USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 614 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 29 GLN : amide:sc= 1.76 K(o=3.9,f=-3.5) USER MOD Set 1.2: A 77 LYS NZ :NH3+ -161:sc= 2.09 (180deg=1.05) USER MOD Single : A 1 SER N :NH3+ -98:sc= 0.0385 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00579 USER MOD Single : A 2 MET CE :methyl 174:sc= 0 (180deg=-0.0382) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.385 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -52:sc= 0.454 USER MOD Single : A 22 ASN : amide:sc= 1.11 K(o=1.1,f=-0.84) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 33 TYR OH : rot -166:sc= 0.491 USER MOD Single : A 35 THR OG1 : rot -72:sc= 0.237 USER MOD Single : A 37 ASN : amide:sc= 0.781 K(o=0.78,f=-0.12) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.36 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 61 MET CE :methyl 176:sc= 0 (180deg=-0.0174) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -122:sc= 0.574 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -11.564 33.680 3.456 1.00 0.00 N ATOM 2 CA SER A 1 -10.259 33.837 2.773 1.00 0.00 C ATOM 3 C SER A 1 -9.805 32.535 2.117 1.00 0.00 C ATOM 4 O SER A 1 -10.185 31.448 2.558 1.00 0.00 O ATOM 5 CB SER A 1 -9.185 34.335 3.745 1.00 0.00 C ATOM 6 OG SER A 1 -9.623 35.543 4.351 1.00 0.00 O ATOM 0 H1 SER A 1 -12.324 34.026 2.836 1.00 0.00 H new ATOM 0 H2 SER A 1 -11.724 32.675 3.672 1.00 0.00 H new ATOM 0 H3 SER A 1 -11.561 34.228 4.340 1.00 0.00 H new ATOM 0 HA SER A 1 -10.397 34.582 1.990 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.992 33.581 4.508 1.00 0.00 H new ATOM 0 HB3 SER A 1 -8.247 34.500 3.215 1.00 0.00 H new ATOM 0 HG SER A 1 -8.938 35.863 4.975 1.00 0.00 H new ATOM 14 N MET A 2 -8.983 32.624 1.064 1.00 0.00 N ATOM 15 CA MET A 2 -8.398 31.458 0.375 1.00 0.00 C ATOM 16 C MET A 2 -7.315 30.747 1.209 1.00 0.00 C ATOM 17 O MET A 2 -6.732 31.332 2.128 1.00 0.00 O ATOM 18 CB MET A 2 -7.877 31.867 -1.017 1.00 0.00 C ATOM 19 CG MET A 2 -6.670 32.818 -0.978 1.00 0.00 C ATOM 20 SD MET A 2 -6.006 33.282 -2.604 1.00 0.00 S ATOM 21 CE MET A 2 -7.341 34.342 -3.230 1.00 0.00 C ATOM 0 H MET A 2 -8.700 33.516 0.659 1.00 0.00 H new ATOM 0 HA MET A 2 -9.194 30.724 0.245 1.00 0.00 H new ATOM 0 HB2 MET A 2 -7.601 30.968 -1.569 1.00 0.00 H new ATOM 0 HB3 MET A 2 -8.685 32.345 -1.570 1.00 0.00 H new ATOM 0 HG2 MET A 2 -6.958 33.725 -0.448 1.00 0.00 H new ATOM 0 HG3 MET A 2 -5.875 32.349 -0.398 1.00 0.00 H new ATOM 0 HE1 MET A 2 -7.036 34.791 -4.175 1.00 0.00 H new ATOM 0 HE2 MET A 2 -8.238 33.743 -3.386 1.00 0.00 H new ATOM 0 HE3 MET A 2 -7.551 35.129 -2.505 1.00 0.00 H new ATOM 31 N ALA A 3 -7.025 29.484 0.877 1.00 0.00 N ATOM 32 CA ALA A 3 -5.966 28.695 1.510 1.00 0.00 C ATOM 33 C ALA A 3 -4.551 29.207 1.155 1.00 0.00 C ATOM 34 O ALA A 3 -4.320 29.746 0.069 1.00 0.00 O ATOM 35 CB ALA A 3 -6.155 27.222 1.124 1.00 0.00 C ATOM 0 H ALA A 3 -7.528 28.975 0.150 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.048 28.802 2.592 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.373 26.621 1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.130 26.878 1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.096 27.119 0.040 1.00 0.00 H new ATOM 41 N ASP A 4 -3.587 29.002 2.056 1.00 0.00 N ATOM 42 CA ASP A 4 -2.190 29.443 1.912 1.00 0.00 C ATOM 43 C ASP A 4 -1.360 28.459 1.054 1.00 0.00 C ATOM 44 O ASP A 4 -0.450 27.781 1.541 1.00 0.00 O ATOM 45 CB ASP A 4 -1.599 29.703 3.310 1.00 0.00 C ATOM 46 CG ASP A 4 -0.176 30.293 3.263 1.00 0.00 C ATOM 47 OD1 ASP A 4 0.105 31.152 2.391 1.00 0.00 O ATOM 48 OD2 ASP A 4 0.660 29.932 4.127 1.00 0.00 O ATOM 0 H ASP A 4 -3.758 28.510 2.933 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.155 30.382 1.360 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -2.252 30.387 3.853 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -1.580 28.768 3.870 1.00 0.00 H new ATOM 53 N ARG A 5 -1.724 28.346 -0.231 1.00 0.00 N ATOM 54 CA ARG A 5 -1.137 27.420 -1.221 1.00 0.00 C ATOM 55 C ARG A 5 -0.993 28.054 -2.612 1.00 0.00 C ATOM 56 O ARG A 5 -1.685 29.020 -2.940 1.00 0.00 O ATOM 57 CB ARG A 5 -1.958 26.115 -1.259 1.00 0.00 C ATOM 58 CG ARG A 5 -3.398 26.295 -1.773 1.00 0.00 C ATOM 59 CD ARG A 5 -4.184 24.985 -1.658 1.00 0.00 C ATOM 60 NE ARG A 5 -5.562 25.137 -2.167 1.00 0.00 N ATOM 61 CZ ARG A 5 -6.544 24.259 -2.063 1.00 0.00 C ATOM 62 NH1 ARG A 5 -6.386 23.107 -1.474 1.00 0.00 N ATOM 63 NH2 ARG A 5 -7.719 24.523 -2.557 1.00 0.00 N ATOM 0 H ARG A 5 -2.467 28.920 -0.630 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.121 27.185 -0.904 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -1.444 25.393 -1.894 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.992 25.690 -0.256 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -3.898 27.076 -1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -3.380 26.623 -2.812 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -3.672 24.202 -2.217 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.212 24.666 -0.616 1.00 0.00 H new ATOM 0 HE ARG A 5 -5.778 26.010 -2.649 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -5.481 22.858 -1.074 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -7.167 22.454 -1.413 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -7.886 25.412 -3.028 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -8.473 23.841 -2.473 1.00 0.00 H new ATOM 77 N VAL A 6 -0.104 27.490 -3.433 1.00 0.00 N ATOM 78 CA VAL A 6 0.180 27.920 -4.818 1.00 0.00 C ATOM 79 C VAL A 6 0.590 26.717 -5.684 1.00 0.00 C ATOM 80 O VAL A 6 1.197 25.769 -5.177 1.00 0.00 O ATOM 81 CB VAL A 6 1.244 29.042 -4.810 1.00 0.00 C ATOM 82 CG1 VAL A 6 2.660 28.560 -4.471 1.00 0.00 C ATOM 83 CG2 VAL A 6 1.268 29.817 -6.128 1.00 0.00 C ATOM 0 H VAL A 6 0.463 26.691 -3.148 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.724 28.332 -5.267 1.00 0.00 H new ATOM 0 HB VAL A 6 0.931 29.707 -4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.346 29.407 -4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.663 28.109 -3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.979 27.821 -5.207 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.030 30.595 -6.079 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.498 29.135 -6.947 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.293 30.274 -6.299 1.00 0.00 H new ATOM 93 N LEU A 7 0.257 26.726 -6.981 1.00 0.00 N ATOM 94 CA LEU A 7 0.547 25.609 -7.898 1.00 0.00 C ATOM 95 C LEU A 7 1.949 25.692 -8.522 1.00 0.00 C ATOM 96 O LEU A 7 2.570 24.659 -8.783 1.00 0.00 O ATOM 97 CB LEU A 7 -0.521 25.556 -9.009 1.00 0.00 C ATOM 98 CG LEU A 7 -1.974 25.367 -8.532 1.00 0.00 C ATOM 99 CD1 LEU A 7 -2.917 25.425 -9.734 1.00 0.00 C ATOM 100 CD2 LEU A 7 -2.185 24.029 -7.819 1.00 0.00 C ATOM 0 H LEU A 7 -0.222 27.508 -7.428 1.00 0.00 H new ATOM 0 HA LEU A 7 0.520 24.695 -7.305 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.465 26.479 -9.586 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.272 24.740 -9.688 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.186 26.169 -7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.945 25.291 -9.397 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.820 26.392 -10.227 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.660 24.633 -10.437 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.225 23.945 -7.503 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.946 23.212 -8.500 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.535 23.976 -6.946 1.00 0.00 H new ATOM 112 N ARG A 8 2.436 26.908 -8.801 1.00 0.00 N ATOM 113 CA ARG A 8 3.682 27.211 -9.539 1.00 0.00 C ATOM 114 C ARG A 8 4.592 28.159 -8.740 1.00 0.00 C ATOM 115 O ARG A 8 4.186 28.712 -7.718 1.00 0.00 O ATOM 116 CB ARG A 8 3.339 27.831 -10.915 1.00 0.00 C ATOM 117 CG ARG A 8 2.346 27.070 -11.814 1.00 0.00 C ATOM 118 CD ARG A 8 2.887 25.805 -12.495 1.00 0.00 C ATOM 119 NE ARG A 8 3.054 24.692 -11.547 1.00 0.00 N ATOM 120 CZ ARG A 8 3.275 23.420 -11.808 1.00 0.00 C ATOM 121 NH1 ARG A 8 3.309 22.938 -13.016 1.00 0.00 N ATOM 122 NH2 ARG A 8 3.460 22.602 -10.813 1.00 0.00 N ATOM 0 H ARG A 8 1.951 27.755 -8.505 1.00 0.00 H new ATOM 0 HA ARG A 8 4.225 26.277 -9.688 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.938 28.830 -10.743 1.00 0.00 H new ATOM 0 HB3 ARG A 8 4.269 27.952 -11.470 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.481 26.793 -11.212 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.991 27.751 -12.587 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.206 25.503 -13.291 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.846 26.028 -12.963 1.00 0.00 H new ATOM 0 HE ARG A 8 2.990 24.938 -10.559 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.160 23.554 -13.815 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.484 21.944 -13.164 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.432 22.950 -9.855 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.633 21.613 -10.991 1.00 0.00 H new ATOM 136 N GLY A 9 5.825 28.353 -9.214 1.00 0.00 N ATOM 137 CA GLY A 9 6.759 29.349 -8.665 1.00 0.00 C ATOM 138 C GLY A 9 7.323 29.020 -7.276 1.00 0.00 C ATOM 139 O GLY A 9 7.748 29.928 -6.563 1.00 0.00 O ATOM 0 H GLY A 9 6.210 27.821 -9.995 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.591 29.465 -9.359 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.250 30.312 -8.614 1.00 0.00 H new ATOM 143 N SER A 10 7.338 27.745 -6.872 1.00 0.00 N ATOM 144 CA SER A 10 7.733 27.304 -5.520 1.00 0.00 C ATOM 145 C SER A 10 9.171 27.687 -5.130 1.00 0.00 C ATOM 146 O SER A 10 9.449 27.935 -3.954 1.00 0.00 O ATOM 147 CB SER A 10 7.574 25.782 -5.405 1.00 0.00 C ATOM 148 OG SER A 10 6.271 25.381 -5.808 1.00 0.00 O ATOM 0 H SER A 10 7.072 26.973 -7.483 1.00 0.00 H new ATOM 0 HA SER A 10 7.071 27.826 -4.829 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.321 25.286 -6.025 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.754 25.469 -4.377 1.00 0.00 H new ATOM 0 HG SER A 10 6.189 24.408 -5.729 1.00 0.00 H new ATOM 154 N ARG A 11 10.083 27.798 -6.109 1.00 0.00 N ATOM 155 CA ARG A 11 11.483 28.237 -5.940 1.00 0.00 C ATOM 156 C ARG A 11 11.608 29.772 -6.001 1.00 0.00 C ATOM 157 O ARG A 11 12.329 30.323 -6.833 1.00 0.00 O ATOM 158 CB ARG A 11 12.375 27.473 -6.940 1.00 0.00 C ATOM 159 CG ARG A 11 13.869 27.527 -6.568 1.00 0.00 C ATOM 160 CD ARG A 11 14.744 26.732 -7.549 1.00 0.00 C ATOM 161 NE ARG A 11 14.728 27.303 -8.913 1.00 0.00 N ATOM 162 CZ ARG A 11 15.445 28.316 -9.369 1.00 0.00 C ATOM 163 NH1 ARG A 11 16.296 28.964 -8.622 1.00 0.00 N ATOM 164 NH2 ARG A 11 15.321 28.706 -10.606 1.00 0.00 N ATOM 0 H ARG A 11 9.859 27.576 -7.079 1.00 0.00 H new ATOM 0 HA ARG A 11 11.842 27.984 -4.942 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.054 26.432 -6.985 1.00 0.00 H new ATOM 0 HB3 ARG A 11 12.238 27.893 -7.937 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.199 28.566 -6.550 1.00 0.00 H new ATOM 0 HG3 ARG A 11 14.005 27.132 -5.561 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.769 26.710 -7.180 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.396 25.700 -7.587 1.00 0.00 H new ATOM 0 HE ARG A 11 14.091 26.865 -9.578 1.00 0.00 H new ATOM 0 HH11 ARG A 11 16.428 28.694 -7.647 1.00 0.00 H new ATOM 0 HH12 ARG A 11 16.830 29.740 -9.013 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.668 28.229 -11.228 1.00 0.00 H new ATOM 0 HH22 ARG A 11 15.877 29.488 -10.952 1.00 0.00 H new ATOM 178 N LEU A 12 10.856 30.459 -5.133 1.00 0.00 N ATOM 179 CA LEU A 12 10.783 31.923 -4.995 1.00 0.00 C ATOM 180 C LEU A 12 10.444 32.653 -6.323 1.00 0.00 C ATOM 181 O LEU A 12 10.957 33.739 -6.614 1.00 0.00 O ATOM 182 CB LEU A 12 12.032 32.467 -4.261 1.00 0.00 C ATOM 183 CG LEU A 12 12.173 32.105 -2.766 1.00 0.00 C ATOM 184 CD1 LEU A 12 12.511 30.634 -2.493 1.00 0.00 C ATOM 185 CD2 LEU A 12 13.299 32.943 -2.155 1.00 0.00 C ATOM 0 H LEU A 12 10.246 29.983 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 12 9.928 32.154 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.918 32.105 -4.783 1.00 0.00 H new ATOM 0 HB3 LEU A 12 12.032 33.553 -4.349 1.00 0.00 H new ATOM 0 HG LEU A 12 11.197 32.305 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 12 12.590 30.472 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.724 29.998 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 12 13.459 30.384 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 12 13.406 32.694 -1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 12 14.234 32.731 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.060 34.002 -2.256 1.00 0.00 H new ATOM 197 N GLY A 13 9.583 32.038 -7.139 1.00 0.00 N ATOM 198 CA GLY A 13 9.051 32.572 -8.399 1.00 0.00 C ATOM 199 C GLY A 13 7.752 33.374 -8.220 1.00 0.00 C ATOM 200 O GLY A 13 7.537 34.020 -7.191 1.00 0.00 O ATOM 0 H GLY A 13 9.219 31.108 -6.930 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.803 33.211 -8.861 1.00 0.00 H new ATOM 0 HA3 GLY A 13 8.868 31.746 -9.087 1.00 0.00 H new ATOM 204 N ALA A 14 6.882 33.329 -9.234 1.00 0.00 N ATOM 205 CA ALA A 14 5.602 34.047 -9.287 1.00 0.00 C ATOM 206 C ALA A 14 4.478 33.220 -9.955 1.00 0.00 C ATOM 207 O ALA A 14 4.740 32.174 -10.556 1.00 0.00 O ATOM 208 CB ALA A 14 5.841 35.376 -10.022 1.00 0.00 C ATOM 0 H ALA A 14 7.055 32.772 -10.071 1.00 0.00 H new ATOM 0 HA ALA A 14 5.253 34.232 -8.271 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.906 35.934 -10.078 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.582 35.963 -9.480 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.204 35.174 -11.030 1.00 0.00 H new ATOM 214 N VAL A 15 3.243 33.739 -9.871 1.00 0.00 N ATOM 215 CA VAL A 15 1.977 33.250 -10.455 1.00 0.00 C ATOM 216 C VAL A 15 1.579 31.793 -10.135 1.00 0.00 C ATOM 217 O VAL A 15 2.274 31.073 -9.417 1.00 0.00 O ATOM 218 CB VAL A 15 1.848 33.622 -11.951 1.00 0.00 C ATOM 219 CG1 VAL A 15 2.138 35.106 -12.214 1.00 0.00 C ATOM 220 CG2 VAL A 15 2.696 32.778 -12.908 1.00 0.00 C ATOM 0 H VAL A 15 3.087 34.596 -9.341 1.00 0.00 H new ATOM 0 HA VAL A 15 1.210 33.804 -9.913 1.00 0.00 H new ATOM 0 HB VAL A 15 0.803 33.400 -12.167 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.034 35.314 -13.279 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.432 35.719 -11.654 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.154 35.340 -11.897 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.535 33.117 -13.932 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.750 32.885 -12.651 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.407 31.730 -12.823 1.00 0.00 H new ATOM 230 N SER A 16 0.399 31.373 -10.609 1.00 0.00 N ATOM 231 CA SER A 16 -0.194 30.048 -10.368 1.00 0.00 C ATOM 232 C SER A 16 -1.079 29.621 -11.549 1.00 0.00 C ATOM 233 O SER A 16 -1.907 30.409 -12.015 1.00 0.00 O ATOM 234 CB SER A 16 -1.035 30.104 -9.089 1.00 0.00 C ATOM 235 OG SER A 16 -1.293 28.799 -8.601 1.00 0.00 O ATOM 0 H SER A 16 -0.191 31.966 -11.192 1.00 0.00 H new ATOM 0 HA SER A 16 0.607 29.317 -10.260 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.512 30.685 -8.329 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.977 30.615 -9.289 1.00 0.00 H new ATOM 0 HG SER A 16 -1.830 28.856 -7.783 1.00 0.00 H new ATOM 241 N TYR A 17 -0.904 28.392 -12.044 1.00 0.00 N ATOM 242 CA TYR A 17 -1.683 27.806 -13.146 1.00 0.00 C ATOM 243 C TYR A 17 -1.618 26.267 -13.146 1.00 0.00 C ATOM 244 O TYR A 17 -0.660 25.666 -12.658 1.00 0.00 O ATOM 245 CB TYR A 17 -1.232 28.387 -14.504 1.00 0.00 C ATOM 246 CG TYR A 17 0.262 28.375 -14.794 1.00 0.00 C ATOM 247 CD1 TYR A 17 0.880 27.218 -15.303 1.00 0.00 C ATOM 248 CD2 TYR A 17 1.031 29.541 -14.591 1.00 0.00 C ATOM 249 CE1 TYR A 17 2.257 27.213 -15.594 1.00 0.00 C ATOM 250 CE2 TYR A 17 2.411 29.542 -14.883 1.00 0.00 C ATOM 251 CZ TYR A 17 3.029 28.374 -15.382 1.00 0.00 C ATOM 252 OH TYR A 17 4.362 28.360 -15.659 1.00 0.00 O ATOM 0 H TYR A 17 -0.195 27.756 -11.680 1.00 0.00 H new ATOM 0 HA TYR A 17 -2.727 28.077 -12.989 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.736 27.832 -15.295 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.582 29.418 -14.565 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.293 26.327 -15.472 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.561 30.436 -14.211 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.723 26.319 -15.980 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.995 30.436 -14.725 1.00 0.00 H new ATOM 0 HH TYR A 17 4.747 29.239 -15.459 1.00 0.00 H new ATOM 262 N GLU A 18 -2.642 25.622 -13.711 1.00 0.00 N ATOM 263 CA GLU A 18 -2.848 24.160 -13.688 1.00 0.00 C ATOM 264 C GLU A 18 -1.978 23.369 -14.683 1.00 0.00 C ATOM 265 O GLU A 18 -1.915 22.139 -14.640 1.00 0.00 O ATOM 266 CB GLU A 18 -4.334 23.835 -13.930 1.00 0.00 C ATOM 267 CG GLU A 18 -5.315 24.579 -13.012 1.00 0.00 C ATOM 268 CD GLU A 18 -5.919 25.836 -13.676 1.00 0.00 C ATOM 269 OE1 GLU A 18 -5.169 26.797 -13.974 1.00 0.00 O ATOM 270 OE2 GLU A 18 -7.154 25.870 -13.903 1.00 0.00 O ATOM 0 H GLU A 18 -3.379 26.114 -14.216 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.532 23.838 -12.696 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.579 24.070 -14.966 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.482 22.763 -13.803 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.120 23.903 -12.724 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.800 24.869 -12.096 1.00 0.00 H new ATOM 277 N THR A 19 -1.289 24.091 -15.567 1.00 0.00 N ATOM 278 CA THR A 19 -0.381 23.577 -16.616 1.00 0.00 C ATOM 279 C THR A 19 -1.076 22.602 -17.584 1.00 0.00 C ATOM 280 O THR A 19 -0.587 21.508 -17.873 1.00 0.00 O ATOM 281 CB THR A 19 0.936 23.023 -16.028 1.00 0.00 C ATOM 282 OG1 THR A 19 1.400 23.849 -14.978 1.00 0.00 O ATOM 283 CG2 THR A 19 2.083 22.996 -17.041 1.00 0.00 C ATOM 0 H THR A 19 -1.347 25.109 -15.578 1.00 0.00 H new ATOM 0 HA THR A 19 -0.098 24.433 -17.228 1.00 0.00 H new ATOM 0 HB THR A 19 0.690 22.013 -15.700 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.439 24.779 -15.286 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.979 22.597 -16.566 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.808 22.364 -17.885 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.280 24.008 -17.394 1.00 0.00 H new ATOM 291 N ASP A 20 -2.247 22.996 -18.098 1.00 0.00 N ATOM 292 CA ASP A 20 -2.926 22.292 -19.198 1.00 0.00 C ATOM 293 C ASP A 20 -2.165 22.487 -20.532 1.00 0.00 C ATOM 294 O ASP A 20 -1.478 23.497 -20.729 1.00 0.00 O ATOM 295 CB ASP A 20 -4.398 22.740 -19.278 1.00 0.00 C ATOM 296 CG ASP A 20 -5.331 21.742 -19.999 1.00 0.00 C ATOM 297 OD1 ASP A 20 -4.843 20.797 -20.666 1.00 0.00 O ATOM 298 OD2 ASP A 20 -6.570 21.889 -19.871 1.00 0.00 O ATOM 0 H ASP A 20 -2.754 23.815 -17.763 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.923 21.220 -18.999 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.771 22.902 -18.267 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.445 23.700 -19.793 1.00 0.00 H new ATOM 303 N ARG A 21 -2.261 21.510 -21.440 1.00 0.00 N ATOM 304 CA ARG A 21 -1.443 21.380 -22.666 1.00 0.00 C ATOM 305 C ARG A 21 -2.273 21.228 -23.954 1.00 0.00 C ATOM 306 O ARG A 21 -1.730 20.867 -25.000 1.00 0.00 O ATOM 307 CB ARG A 21 -0.421 20.237 -22.486 1.00 0.00 C ATOM 308 CG ARG A 21 0.558 20.485 -21.325 1.00 0.00 C ATOM 309 CD ARG A 21 1.592 19.358 -21.224 1.00 0.00 C ATOM 310 NE ARG A 21 2.555 19.596 -20.129 1.00 0.00 N ATOM 311 CZ ARG A 21 2.414 19.283 -18.852 1.00 0.00 C ATOM 312 NH1 ARG A 21 1.334 18.726 -18.383 1.00 0.00 N ATOM 313 NH2 ARG A 21 3.375 19.527 -18.007 1.00 0.00 N ATOM 0 H ARG A 21 -2.937 20.753 -21.343 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.906 22.319 -22.802 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.955 19.303 -22.311 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.144 20.113 -23.410 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.067 21.438 -21.472 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.005 20.560 -20.389 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.081 18.409 -21.060 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.129 19.271 -22.168 1.00 0.00 H new ATOM 0 HE ARG A 21 3.429 20.054 -20.388 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.556 18.515 -19.008 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.266 18.501 -17.391 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.240 19.961 -18.330 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.263 19.284 -17.023 1.00 0.00 H new ATOM 327 N ASN A 22 -3.579 21.495 -23.892 1.00 0.00 N ATOM 328 CA ASN A 22 -4.496 21.410 -25.035 1.00 0.00 C ATOM 329 C ASN A 22 -4.150 22.414 -26.159 1.00 0.00 C ATOM 330 O ASN A 22 -3.676 23.526 -25.905 1.00 0.00 O ATOM 331 CB ASN A 22 -5.949 21.547 -24.543 1.00 0.00 C ATOM 332 CG ASN A 22 -6.304 22.958 -24.091 1.00 0.00 C ATOM 333 OD1 ASN A 22 -5.793 23.472 -23.104 1.00 0.00 O ATOM 334 ND2 ASN A 22 -7.181 23.633 -24.797 1.00 0.00 N ATOM 0 H ASN A 22 -4.040 21.782 -23.029 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.379 20.428 -25.493 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.626 21.249 -25.344 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.111 20.857 -23.715 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.435 24.582 -24.523 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.609 23.208 -25.620 1.00 0.00 H new ATOM 341 N HIS A 23 -4.394 22.008 -27.408 1.00 0.00 N ATOM 342 CA HIS A 23 -3.936 22.682 -28.636 1.00 0.00 C ATOM 343 C HIS A 23 -4.979 22.607 -29.771 1.00 0.00 C ATOM 344 O HIS A 23 -4.639 22.481 -30.949 1.00 0.00 O ATOM 345 CB HIS A 23 -2.571 22.088 -29.044 1.00 0.00 C ATOM 346 CG HIS A 23 -2.614 20.631 -29.461 1.00 0.00 C ATOM 347 ND1 HIS A 23 -2.971 19.550 -28.645 1.00 0.00 N ATOM 348 CD2 HIS A 23 -2.308 20.155 -30.704 1.00 0.00 C ATOM 349 CE1 HIS A 23 -2.873 18.452 -29.416 1.00 0.00 C ATOM 350 NE2 HIS A 23 -2.478 18.788 -30.656 1.00 0.00 N ATOM 0 H HIS A 23 -4.937 21.167 -27.604 1.00 0.00 H new ATOM 0 HA HIS A 23 -3.814 23.747 -28.437 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -2.166 22.676 -29.868 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -1.880 22.192 -28.208 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -1.994 20.736 -31.558 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -3.082 17.445 -29.086 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.329 18.141 -31.430 1.00 0.00 H new ATOM 358 N ASP A 24 -6.265 22.616 -29.407 1.00 0.00 N ATOM 359 CA ASP A 24 -7.376 22.196 -30.276 1.00 0.00 C ATOM 360 C ASP A 24 -7.510 23.044 -31.557 1.00 0.00 C ATOM 361 O ASP A 24 -7.409 24.275 -31.530 1.00 0.00 O ATOM 362 CB ASP A 24 -8.714 22.212 -29.511 1.00 0.00 C ATOM 363 CG ASP A 24 -8.590 21.829 -28.029 1.00 0.00 C ATOM 364 OD1 ASP A 24 -8.343 22.753 -27.214 1.00 0.00 O ATOM 365 OD2 ASP A 24 -8.729 20.633 -27.685 1.00 0.00 O ATOM 0 H ASP A 24 -6.572 22.921 -28.483 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.135 21.179 -30.584 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.150 23.208 -29.583 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.407 21.525 -29.997 1.00 0.00 H new ATOM 370 N LEU A 25 -7.808 22.375 -32.676 1.00 0.00 N ATOM 371 CA LEU A 25 -7.936 22.959 -34.013 1.00 0.00 C ATOM 372 C LEU A 25 -9.405 23.158 -34.431 1.00 0.00 C ATOM 373 O LEU A 25 -9.950 22.474 -35.298 1.00 0.00 O ATOM 374 CB LEU A 25 -7.009 22.229 -35.000 1.00 0.00 C ATOM 375 CG LEU A 25 -7.347 20.793 -35.446 1.00 0.00 C ATOM 376 CD1 LEU A 25 -6.274 20.312 -36.426 1.00 0.00 C ATOM 377 CD2 LEU A 25 -7.435 19.768 -34.311 1.00 0.00 C ATOM 0 H LEU A 25 -7.973 21.369 -32.673 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.572 23.986 -34.013 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.943 22.842 -35.899 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.014 22.206 -34.556 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.339 20.852 -35.894 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.504 19.296 -36.748 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.252 20.971 -37.294 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.301 20.325 -35.935 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.677 18.788 -34.723 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.478 19.717 -33.792 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.213 20.068 -33.609 1.00 0.00 H new ATOM 389 N ALA A 26 -10.051 24.116 -33.766 1.00 0.00 N ATOM 390 CA ALA A 26 -11.460 24.478 -33.956 1.00 0.00 C ATOM 391 C ALA A 26 -11.695 26.004 -33.839 1.00 0.00 C ATOM 392 O ALA A 26 -11.039 26.658 -33.020 1.00 0.00 O ATOM 393 CB ALA A 26 -12.303 23.708 -32.930 1.00 0.00 C ATOM 0 H ALA A 26 -9.592 24.684 -33.053 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.760 24.203 -34.967 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.355 23.965 -33.057 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.171 22.637 -33.081 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.983 23.975 -31.923 1.00 0.00 H new ATOM 399 N PRO A 27 -12.637 26.586 -34.610 1.00 0.00 N ATOM 400 CA PRO A 27 -12.989 28.003 -34.531 1.00 0.00 C ATOM 401 C PRO A 27 -13.841 28.278 -33.281 1.00 0.00 C ATOM 402 O PRO A 27 -14.991 27.840 -33.172 1.00 0.00 O ATOM 403 CB PRO A 27 -13.720 28.303 -35.844 1.00 0.00 C ATOM 404 CG PRO A 27 -14.393 26.976 -36.193 1.00 0.00 C ATOM 405 CD PRO A 27 -13.409 25.937 -35.660 1.00 0.00 C ATOM 0 HA PRO A 27 -12.122 28.655 -34.424 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.450 29.103 -35.722 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.028 28.619 -36.625 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.371 26.884 -35.721 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -14.546 26.872 -37.267 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.939 25.068 -35.269 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.755 25.580 -36.456 1.00 0.00 H new ATOM 413 N ARG A 28 -13.252 28.987 -32.313 1.00 0.00 N ATOM 414 CA ARG A 28 -13.865 29.324 -31.016 1.00 0.00 C ATOM 415 C ARG A 28 -13.558 30.741 -30.501 1.00 0.00 C ATOM 416 O ARG A 28 -12.657 31.421 -30.993 1.00 0.00 O ATOM 417 CB ARG A 28 -13.522 28.216 -30.005 1.00 0.00 C ATOM 418 CG ARG A 28 -12.026 28.097 -29.683 1.00 0.00 C ATOM 419 CD ARG A 28 -11.772 26.972 -28.673 1.00 0.00 C ATOM 420 NE ARG A 28 -10.328 26.729 -28.487 1.00 0.00 N ATOM 421 CZ ARG A 28 -9.773 25.650 -27.963 1.00 0.00 C ATOM 422 NH1 ARG A 28 -10.460 24.679 -27.435 1.00 0.00 N ATOM 423 NH2 ARG A 28 -8.485 25.487 -27.957 1.00 0.00 N ATOM 0 H ARG A 28 -12.306 29.356 -32.410 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.945 29.360 -31.160 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.067 28.403 -29.080 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.875 27.262 -30.396 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.467 27.902 -30.598 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.660 29.042 -29.281 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.225 27.231 -27.716 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.255 26.057 -29.016 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.695 27.468 -28.794 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.479 24.729 -27.412 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.980 23.868 -27.044 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.879 26.200 -28.362 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.079 24.646 -27.547 1.00 0.00 H new ATOM 437 N GLN A 29 -14.333 31.166 -29.502 1.00 0.00 N ATOM 438 CA GLN A 29 -14.386 32.501 -28.898 1.00 0.00 C ATOM 439 C GLN A 29 -14.330 32.373 -27.367 1.00 0.00 C ATOM 440 O GLN A 29 -15.314 32.026 -26.714 1.00 0.00 O ATOM 441 CB GLN A 29 -15.691 33.222 -29.289 1.00 0.00 C ATOM 442 CG GLN A 29 -15.971 33.319 -30.800 1.00 0.00 C ATOM 443 CD GLN A 29 -17.346 32.764 -31.141 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.190 33.420 -31.740 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.603 31.533 -30.765 1.00 0.00 N ATOM 0 H GLN A 29 -14.996 30.532 -29.056 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.536 33.079 -29.261 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.526 32.706 -28.815 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.665 34.231 -28.877 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.907 34.359 -31.118 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.207 32.769 -31.350 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.895 30.994 -30.267 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.511 31.116 -30.971 1.00 0.00 H new ATOM 454 N ILE A 30 -13.167 32.629 -26.783 1.00 0.00 N ATOM 455 CA ILE A 30 -12.948 32.626 -25.337 1.00 0.00 C ATOM 456 C ILE A 30 -13.384 33.979 -24.765 1.00 0.00 C ATOM 457 O ILE A 30 -12.732 35.004 -24.981 1.00 0.00 O ATOM 458 CB ILE A 30 -11.485 32.282 -24.986 1.00 0.00 C ATOM 459 CG1 ILE A 30 -11.060 30.852 -25.388 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.274 32.379 -23.460 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.185 30.433 -26.857 1.00 0.00 C ATOM 0 H ILE A 30 -12.325 32.851 -27.314 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.554 31.844 -24.879 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.885 32.998 -25.547 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.018 30.722 -25.095 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.648 30.153 -24.794 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.239 32.135 -23.220 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.495 33.393 -23.126 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.939 31.678 -22.955 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.847 29.403 -26.972 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.226 30.510 -27.170 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.571 31.088 -27.476 1.00 0.00 H new ATOM 473 N ALA A 31 -14.483 33.960 -24.017 1.00 0.00 N ATOM 474 CA ALA A 31 -14.871 35.028 -23.101 1.00 0.00 C ATOM 475 C ALA A 31 -14.439 34.713 -21.655 1.00 0.00 C ATOM 476 O ALA A 31 -14.242 33.553 -21.284 1.00 0.00 O ATOM 477 CB ALA A 31 -16.382 35.240 -23.218 1.00 0.00 C ATOM 0 H ALA A 31 -15.144 33.183 -24.031 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.360 35.952 -23.372 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.691 36.035 -22.540 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.632 35.518 -24.242 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.900 34.318 -22.956 1.00 0.00 H new ATOM 483 N ARG A 32 -14.340 35.752 -20.821 1.00 0.00 N ATOM 484 CA ARG A 32 -14.211 35.644 -19.356 1.00 0.00 C ATOM 485 C ARG A 32 -15.490 36.129 -18.673 1.00 0.00 C ATOM 486 O ARG A 32 -16.154 37.029 -19.184 1.00 0.00 O ATOM 487 CB ARG A 32 -12.962 36.402 -18.849 1.00 0.00 C ATOM 488 CG ARG A 32 -11.841 35.409 -18.528 1.00 0.00 C ATOM 489 CD ARG A 32 -10.551 36.055 -18.015 1.00 0.00 C ATOM 490 NE ARG A 32 -9.690 35.050 -17.363 1.00 0.00 N ATOM 491 CZ ARG A 32 -8.419 35.162 -17.028 1.00 0.00 C ATOM 492 NH1 ARG A 32 -7.711 36.231 -17.259 1.00 0.00 N ATOM 493 NH2 ARG A 32 -7.841 34.162 -16.433 1.00 0.00 N ATOM 0 H ARG A 32 -14.347 36.718 -21.149 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.072 34.595 -19.095 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.625 37.111 -19.605 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.213 36.980 -17.959 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.201 34.702 -17.780 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.613 34.834 -19.426 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.015 36.518 -18.844 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.792 36.849 -17.308 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.133 34.157 -17.144 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.137 37.035 -17.720 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.731 36.264 -16.979 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.369 33.312 -16.234 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.859 34.227 -16.165 1.00 0.00 H new ATOM 507 N TYR A 33 -15.803 35.581 -17.501 1.00 0.00 N ATOM 508 CA TYR A 33 -16.940 35.994 -16.672 1.00 0.00 C ATOM 509 C TYR A 33 -16.562 36.020 -15.186 1.00 0.00 C ATOM 510 O TYR A 33 -15.846 35.138 -14.704 1.00 0.00 O ATOM 511 CB TYR A 33 -18.146 35.072 -16.882 1.00 0.00 C ATOM 512 CG TYR A 33 -18.722 35.025 -18.280 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.100 34.263 -19.285 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.914 35.712 -18.556 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.687 34.176 -20.560 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.492 35.643 -19.833 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.901 34.842 -20.826 1.00 0.00 C ATOM 518 OH TYR A 33 -20.528 34.693 -22.016 1.00 0.00 O ATOM 0 H TYR A 33 -15.263 34.820 -17.089 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.213 37.002 -16.982 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.856 34.060 -16.598 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.936 35.381 -16.197 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.174 33.746 -19.078 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.389 36.297 -17.782 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.207 33.598 -21.336 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.389 36.204 -20.052 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.218 35.383 -22.111 1.00 0.00 H new ATOM 528 N ARG A 34 -17.059 37.025 -14.454 1.00 0.00 N ATOM 529 CA ARG A 34 -16.784 37.263 -13.028 1.00 0.00 C ATOM 530 C ARG A 34 -17.997 36.948 -12.159 1.00 0.00 C ATOM 531 O ARG A 34 -19.084 37.465 -12.413 1.00 0.00 O ATOM 532 CB ARG A 34 -16.294 38.709 -12.829 1.00 0.00 C ATOM 533 CG ARG A 34 -15.701 38.893 -11.423 1.00 0.00 C ATOM 534 CD ARG A 34 -14.835 40.155 -11.319 1.00 0.00 C ATOM 535 NE ARG A 34 -13.860 40.021 -10.221 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.183 40.970 -9.609 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.334 42.235 -9.890 1.00 0.00 N ATOM 538 NH2 ARG A 34 -12.333 40.645 -8.679 1.00 0.00 N ATOM 0 H ARG A 34 -17.688 37.722 -14.852 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.994 36.584 -12.707 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.542 38.950 -13.581 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.123 39.402 -12.973 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.510 38.948 -10.694 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.100 38.020 -11.167 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.311 40.323 -12.260 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -15.468 41.025 -11.147 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.688 39.071 -9.893 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.998 42.522 -10.609 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.788 42.937 -9.390 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.198 39.665 -8.432 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.802 41.371 -8.197 1.00 0.00 H new ATOM 552 N THR A 35 -17.802 36.112 -11.144 1.00 0.00 N ATOM 553 CA THR A 35 -18.845 35.691 -10.189 1.00 0.00 C ATOM 554 C THR A 35 -19.109 36.776 -9.142 1.00 0.00 C ATOM 555 O THR A 35 -18.422 37.799 -9.080 1.00 0.00 O ATOM 556 CB THR A 35 -18.510 34.364 -9.491 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.342 34.503 -8.739 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.338 33.214 -10.471 1.00 0.00 C ATOM 0 H THR A 35 -16.893 35.692 -10.950 1.00 0.00 H new ATOM 0 HA THR A 35 -19.748 35.534 -10.779 1.00 0.00 H new ATOM 0 HB THR A 35 -19.354 34.125 -8.845 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.571 34.567 -9.341 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.103 32.301 -9.923 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.262 33.073 -11.032 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.526 33.443 -11.161 1.00 0.00 H new ATOM 566 N ASP A 36 -20.083 36.541 -8.264 1.00 0.00 N ATOM 567 CA ASP A 36 -20.468 37.503 -7.221 1.00 0.00 C ATOM 568 C ASP A 36 -19.510 37.477 -6.012 1.00 0.00 C ATOM 569 O ASP A 36 -19.513 38.382 -5.176 1.00 0.00 O ATOM 570 CB ASP A 36 -21.924 37.236 -6.817 1.00 0.00 C ATOM 571 CG ASP A 36 -22.493 38.317 -5.880 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.617 39.489 -6.311 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.858 37.989 -4.724 1.00 0.00 O ATOM 0 H ASP A 36 -20.630 35.680 -8.252 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.389 38.513 -7.624 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.540 37.179 -7.714 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.987 36.266 -6.325 1.00 0.00 H new ATOM 578 N ASN A 37 -18.642 36.462 -5.953 1.00 0.00 N ATOM 579 CA ASN A 37 -17.590 36.282 -4.959 1.00 0.00 C ATOM 580 C ASN A 37 -16.224 36.809 -5.473 1.00 0.00 C ATOM 581 O ASN A 37 -15.177 36.549 -4.876 1.00 0.00 O ATOM 582 CB ASN A 37 -17.649 34.794 -4.582 1.00 0.00 C ATOM 583 CG ASN A 37 -16.754 34.396 -3.426 1.00 0.00 C ATOM 584 OD1 ASN A 37 -16.690 35.044 -2.390 1.00 0.00 O ATOM 585 ND2 ASN A 37 -16.086 33.275 -3.547 1.00 0.00 N ATOM 0 H ASN A 37 -18.659 35.705 -6.637 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.732 36.877 -4.057 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -18.678 34.538 -4.331 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -17.376 34.201 -5.455 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -15.509 32.939 -2.776 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.143 32.738 -4.413 1.00 0.00 H new ATOM 592 N GLY A 38 -16.230 37.544 -6.598 1.00 0.00 N ATOM 593 CA GLY A 38 -15.057 38.118 -7.276 1.00 0.00 C ATOM 594 C GLY A 38 -14.329 37.170 -8.220 1.00 0.00 C ATOM 595 O GLY A 38 -13.332 37.561 -8.828 1.00 0.00 O ATOM 0 H GLY A 38 -17.099 37.765 -7.084 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.376 38.994 -7.840 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.353 38.465 -6.520 1.00 0.00 H new ATOM 599 N GLU A 39 -14.793 35.929 -8.327 1.00 0.00 N ATOM 600 CA GLU A 39 -14.043 34.830 -8.934 1.00 0.00 C ATOM 601 C GLU A 39 -14.225 34.821 -10.450 1.00 0.00 C ATOM 602 O GLU A 39 -15.347 34.710 -10.943 1.00 0.00 O ATOM 603 CB GLU A 39 -14.412 33.474 -8.311 1.00 0.00 C ATOM 604 CG GLU A 39 -14.688 33.543 -6.805 1.00 0.00 C ATOM 605 CD GLU A 39 -14.267 32.245 -6.093 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.054 31.922 -6.064 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.144 31.568 -5.513 1.00 0.00 O ATOM 0 H GLU A 39 -15.715 35.652 -7.990 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.986 34.995 -8.725 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.294 33.080 -8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.601 32.769 -8.491 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.149 34.387 -6.374 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.750 33.723 -6.637 1.00 0.00 H new ATOM 614 N GLU A 40 -13.132 34.952 -11.191 1.00 0.00 N ATOM 615 CA GLU A 40 -13.155 35.061 -12.657 1.00 0.00 C ATOM 616 C GLU A 40 -12.762 33.736 -13.328 1.00 0.00 C ATOM 617 O GLU A 40 -11.717 33.150 -13.028 1.00 0.00 O ATOM 618 CB GLU A 40 -12.199 36.171 -13.117 1.00 0.00 C ATOM 619 CG GLU A 40 -12.682 37.558 -12.693 1.00 0.00 C ATOM 620 CD GLU A 40 -11.634 38.636 -13.027 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.521 39.032 -14.212 1.00 0.00 O ATOM 622 OE2 GLU A 40 -10.913 39.091 -12.106 1.00 0.00 O ATOM 0 H GLU A 40 -12.193 34.987 -10.795 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.175 35.305 -12.954 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.208 35.990 -12.702 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.101 36.138 -14.202 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.620 37.790 -13.197 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.886 37.564 -11.622 1.00 0.00 H new ATOM 629 N PHE A 41 -13.608 33.283 -14.259 1.00 0.00 N ATOM 630 CA PHE A 41 -13.454 32.043 -15.029 1.00 0.00 C ATOM 631 C PHE A 41 -13.579 32.292 -16.534 1.00 0.00 C ATOM 632 O PHE A 41 -14.130 33.303 -16.969 1.00 0.00 O ATOM 633 CB PHE A 41 -14.503 31.020 -14.579 1.00 0.00 C ATOM 634 CG PHE A 41 -14.356 30.562 -13.140 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.955 31.281 -12.086 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.598 29.412 -12.851 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.783 30.847 -10.766 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.409 28.995 -11.521 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.002 29.717 -10.474 1.00 0.00 C ATOM 0 H PHE A 41 -14.456 33.792 -14.508 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.454 31.653 -14.839 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.495 31.453 -14.710 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.447 30.149 -15.232 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.544 32.162 -12.295 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.158 28.845 -13.658 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.258 31.389 -9.961 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.810 28.122 -11.306 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.859 29.406 -9.450 1.00 0.00 H new ATOM 649 N GLU A 42 -13.108 31.339 -17.337 1.00 0.00 N ATOM 650 CA GLU A 42 -13.095 31.415 -18.796 1.00 0.00 C ATOM 651 C GLU A 42 -14.100 30.439 -19.409 1.00 0.00 C ATOM 652 O GLU A 42 -14.192 29.279 -18.997 1.00 0.00 O ATOM 653 CB GLU A 42 -11.697 31.108 -19.356 1.00 0.00 C ATOM 654 CG GLU A 42 -10.582 31.935 -18.706 1.00 0.00 C ATOM 655 CD GLU A 42 -9.934 31.307 -17.459 1.00 0.00 C ATOM 656 OE1 GLU A 42 -9.660 30.083 -17.429 1.00 0.00 O ATOM 657 OE2 GLU A 42 -9.664 32.077 -16.506 1.00 0.00 O ATOM 0 H GLU A 42 -12.714 30.469 -16.980 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.374 32.434 -19.063 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.482 30.049 -19.214 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.696 31.293 -20.430 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.804 32.112 -19.449 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.988 32.909 -18.432 1.00 0.00 H new ATOM 664 N VAL A 43 -14.831 30.909 -20.419 1.00 0.00 N ATOM 665 CA VAL A 43 -15.814 30.115 -21.168 1.00 0.00 C ATOM 666 C VAL A 43 -15.481 30.146 -22.669 1.00 0.00 C ATOM 667 O VAL A 43 -15.667 31.182 -23.316 1.00 0.00 O ATOM 668 CB VAL A 43 -17.250 30.598 -20.902 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.263 29.644 -21.544 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.566 30.720 -19.404 1.00 0.00 C ATOM 0 H VAL A 43 -14.758 31.871 -20.749 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.758 29.083 -20.822 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.327 31.590 -21.346 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.274 30.000 -21.346 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.096 29.606 -22.620 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.141 28.646 -21.122 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.592 31.064 -19.275 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.447 29.747 -18.927 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.883 31.435 -18.945 1.00 0.00 H new ATOM 680 N PRO A 44 -14.989 29.032 -23.248 1.00 0.00 N ATOM 681 CA PRO A 44 -14.803 28.892 -24.689 1.00 0.00 C ATOM 682 C PRO A 44 -16.136 28.575 -25.389 1.00 0.00 C ATOM 683 O PRO A 44 -16.748 27.529 -25.157 1.00 0.00 O ATOM 684 CB PRO A 44 -13.767 27.774 -24.853 1.00 0.00 C ATOM 685 CG PRO A 44 -13.970 26.896 -23.617 1.00 0.00 C ATOM 686 CD PRO A 44 -14.472 27.865 -22.545 1.00 0.00 C ATOM 0 HA PRO A 44 -14.454 29.813 -25.156 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.929 27.212 -25.773 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.753 28.173 -24.897 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.693 26.103 -23.807 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.040 26.414 -23.314 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.250 27.402 -21.938 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.665 28.146 -21.868 1.00 0.00 H new ATOM 694 N PHE A 45 -16.566 29.465 -26.284 1.00 0.00 N ATOM 695 CA PHE A 45 -17.737 29.294 -27.154 1.00 0.00 C ATOM 696 C PHE A 45 -17.325 28.859 -28.559 1.00 0.00 C ATOM 697 O PHE A 45 -16.388 29.407 -29.128 1.00 0.00 O ATOM 698 CB PHE A 45 -18.514 30.610 -27.237 1.00 0.00 C ATOM 699 CG PHE A 45 -19.302 30.931 -25.986 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.684 31.595 -24.909 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.660 30.569 -25.900 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.434 31.919 -23.769 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.403 30.883 -24.748 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.787 31.562 -23.684 1.00 0.00 C ATOM 0 H PHE A 45 -16.094 30.357 -26.431 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.367 28.515 -26.724 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.815 31.423 -27.434 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.198 30.565 -28.085 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.637 31.854 -24.961 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.132 30.049 -26.721 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.966 32.447 -22.951 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.444 30.603 -24.682 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.356 31.809 -22.800 1.00 0.00 H new ATOM 714 N ALA A 46 -18.071 27.947 -29.168 1.00 0.00 N ATOM 715 CA ALA A 46 -17.838 27.483 -30.540 1.00 0.00 C ATOM 716 C ALA A 46 -18.449 28.445 -31.571 1.00 0.00 C ATOM 717 O ALA A 46 -19.330 29.235 -31.242 1.00 0.00 O ATOM 718 CB ALA A 46 -18.370 26.053 -30.662 1.00 0.00 C ATOM 0 H ALA A 46 -18.870 27.498 -28.720 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.770 27.474 -30.758 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.206 25.689 -31.676 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.846 25.408 -29.956 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.437 26.042 -30.441 1.00 0.00 H new ATOM 724 N ASP A 47 -17.999 28.378 -32.825 1.00 0.00 N ATOM 725 CA ASP A 47 -18.422 29.262 -33.925 1.00 0.00 C ATOM 726 C ASP A 47 -19.940 29.233 -34.208 1.00 0.00 C ATOM 727 O ASP A 47 -20.491 30.185 -34.762 1.00 0.00 O ATOM 728 CB ASP A 47 -17.642 28.846 -35.178 1.00 0.00 C ATOM 729 CG ASP A 47 -17.905 29.760 -36.384 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.433 30.919 -36.358 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.536 29.304 -37.368 1.00 0.00 O ATOM 0 H ASP A 47 -17.308 27.687 -33.118 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.206 30.289 -33.632 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.576 28.850 -34.953 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.908 27.822 -35.441 1.00 0.00 H new ATOM 736 N ASP A 48 -20.630 28.167 -33.792 1.00 0.00 N ATOM 737 CA ASP A 48 -22.097 28.048 -33.896 1.00 0.00 C ATOM 738 C ASP A 48 -22.869 28.808 -32.797 1.00 0.00 C ATOM 739 O ASP A 48 -24.087 28.989 -32.892 1.00 0.00 O ATOM 740 CB ASP A 48 -22.493 26.569 -33.940 1.00 0.00 C ATOM 741 CG ASP A 48 -22.246 25.826 -32.618 1.00 0.00 C ATOM 742 OD1 ASP A 48 -21.132 25.282 -32.438 1.00 0.00 O ATOM 743 OD2 ASP A 48 -23.169 25.761 -31.770 1.00 0.00 O ATOM 0 H ASP A 48 -20.187 27.352 -33.369 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.388 28.533 -34.828 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -23.549 26.492 -34.198 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.934 26.075 -34.735 1.00 0.00 H new ATOM 748 N ALA A 49 -22.151 29.275 -31.774 1.00 0.00 N ATOM 749 CA ALA A 49 -22.645 30.055 -30.638 1.00 0.00 C ATOM 750 C ALA A 49 -22.009 31.460 -30.563 1.00 0.00 C ATOM 751 O ALA A 49 -20.913 31.696 -31.075 1.00 0.00 O ATOM 752 CB ALA A 49 -22.389 29.257 -29.353 1.00 0.00 C ATOM 0 H ALA A 49 -21.147 29.108 -31.713 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.714 30.222 -30.767 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.751 29.823 -28.495 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.914 28.303 -29.406 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.320 29.077 -29.244 1.00 0.00 H new ATOM 758 N GLU A 50 -22.681 32.397 -29.886 1.00 0.00 N ATOM 759 CA GLU A 50 -22.171 33.750 -29.612 1.00 0.00 C ATOM 760 C GLU A 50 -22.438 34.187 -28.166 1.00 0.00 C ATOM 761 O GLU A 50 -23.459 33.842 -27.573 1.00 0.00 O ATOM 762 CB GLU A 50 -22.741 34.785 -30.598 1.00 0.00 C ATOM 763 CG GLU A 50 -22.157 34.570 -31.997 1.00 0.00 C ATOM 764 CD GLU A 50 -22.530 35.666 -33.012 1.00 0.00 C ATOM 765 OE1 GLU A 50 -23.674 36.181 -33.003 1.00 0.00 O ATOM 766 OE2 GLU A 50 -21.658 35.991 -33.856 1.00 0.00 O ATOM 0 H GLU A 50 -23.613 32.236 -29.505 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.091 33.704 -29.752 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -23.827 34.702 -30.634 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.510 35.792 -30.252 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.071 34.516 -31.921 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.499 33.607 -32.377 1.00 0.00 H new ATOM 773 N ILE A 51 -21.489 34.958 -27.629 1.00 0.00 N ATOM 774 CA ILE A 51 -21.327 35.356 -26.224 1.00 0.00 C ATOM 775 C ILE A 51 -22.563 36.097 -25.680 1.00 0.00 C ATOM 776 O ILE A 51 -22.823 37.243 -26.068 1.00 0.00 O ATOM 777 CB ILE A 51 -20.071 36.238 -26.022 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.829 35.781 -26.828 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.728 36.344 -24.525 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.291 34.386 -26.506 1.00 0.00 C ATOM 0 H ILE A 51 -20.752 35.354 -28.212 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.207 34.429 -25.663 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.333 37.219 -26.419 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.077 35.816 -27.889 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.029 36.503 -26.664 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.843 36.967 -24.398 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.566 36.791 -23.990 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.532 35.349 -24.125 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.423 34.177 -27.131 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.001 34.341 -25.456 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.065 33.644 -26.700 1.00 0.00 H new ATOM 792 N PRO A 52 -23.326 35.473 -24.771 1.00 0.00 N ATOM 793 CA PRO A 52 -24.341 36.151 -23.979 1.00 0.00 C ATOM 794 C PRO A 52 -23.695 37.023 -22.886 1.00 0.00 C ATOM 795 O PRO A 52 -22.622 36.706 -22.367 1.00 0.00 O ATOM 796 CB PRO A 52 -25.192 35.021 -23.400 1.00 0.00 C ATOM 797 CG PRO A 52 -24.210 33.862 -23.257 1.00 0.00 C ATOM 798 CD PRO A 52 -23.181 34.091 -24.357 1.00 0.00 C ATOM 0 HA PRO A 52 -24.946 36.841 -24.567 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.626 35.299 -22.439 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.020 34.765 -24.061 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.743 33.858 -22.272 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.711 32.901 -23.377 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.172 33.899 -23.991 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.351 33.415 -25.195 1.00 0.00 H new ATOM 806 N GLY A 53 -24.377 38.108 -22.511 1.00 0.00 N ATOM 807 CA GLY A 53 -23.965 39.070 -21.473 1.00 0.00 C ATOM 808 C GLY A 53 -23.549 38.448 -20.131 1.00 0.00 C ATOM 809 O GLY A 53 -22.696 39.000 -19.430 1.00 0.00 O ATOM 0 H GLY A 53 -25.270 38.355 -22.938 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.131 39.658 -21.856 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.788 39.762 -21.295 1.00 0.00 H new ATOM 813 N THR A 54 -24.119 37.296 -19.768 1.00 0.00 N ATOM 814 CA THR A 54 -23.705 36.508 -18.600 1.00 0.00 C ATOM 815 C THR A 54 -23.709 34.992 -18.871 1.00 0.00 C ATOM 816 O THR A 54 -24.366 34.517 -19.802 1.00 0.00 O ATOM 817 CB THR A 54 -24.642 36.762 -17.398 1.00 0.00 C ATOM 818 OG1 THR A 54 -25.971 36.399 -17.722 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.743 38.225 -16.971 1.00 0.00 C ATOM 0 H THR A 54 -24.893 36.877 -20.284 1.00 0.00 H new ATOM 0 HA THR A 54 -22.688 36.832 -18.379 1.00 0.00 H new ATOM 0 HB THR A 54 -24.202 36.170 -16.596 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.552 36.564 -16.951 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.421 38.310 -16.122 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.756 38.590 -16.686 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.124 38.821 -17.801 1.00 0.00 H new ATOM 827 N TRP A 55 -22.971 34.223 -18.060 1.00 0.00 N ATOM 828 CA TRP A 55 -22.815 32.764 -18.185 1.00 0.00 C ATOM 829 C TRP A 55 -22.397 32.105 -16.854 1.00 0.00 C ATOM 830 O TRP A 55 -21.689 32.711 -16.052 1.00 0.00 O ATOM 831 CB TRP A 55 -21.779 32.454 -19.270 1.00 0.00 C ATOM 832 CG TRP A 55 -21.747 31.024 -19.713 1.00 0.00 C ATOM 833 CD1 TRP A 55 -20.946 30.066 -19.202 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.545 30.354 -20.739 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.136 28.879 -19.875 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.128 28.991 -20.825 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.574 30.764 -21.612 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.694 28.086 -21.736 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.160 29.863 -22.523 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.720 28.528 -22.589 1.00 0.00 C ATOM 0 H TRP A 55 -22.449 34.609 -17.273 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.784 32.348 -18.461 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -21.980 33.084 -20.136 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.791 32.728 -18.899 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.256 30.209 -18.384 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.609 28.025 -19.693 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.919 31.787 -21.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.346 27.065 -21.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.952 30.199 -23.175 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.170 27.844 -23.294 1.00 0.00 H new ATOM 851 N LEU A 56 -22.818 30.862 -16.594 1.00 0.00 N ATOM 852 CA LEU A 56 -22.499 30.129 -15.361 1.00 0.00 C ATOM 853 C LEU A 56 -21.010 29.731 -15.294 1.00 0.00 C ATOM 854 O LEU A 56 -20.481 29.082 -16.200 1.00 0.00 O ATOM 855 CB LEU A 56 -23.434 28.907 -15.246 1.00 0.00 C ATOM 856 CG LEU A 56 -24.085 28.741 -13.863 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.180 27.676 -13.922 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.076 28.312 -12.802 1.00 0.00 C ATOM 0 H LEU A 56 -23.398 30.329 -17.242 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.668 30.783 -14.505 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.219 28.992 -15.997 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.867 28.006 -15.479 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.497 29.713 -13.592 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.634 27.566 -12.937 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.941 27.977 -14.642 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.746 26.724 -14.229 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.580 28.207 -11.841 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.634 27.357 -13.086 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.292 29.065 -12.720 1.00 0.00 H new ATOM 870 N CYS A 57 -20.340 30.098 -14.203 1.00 0.00 N ATOM 871 CA CYS A 57 -18.917 29.841 -13.966 1.00 0.00 C ATOM 872 C CYS A 57 -18.669 28.551 -13.169 1.00 0.00 C ATOM 873 O CYS A 57 -19.561 28.039 -12.488 1.00 0.00 O ATOM 874 CB CYS A 57 -18.309 31.045 -13.239 1.00 0.00 C ATOM 875 SG CYS A 57 -18.182 32.452 -14.368 1.00 0.00 S ATOM 0 H CYS A 57 -20.785 30.599 -13.434 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.436 29.699 -14.934 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.926 31.312 -12.381 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.322 30.787 -12.854 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.667 33.467 -13.740 1.00 0.00 H new ATOM 881 N ARG A 58 -17.420 28.060 -13.181 1.00 0.00 N ATOM 882 CA ARG A 58 -17.028 26.792 -12.529 1.00 0.00 C ATOM 883 C ARG A 58 -17.080 26.825 -10.992 1.00 0.00 C ATOM 884 O ARG A 58 -17.107 25.763 -10.369 1.00 0.00 O ATOM 885 CB ARG A 58 -15.643 26.323 -13.017 1.00 0.00 C ATOM 886 CG ARG A 58 -15.520 26.219 -14.548 1.00 0.00 C ATOM 887 CD ARG A 58 -14.156 25.663 -14.982 1.00 0.00 C ATOM 888 NE ARG A 58 -13.986 24.243 -14.610 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.870 23.537 -14.675 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.748 24.047 -15.100 1.00 0.00 N ATOM 891 NH2 ARG A 58 -12.860 22.287 -14.311 1.00 0.00 N ATOM 0 H ARG A 58 -16.645 28.532 -13.646 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.784 26.068 -12.834 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.886 27.015 -12.648 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.425 25.349 -12.578 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.312 25.576 -14.932 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.667 27.204 -14.991 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.050 25.769 -16.062 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.363 26.254 -14.524 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.815 23.757 -14.268 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.711 25.022 -15.397 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.907 23.471 -15.136 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.716 21.847 -13.973 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.996 21.747 -14.363 1.00 0.00 H new ATOM 905 N ASN A 59 -17.167 28.012 -10.375 1.00 0.00 N ATOM 906 CA ASN A 59 -17.462 28.151 -8.938 1.00 0.00 C ATOM 907 C ASN A 59 -18.917 27.733 -8.583 1.00 0.00 C ATOM 908 O ASN A 59 -19.242 27.440 -7.433 1.00 0.00 O ATOM 909 CB ASN A 59 -17.194 29.616 -8.546 1.00 0.00 C ATOM 910 CG ASN A 59 -17.466 29.978 -7.089 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.361 29.176 -6.172 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.795 31.224 -6.830 1.00 0.00 N ATOM 0 H ASN A 59 -17.035 28.902 -10.855 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.818 27.477 -8.373 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.152 29.846 -8.769 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.805 30.259 -9.180 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.961 31.518 -5.868 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.884 31.897 -7.591 1.00 0.00 H new ATOM 919 N GLY A 60 -19.792 27.653 -9.589 1.00 0.00 N ATOM 920 CA GLY A 60 -21.220 27.334 -9.456 1.00 0.00 C ATOM 921 C GLY A 60 -22.120 28.570 -9.316 1.00 0.00 C ATOM 922 O GLY A 60 -23.290 28.436 -8.950 1.00 0.00 O ATOM 0 H GLY A 60 -19.516 27.815 -10.558 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.538 26.762 -10.327 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.360 26.693 -8.585 1.00 0.00 H new ATOM 926 N MET A 61 -21.587 29.765 -9.602 1.00 0.00 N ATOM 927 CA MET A 61 -22.302 31.042 -9.608 1.00 0.00 C ATOM 928 C MET A 61 -22.435 31.599 -11.031 1.00 0.00 C ATOM 929 O MET A 61 -21.558 31.402 -11.873 1.00 0.00 O ATOM 930 CB MET A 61 -21.585 32.022 -8.665 1.00 0.00 C ATOM 931 CG MET A 61 -22.375 33.313 -8.400 1.00 0.00 C ATOM 932 SD MET A 61 -24.083 33.079 -7.828 1.00 0.00 S ATOM 933 CE MET A 61 -24.659 34.798 -7.835 1.00 0.00 C ATOM 0 H MET A 61 -20.602 29.870 -9.846 1.00 0.00 H new ATOM 0 HA MET A 61 -23.319 30.892 -9.245 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.392 31.523 -7.715 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.616 32.280 -9.092 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.838 33.901 -7.656 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.395 33.901 -9.317 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.717 34.828 -7.576 1.00 0.00 H new ATOM 0 HE2 MET A 61 -24.090 35.375 -7.106 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.516 35.226 -8.827 1.00 0.00 H new ATOM 943 N GLU A 62 -23.515 32.331 -11.300 1.00 0.00 N ATOM 944 CA GLU A 62 -23.699 33.074 -12.551 1.00 0.00 C ATOM 945 C GLU A 62 -22.665 34.207 -12.648 1.00 0.00 C ATOM 946 O GLU A 62 -22.715 35.185 -11.897 1.00 0.00 O ATOM 947 CB GLU A 62 -25.136 33.611 -12.653 1.00 0.00 C ATOM 948 CG GLU A 62 -26.163 32.481 -12.810 1.00 0.00 C ATOM 949 CD GLU A 62 -27.590 33.046 -12.945 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.269 33.251 -11.908 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.050 33.284 -14.089 1.00 0.00 O ATOM 0 H GLU A 62 -24.296 32.427 -10.651 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.540 32.400 -13.393 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.370 34.192 -11.761 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.210 34.289 -13.503 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.920 31.884 -13.689 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.112 31.816 -11.948 1.00 0.00 H new ATOM 958 N GLY A 63 -21.706 34.059 -13.563 1.00 0.00 N ATOM 959 CA GLY A 63 -20.697 35.064 -13.878 1.00 0.00 C ATOM 960 C GLY A 63 -21.201 36.093 -14.892 1.00 0.00 C ATOM 961 O GLY A 63 -21.976 35.764 -15.793 1.00 0.00 O ATOM 0 H GLY A 63 -21.609 33.210 -14.120 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.398 35.575 -12.963 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.808 34.572 -14.273 1.00 0.00 H new ATOM 965 N THR A 64 -20.720 37.333 -14.799 1.00 0.00 N ATOM 966 CA THR A 64 -20.994 38.389 -15.790 1.00 0.00 C ATOM 967 C THR A 64 -19.774 38.666 -16.657 1.00 0.00 C ATOM 968 O THR A 64 -18.653 38.679 -16.154 1.00 0.00 O ATOM 969 CB THR A 64 -21.458 39.689 -15.118 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.602 39.447 -14.324 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.834 40.787 -16.121 1.00 0.00 C ATOM 0 H THR A 64 -20.124 37.641 -14.030 1.00 0.00 H new ATOM 0 HA THR A 64 -21.800 38.022 -16.426 1.00 0.00 H new ATOM 0 HB THR A 64 -20.611 40.029 -14.522 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.888 40.282 -13.899 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.153 41.679 -15.582 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.969 41.027 -16.739 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.648 40.437 -16.756 1.00 0.00 H new ATOM 979 N LEU A 65 -19.990 38.887 -17.954 1.00 0.00 N ATOM 980 CA LEU A 65 -18.954 39.131 -18.956 1.00 0.00 C ATOM 981 C LEU A 65 -18.087 40.366 -18.629 1.00 0.00 C ATOM 982 O LEU A 65 -18.607 41.477 -18.496 1.00 0.00 O ATOM 983 CB LEU A 65 -19.686 39.260 -20.307 1.00 0.00 C ATOM 984 CG LEU A 65 -18.788 39.288 -21.552 1.00 0.00 C ATOM 985 CD1 LEU A 65 -18.206 37.924 -21.858 1.00 0.00 C ATOM 986 CD2 LEU A 65 -19.597 39.742 -22.768 1.00 0.00 C ATOM 0 H LEU A 65 -20.930 38.901 -18.350 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.240 38.308 -18.980 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.382 38.427 -20.403 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.281 40.173 -20.291 1.00 0.00 H new ATOM 0 HG LEU A 65 -17.974 39.982 -21.344 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.577 37.988 -22.746 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.607 37.586 -21.012 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.015 37.215 -22.036 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.953 39.759 -23.647 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.422 39.049 -22.936 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -19.993 40.741 -22.589 1.00 0.00 H new ATOM 998 N ILE A 66 -16.765 40.172 -18.526 1.00 0.00 N ATOM 999 CA ILE A 66 -15.756 41.222 -18.267 1.00 0.00 C ATOM 1000 C ILE A 66 -14.580 41.155 -19.254 1.00 0.00 C ATOM 1001 O ILE A 66 -14.250 40.095 -19.787 1.00 0.00 O ATOM 1002 CB ILE A 66 -15.234 41.226 -16.801 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.341 40.030 -16.386 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -16.375 41.422 -15.793 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -14.936 38.654 -16.594 1.00 0.00 C ATOM 0 H ILE A 66 -16.348 39.246 -18.624 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.281 42.164 -18.423 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.566 42.087 -16.778 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.407 40.088 -16.945 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -14.089 40.139 -15.331 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.971 41.419 -14.781 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.869 42.375 -15.984 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -17.096 40.612 -15.898 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.223 37.896 -16.269 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.853 38.562 -16.012 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.161 38.511 -17.651 1.00 0.00 H new ATOM 1017 N GLU A 67 -13.917 42.293 -19.474 1.00 0.00 N ATOM 1018 CA GLU A 67 -12.678 42.381 -20.259 1.00 0.00 C ATOM 1019 C GLU A 67 -11.455 42.034 -19.388 1.00 0.00 C ATOM 1020 O GLU A 67 -11.241 42.640 -18.334 1.00 0.00 O ATOM 1021 CB GLU A 67 -12.528 43.782 -20.879 1.00 0.00 C ATOM 1022 CG GLU A 67 -13.611 44.088 -21.922 1.00 0.00 C ATOM 1023 CD GLU A 67 -13.402 45.486 -22.536 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -12.667 45.609 -23.547 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -13.974 46.477 -22.015 1.00 0.00 O ATOM 0 H GLU A 67 -14.228 43.193 -19.108 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.734 41.654 -21.069 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.569 44.531 -20.088 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.546 43.865 -21.346 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.588 43.334 -22.708 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.595 44.034 -21.457 1.00 0.00 H new ATOM 1032 N GLY A 68 -10.647 41.064 -19.827 1.00 0.00 N ATOM 1033 CA GLY A 68 -9.470 40.583 -19.085 1.00 0.00 C ATOM 1034 C GLY A 68 -8.857 39.294 -19.644 1.00 0.00 C ATOM 1035 O GLY A 68 -8.414 38.443 -18.873 1.00 0.00 O ATOM 0 H GLY A 68 -10.790 40.584 -20.716 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.710 41.364 -19.087 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.753 40.416 -18.046 1.00 0.00 H new ATOM 1039 N ASP A 69 -8.889 39.105 -20.965 1.00 0.00 N ATOM 1040 CA ASP A 69 -8.472 37.896 -21.678 1.00 0.00 C ATOM 1041 C ASP A 69 -7.792 38.281 -23.017 1.00 0.00 C ATOM 1042 O ASP A 69 -7.323 39.413 -23.186 1.00 0.00 O ATOM 1043 CB ASP A 69 -9.710 36.992 -21.852 1.00 0.00 C ATOM 1044 CG ASP A 69 -9.305 35.518 -22.010 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -9.056 34.849 -20.983 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -9.190 35.058 -23.167 1.00 0.00 O ATOM 0 H ASP A 69 -9.224 39.830 -21.600 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.726 37.335 -21.115 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.367 37.101 -20.989 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -10.277 37.312 -22.726 1.00 0.00 H new ATOM 1051 N LEU A 70 -7.719 37.350 -23.968 1.00 0.00 N ATOM 1052 CA LEU A 70 -7.280 37.575 -25.351 1.00 0.00 C ATOM 1053 C LEU A 70 -8.113 38.684 -26.043 1.00 0.00 C ATOM 1054 O LEU A 70 -9.277 38.889 -25.678 1.00 0.00 O ATOM 1055 CB LEU A 70 -7.349 36.244 -26.134 1.00 0.00 C ATOM 1056 CG LEU A 70 -6.162 35.267 -25.990 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -4.898 35.808 -26.660 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -5.815 34.896 -24.547 1.00 0.00 C ATOM 0 H LEU A 70 -7.974 36.378 -23.792 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.248 37.925 -25.338 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.254 35.720 -25.827 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.462 36.482 -27.192 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.508 34.363 -26.491 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.086 35.092 -26.537 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.087 35.963 -27.722 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.619 36.756 -26.199 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.971 34.207 -24.542 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.552 35.797 -23.993 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.675 34.419 -24.077 1.00 0.00 H new ATOM 1070 N PRO A 71 -7.552 39.392 -27.048 1.00 0.00 N ATOM 1071 CA PRO A 71 -8.233 40.464 -27.779 1.00 0.00 C ATOM 1072 C PRO A 71 -9.288 39.891 -28.745 1.00 0.00 C ATOM 1073 O PRO A 71 -9.079 39.795 -29.955 1.00 0.00 O ATOM 1074 CB PRO A 71 -7.109 41.255 -28.463 1.00 0.00 C ATOM 1075 CG PRO A 71 -6.051 40.188 -28.734 1.00 0.00 C ATOM 1076 CD PRO A 71 -6.176 39.271 -27.519 1.00 0.00 C ATOM 0 HA PRO A 71 -8.810 41.126 -27.133 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -7.451 41.727 -29.384 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.726 42.049 -27.821 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.244 39.655 -29.665 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -5.053 40.619 -28.814 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.947 38.239 -27.786 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.472 39.562 -26.739 1.00 0.00 H new ATOM 1084 N GLU A 72 -10.422 39.483 -28.172 1.00 0.00 N ATOM 1085 CA GLU A 72 -11.605 38.892 -28.798 1.00 0.00 C ATOM 1086 C GLU A 72 -11.290 37.849 -29.900 1.00 0.00 C ATOM 1087 O GLU A 72 -11.452 38.135 -31.092 1.00 0.00 O ATOM 1088 CB GLU A 72 -12.517 40.037 -29.261 1.00 0.00 C ATOM 1089 CG GLU A 72 -13.126 40.835 -28.099 1.00 0.00 C ATOM 1090 CD GLU A 72 -14.035 41.962 -28.627 1.00 0.00 C ATOM 1091 OE1 GLU A 72 -13.520 43.055 -28.970 1.00 0.00 O ATOM 1092 OE2 GLU A 72 -15.270 41.764 -28.716 1.00 0.00 O ATOM 0 H GLU A 72 -10.546 39.566 -27.163 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.133 38.290 -28.059 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.946 40.713 -29.897 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -13.321 39.627 -29.872 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.701 40.169 -27.456 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.330 41.260 -27.487 1.00 0.00 H new ATOM 1099 N PRO A 73 -10.853 36.624 -29.533 1.00 0.00 N ATOM 1100 CA PRO A 73 -10.696 35.511 -30.474 1.00 0.00 C ATOM 1101 C PRO A 73 -11.896 35.312 -31.418 1.00 0.00 C ATOM 1102 O PRO A 73 -13.054 35.282 -30.991 1.00 0.00 O ATOM 1103 CB PRO A 73 -10.438 34.274 -29.610 1.00 0.00 C ATOM 1104 CG PRO A 73 -9.704 34.865 -28.412 1.00 0.00 C ATOM 1105 CD PRO A 73 -10.379 36.224 -28.209 1.00 0.00 C ATOM 0 HA PRO A 73 -9.871 35.716 -31.156 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.365 33.782 -29.317 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.834 33.532 -30.132 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.803 34.233 -27.530 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.637 34.973 -28.609 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.205 36.151 -27.502 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.678 36.955 -27.806 1.00 0.00 H new ATOM 1113 N LYS A 74 -11.590 35.195 -32.717 1.00 0.00 N ATOM 1114 CA LYS A 74 -12.529 35.158 -33.859 1.00 0.00 C ATOM 1115 C LYS A 74 -13.601 36.271 -33.844 1.00 0.00 C ATOM 1116 O LYS A 74 -14.790 36.024 -34.062 1.00 0.00 O ATOM 1117 CB LYS A 74 -13.061 33.723 -34.078 1.00 0.00 C ATOM 1118 CG LYS A 74 -13.572 33.520 -35.518 1.00 0.00 C ATOM 1119 CD LYS A 74 -13.910 32.051 -35.809 1.00 0.00 C ATOM 1120 CE LYS A 74 -14.560 31.866 -37.190 1.00 0.00 C ATOM 1121 NZ LYS A 74 -13.656 32.227 -38.316 1.00 0.00 N ATOM 0 H LYS A 74 -10.620 35.118 -33.024 1.00 0.00 H new ATOM 0 HA LYS A 74 -11.965 35.414 -34.756 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.268 33.005 -33.868 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.868 33.522 -33.373 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.458 34.134 -35.678 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.815 33.864 -36.223 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.000 31.453 -35.755 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.584 31.676 -35.039 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.872 30.828 -37.301 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.461 32.477 -37.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.098 32.972 -38.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.751 32.573 -37.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.486 31.388 -38.907 1.00 0.00 H new ATOM 1135 N LYS A 75 -13.176 37.523 -33.622 1.00 0.00 N ATOM 1136 CA LYS A 75 -13.987 38.728 -33.884 1.00 0.00 C ATOM 1137 C LYS A 75 -14.197 38.895 -35.393 1.00 0.00 C ATOM 1138 O LYS A 75 -13.222 38.961 -36.145 1.00 0.00 O ATOM 1139 CB LYS A 75 -13.317 39.957 -33.249 1.00 0.00 C ATOM 1140 CG LYS A 75 -14.215 41.202 -33.274 1.00 0.00 C ATOM 1141 CD LYS A 75 -13.562 42.338 -32.475 1.00 0.00 C ATOM 1142 CE LYS A 75 -14.529 43.514 -32.295 1.00 0.00 C ATOM 1143 NZ LYS A 75 -13.995 44.496 -31.319 1.00 0.00 N ATOM 0 H LYS A 75 -12.249 37.733 -33.251 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.971 38.621 -33.427 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.050 39.727 -32.217 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.389 40.173 -33.778 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -14.381 41.520 -34.303 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -15.191 40.964 -32.852 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.250 41.967 -31.499 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.663 42.678 -32.989 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.695 44.003 -33.255 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.496 43.145 -31.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.667 45.282 -31.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.859 44.032 -30.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.083 44.863 -31.659 1.00 0.00 H new ATOM 1157 N VAL A 76 -15.462 38.953 -35.817 1.00 0.00 N ATOM 1158 CA VAL A 76 -15.941 38.678 -37.191 1.00 0.00 C ATOM 1159 C VAL A 76 -15.629 37.241 -37.647 1.00 0.00 C ATOM 1160 O VAL A 76 -14.508 36.745 -37.513 1.00 0.00 O ATOM 1161 CB VAL A 76 -15.468 39.715 -38.234 1.00 0.00 C ATOM 1162 CG1 VAL A 76 -16.242 39.570 -39.552 1.00 0.00 C ATOM 1163 CG2 VAL A 76 -15.650 41.162 -37.751 1.00 0.00 C ATOM 0 H VAL A 76 -16.224 39.205 -35.187 1.00 0.00 H new ATOM 0 HA VAL A 76 -17.025 38.778 -37.134 1.00 0.00 H new ATOM 0 HB VAL A 76 -14.407 39.514 -38.384 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -15.887 40.313 -40.266 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.084 38.571 -39.959 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -17.305 39.723 -39.368 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -15.302 41.849 -38.522 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -16.705 41.348 -37.548 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -15.073 41.317 -36.839 1.00 0.00 H new ATOM 1173 N LYS A 77 -16.644 36.564 -38.195 1.00 0.00 N ATOM 1174 CA LYS A 77 -16.588 35.153 -38.617 1.00 0.00 C ATOM 1175 C LYS A 77 -16.013 34.938 -40.028 1.00 0.00 C ATOM 1176 O LYS A 77 -15.009 34.224 -40.123 1.00 0.00 O ATOM 1177 CB LYS A 77 -17.935 34.451 -38.354 1.00 0.00 C ATOM 1178 CG LYS A 77 -18.157 34.308 -36.839 1.00 0.00 C ATOM 1179 CD LYS A 77 -19.494 33.635 -36.497 1.00 0.00 C ATOM 1180 CE LYS A 77 -19.534 33.212 -35.022 1.00 0.00 C ATOM 1181 NZ LYS A 77 -19.391 34.360 -34.094 1.00 0.00 N ATOM 0 H LYS A 77 -17.555 36.991 -38.364 1.00 0.00 H new ATOM 0 HA LYS A 77 -15.850 34.656 -37.986 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.748 35.025 -38.798 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.943 33.469 -38.827 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -17.342 33.726 -36.410 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -18.122 35.294 -36.376 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.315 34.322 -36.705 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.640 32.762 -37.134 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.476 32.702 -34.820 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.736 32.495 -34.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -19.104 34.014 -33.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -18.668 35.013 -34.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -20.300 34.859 -34.016 1.00 0.00 H new ATOM 1195 N PRO A 78 -16.594 35.492 -41.116 1.00 0.00 N ATOM 1196 CA PRO A 78 -15.985 35.439 -42.451 1.00 0.00 C ATOM 1197 C PRO A 78 -14.611 36.150 -42.499 1.00 0.00 C ATOM 1198 O PRO A 78 -14.334 37.009 -41.654 1.00 0.00 O ATOM 1199 CB PRO A 78 -17.005 36.089 -43.395 1.00 0.00 C ATOM 1200 CG PRO A 78 -17.771 37.045 -42.485 1.00 0.00 C ATOM 1201 CD PRO A 78 -17.824 36.275 -41.168 1.00 0.00 C ATOM 0 HA PRO A 78 -15.771 34.412 -42.745 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -16.515 36.618 -44.212 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -17.665 35.348 -43.845 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -17.258 38.001 -42.376 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -18.768 37.260 -42.870 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -17.890 36.956 -40.319 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -18.701 35.629 -41.128 1.00 0.00 H new ATOM 1209 N PRO A 79 -13.737 35.813 -43.470 1.00 0.00 N ATOM 1210 CA PRO A 79 -12.368 36.334 -43.538 1.00 0.00 C ATOM 1211 C PRO A 79 -12.314 37.854 -43.776 1.00 0.00 C ATOM 1212 O PRO A 79 -13.044 38.403 -44.609 1.00 0.00 O ATOM 1213 CB PRO A 79 -11.678 35.541 -44.655 1.00 0.00 C ATOM 1214 CG PRO A 79 -12.835 35.104 -45.553 1.00 0.00 C ATOM 1215 CD PRO A 79 -13.966 34.869 -44.554 1.00 0.00 C ATOM 0 HA PRO A 79 -11.857 36.203 -42.584 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -10.959 36.155 -45.198 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -11.131 34.685 -44.260 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -13.093 35.871 -46.283 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -12.594 34.200 -46.112 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.939 35.034 -45.018 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -13.958 33.842 -44.188 1.00 0.00 H new ATOM 1223 N ARG A 80 -11.422 38.521 -43.034 1.00 0.00 N ATOM 1224 CA ARG A 80 -11.172 39.977 -43.023 1.00 0.00 C ATOM 1225 C ARG A 80 -9.756 40.300 -42.532 1.00 0.00 C ATOM 1226 O ARG A 80 -9.225 39.520 -41.707 1.00 0.00 O ATOM 1227 CB ARG A 80 -12.265 40.710 -42.205 1.00 0.00 C ATOM 1228 CG ARG A 80 -12.573 40.167 -40.794 1.00 0.00 C ATOM 1229 CD ARG A 80 -11.602 40.613 -39.690 1.00 0.00 C ATOM 1230 NE ARG A 80 -11.586 39.649 -38.575 1.00 0.00 N ATOM 1231 CZ ARG A 80 -10.825 38.579 -38.463 1.00 0.00 C ATOM 1232 NH1 ARG A 80 -9.898 38.260 -39.320 1.00 0.00 N ATOM 1233 NH2 ARG A 80 -11.005 37.789 -37.450 1.00 0.00 N ATOM 1234 OXT ARG A 80 -9.189 41.321 -42.980 1.00 0.00 O ATOM 0 H ARG A 80 -10.812 38.030 -42.380 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.232 40.345 -44.047 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -11.970 41.755 -42.108 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.189 40.692 -42.783 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -13.580 40.477 -40.516 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -12.575 39.078 -40.835 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -10.598 40.713 -40.103 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -11.894 41.596 -39.320 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.233 39.830 -37.808 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -9.729 38.853 -40.133 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -9.341 37.418 -39.178 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -11.725 38.001 -36.759 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -10.427 36.955 -37.344 1.00 0.00 H new TER 1248 ARG A 80