CA ALA A 12 9.021 -8.486 1.781 1.00 0.00 C ATOM 176 C ALA A 12 7.890 -9.330 1.202 1.00 0.00 C ATOM 177 O ALA A 12 6.940 -8.812 0.649 1.00 0.00 O ATOM 178 CB ALA A 12 8.933 -8.532 3.314 1.00 0.00 C ATOM 0 H ALA A 12 7.972 -6.719 1.186 1.00 0.00 H new ATOM 0 HA ALA A 12 9.967 -8.891 1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.006 -9.566 3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.750 -7.951 3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.980 -8.112 3.637 1.00 0.00 H new ATOM 184 N ALA A 13 8.019 -10.629 1.344 1.00 0.00 N ATOM 185 CA ALA A 13 6.970 -11.536 0.815 1.00 0.00 C ATOM 186 C ALA A 13 6.759 -12.728 1.746 1.00 0.00 C ATOM 187 O ALA A 13 7.271 -13.804 1.508 1.00 0.00 O ATOM 188 CB ALA A 13 7.431 -12.056 -0.558 1.00 0.00 C ATOM 0 H ALA A 13 8.804 -11.091 1.802 1.00 0.00 H new ATOM 0 HA ALA A 13 6.031 -10.988 0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.674 -12.726 -0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.575 -11.215 -1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.371 -12.596 -0.446 1.00 0.00 H new ATOM 194 N THR A 14 6.000 -12.515 2.794 1.00 0.00 N ATOM 195 CA THR A 14 5.745 -13.626 3.753 1.00 0.00 C ATOM 196 C THR A 14 4.905 -14.729 3.080 1.00 0.00 C ATOM 197 O THR A 14 4.263 -14.490 2.076 1.00 0.00 O ATOM 198 CB THR A 14 4.965 -13.051 4.952 1.00 0.00 C ATOM 199 OG1 THR A 14 4.499 -11.795 4.522 1.00 0.00 O ATOM 200 CG2 THR A 14 5.909 -12.720 6.122 1.00 0.00 C ATOM 0 H THR A 14 5.552 -11.628 3.022 1.00 0.00 H new ATOM 0 HA THR A 14 6.691 -14.059 4.078 1.00 0.00 H new ATOM 0 HB THR A 14 4.201 -13.763 5.265 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.207 -11.857 3.589 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.331 -12.316 6.953 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.422 -13.627 6.443 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.644 -11.982 5.799 1.00 0.00 H new ATOM 208 N PRO A 15 4.920 -15.930 3.655 1.00 0.00 N ATOM 209 CA PRO A 15 4.158 -17.050 3.100 1.00 0.00 C ATOM 210 C PRO A 15 2.683 -16.698 2.922 1.00 0.00 C ATOM 211 O PRO A 15 1.936 -17.435 2.310 1.00 0.00 O ATOM 212 CB PRO A 15 4.299 -18.181 4.143 1.00 0.00 C ATOM 213 CG PRO A 15 5.215 -17.649 5.286 1.00 0.00 C ATOM 214 CD PRO A 15 5.672 -16.239 4.884 1.00 0.00 C ATOM 0 HA PRO A 15 4.531 -17.327 2.114 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.323 -18.466 4.535 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.732 -19.072 3.687 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.674 -17.623 6.232 1.00 0.00 H new ATOM 0 HG3 PRO A 15 6.073 -18.306 5.428 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.457 -15.515 5.670 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.747 -16.208 4.707 1.00 0.00 H new ATOM 222 N THR A 16 2.291 -15.580 3.461 1.00 0.00 N ATOM 223 CA THR A 16 0.872 -15.165 3.333 1.00 0.00 C ATOM 224 C THR A 16 0.734 -13.668 3.554 1.00 0.00 C ATOM 225 O THR A 16 -0.153 -13.218 4.250 1.00 0.00 O ATOM 226 CB THR A 16 0.056 -15.900 4.403 1.00 0.00 C ATOM 227 OG1 THR A 16 0.475 -17.248 4.334 1.00 0.00 O ATOM 228 CG2 THR A 16 -1.432 -15.941 4.028 1.00 0.00 C ATOM 0 H THR A 16 2.890 -14.939 3.982 1.00 0.00 H new ATOM 0 HA THR A 16 0.513 -15.408 2.333 1.00 0.00 H new ATOM 0 HB THR A 16 0.193 -15.412 5.368 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.012 -17.777 5.000 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.988 -16.468 4.803 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.812 -14.924 3.936 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.554 -16.461 3.078 1.00 0.00 H new ATOM 236 N SER A 17 1.615 -12.924 2.954 1.00 0.00 N ATOM 237 CA SER A 17 1.554 -11.458 3.115 1.00 0.00 C ATOM 238 C SER A 17 2.609 -10.781 2.251 1.00 0.00 C ATOM 239 O SER A 17 3.790 -10.953 2.464 1.00 0.00 O ATOM 240 CB SER A 17 1.824 -11.126 4.588 1.00 0.00 C ATOM 241 OG SER A 17 2.824 -10.118 4.542 1.00 0.00 O ATOM 0 H SER A 17 2.370 -13.270 2.362 1.00 0.00 H new ATOM 0 HA SER A 17 0.571 -11.100 2.809 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.923 -10.770 5.087 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.168 -12.003 5.137 1.00 0.00 H new ATOM 0 HG SER A 17 3.695 -10.530 4.364 1.00 0.00 H new ATOM 247 N LEU A 18 2.156 -10.028 1.286 1.00 0.00 N ATOM 248 CA LEU A 18 3.110 -9.327 0.388 1.00 0.00 C ATOM 249 C LEU A 18 3.097 -7.823 0.631 1.00 0.00 C ATOM 250 O LEU A 18 2.125 -7.149 0.353 1.00 0.00 O ATOM 251 CB LEU A 18 2.689 -9.598 -1.058 1.00 0.00 C ATOM 252 CG LEU A 18 3.822 -9.184 -2.002 1.00 0.00 C ATOM 253 CD1 LEU A 18 4.762 -10.375 -2.213 1.00 0.00 C ATOM 254 CD2 LEU A 18 3.231 -8.762 -3.350 1.00 0.00 C ATOM 0 H LEU A 18 1.169 -9.870 1.083 1.00 0.00 H new ATOM 0 HA LEU A 18 4.117 -9.695 0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.459 -10.655 -1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.782 -9.042 -1.295 1.00 0.00 H new ATOM 0 HG LEU A 18 4.375 -8.351 -1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.571 -10.086 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.179 -10.684 -1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.206 -11.204 -2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.036 -8.467 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.682 -9.598 -3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.554 -7.921 -3.203 1.00 0.00 H new ATOM 266 N LEU A 19 4.185 -7.329 1.151 1.00 0.00 N ATOM 267 CA LEU A 19 4.280 -5.877 1.425 1.00 0.00 C ATOM 268 C LEU A 19 4.782 -5.158 0.172 1.00 0.00 C ATOM 269 O LEU A 19 5.844 -5.480 -0.341 1.00 0.00 O ATOM 270 CB LEU A 19 5.311 -5.685 2.575 1.00 0.00 C ATOM 271 CG LEU A 19 4.915 -4.515 3.513 1.00 0.00 C ATOM 272 CD1 LEU A 19 4.556 -3.265 2.689 1.00 0.00 C ATOM 273 CD2 LEU A 19 3.721 -4.930 4.397 1.00 0.00 C ATOM 0 H LEU A 19 5.012 -7.873 1.397 1.00 0.00 H new ATOM 0 HA LEU A 19 3.308 -5.471 1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.386 -6.606 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.297 -5.494 2.151 1.00 0.00 H new ATOM 0 HG LEU A 19 5.764 -4.276 4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.280 -2.453 3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.416 -2.964 2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.717 -3.492 2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.449 -4.103 5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.871 -5.186 3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.998 -5.795 5.000 1.00 0.00 H new ATOM 285 N ILE A 20 4.002 -4.207 -0.309 1.00 0.00 N ATOM 286 CA ILE A 20 4.421 -3.459 -1.532 1.00 0.00 C ATOM 287 C ILE A 20 4.425 -1.949 -1.298 1.00 0.00 C ATOM 288 O ILE A 20 3.651 -1.432 -0.517 1.00 0.00 O ATOM 289 CB ILE A 20 3.438 -3.804 -2.683 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.115 -3.042 -2.546 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.130 -5.308 -2.619 1.00 0.00 C ATOM 292 CD1 ILE A 20 2.120 -1.849 -3.513 1.00 0.00 C ATOM 0 H ILE A 20 3.107 -3.925 0.091 1.00 0.00 H new ATOM 0 HA ILE A 20 5.438 -3.755 -1.789 1.00 0.00 H new ATOM 0 HB ILE A 20 3.904 -3.523 -3.628 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.276 -3.702 -2.767 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.985 -2.695 -1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.440 -5.572 -3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.054 -5.874 -2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.677 -5.546 -1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.182 -1.302 -3.421 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.951 -1.187 -3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.231 -2.210 -4.536 1.00 0.00 H new ATOM 304 N SER A 21 5.319 -1.283 -1.972 1.00 0.00 N ATOM 305 CA SER A 21 5.416 0.195 -1.830 1.00 0.00 C ATOM 306 C SER A 21 5.491 0.818 -3.209 1.00 0.00 C ATOM 307 O SER A 21 6.208 0.318 -4.054 1.00 0.00 O ATOM 308 CB SER A 21 6.708 0.522 -1.057 1.00 0.00 C ATOM 309 OG SER A 21 6.986 -0.664 -0.329 1.00 0.00 O ATOM 0 H SER A 21 5.989 -1.701 -2.618 1.00 0.00 H new ATOM 0 HA SER A 21 4.548 0.585 -1.298 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.524 0.775 -1.734 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.570 1.375 -0.392 1.00 0.00 H new ATOM 0 HG SER A 21 7.706 -0.492 0.314 1.00 0.00 H new ATOM 315 N TRP A 22 4.754 1.902 -3.432 1.00 0.00 N ATOM 316 CA TRP A 22 4.811 2.537 -4.797 1.00 0.00 C ATOM 317 C TRP A 22 5.334 3.960 -4.773 1.00 0.00 C ATOM 318 O TRP A 22 5.755 4.461 -3.757 1.00 0.00 O ATOM 319 CB TRP A 22 3.415 2.544 -5.432 1.00 0.00 C ATOM 320 CG TRP A 22 2.452 3.403 -4.610 1.00 0.00 C ATOM 321 CD1 TRP A 22 2.295 4.696 -4.793 1.00 0.00 C ATOM 322 CD2 TRP A 22 1.613 2.948 -3.709 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.291 5.019 -3.961 1.00 0.00 N ATOM 324 CE2 TRP A 22 0.799 3.958 -3.229 1.00 0.00 C ATOM 325 CE3 TRP A 22 1.474 1.671 -3.224 1.00 0.00 C ATOM 326 CZ2 TRP A 22 -0.153 3.680 -2.266 1.00 0.00 C ATOM 327 CZ3 TRP A 22 0.523 1.392 -2.262 1.00 0.00 C ATOM 328 CH2 TRP A 22 -0.289 2.398 -1.783 1.00 0.00 C ATOM 0 H TRP A 22 4.141 2.354 -2.754 1.00 0.00 H new ATOM 0 HA TRP A 22 5.506 1.936 -5.383 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.475 2.929 -6.450 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.035 1.525 -5.498 1.00 0.00 H new ATOM 0 HD1 TRP A 22 2.845 5.346 -5.457 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.924 5.967 -3.878 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.111 0.882 -3.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.790 4.468 -1.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 0.415 0.386 -1.885 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -1.031 2.180 -1.029 1.00 0.00 H new ATOM 339 N ASP A 23 5.259 4.577 -5.929 1.00 0.00 N ATOM 340 CA ASP A 23 5.733 5.983 -6.100 1.00 0.00 C ATOM 341 C ASP A 23 4.890 6.705 -7.149 1.00 0.00 C ATOM 342 O ASP A 23 4.126 6.087 -7.860 1.00 0.00 O ATOM 343 CB ASP A 23 7.183 5.942 -6.606 1.00 0.00 C ATOM 344 CG ASP A 23 7.224 6.432 -8.056 1.00 0.00 C ATOM 345 OD1 ASP A 23 7.053 5.587 -8.920 1.00 0.00 O ATOM 346 OD2 ASP A 23 7.420 7.624 -8.216 1.00 0.00 O ATOM 0 H ASP A 23 4.881 4.154 -6.777 1.00 0.00 H new ATOM 0 HA ASP A 23 5.654 6.506 -5.147 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.817 6.569 -5.980 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.575 4.927 -6.541 1.00 0.00 H new ATOM 351 N ALA A 24 5.042 8.009 -7.227 1.00 0.00 N ATOM 352 CA ALA A 24 4.252 8.791 -8.232 1.00 0.00 C ATOM 353 C ALA A 24 4.658 10.285 -8.177 1.00 0.00 C ATOM 354 O ALA A 24 5.500 10.657 -7.385 1.00 0.00 O ATOM 355 CB ALA A 24 2.760 8.630 -7.879 1.00 0.00 C ATOM 0 H ALA A 24 5.673 8.559 -6.644 1.00 0.00 H new ATOM 0 HA ALA A 24 4.445 8.426 -9.241 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.155 9.189 -8.593 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.488 7.575 -7.920 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.581 9.012 -6.874 1.00 0.00 H new ATOM 361 N PRO A 25 4.049 11.130 -9.024 1.00 0.00 N ATOM 362 CA PRO A 25 4.384 12.558 -9.033 1.00 0.00 C ATOM 363 C PRO A 25 4.018 13.233 -7.715 1.00 0.00 C ATOM 364 O PRO A 25 3.283 12.690 -6.917 1.00 0.00 O ATOM 365 CB PRO A 25 3.547 13.156 -10.185 1.00 0.00 C ATOM 366 CG PRO A 25 2.835 11.967 -10.900 1.00 0.00 C ATOM 367 CD PRO A 25 3.018 10.733 -10.006 1.00 0.00 C ATOM 0 HA PRO A 25 5.455 12.711 -9.165 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.816 13.868 -9.801 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.185 13.699 -10.883 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.777 12.183 -11.047 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.266 11.796 -11.887 1.00 0.00 H new ATOM 0 HD2 PRO A 25 2.085 10.460 -9.512 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.337 9.867 -10.587 1.00 0.00 H new ATOM 375 N ALA A 26 4.544 14.413 -7.514 1.00 0.00 N ATOM 376 CA ALA A 26 4.245 15.144 -6.257 1.00 0.00 C ATOM 377 C ALA A 26 3.050 16.080 -6.422 1.00 0.00 C ATOM 378 O ALA A 26 3.077 17.202 -5.953 1.00 0.00 O ATOM 379 CB ALA A 26 5.478 15.984 -5.887 1.00 0.00 C ATOM 0 H ALA A 26 5.164 14.896 -8.164 1.00 0.00 H new ATOM 0 HA ALA A 26 4.005 14.418 -5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.282 16.531 -4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.336 15.327 -5.744 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.691 16.690 -6.690 1.00 0.00 H new ATOM 385 N VAL A 27 2.022 15.603 -7.083 1.00 0.00 N ATOM 386 CA VAL A 27 0.816 16.457 -7.284 1.00 0.00 C ATOM 387 C VAL A 27 -0.300 16.041 -6.339 1.00 0.00 C ATOM 388 O VAL A 27 -0.168 15.091 -5.593 1.00 0.00 O ATOM 389 CB VAL A 27 0.338 16.299 -8.749 1.00 0.00 C ATOM 390 CG1 VAL A 27 -0.087 14.846 -9.006 1.00 0.00 C ATOM 391 CG2 VAL A 27 -0.847 17.237 -9.023 1.00 0.00 C ATOM 0 H VAL A 27 1.969 14.668 -7.487 1.00 0.00 H new ATOM 0 HA VAL A 27 1.072 17.496 -7.077 1.00 0.00 H new ATOM 0 HB VAL A 27 1.160 16.559 -9.416 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.422 14.742 -10.038 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.760 14.183 -8.831 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.901 14.580 -8.332 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.175 17.117 -10.056 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.669 16.991 -8.351 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.540 18.270 -8.857 1.00 0.00 H new ATOM 401 N THR A 28 -1.374 16.760 -6.392 1.00 0.00 N ATOM 402 CA THR A 28 -2.520 16.434 -5.507 1.00 0.00 C ATOM 403 C THR A 28 -3.334 15.283 -6.078 1.00 0.00 C ATOM 404 O THR A 28 -4.072 15.455 -7.028 1.00 0.00 O ATOM 405 CB THR A 28 -3.418 17.670 -5.404 1.00 0.00 C ATOM 406 OG1 THR A 28 -3.207 18.388 -6.605 1.00 0.00 O ATOM 407 CG2 THR A 28 -2.924 18.612 -4.298 1.00 0.00 C ATOM 0 H THR A 28 -1.512 17.561 -7.009 1.00 0.00 H new ATOM 0 HA THR A 28 -2.142 16.142 -4.528 1.00 0.00 H new ATOM 0 HB THR A 28 -4.447 17.364 -5.214 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.759 19.198 -6.603 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.577 19.483 -4.243 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.936 18.089 -3.342 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.907 18.935 -4.522 1.00 0.00 H new ATOM 415 N VAL A 29 -3.187 14.129 -5.481 1.00 0.00 N ATOM 416 CA VAL A 29 -3.945 12.946 -5.972 1.00 0.00 C ATOM 417 C VAL A 29 -5.126 12.639 -5.064 1.00 0.00 C ATOM 418 O VAL A 29 -4.963 12.439 -3.878 1.00 0.00 O ATOM 419 CB VAL A 29 -3.007 11.730 -5.960 1.00 0.00 C ATOM 420 CG1 VAL A 29 -3.844 10.455 -6.108 1.00 0.00 C ATOM 421 CG2 VAL A 29 -2.027 11.831 -7.131 1.00 0.00 C ATOM 0 H VAL A 29 -2.579 13.957 -4.680 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.314 13.159 -6.975 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.450 11.702 -5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.187 9.585 -6.101 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.549 10.384 -5.280 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.393 10.487 -7.049 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.361 10.968 -7.123 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.582 11.853 -8.069 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.439 12.744 -7.036 1.00 0.00 H new ATOM 431 N ARG A 30 -6.299 12.608 -5.632 1.00 0.00 N ATOM 432 CA ARG A 30 -7.491 12.312 -4.804 1.00 0.00 C ATOM 433 C ARG A 30 -7.412 10.896 -4.273 1.00 0.00 C ATOM 434 O ARG A 30 -7.630 10.653 -3.103 1.00 0.00 O ATOM 435 CB ARG A 30 -8.742 12.440 -5.677 1.00 0.00 C ATOM 436 CG ARG A 30 -8.976 13.909 -5.991 1.00 0.00 C ATOM 437 CD ARG A 30 -9.898 14.504 -4.925 1.00 0.00 C ATOM 438 NE ARG A 30 -9.870 15.987 -5.034 1.00 0.00 N ATOM 439 CZ ARG A 30 -10.989 16.651 -4.989 1.00 0.00 C ATOM 440 NH1 ARG A 30 -11.626 16.736 -3.854 1.00 0.00 N ATOM 441 NH2 ARG A 30 -11.437 17.203 -6.081 1.00 0.00 N ATOM 0 H ARG A 30 -6.479 12.773 -6.622 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.534 13.011 -3.969 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.617 11.873 -6.599 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.606 12.023 -5.160 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.028 14.446 -6.011 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.424 14.016 -6.979 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.915 14.136 -5.059 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.575 14.193 -3.932 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.983 16.479 -5.143 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.246 16.286 -3.021 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.504 17.252 -3.799 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.913 17.111 -6.951 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.312 17.727 -6.066 1.00 0.00 H new ATOM 455 N TYR A 31 -7.101 9.981 -5.149 1.00 0.00 N ATOM 456 CA TYR A 31 -7.000 8.569 -4.715 1.00 0.00 C ATOM 457 C TYR A 31 -6.157 7.748 -5.688 1.00 0.00 C ATOM 458 O TYR A 31 -5.839 8.197 -6.778 1.00 0.00 O ATOM 459 CB TYR A 31 -8.411 7.967 -4.657 1.00 0.00 C ATOM 460 CG TYR A 31 -9.382 8.856 -5.431 1.00 0.00 C ATOM 461 CD1 TYR A 31 -9.168 9.129 -6.765 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.499 9.383 -4.811 1.00 0.00 C ATOM 463 CE1 TYR A 31 -10.056 9.913 -7.470 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.385 10.166 -5.516 1.00 0.00 C ATOM 465 CZ TYR A 31 -11.172 10.437 -6.851 1.00 0.00 C ATOM 466 OH TYR A 31 -12.066 11.214 -7.558 1.00 0.00 O ATOM 0 H TYR A 31 -6.915 10.152 -6.137 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.522 8.543 -3.736 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.406 6.963 -5.080 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.735 7.874 -3.620 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.298 8.726 -7.262 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.678 9.179 -3.766 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -9.877 10.119 -8.515 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.254 10.571 -5.019 1.00 0.00 H new ATOM 0 HH TYR A 31 -11.576 11.882 -8.081 1.00 0.00 H new ATOM 476 N TYR A 32 -5.819 6.553 -5.268 1.00 0.00 N ATOM 477 CA TYR A 32 -4.997 5.662 -6.129 1.00 0.00 C ATOM 478 C TYR A 32 -5.805 4.440 -6.557 1.00 0.00 C ATOM 479 O TYR A 32 -6.851 4.171 -6.012 1.00 0.00 O ATOM 480 CB TYR A 32 -3.799 5.166 -5.296 1.00 0.00 C ATOM 481 CG TYR A 32 -2.578 6.050 -5.544 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.554 7.349 -5.083 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.463 5.548 -6.194 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.437 8.132 -5.262 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.343 6.338 -6.372 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.331 7.640 -5.903 1.00 0.00 C ATOM 487 OH TYR A 32 0.767 8.440 -6.075 1.00 0.00 O ATOM 0 H TYR A 32 -6.080 6.160 -4.364 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.676 6.213 -7.013 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.055 5.177 -4.237 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.568 4.133 -5.558 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.418 7.755 -4.578 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.469 4.533 -6.564 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.432 9.147 -4.893 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.524 5.939 -6.878 1.00 0.00 H new ATOM 0 HH TYR A 32 0.821 9.084 -5.339 1.00 0.00 H new ATOM 497 N ARG A 33 -5.304 3.731 -7.535 1.00 0.00 N ATOM 498 CA ARG A 33 -6.025 2.516 -8.017 1.00 0.00 C ATOM 499 C ARG A 33 -5.019 1.435 -8.351 1.00 0.00 C ATOM 500 O ARG A 33 -4.416 1.451 -9.405 1.00 0.00 O ATOM 501 CB ARG A 33 -6.822 2.857 -9.288 1.00 0.00 C ATOM 502 CG ARG A 33 -8.314 2.756 -8.986 1.00 0.00 C ATOM 503 CD ARG A 33 -9.112 3.355 -10.143 1.00 0.00 C ATOM 504 NE ARG A 33 -10.559 3.081 -9.917 1.00 0.00 N ATOM 505 CZ ARG A 33 -11.375 3.057 -10.933 1.00 0.00 C ATOM 506 NH1 ARG A 33 -11.109 3.798 -11.972 1.00 0.00 N ATOM 507 NH2 ARG A 33 -12.428 2.288 -10.878 1.00 0.00 N ATOM 0 H ARG A 33 -4.431 3.940 -8.019 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.703 2.170 -7.237 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.575 3.863 -9.628 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.555 2.173 -10.094 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.596 1.714 -8.838 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.545 3.283 -8.060 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.936 4.429 -10.207 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.789 2.922 -11.089 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.909 2.913 -8.974 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.274 4.383 -11.980 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.736 3.792 -12.776 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.601 1.719 -10.049 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.078 2.256 -11.664 1.00 0.00 H new ATOM 521 N ILE A 34 -4.858 0.509 -7.448 1.00 0.00 N ATOM 522 CA ILE A 34 -3.892 -0.584 -7.691 1.00 0.00 C ATOM 523 C ILE A 34 -4.567 -1.850 -8.207 1.00 0.00 C ATOM 524 O ILE A 34 -5.556 -2.303 -7.664 1.00 0.00 O ATOM 525 CB ILE A 34 -3.204 -0.898 -6.364 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.591 0.378 -5.800 1.00 0.00 C ATOM 527 CG2 ILE A 34 -2.073 -1.919 -6.614 1.00 0.00 C ATOM 528 CD1 ILE A 34 -3.434 0.860 -4.621 1.00 0.00 C ATOM 0 H ILE A 34 -5.354 0.466 -6.558 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.184 -0.258 -8.453 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.932 -1.304 -5.661 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.566 0.192 -5.478 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.549 1.147 -6.571 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.576 -2.149 -5.672 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.494 -2.832 -7.035 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.350 -1.497 -7.312 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.000 1.773 -4.213 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.451 1.061 -4.959 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.453 0.091 -3.849 1.00 0.00 H new ATOM 540 N THR A 35 -4.006 -2.387 -9.260 1.00 0.00 N ATOM 541 CA THR A 35 -4.561 -3.627 -9.864 1.00 0.00 C ATOM 542 C THR A 35 -3.440 -4.647 -9.980 1.00 0.00 C ATOM 543 O THR A 35 -2.343 -4.301 -10.369 1.00 0.00 O ATOM 544 CB THR A 35 -5.089 -3.301 -11.270 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.016 -2.664 -11.933 1.00 0.00 O ATOM 546 CG2 THR A 35 -6.195 -2.237 -11.209 1.00 0.00 C ATOM 0 H THR A 35 -3.180 -2.013 -9.728 1.00 0.00 H new ATOM 0 HA THR A 35 -5.369 -4.022 -9.248 1.00 0.00 H new ATOM 0 HB THR A 35 -5.462 -4.209 -11.743 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.172 -3.089 -11.673 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.551 -2.024 -12.217 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.022 -2.606 -10.602 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.798 -1.324 -10.765 1.00 0.00 H new ATOM 554 N TYR A 36 -3.715 -5.887 -9.638 1.00 0.00 N ATOM 555 CA TYR A 36 -2.643 -6.902 -9.736 1.00 0.00 C ATOM 556 C TYR A 36 -3.179 -8.239 -10.210 1.00 0.00 C ATOM 557 O TYR A 36 -4.368 -8.512 -10.126 1.00 0.00 O ATOM 558 CB TYR A 36 -2.016 -7.074 -8.334 1.00 0.00 C ATOM 559 CG TYR A 36 -3.121 -7.345 -7.302 1.00 0.00 C ATOM 560 CD1 TYR A 36 -4.046 -6.369 -6.975 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.220 -8.580 -6.698 1.00 0.00 C ATOM 562 CE1 TYR A 36 -5.049 -6.632 -6.071 1.00 0.00 C ATOM 563 CE2 TYR A 36 -4.224 -8.834 -5.788 1.00 0.00 C ATOM 564 CZ TYR A 36 -5.146 -7.860 -5.471 1.00 0.00 C ATOM 565 OH TYR A 36 -6.159 -8.117 -4.572 1.00 0.00 O ATOM 0 H TYR A 36 -4.618 -6.224 -9.304 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.904 -6.565 -10.463 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.303 -7.898 -8.343 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.462 -6.176 -8.060 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.980 -5.393 -7.433 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.506 -9.354 -6.939 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.768 -5.862 -5.832 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.289 -9.805 -5.319 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.294 -7.334 -3.999 1.00 0.00 H new ATOM 575 N GLY A 37 -2.282 -9.045 -10.714 1.00 0.00 N ATOM 576 CA GLY A 37 -2.681 -10.383 -11.213 1.00 0.00 C ATOM 577 C GLY A 37 -1.589 -10.947 -12.123 1.00 0.00 C ATOM 578 O GLY A 37 -0.868 -10.204 -12.764 1.00 0.00 O ATOM 0 H GLY A 37 -1.289 -8.829 -10.800 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.851 -11.058 -10.374 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.621 -10.311 -11.760 1.00 0.00 H new ATOM 582 N GLU A 38 -1.472 -12.243 -12.150 1.00 0.00 N ATOM 583 CA GLU A 38 -0.446 -12.855 -13.000 1.00 0.00 C ATOM 584 C GLU A 38 -0.809 -12.698 -14.471 1.00 0.00 C ATOM 585 O GLU A 38 -1.962 -12.523 -14.810 1.00 0.00 O ATOM 586 CB GLU A 38 -0.389 -14.346 -12.658 1.00 0.00 C ATOM 587 CG GLU A 38 -1.597 -15.054 -13.279 1.00 0.00 C ATOM 588 CD GLU A 38 -1.979 -16.255 -12.413 1.00 0.00 C ATOM 589 OE1 GLU A 38 -2.164 -16.031 -11.229 1.00 0.00 O ATOM 590 OE2 GLU A 38 -2.065 -17.329 -12.986 1.00 0.00 O ATOM 0 H GLU A 38 -2.047 -12.895 -11.617 1.00 0.00 H new ATOM 0 HA GLU A 38 0.515 -12.371 -12.827 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.536 -14.782 -13.035 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.389 -14.483 -11.577 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.438 -14.364 -13.356 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.360 -15.382 -14.291 1.00 0.00 H new ATOM 597 N THR A 39 0.178 -12.762 -15.317 1.00 0.00 N ATOM 598 CA THR A 39 -0.103 -12.616 -16.762 1.00 0.00 C ATOM 599 C THR A 39 -0.770 -13.874 -17.307 1.00 0.00 C ATOM 600 O THR A 39 -0.555 -14.958 -16.803 1.00 0.00 O ATOM 601 CB THR A 39 1.226 -12.407 -17.491 1.00 0.00 C ATOM 602 OG1 THR A 39 1.689 -11.139 -17.067 1.00 0.00 O ATOM 603 CG2 THR A 39 0.998 -12.250 -19.000 1.00 0.00 C ATOM 0 H THR A 39 1.157 -12.908 -15.070 1.00 0.00 H new ATOM 0 HA THR A 39 -0.771 -11.769 -16.916 1.00 0.00 H new ATOM 0 HB THR A 39 1.895 -13.243 -17.290 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.546 -10.942 -17.500 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.956 -12.102 -19.499 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.519 -13.148 -19.391 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.357 -11.388 -19.183 1.00 0.00 H new ATOM 611 N GLY A 40 -1.572 -13.708 -18.324 1.00 0.00 N ATOM 612 CA GLY A 40 -2.260 -14.893 -18.910 1.00 0.00 C ATOM 613 C GLY A 40 -3.345 -14.452 -19.897 1.00 0.00 C ATOM 614 O GLY A 40 -3.103 -14.343 -21.081 1.00 0.00 O ATOM 0 H GLY A 40 -1.779 -12.814 -18.770 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.534 -15.527 -19.419 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.705 -15.492 -18.115 1.00 0.00 H new ATOM 618 N GLY A 41 -4.521 -14.207 -19.384 1.00 0.00 N ATOM 619 CA GLY A 41 -5.634 -13.773 -20.277 1.00 0.00 C ATOM 620 C GLY A 41 -6.976 -14.277 -19.741 1.00 0.00 C ATOM 621 O GLY A 41 -8.021 -13.953 -20.270 1.00 0.00 O ATOM 0 H GLY A 41 -4.758 -14.287 -18.395 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.649 -12.685 -20.348 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.471 -14.156 -21.284 1.00 0.00 H new ATOM 625 N ASN A 42 -6.918 -15.064 -18.701 1.00 0.00 N ATOM 626 CA ASN A 42 -8.174 -15.598 -18.118 1.00 0.00 C ATOM 627 C ASN A 42 -8.886 -14.529 -17.299 1.00 0.00 C ATOM 628 O ASN A 42 -10.027 -14.202 -17.556 1.00 0.00 O ATOM 629 CB ASN A 42 -7.816 -16.770 -17.192 1.00 0.00 C ATOM 630 CG ASN A 42 -9.093 -17.322 -16.557 1.00 0.00 C ATOM 631 OD1 ASN A 42 -10.040 -17.666 -17.237 1.00 0.00 O ATOM 632 ND2 ASN A 42 -9.160 -17.423 -15.259 1.00 0.00 N ATOM 0 H ASN A 42 -6.059 -15.357 -18.235 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.834 -15.920 -18.924 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.309 -17.553 -17.757 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.125 -16.438 -16.417 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.004 -17.789 -14.819 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.368 -17.136 -14.684 1.00 0.00 H new ATOM 639 N SER A 43 -8.198 -14.006 -16.322 1.00 0.00 N ATOM 640 CA SER A 43 -8.814 -12.959 -15.475 1.00 0.00 C ATOM 641 C SER A 43 -7.828 -12.520 -14.352 1.00 0.00 C ATOM 642 O SER A 43 -7.380 -13.354 -13.589 1.00 0.00 O ATOM 643 CB SER A 43 -10.061 -13.566 -14.809 1.00 0.00 C ATOM 644 OG SER A 43 -9.715 -14.927 -14.603 1.00 0.00 O ATOM 0 H SER A 43 -7.241 -14.260 -16.078 1.00 0.00 H new ATOM 0 HA SER A 43 -9.066 -12.094 -16.089 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.293 -13.067 -13.868 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.940 -13.470 -15.446 1.00 0.00 H new ATOM 0 HG SER A 43 -8.862 -14.979 -14.123 1.00 0.00 H new ATOM 650 N PRO A 44 -7.493 -11.214 -14.253 1.00 0.00 N ATOM 651 CA PRO A 44 -6.571 -10.762 -13.212 1.00 0.00 C ATOM 652 C PRO A 44 -7.105 -11.092 -11.821 1.00 0.00 C ATOM 653 O PRO A 44 -8.262 -11.430 -11.665 1.00 0.00 O ATOM 654 CB PRO A 44 -6.482 -9.231 -13.382 1.00 0.00 C ATOM 655 CG PRO A 44 -7.360 -8.847 -14.610 1.00 0.00 C ATOM 656 CD PRO A 44 -8.001 -10.141 -15.139 1.00 0.00 C ATOM 0 HA PRO A 44 -5.602 -11.252 -13.306 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -6.835 -8.724 -12.484 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.448 -8.921 -13.537 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.127 -8.128 -14.323 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.754 -8.375 -15.383 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.089 -10.084 -15.105 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.723 -10.323 -16.177 1.00 0.00 H new ATOM 664 N VAL A 45 -6.256 -10.984 -10.836 1.00 0.00 N ATOM 665 CA VAL A 45 -6.705 -11.287 -9.456 1.00 0.00 C ATOM 666 C VAL A 45 -7.786 -10.326 -9.012 1.00 0.00 C ATOM 667 O VAL A 45 -8.935 -10.693 -8.876 1.00 0.00 O ATOM 668 CB VAL A 45 -5.511 -11.139 -8.507 1.00 0.00 C ATOM 669 CG1 VAL A 45 -6.018 -11.158 -7.070 1.00 0.00 C ATOM 670 CG2 VAL A 45 -4.546 -12.301 -8.718 1.00 0.00 C ATOM 0 H VAL A 45 -5.280 -10.701 -10.929 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.103 -12.301 -9.436 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.995 -10.200 -8.707 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.176 -11.053 -6.386 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.713 -10.332 -6.919 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.528 -12.102 -6.876 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.697 -12.196 -8.043 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.058 -13.241 -8.513 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.193 -12.298 -9.749 1.00 0.00 H new ATOM 680 N GLN A 46 -7.397 -9.112 -8.789 1.00 0.00 N ATOM 681 CA GLN A 46 -8.392 -8.099 -8.348 1.00 0.00 C ATOM 682 C GLN A 46 -7.757 -6.713 -8.269 1.00 0.00 C ATOM 683 O GLN A 46 -6.675 -6.495 -8.778 1.00 0.00 O ATOM 684 CB GLN A 46 -8.913 -8.503 -6.951 1.00 0.00 C ATOM 685 CG GLN A 46 -10.432 -8.694 -7.015 1.00 0.00 C ATOM 686 CD GLN A 46 -11.100 -7.356 -7.340 1.00 0.00 C ATOM 687 OE1 GLN A 46 -11.235 -6.494 -6.492 1.00 0.00 O ATOM 688 NE2 GLN A 46 -11.531 -7.140 -8.552 1.00 0.00 N ATOM 0 H GLN A 46 -6.440 -8.773 -8.891 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.209 -8.061 -9.068 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.432 -9.425 -6.623 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.662 -7.735 -6.220 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.685 -9.433 -7.775 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.802 -9.076 -6.063 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.421 -7.858 -9.268 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.978 -6.253 -8.784 1.00 0.00 H new ATOM 697 N GLU A 47 -8.441 -5.799 -7.632 1.00 0.00 N ATOM 698 CA GLU A 47 -7.892 -4.423 -7.513 1.00 0.00 C ATOM 699 C GLU A 47 -8.589 -3.651 -6.398 1.00 0.00 C ATOM 700 O GLU A 47 -9.533 -4.131 -5.802 1.00 0.00 O ATOM 701 CB GLU A 47 -8.164 -3.692 -8.829 1.00 0.00 C ATOM 702 CG GLU A 47 -9.675 -3.565 -9.019 1.00 0.00 C ATOM 703 CD GLU A 47 -9.986 -3.387 -10.503 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.511 -2.399 -11.041 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.681 -4.247 -11.018 1.00 0.00 O ATOM 0 H GLU A 47 -9.350 -5.947 -7.193 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.827 -4.485 -7.291 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.701 -2.705 -8.815 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.724 -4.239 -9.663 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.177 -4.453 -8.635 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.054 -2.715 -8.452 1.00 0.00 H new ATOM 712 N PHE A 48 -8.108 -2.465 -6.131 1.00 0.00 N ATOM 713 CA PHE A 48 -8.738 -1.651 -5.064 1.00 0.00 C ATOM 714 C PHE A 48 -8.188 -0.229 -5.065 1.00 0.00 C ATOM 715 O PHE A 48 -7.081 0.014 -5.508 1.00 0.00 O ATOM 716 CB PHE A 48 -8.480 -2.286 -3.672 1.00 0.00 C ATOM 717 CG PHE A 48 -7.272 -3.237 -3.696 1.00 0.00 C ATOM 718 CD1 PHE A 48 -6.108 -2.900 -4.366 1.00 0.00 C ATOM 719 CD2 PHE A 48 -7.313 -4.428 -2.982 1.00 0.00 C ATOM 720 CE1 PHE A 48 -5.007 -3.733 -4.315 1.00 0.00 C ATOM 721 CE2 PHE A 48 -6.210 -5.254 -2.937 1.00 0.00 C ATOM 722 CZ PHE A 48 -5.060 -4.905 -3.602 1.00 0.00 C ATOM 0 H PHE A 48 -7.314 -2.033 -6.603 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.809 -1.622 -5.263 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.308 -1.498 -2.939 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -9.367 -2.832 -3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.061 -1.981 -4.931 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.215 -4.709 -2.459 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.102 -3.461 -4.838 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.250 -6.177 -2.378 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.197 -5.553 -3.564 1.00 0.00 H new ATOM 732 N THR A 49 -8.990 0.691 -4.581 1.00 0.00 N ATOM 733 CA THR A 49 -8.552 2.110 -4.535 1.00 0.00 C ATOM 734 C THR A 49 -8.383 2.567 -3.098 1.00 0.00 C ATOM 735 O THR A 49 -8.965 1.999 -2.194 1.00 0.00 O ATOM 736 CB THR A 49 -9.626 2.977 -5.202 1.00 0.00 C ATOM 737 OG1 THR A 49 -10.571 3.246 -4.187 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.408 2.178 -6.252 1.00 0.00 C ATOM 0 H THR A 49 -9.927 0.514 -4.218 1.00 0.00 H new ATOM 0 HA THR A 49 -7.598 2.205 -5.054 1.00 0.00 H new ATOM 0 HB THR A 49 -9.160 3.850 -5.659 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.291 3.803 -4.550 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.163 2.818 -6.709 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.723 1.819 -7.021 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.894 1.328 -5.774 1.00 0.00 H new ATOM 746 N VAL A 50 -7.593 3.587 -2.908 1.00 0.00 N ATOM 747 CA VAL A 50 -7.376 4.095 -1.529 1.00 0.00 C ATOM 748 C VAL A 50 -7.204 5.627 -1.539 1.00 0.00 C ATOM 749 O VAL A 50 -6.894 6.203 -2.563 1.00 0.00 O ATOM 750 CB VAL A 50 -6.083 3.449 -0.991 1.00 0.00 C ATOM 751 CG1 VAL A 50 -6.437 2.251 -0.108 1.00 0.00 C ATOM 752 CG2 VAL A 50 -5.244 2.959 -2.169 1.00 0.00 C ATOM 0 H VAL A 50 -7.093 4.086 -3.643 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.234 3.847 -0.904 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.526 4.183 -0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.522 1.796 0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.050 2.585 0.729 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.991 1.518 -0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.328 2.501 -1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.812 2.224 -2.739 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.993 3.802 -2.812 1.00 0.00 H new ATOM 762 N PRO A 51 -7.413 6.271 -0.384 1.00 0.00 N ATOM 763 CA PRO A 51 -7.274 7.729 -0.286 1.00 0.00 C ATOM 764 C PRO A 51 -5.829 8.192 -0.532 1.00 0.00 C ATOM 765 O PRO A 51 -5.445 9.262 -0.107 1.00 0.00 O ATOM 766 CB PRO A 51 -7.667 8.066 1.171 1.00 0.00 C ATOM 767 CG PRO A 51 -7.867 6.717 1.922 1.00 0.00 C ATOM 768 CD PRO A 51 -7.821 5.602 0.870 1.00 0.00 C ATOM 0 HA PRO A 51 -7.892 8.225 -1.034 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.890 8.661 1.651 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.582 8.658 1.195 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.087 6.573 2.669 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.820 6.708 2.451 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.111 4.824 1.151 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.793 5.122 0.762 1.00 0.00 H new ATOM 776 N GLY A 52 -5.058 7.386 -1.213 1.00 0.00 N ATOM 777 CA GLY A 52 -3.647 7.785 -1.481 1.00 0.00 C ATOM 778 C GLY A 52 -2.975 8.269 -0.192 1.00 0.00 C ATOM 779 O GLY A 52 -1.986 8.974 -0.231 1.00 0.00 O ATOM 0 H GLY A 52 -5.340 6.481 -1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.095 6.939 -1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.622 8.576 -2.231 1.00 0.00 H new ATOM 783 N SER A 53 -3.527 7.879 0.926 1.00 0.00 N ATOM 784 CA SER A 53 -2.932 8.307 2.217 1.00 0.00 C ATOM 785 C SER A 53 -1.730 7.436 2.571 1.00 0.00 C ATOM 786 O SER A 53 -0.692 7.935 2.961 1.00 0.00 O ATOM 787 CB SER A 53 -3.997 8.163 3.316 1.00 0.00 C ATOM 788 OG SER A 53 -4.176 9.488 3.799 1.00 0.00 O ATOM 0 H SER A 53 -4.356 7.289 0.998 1.00 0.00 H new ATOM 0 HA SER A 53 -2.600 9.342 2.133 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.926 7.754 2.920 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.665 7.491 4.108 1.00 0.00 H new ATOM 0 HG SER A 53 -4.849 9.488 4.511 1.00 0.00 H new ATOM 794 N LYS A 54 -1.889 6.146 2.430 1.00 0.00 N ATOM 795 CA LYS A 54 -0.765 5.232 2.754 1.00 0.00 C ATOM 796 C LYS A 54 0.092 4.986 1.513 1.00 0.00 C ATOM 797 O LYS A 54 -0.419 4.668 0.459 1.00 0.00 O ATOM 798 CB LYS A 54 -1.349 3.892 3.233 1.00 0.00 C ATOM 799 CG LYS A 54 -0.438 3.304 4.315 1.00 0.00 C ATOM 800 CD LYS A 54 -0.809 3.911 5.673 1.00 0.00 C ATOM 801 CE LYS A 54 0.413 3.859 6.595 1.00 0.00 C ATOM 802 NZ LYS A 54 0.027 4.193 7.995 1.00 0.00 N ATOM 0 H LYS A 54 -2.744 5.693 2.107 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.144 5.681 3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.354 4.040 3.628 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.434 3.199 2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.545 2.220 4.347 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.606 3.515 4.082 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.141 4.941 5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.639 3.361 6.117 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.858 2.865 6.562 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.171 4.559 6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.868 4.153 8.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.377 5.151 8.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.679 3.509 8.333 1.00 0.00 H new ATOM 816 N SER A 55 1.382 5.141 1.660 1.00 0.00 N ATOM 817 CA SER A 55 2.281 4.921 0.494 1.00 0.00 C ATOM 818 C SER A 55 2.574 3.436 0.281 1.00 0.00 C ATOM 819 O SER A 55 3.227 3.065 -0.684 1.00 0.00 O ATOM 820 CB SER A 55 3.608 5.648 0.769 1.00 0.00 C ATOM 821 OG SER A 55 3.216 6.967 1.117 1.00 0.00 O ATOM 0 H SER A 55 1.846 5.408 2.528 1.00 0.00 H new ATOM 0 HA SER A 55 1.791 5.303 -0.401 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.163 5.171 1.577 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.254 5.643 -0.109 1.00 0.00 H new ATOM 0 HG SER A 55 4.012 7.504 1.312 1.00 0.00 H new ATOM 827 N THR A 56 2.085 2.615 1.179 1.00 0.00 N ATOM 828 CA THR A 56 2.323 1.149 1.048 1.00 0.00 C ATOM 829 C THR A 56 1.038 0.360 1.272 1.00 0.00 C ATOM 830 O THR A 56 0.081 0.871 1.822 1.00 0.00 O ATOM 831 CB THR A 56 3.346 0.731 2.111 1.00 0.00 C ATOM 832 OG1 THR A 56 3.050 1.520 3.246 1.00 0.00 O ATOM 833 CG2 THR A 56 4.766 1.153 1.705 1.00 0.00 C ATOM 0 H THR A 56 1.535 2.897 1.991 1.00 0.00 H new ATOM 0 HA THR A 56 2.687 0.940 0.042 1.00 0.00 H new ATOM 0 HB THR A 56 3.299 -0.347 2.262 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.673 1.299 3.970 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.472 0.844 2.476 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.031 0.678 0.760 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.805 2.236 1.590 1.00 0.00 H new ATOM 841 N ALA A 57 1.042 -0.876 0.837 1.00 0.00 N ATOM 842 CA ALA A 57 -0.169 -1.729 1.011 1.00 0.00 C ATOM 843 C ALA A 57 0.226 -3.144 1.420 1.00 0.00 C ATOM 844 O ALA A 57 1.391 -3.484 1.417 1.00 0.00 O ATOM 845 CB ALA A 57 -0.911 -1.796 -0.331 1.00 0.00 C ATOM 0 H ALA A 57 1.829 -1.328 0.371 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.801 -1.299 1.788 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.801 -2.416 -0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.203 -0.791 -0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.256 -2.228 -1.088 1.00 0.00 H new ATOM 851 N THR A 58 -0.751 -3.946 1.766 1.00 0.00 N ATOM 852 CA THR A 58 -0.433 -5.340 2.175 1.00 0.00 C ATOM 853 C THR A 58 -1.510 -6.320 1.718 1.00 0.00 C ATOM 854 O THR A 58 -2.650 -6.234 2.132 1.00 0.00 O ATOM 855 CB THR A 58 -0.346 -5.388 3.705 1.00 0.00 C ATOM 856 OG1 THR A 58 0.738 -4.547 4.042 1.00 0.00 O ATOM 857 CG2 THR A 58 0.085 -6.783 4.183 1.00 0.00 C ATOM 0 H THR A 58 -1.740 -3.697 1.782 1.00 0.00 H new ATOM 0 HA THR A 58 0.511 -5.629 1.712 1.00 0.00 H new ATOM 0 HB THR A 58 -1.307 -5.115 4.140 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.849 -4.531 5.016 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.140 -6.794 5.272 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.643 -7.523 3.849 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.064 -7.024 3.768 1.00 0.00 H new ATOM 865 N ILE A 59 -1.114 -7.236 0.866 1.00 0.00 N ATOM 866 CA ILE A 59 -2.077 -8.249 0.351 1.00 0.00 C ATOM 867 C ILE A 59 -1.717 -9.620 0.902 1.00 0.00 C ATOM 868 O ILE A 59 -0.569 -9.891 1.163 1.00 0.00 O ATOM 869 CB ILE A 59 -1.968 -8.298 -1.181 1.00 0.00 C ATOM 870 CG1 ILE A 59 -1.897 -6.885 -1.751 1.00 0.00 C ATOM 871 CG2 ILE A 59 -3.224 -8.995 -1.743 1.00 0.00 C ATOM 872 CD1 ILE A 59 -1.768 -6.963 -3.275 1.00 0.00 C ATOM 0 H ILE A 59 -0.163 -7.322 0.507 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.088 -7.981 0.657 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.066 -8.843 -1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.791 -6.324 -1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.045 -6.352 -1.329 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.161 -9.037 -2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.288 -10.007 -1.344 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.112 -8.434 -1.453 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.717 -5.956 -3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.861 -7.509 -3.536 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.634 -7.481 -3.687 1.00 0.00 H new ATOM 884 N SER A 60 -2.702 -10.455 1.072 1.00 0.00 N ATOM 885 CA SER A 60 -2.425 -11.819 1.609 1.00 0.00 C ATOM 886 C SER A 60 -3.213 -12.872 0.842 1.00 0.00 C ATOM 887 O SER A 60 -3.013 -14.056 1.023 1.00 0.00 O ATOM 888 CB SER A 60 -2.853 -11.855 3.085 1.00 0.00 C ATOM 889 OG SER A 60 -1.724 -11.354 3.784 1.00 0.00 O ATOM 0 H SER A 60 -3.681 -10.256 0.865 1.00 0.00 H new ATOM 0 HA SER A 60 -1.362 -12.035 1.505 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.735 -11.239 3.259 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.102 -12.867 3.403 1.00 0.00 H new ATOM 0 HG SER A 60 -1.336 -12.067 4.332 1.00 0.00 H new ATOM 895 N GLY A 61 -4.091 -12.419 -0.006 1.00 0.00 N ATOM 896 CA GLY A 61 -4.907 -13.381 -0.800 1.00 0.00 C ATOM 897 C GLY A 61 -4.269 -13.618 -2.171 1.00 0.00 C ATOM 898 O GLY A 61 -4.920 -13.489 -3.189 1.00 0.00 O ATOM 0 H GLY A 61 -4.279 -11.433 -0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.991 -14.326 -0.263 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.918 -12.994 -0.925 1.00 0.00 H new ATOM 902 N LEU A 62 -3.001 -13.959 -2.164 1.00 0.00 N ATOM 903 CA LEU A 62 -2.287 -14.212 -3.453 1.00 0.00 C ATOM 904 C LEU A 62 -1.533 -15.542 -3.410 1.00 0.00 C ATOM 905 O LEU A 62 -1.665 -16.298 -2.468 1.00 0.00 O ATOM 906 CB LEU A 62 -1.280 -13.065 -3.699 1.00 0.00 C ATOM 907 CG LEU A 62 -0.732 -12.545 -2.364 1.00 0.00 C ATOM 908 CD1 LEU A 62 -0.038 -13.683 -1.616 1.00 0.00 C ATOM 909 CD2 LEU A 62 0.288 -11.452 -2.643 1.00 0.00 C ATOM 0 H LEU A 62 -2.433 -14.072 -1.324 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.021 -14.258 -4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.460 -13.419 -4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.767 -12.254 -4.241 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.552 -12.155 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.351 -13.311 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.753 -14.483 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.784 -14.067 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.684 -11.075 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.103 -11.859 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.191 -10.638 -3.187 1.00 0.00 H new ATOM 921 N LYS A 63 -0.753 -15.798 -4.438 1.00 0.00 N ATOM 922 CA LYS A 63 0.024 -17.072 -4.490 1.00 0.00 C ATOM 923 C LYS A 63 1.511 -16.801 -4.861 1.00 0.00 C ATOM 924 O LYS A 63 1.813 -16.576 -6.015 1.00 0.00 O ATOM 925 CB LYS A 63 -0.589 -17.940 -5.604 1.00 0.00 C ATOM 926 CG LYS A 63 -1.820 -18.673 -5.058 1.00 0.00 C ATOM 927 CD LYS A 63 -1.414 -20.086 -4.632 1.00 0.00 C ATOM 928 CE LYS A 63 -2.498 -20.666 -3.719 1.00 0.00 C ATOM 929 NZ LYS A 63 -2.200 -22.090 -3.395 1.00 0.00 N ATOM 0 H LYS A 63 -0.624 -15.179 -5.238 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.015 -17.559 -3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.870 -17.317 -6.453 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.146 -18.659 -5.966 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.236 -18.129 -4.210 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.599 -18.719 -5.819 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.283 -20.720 -5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.457 -20.061 -4.111 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.558 -20.083 -2.800 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.470 -20.594 -4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.945 -22.468 -2.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.165 -22.646 -4.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.282 -22.151 -2.910 1.00 0.00 H new ATOM 943 N PRO A 64 2.427 -16.822 -3.876 1.00 0.00 N ATOM 944 CA PRO A 64 3.842 -16.574 -4.166 1.00 0.00 C ATOM 945 C PRO A 64 4.450 -17.714 -4.988 1.00 0.00 C ATOM 946 O PRO A 64 4.105 -18.865 -4.801 1.00 0.00 O ATOM 947 CB PRO A 64 4.529 -16.513 -2.782 1.00 0.00 C ATOM 948 CG PRO A 64 3.442 -16.815 -1.707 1.00 0.00 C ATOM 949 CD PRO A 64 2.122 -17.072 -2.452 1.00 0.00 C ATOM 0 HA PRO A 64 3.972 -15.661 -4.747 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.339 -17.240 -2.723 1.00 0.00 H new ATOM 0 HB3 PRO A 64 4.970 -15.530 -2.616 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.722 -17.683 -1.111 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.338 -15.976 -1.019 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.775 -18.093 -2.297 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.333 -16.409 -2.096 1.00 0.00 H new ATOM 957 N GLY A 65 5.346 -17.366 -5.882 1.00 0.00 N ATOM 958 CA GLY A 65 5.995 -18.414 -6.733 1.00 0.00 C ATOM 959 C GLY A 65 5.508 -18.312 -8.182 1.00 0.00 C ATOM 960 O GLY A 65 5.295 -19.313 -8.837 1.00 0.00 O ATOM 0 H GLY A 65 5.654 -16.410 -6.058 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.078 -18.298 -6.699 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.768 -19.404 -6.336 1.00 0.00 H new ATOM 964 N VAL A 66 5.336 -17.103 -8.655 1.00 0.00 N ATOM 965 CA VAL A 66 4.868 -16.935 -10.048 1.00 0.00 C ATOM 966 C VAL A 66 4.982 -15.480 -10.510 1.00 0.00 C ATOM 967 O VAL A 66 5.182 -14.579 -9.712 1.00 0.00 O ATOM 968 CB VAL A 66 3.391 -17.357 -10.088 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.601 -16.565 -9.033 1.00 0.00 C ATOM 970 CG2 VAL A 66 2.812 -17.081 -11.483 1.00 0.00 C ATOM 0 H VAL A 66 5.499 -16.239 -8.137 1.00 0.00 H new ATOM 0 HA VAL A 66 5.484 -17.542 -10.711 1.00 0.00 H new ATOM 0 HB VAL A 66 3.314 -18.423 -9.872 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.553 -16.865 -9.062 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.010 -16.769 -8.043 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.679 -15.499 -9.245 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.765 -17.381 -11.508 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.890 -16.017 -11.705 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.370 -17.649 -12.227 1.00 0.00 H new ATOM 980 N ASP A 67 4.870 -15.286 -11.797 1.00 0.00 N ATOM 981 CA ASP A 67 4.962 -13.916 -12.339 1.00 0.00 C ATOM 982 C ASP A 67 3.860 -13.056 -11.745 1.00 0.00 C ATOM 983 O ASP A 67 2.774 -13.540 -11.486 1.00 0.00 O ATOM 984 CB ASP A 67 4.775 -13.985 -13.863 1.00 0.00 C ATOM 985 CG ASP A 67 5.488 -12.799 -14.513 1.00 0.00 C ATOM 986 OD1 ASP A 67 5.006 -11.697 -14.305 1.00 0.00 O ATOM 987 OD2 ASP A 67 6.474 -13.061 -15.181 1.00 0.00 O ATOM 0 H ASP A 67 4.719 -16.021 -12.488 1.00 0.00 H new ATOM 0 HA ASP A 67 5.931 -13.483 -12.090 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.177 -14.922 -14.248 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.714 -13.967 -14.112 1.00 0.00 H new ATOM 992 N TYR A 68 4.145 -11.800 -11.535 1.00 0.00 N ATOM 993 CA TYR A 68 3.115 -10.917 -10.958 1.00 0.00 C ATOM 994 C TYR A 68 3.213 -9.505 -11.522 1.00 0.00 C ATOM 995 O TYR A 68 4.218 -8.837 -11.364 1.00 0.00 O ATOM 996 CB TYR A 68 3.354 -10.867 -9.453 1.00 0.00 C ATOM 997 CG TYR A 68 2.212 -11.590 -8.736 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.930 -11.086 -8.780 1.00 0.00 C ATOM 999 CD2 TYR A 68 2.449 -12.761 -8.042 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.102 -11.742 -8.142 1.00 0.00 C ATOM 1001 CE2 TYR A 68 1.417 -13.417 -7.404 1.00 0.00 C ATOM 1002 CZ TYR A 68 0.132 -12.911 -7.449 1.00 0.00 C ATOM 1003 OH TYR A 68 -0.901 -13.566 -6.809 1.00 0.00 O ATOM 0 H TYR A 68 5.041 -11.358 -11.739 1.00 0.00 H new ATOM 0 HA TYR A 68 2.126 -11.305 -11.201 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.307 -11.336 -9.209 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.413 -9.832 -9.117 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.732 -10.171 -9.318 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.449 -13.166 -7.999 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.102 -11.337 -8.186 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.615 -14.332 -6.866 1.00 0.00 H new ATOM 0 HH TYR A 68 -0.995 -14.469 -7.179 1.00 0.00 H new ATOM 1013 N THR A 69 2.159 -9.073 -12.169 1.00 0.00 N ATOM 1014 CA THR A 69 2.159 -7.709 -12.754 1.00 0.00 C ATOM 1015 C THR A 69 1.290 -6.771 -11.925 1.00 0.00 C ATOM 1016 O THR A 69 0.206 -7.139 -11.506 1.00 0.00 O ATOM 1017 CB THR A 69 1.584 -7.797 -14.169 1.00 0.00 C ATOM 1018 OG1 THR A 69 2.040 -9.035 -14.677 1.00 0.00 O ATOM 1019 CG2 THR A 69 2.224 -6.745 -15.086 1.00 0.00 C ATOM 0 H THR A 69 1.303 -9.609 -12.314 1.00 0.00 H new ATOM 0 HA THR A 69 3.177 -7.320 -12.768 1.00 0.00 H new ATOM 0 HB THR A 69 0.502 -7.668 -14.138 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.704 -9.158 -15.589 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.799 -6.827 -16.086 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.028 -5.749 -14.689 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.300 -6.911 -15.134 1.00 0.00 H new ATOM 1027 N ILE A 70 1.787 -5.575 -11.696 1.00 0.00 N ATOM 1028 CA ILE A 70 1.003 -4.592 -10.893 1.00 0.00 C ATOM 1029 C ILE A 70 1.009 -3.225 -11.555 1.00 0.00 C ATOM 1030 O ILE A 70 1.897 -2.899 -12.325 1.00 0.00 O ATOM 1031 CB ILE A 70 1.630 -4.482 -9.487 1.00 0.00 C ATOM 1032 CG1 ILE A 70 1.155 -3.188 -8.792 1.00 0.00 C ATOM 1033 CG2 ILE A 70 3.162 -4.425 -9.629 1.00 0.00 C ATOM 1034 CD1 ILE A 70 1.524 -3.216 -7.298 1.00 0.00 C ATOM 0 H ILE A 70 2.693 -5.244 -12.029 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.029 -4.936 -10.823 1.00 0.00 H new ATOM 0 HB ILE A 70 1.328 -5.345 -8.893 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.612 -2.322 -9.270 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.076 -3.082 -8.905 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.616 -4.347 -8.641 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.516 -5.331 -10.121 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.440 -3.556 -10.226 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.183 -2.297 -6.822 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.046 -4.071 -6.821 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.606 -3.299 -7.192 1.00 0.00 H new ATOM 1046 N THR A 71 0.016 -2.445 -11.236 1.00 0.00 N ATOM 1047 CA THR A 71 -0.070 -1.093 -11.827 1.00 0.00 C ATOM 1048 C THR A 71 -0.717 -0.124 -10.852 1.00 0.00 C ATOM 1049 O THR A 71 -1.683 -0.460 -10.206 1.00 0.00 O ATOM 1050 CB THR A 71 -0.943 -1.183 -13.087 1.00 0.00 C ATOM 1051 OG1 THR A 71 -0.210 -1.980 -13.993 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.063 0.185 -13.781 1.00 0.00 C ATOM 0 H THR A 71 -0.736 -2.689 -10.592 1.00 0.00 H new ATOM 0 HA THR A 71 0.932 -0.734 -12.063 1.00 0.00 H new ATOM 0 HB THR A 71 -1.931 -1.558 -12.821 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.717 -2.079 -14.826 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.687 0.089 -14.670 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.515 0.902 -13.096 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.072 0.535 -14.070 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.167 1.068 -10.772 1.00 0.00 N ATOM 1061 CA VAL A 72 -0.744 2.087 -9.837 1.00 0.00 C ATOM 1062 C VAL A 72 -1.314 3.245 -10.641 1.00 0.00 C ATOM 1063 O VAL A 72 -0.653 3.786 -11.516 1.00 0.00 O ATOM 1064 CB VAL A 72 0.366 2.595 -8.885 1.00 0.00 C ATOM 1065 CG1 VAL A 72 1.214 1.408 -8.434 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.255 3.598 -9.610 1.00 0.00 C ATOM 0 H VAL A 72 0.646 1.375 -11.307 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.542 1.637 -9.247 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.091 3.080 -8.023 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.999 1.756 -7.763 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.584 0.688 -7.913 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.666 0.932 -9.304 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.033 3.950 -8.933 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.715 3.118 -10.474 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.653 4.444 -9.943 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.541 3.599 -10.334 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.196 4.719 -11.065 1.00 0.00 C ATOM 1078 C TYR A 73 -3.407 5.942 -10.192 1.00 0.00 C ATOM 1079 O TYR A 73 -4.166 5.908 -9.251 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.574 4.229 -11.516 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.589 4.023 -13.027 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -3.910 2.970 -13.594 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -5.305 4.874 -13.840 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -3.945 2.765 -14.954 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -5.342 4.671 -15.202 1.00 0.00 C ATOM 1086 CZ TYR A 73 -4.658 3.612 -15.771 1.00 0.00 C ATOM 1087 OH TYR A 73 -4.686 3.407 -17.136 1.00 0.00 O ATOM 0 H TYR A 73 -3.111 3.159 -9.611 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.551 5.006 -11.895 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.819 3.294 -11.011 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.337 4.954 -11.233 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.344 2.298 -12.966 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.841 5.706 -13.407 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.408 1.932 -15.384 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.909 5.343 -15.829 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.238 4.098 -17.559 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.739 7.008 -10.531 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.892 8.249 -9.733 1.00 0.00 C ATOM 1099 C ALA A 74 -3.961 9.125 -10.371 1.00 0.00 C ATOM 1100 O ALA A 74 -3.681 9.862 -11.295 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.556 9.007 -9.746 1.00 0.00 C ATOM 0 H ALA A 74 -2.098 7.071 -11.322 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.179 8.003 -8.711 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.652 9.923 -9.163 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.778 8.380 -9.311 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.289 9.257 -10.773 1.00 0.00 H new ATOM 1107 N VAL A 75 -5.173 9.031 -9.865 1.00 0.00 N ATOM 1108 CA VAL A 75 -6.277 9.856 -10.441 1.00 0.00 C ATOM 1109 C VAL A 75 -6.685 10.997 -9.516 1.00 0.00 C ATOM 1110 O VAL A 75 -6.650 10.869 -8.305 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.494 8.939 -10.653 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.102 9.216 -12.030 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -7.039 7.479 -10.590 1.00 0.00 C ATOM 0 H VAL A 75 -5.438 8.425 -9.088 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.927 10.294 -11.376 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.237 9.129 -9.878 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.965 8.568 -12.184 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.416 10.258 -12.086 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.358 9.019 -12.802 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.897 6.824 -10.740 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.301 7.294 -11.370 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.595 7.278 -9.615 1.00 0.00 H new ATOM 1123 N THR A 76 -7.071 12.098 -10.123 1.00 0.00 N ATOM 1124 CA THR A 76 -7.496 13.287 -9.333 1.00 0.00 C ATOM 1125 C THR A 76 -8.920 13.686 -9.709 1.00 0.00 C ATOM 1126 O THR A 76 -9.877 13.198 -9.142 1.00 0.00 O ATOM 1127 CB THR A 76 -6.540 14.449 -9.657 1.00 0.00 C ATOM 1128 OG1 THR A 76 -7.277 15.630 -9.413 1.00 0.00 O ATOM 1129 CG2 THR A 76 -6.214 14.493 -11.162 1.00 0.00 C ATOM 0 H THR A 76 -7.108 12.218 -11.135 1.00 0.00 H new ATOM 0 HA THR A 76 -7.467 13.052 -8.269 1.00 0.00 H new ATOM 0 HB THR A 76 -5.625 14.342 -9.074 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.716 16.411 -9.602 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.537 15.323 -11.364 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.740 13.558 -11.459 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.134 14.629 -11.730 1.00 0.00 H new ATOM 1137 N GLY A 77 -9.031 14.568 -10.656 1.00 0.00 N ATOM 1138 CA GLY A 77 -10.386 15.019 -11.095 1.00 0.00 C ATOM 1139 C GLY A 77 -11.235 15.439 -9.895 1.00 0.00 C ATOM 1140 O GLY A 77 -10.730 15.601 -8.801 1.00 0.00 O ATOM 0 H GLY A 77 -8.248 14.999 -11.147 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.289 15.855 -11.788 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.885 14.214 -11.635 1.00 0.00 H new ATOM 1144 N ARG A 78 -12.517 15.603 -10.134 1.00 0.00 N ATOM 1145 CA ARG A 78 -13.431 16.011 -9.033 1.00 0.00 C ATOM 1146 C ARG A 78 -14.322 14.851 -8.595 1.00 0.00 C ATOM 1147 O ARG A 78 -15.139 14.998 -7.706 1.00 0.00 O ATOM 1148 CB ARG A 78 -14.317 17.155 -9.546 1.00 0.00 C ATOM 1149 CG ARG A 78 -13.976 18.432 -8.774 1.00 0.00 C ATOM 1150 CD ARG A 78 -14.796 19.596 -9.329 1.00 0.00 C ATOM 1151 NE ARG A 78 -15.702 20.102 -8.261 1.00 0.00 N ATOM 1152 CZ ARG A 78 -16.986 20.145 -8.479 1.00 0.00 C ATOM 1153 NH1 ARG A 78 -17.490 21.186 -9.082 1.00 0.00 N ATOM 1154 NH2 ARG A 78 -17.726 19.145 -8.084 1.00 0.00 N ATOM 0 H ARG A 78 -12.962 15.471 -11.042 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.836 16.325 -8.176 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -14.157 17.306 -10.614 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -15.370 16.905 -9.414 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -14.188 18.296 -7.714 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.911 18.649 -8.861 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -14.135 20.393 -9.671 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -15.376 19.270 -10.192 1.00 0.00 H new ATOM 0 HE ARG A 78 -15.321 20.412 -7.367 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.881 21.950 -9.375 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -18.493 21.236 -9.261 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -17.297 18.348 -7.614 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -18.733 19.161 -8.246 1.00 0.00 H new ATOM 1168 N GLY A 79 -14.152 13.716 -9.233 1.00 0.00 N ATOM 1169 CA GLY A 79 -14.984 12.526 -8.863 1.00 0.00 C ATOM 1170 C GLY A 79 -16.068 12.255 -9.917 1.00 0.00 C ATOM 1171 O GLY A 79 -16.849 11.334 -9.771 1.00 0.00 O ATOM 0 H GLY A 79 -13.481 13.563 -9.986 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -14.344 11.649 -8.762 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.451 12.693 -7.892 1.00 0.00 H new ATOM 1175 N ASP A 80 -16.091 13.061 -10.951 1.00 0.00 N ATOM 1176 CA ASP A 80 -17.115 12.863 -12.021 1.00 0.00 C ATOM 1177 C ASP A 80 -16.462 12.848 -13.395 1.00 0.00 C ATOM 1178 O ASP A 80 -17.067 12.431 -14.365 1.00 0.00 O ATOM 1179 CB ASP A 80 -18.112 14.029 -11.962 1.00 0.00 C ATOM 1180 CG ASP A 80 -19.451 13.576 -12.548 1.00 0.00 C ATOM 1181 OD1 ASP A 80 -19.490 13.429 -13.757 1.00 0.00 O ATOM 1182 OD2 ASP A 80 -20.360 13.405 -11.751 1.00 0.00 O ATOM 0 H ASP A 80 -15.450 13.841 -11.099 1.00 0.00 H new ATOM 0 HA ASP A 80 -17.618 11.909 -11.860 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -18.245 14.358 -10.931 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -17.726 14.882 -12.521 1.00 0.00 H new ATOM 1187 N SER A 81 -15.237 13.307 -13.450 1.00 0.00 N ATOM 1188 CA SER A 81 -14.510 13.334 -14.741 1.00 0.00 C ATOM 1189 C SER A 81 -13.099 12.711 -14.584 1.00 0.00 C ATOM 1190 O SER A 81 -12.103 13.407 -14.537 1.00 0.00 O ATOM 1191 CB SER A 81 -14.387 14.815 -15.169 1.00 0.00 C ATOM 1192 OG SER A 81 -15.150 14.891 -16.366 1.00 0.00 O ATOM 0 H SER A 81 -14.714 13.664 -12.650 1.00 0.00 H new ATOM 0 HA SER A 81 -15.048 12.754 -15.491 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.777 15.486 -14.403 1.00 0.00 H new ATOM 0 HB3 SER A 81 -13.348 15.096 -15.339 1.00 0.00 H new ATOM 0 HG SER A 81 -15.128 15.808 -16.710 1.00 0.00 H new ATOM 1198 N PRO A 82 -13.044 11.387 -14.482 1.00 0.00 N ATOM 1199 CA PRO A 82 -11.769 10.693 -14.330 1.00 0.00 C ATOM 1200 C PRO A 82 -10.882 10.887 -15.555 1.00 0.00 C ATOM 1201 O PRO A 82 -11.187 10.404 -16.626 1.00 0.00 O ATOM 1202 CB PRO A 82 -12.140 9.200 -14.183 1.00 0.00 C ATOM 1203 CG PRO A 82 -13.694 9.099 -14.239 1.00 0.00 C ATOM 1204 CD PRO A 82 -14.234 10.516 -14.494 1.00 0.00 C ATOM 0 HA PRO A 82 -11.210 11.075 -13.476 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -11.688 8.612 -14.982 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.763 8.802 -13.241 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -14.007 8.420 -15.032 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -14.087 8.700 -13.304 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -14.755 10.573 -15.450 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -14.947 10.811 -13.724 1.00 0.00 H new ATOM 1212 N ALA A 83 -9.794 11.596 -15.365 1.00 0.00 N ATOM 1213 CA ALA A 83 -8.858 11.844 -16.495 1.00 0.00 C ATOM 1214 C ALA A 83 -7.539 11.120 -16.267 1.00 0.00 C ATOM 1215 O ALA A 83 -6.855 11.364 -15.294 1.00 0.00 O ATOM 1216 CB ALA A 83 -8.581 13.354 -16.568 1.00 0.00 C ATOM 0 H ALA A 83 -9.519 12.011 -14.475 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.306 11.479 -17.419 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.896 13.559 -17.391 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.517 13.888 -16.733 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.134 13.688 -15.632 1.00 0.00 H new ATOM 1222 N SER A 84 -7.203 10.240 -17.167 1.00 0.00 N ATOM 1223 CA SER A 84 -5.934 9.494 -17.015 1.00 0.00 C ATOM 1224 C SER A 84 -4.751 10.450 -16.930 1.00 0.00 C ATOM 1225 O SER A 84 -4.311 10.988 -17.926 1.00 0.00 O ATOM 1226 CB SER A 84 -5.751 8.591 -18.242 1.00 0.00 C ATOM 1227 OG SER A 84 -6.874 7.722 -18.205 1.00 0.00 O ATOM 0 H SER A 84 -7.752 10.009 -17.995 1.00 0.00 H new ATOM 0 HA SER A 84 -5.975 8.906 -16.098 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.727 9.172 -19.164 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.815 8.035 -18.191 1.00 0.00 H new ATOM 0 HG SER A 84 -6.835 7.105 -18.965 1.00 0.00 H new ATOM 1233 N SER A 85 -4.254 10.644 -15.738 1.00 0.00 N ATOM 1234 CA SER A 85 -3.102 11.561 -15.572 1.00 0.00 C ATOM 1235 C SER A 85 -1.825 10.908 -16.064 1.00 0.00 C ATOM 1236 O SER A 85 -1.502 10.971 -17.234 1.00 0.00 O ATOM 1237 CB SER A 85 -2.947 11.884 -14.080 1.00 0.00 C ATOM 1238 OG SER A 85 -4.045 12.737 -13.794 1.00 0.00 O ATOM 0 H SER A 85 -4.596 10.209 -14.881 1.00 0.00 H new ATOM 0 HA SER A 85 -3.281 12.467 -16.151 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.976 10.980 -13.472 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.996 12.376 -13.875 1.00 0.00 H new ATOM 0 HG SER A 85 -4.023 12.993 -12.848 1.00 0.00 H new ATOM 1244 N LYS A 86 -1.123 10.290 -15.159 1.00 0.00 N ATOM 1245 CA LYS A 86 0.144 9.619 -15.545 1.00 0.00 C ATOM 1246 C LYS A 86 0.310 8.278 -14.823 1.00 0.00 C ATOM 1247 O LYS A 86 1.183 8.121 -13.992 1.00 0.00 O ATOM 1248 CB LYS A 86 1.308 10.537 -15.144 1.00 0.00 C ATOM 1249 CG LYS A 86 1.082 11.923 -15.752 1.00 0.00 C ATOM 1250 CD LYS A 86 2.308 12.797 -15.486 1.00 0.00 C ATOM 1251 CE LYS A 86 2.216 14.060 -16.343 1.00 0.00 C ATOM 1252 NZ LYS A 86 3.176 13.988 -17.482 1.00 0.00 N ATOM 0 H LYS A 86 -1.371 10.221 -14.172 1.00 0.00 H new ATOM 0 HA LYS A 86 0.130 9.430 -16.618 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.374 10.608 -14.058 1.00 0.00 H new ATOM 0 HB3 LYS A 86 2.253 10.122 -15.494 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.907 11.838 -16.825 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.193 12.382 -15.319 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.359 13.062 -14.430 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.220 12.248 -15.722 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.201 14.177 -16.722 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.431 14.937 -15.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.101 14.853 -18.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.145 13.899 -17.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.952 13.162 -18.073 1.00 0.00 H new ATOM 1266 N PRO A 87 -0.546 7.324 -15.160 1.00 0.00 N ATOM 1267 CA PRO A 87 -0.493 6.001 -14.547 1.00 0.00 C ATOM 1268 C PRO A 87 0.713 5.231 -15.056 1.00 0.00 C ATOM 1269 O PRO A 87 1.233 5.536 -16.112 1.00 0.00 O ATOM 1270 CB PRO A 87 -1.778 5.294 -15.032 1.00 0.00 C ATOM 1271 CG PRO A 87 -2.429 6.208 -16.114 1.00 0.00 C ATOM 1272 CD PRO A 87 -1.613 7.509 -16.160 1.00 0.00 C ATOM 0 HA PRO A 87 -0.418 6.060 -13.461 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.544 4.314 -15.447 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.465 5.133 -14.201 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -2.424 5.716 -17.087 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.470 6.415 -15.867 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.198 7.680 -17.153 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.233 8.373 -15.921 1.00 0.00 H new ATOM 1280 N ILE A 88 1.150 4.250 -14.308 1.00 0.00 N ATOM 1281 CA ILE A 88 2.324 3.471 -14.771 1.00 0.00 C ATOM 1282 C ILE A 88 2.182 2.022 -14.390 1.00 0.00 C ATOM 1283 O ILE A 88 1.754 1.703 -13.298 1.00 0.00 O ATOM 1284 CB ILE A 88 3.599 4.038 -14.146 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.801 3.236 -14.642 1.00 0.00 C ATOM 1286 CG2 ILE A 88 3.510 3.924 -12.609 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.910 4.203 -15.056 1.00 0.00 C ATOM 0 H ILE A 88 0.750 3.963 -13.415 1.00 0.00 H new ATOM 0 HA ILE A 88 2.382 3.545 -15.857 1.00 0.00 H new ATOM 0 HB ILE A 88 3.712 5.085 -14.429 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.157 2.568 -13.857 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.513 2.610 -15.487 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.418 4.328 -12.161 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.648 4.487 -12.252 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.401 2.877 -12.328 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.772 3.638 -15.411 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.548 4.852 -15.853 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.202 4.810 -14.199 1.00 0.00 H new ATOM 1299 N SER A 89 2.545 1.165 -15.307 1.00 0.00 N ATOM 1300 CA SER A 89 2.448 -0.287 -15.043 1.00 0.00 C ATOM 1301 C SER A 89 3.814 -0.938 -15.134 1.00 0.00 C ATOM 1302 O SER A 89 4.476 -0.856 -16.150 1.00 0.00 O ATOM 1303 CB SER A 89 1.534 -0.914 -16.107 1.00 0.00 C ATOM 1304 OG SER A 89 2.211 -0.675 -17.334 1.00 0.00 O ATOM 0 H SER A 89 2.905 1.416 -16.228 1.00 0.00 H new ATOM 0 HA SER A 89 2.048 -0.442 -14.041 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.392 -1.980 -15.932 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.545 -0.456 -16.102 1.00 0.00 H new ATOM 0 HG SER A 89 3.179 -0.685 -17.181 1.00 0.00 H new ATOM 1310 N ILE A 90 4.207 -1.572 -14.063 1.00 0.00 N ATOM 1311 CA ILE A 90 5.526 -2.247 -14.035 1.00 0.00 C ATOM 1312 C ILE A 90 5.362 -3.738 -13.765 1.00 0.00 C ATOM 1313 O ILE A 90 4.486 -4.151 -13.019 1.00 0.00 O ATOM 1314 CB ILE A 90 6.360 -1.631 -12.908 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.642 -0.410 -12.321 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.711 -1.168 -13.494 1.00 0.00 C ATOM 1317 CD1 ILE A 90 4.402 -0.861 -11.536 1.00 0.00 C ATOM 0 H ILE A 90 3.664 -1.649 -13.203 1.00 0.00 H new ATOM 0 HA ILE A 90 6.015 -2.117 -15.000 1.00 0.00 H new ATOM 0 HB ILE A 90 6.507 -2.374 -12.124 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.318 0.140 -11.666 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.349 0.270 -13.121 1.00 0.00 H new ATOM 0 HG21 ILE A 90 8.318 -0.726 -12.704 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.236 -2.024 -13.919 1.00 0.00 H new ATOM 0 HG23 ILE A 90 7.535 -0.427 -14.273 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.897 0.011 -11.122 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.722 -1.391 -12.203 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.706 -1.523 -10.725 1.00 0.00 H new ATOM 1329 N ASN A 91 6.212 -4.516 -14.371 1.00 0.00 N ATOM 1330 CA ASN A 91 6.138 -5.986 -14.176 1.00 0.00 C ATOM 1331 C ASN A 91 7.134 -6.444 -13.116 1.00 0.00 C ATOM 1332 O ASN A 91 8.147 -5.808 -12.897 1.00 0.00 O ATOM 1333 CB ASN A 91 6.493 -6.659 -15.514 1.00 0.00 C ATOM 1334 CG ASN A 91 6.961 -8.094 -15.262 1.00 0.00 C ATOM 1335 OD1 ASN A 91 8.013 -8.329 -14.702 1.00 0.00 O ATOM 1336 ND2 ASN A 91 6.210 -9.081 -15.664 1.00 0.00 N ATOM 0 H ASN A 91 6.955 -4.196 -14.993 1.00 0.00 H new ATOM 0 HA ASN A 91 5.135 -6.257 -13.848 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.625 -6.660 -16.173 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.276 -6.094 -16.019 1.00 0.00 H new ATOM 0 HD21 ASN A 91 6.507 -10.044 -15.508 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.326 -8.890 -16.135 1.00 0.00 H new ATOM 1343 N TYR A 92 6.829 -7.543 -12.472 1.00 0.00 N ATOM 1344 CA TYR A 92 7.754 -8.052 -11.427 1.00 0.00 C ATOM 1345 C TYR A 92 7.425 -9.490 -11.061 1.00 0.00 C ATOM 1346 O TYR A 92 6.279 -9.843 -10.882 1.00 0.00 O ATOM 1347 CB TYR A 92 7.600 -7.182 -10.166 1.00 0.00 C ATOM 1348 CG TYR A 92 8.728 -7.519 -9.182 1.00 0.00 C ATOM 1349 CD1 TYR A 92 8.677 -8.667 -8.412 1.00 0.00 C ATOM 1350 CD2 TYR A 92 9.814 -6.679 -9.052 1.00 0.00 C ATOM 1351 CE1 TYR A 92 9.699 -8.965 -7.530 1.00 0.00 C ATOM 1352 CE2 TYR A 92 10.833 -6.977 -8.171 1.00 0.00 C ATOM 1353 CZ TYR A 92 10.784 -8.120 -7.404 1.00 0.00 C ATOM 1354 OH TYR A 92 11.804 -8.415 -6.522 1.00 0.00 O ATOM 0 H TYR A 92 5.989 -8.100 -12.625 1.00 0.00 H new ATOM 0 HA TYR A 92 8.772 -8.010 -11.813 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.636 -6.125 -10.432 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.630 -7.361 -9.702 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.833 -9.335 -8.500 1.00 0.00 H new ATOM 0 HD2 TYR A 92 9.867 -5.779 -9.646 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.649 -9.865 -6.935 1.00 0.00 H new ATOM 0 HE2 TYR A 92 11.676 -6.308 -8.082 1.00 0.00 H new ATOM 0 HH TYR A 92 12.486 -7.713 -6.564 1.00 0.00 H new ATOM 1364 N ARG A 93 8.442 -10.295 -10.957 1.00 0.00 N ATOM 1365 CA ARG A 93 8.219 -11.717 -10.603 1.00 0.00 C ATOM 1366 C ARG A 93 8.436 -11.919 -9.117 1.00 0.00 C ATOM 1367 O ARG A 93 9.468 -11.547 -8.594 1.00 0.00 O ATOM 1368 CB ARG A 93 9.237 -12.563 -11.370 1.00 0.00 C ATOM 1369 CG ARG A 93 10.427 -11.680 -11.740 1.00 0.00 C ATOM 1370 CD ARG A 93 11.573 -12.558 -12.230 1.00 0.00 C ATOM 1371 NE ARG A 93 12.148 -11.953 -13.461 1.00 0.00 N ATOM 1372 CZ ARG A 93 12.446 -12.718 -14.470 1.00 0.00 C ATOM 1373 NH1 ARG A 93 11.498 -13.074 -15.292 1.00 0.00 N ATOM 1374 NH2 ARG A 93 13.682 -13.104 -14.624 1.00 0.00 N ATOM 0 H ARG A 93 9.416 -10.028 -11.102 1.00 0.00 H new ATOM 0 HA ARG A 93 7.200 -12.007 -10.859 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.566 -13.404 -10.760 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.782 -12.980 -12.268 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.140 -10.970 -12.516 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.744 -11.097 -10.876 1.00 0.00 H new ATOM 0 HD2 ARG A 93 12.339 -12.644 -11.459 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.214 -13.566 -12.437 1.00 0.00 H new ATOM 0 HE ARG A 93 12.307 -10.947 -13.514 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.542 -12.753 -15.138 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.712 -13.673 -16.089 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.396 -12.806 -13.959 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.935 -13.704 -15.409 1.00 0.00 H new ATOM 1388 N THR A 94 7.463 -12.511 -8.457 1.00 0.00 N ATOM 1389 CA THR A 94 7.609 -12.742 -6.987 1.00 0.00 C ATOM 1390 C THR A 94 7.529 -14.228 -6.660 1.00 0.00 C ATOM 1391 O THR A 94 6.732 -14.884 -7.312 1.00 0.00 O ATOM 1392 CB THR A 94 6.466 -12.013 -6.266 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.614 -11.554 -7.291 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.974 -10.726 -5.579 1.00 0.00 C ATOM 1395 OXT THR A 94 8.269 -14.628 -5.778 1.00 0.00 O ATOM 0 H THR A 94 6.589 -12.838 -8.868 1.00 0.00 H new ATOM 0 HA THR A 94 8.580 -12.367 -6.663 1.00 0.00 H new ATOM 0 HB THR A 94 6.009 -12.679 -5.534 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.730 -11.964 -7.189 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.144 -10.230 -5.076 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.740 -10.982 -4.847 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.397 -10.056 -6.328 1.00 0.00 H new TER 1403 THR A 94