USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 778 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 50 ASN : amide:sc= -0.745 K(o=-1.7,f=-7.9!) USER MOD Set 1.2: A 88 GLN :FLIP amide:sc= -0.92 F(o=-3.7,f=-1.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -141:sc= -0.0336 (180deg=-0.839) USER MOD Single : A 4 HIS : no HD1:sc= -0.283 X(o=-0.28,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 166:sc= -0.0655 (180deg=-0.39) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -57:sc= 1.11 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot -40:sc= 1.12 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 43 LYS NZ :NH3+ -157:sc= -1.55 (180deg=-2.71!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.183 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -1.76 F(o=-3.1,f=-1.8) USER MOD Single : A 60 THR OG1 : rot 110:sc= -0.202 USER MOD Single : A 62 MET CE :methyl -157:sc= -0.161 (180deg=-0.753) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.515 X(o=-0.52,f=-0.042) USER MOD Single : A 79 GLN : amide:sc= -1.64 K(o=-1.6,f=-2.7!) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.294 -18.320 -6.018 1.00 0.00 N ATOM 2 CA MET A 1 15.338 -17.907 -4.959 1.00 0.00 C ATOM 3 C MET A 1 15.470 -16.415 -4.659 1.00 0.00 C ATOM 4 O MET A 1 15.998 -16.029 -3.615 1.00 0.00 O ATOM 5 CB MET A 1 15.585 -18.718 -3.685 1.00 0.00 C ATOM 6 CG MET A 1 15.550 -20.222 -3.906 1.00 0.00 C ATOM 7 SD MET A 1 13.995 -20.784 -4.624 1.00 0.00 S ATOM 8 CE MET A 1 14.324 -22.535 -4.815 1.00 0.00 C ATOM 0 H1 MET A 1 15.836 -19.008 -6.650 1.00 0.00 H new ATOM 0 H2 MET A 1 16.585 -17.486 -6.567 1.00 0.00 H new ATOM 0 H3 MET A 1 17.131 -18.756 -5.580 1.00 0.00 H new ATOM 0 HA MET A 1 14.327 -18.098 -5.317 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.555 -18.442 -3.271 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.833 -18.450 -2.942 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.372 -20.508 -4.562 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.710 -20.729 -2.954 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.452 -23.024 -5.249 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.183 -22.674 -5.472 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.538 -22.974 -3.840 1.00 0.00 H new ATOM 20 N PRO A 2 14.992 -15.554 -5.576 1.00 0.00 N ATOM 21 CA PRO A 2 15.062 -14.099 -5.404 1.00 0.00 C ATOM 22 C PRO A 2 14.167 -13.600 -4.275 1.00 0.00 C ATOM 23 O PRO A 2 14.331 -12.478 -3.792 1.00 0.00 O ATOM 24 CB PRO A 2 14.577 -13.554 -6.750 1.00 0.00 C ATOM 25 CG PRO A 2 13.730 -14.639 -7.316 1.00 0.00 C ATOM 26 CD PRO A 2 14.345 -15.928 -6.848 1.00 0.00 C ATOM 0 HA PRO A 2 16.066 -13.773 -5.134 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.008 -12.633 -6.622 1.00 0.00 H new ATOM 0 HB3 PRO A 2 15.415 -13.322 -7.408 1.00 0.00 H new ATOM 0 HG2 PRO A 2 12.700 -14.550 -6.972 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.708 -14.589 -8.405 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.593 -16.703 -6.704 1.00 0.00 H new ATOM 0 HD3 PRO A 2 15.067 -16.314 -7.568 1.00 0.00 H new ATOM 34 N PHE A 3 13.221 -14.435 -3.857 1.00 0.00 N ATOM 35 CA PHE A 3 12.303 -14.071 -2.785 1.00 0.00 C ATOM 36 C PHE A 3 12.907 -14.379 -1.418 1.00 0.00 C ATOM 37 O PHE A 3 12.383 -13.956 -0.388 1.00 0.00 O ATOM 38 CB PHE A 3 10.969 -14.804 -2.948 1.00 0.00 C ATOM 39 CG PHE A 3 11.102 -16.300 -3.018 1.00 0.00 C ATOM 40 CD1 PHE A 3 11.123 -17.062 -1.860 1.00 0.00 C ATOM 41 CD2 PHE A 3 11.201 -16.942 -4.240 1.00 0.00 C ATOM 42 CE1 PHE A 3 11.242 -18.438 -1.922 1.00 0.00 C ATOM 43 CE2 PHE A 3 11.319 -18.318 -4.309 1.00 0.00 C ATOM 44 CZ PHE A 3 11.340 -19.066 -3.148 1.00 0.00 C ATOM 0 H PHE A 3 13.071 -15.367 -4.244 1.00 0.00 H new ATOM 0 HA PHE A 3 12.125 -12.997 -2.847 1.00 0.00 H new ATOM 0 HB2 PHE A 3 10.319 -14.545 -2.112 1.00 0.00 H new ATOM 0 HB3 PHE A 3 10.479 -14.450 -3.855 1.00 0.00 H new ATOM 0 HD1 PHE A 3 11.046 -16.575 -0.899 1.00 0.00 H new ATOM 0 HD2 PHE A 3 11.186 -16.361 -5.151 1.00 0.00 H new ATOM 0 HE1 PHE A 3 11.258 -19.021 -1.013 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.395 -18.807 -5.269 1.00 0.00 H new ATOM 0 HZ PHE A 3 11.433 -20.141 -3.199 1.00 0.00 H new ATOM 54 N HIS A 4 14.012 -15.120 -1.418 1.00 0.00 N ATOM 55 CA HIS A 4 14.686 -15.483 -0.177 1.00 0.00 C ATOM 56 C HIS A 4 15.707 -14.413 0.215 1.00 0.00 C ATOM 57 O HIS A 4 16.561 -14.045 -0.591 1.00 0.00 O ATOM 58 CB HIS A 4 15.382 -16.838 -0.326 1.00 0.00 C ATOM 59 CG HIS A 4 15.939 -17.370 0.959 1.00 0.00 C ATOM 60 ND1 HIS A 4 17.287 -17.388 1.247 1.00 0.00 N ATOM 61 CD2 HIS A 4 15.318 -17.905 2.037 1.00 0.00 C ATOM 62 CE1 HIS A 4 17.473 -17.914 2.446 1.00 0.00 C ATOM 63 NE2 HIS A 4 16.294 -18.233 2.945 1.00 0.00 N ATOM 0 H HIS A 4 14.458 -15.480 -2.262 1.00 0.00 H new ATOM 0 HA HIS A 4 13.936 -15.555 0.610 1.00 0.00 H new ATOM 0 HB2 HIS A 4 14.672 -17.559 -0.731 1.00 0.00 H new ATOM 0 HB3 HIS A 4 16.190 -16.744 -1.052 1.00 0.00 H new ATOM 0 HD2 HIS A 4 14.254 -18.047 2.159 1.00 0.00 H new ATOM 0 HE1 HIS A 4 18.426 -18.058 2.933 1.00 0.00 H new ATOM 0 HE2 HIS A 4 16.133 -18.656 3.859 1.00 0.00 H new ATOM 72 N PRO A 5 15.639 -13.901 1.461 1.00 0.00 N ATOM 73 CA PRO A 5 16.568 -12.871 1.937 1.00 0.00 C ATOM 74 C PRO A 5 17.968 -13.423 2.178 1.00 0.00 C ATOM 75 O PRO A 5 18.144 -14.402 2.904 1.00 0.00 O ATOM 76 CB PRO A 5 15.941 -12.407 3.251 1.00 0.00 C ATOM 77 CG PRO A 5 15.171 -13.586 3.734 1.00 0.00 C ATOM 78 CD PRO A 5 14.663 -14.284 2.502 1.00 0.00 C ATOM 0 HA PRO A 5 16.700 -12.071 1.208 1.00 0.00 H new ATOM 0 HB2 PRO A 5 16.703 -12.109 3.971 1.00 0.00 H new ATOM 0 HB3 PRO A 5 15.292 -11.545 3.098 1.00 0.00 H new ATOM 0 HG2 PRO A 5 15.803 -14.249 4.325 1.00 0.00 H new ATOM 0 HG3 PRO A 5 14.346 -13.277 4.375 1.00 0.00 H new ATOM 0 HD2 PRO A 5 14.626 -15.365 2.639 1.00 0.00 H new ATOM 0 HD3 PRO A 5 13.654 -13.961 2.245 1.00 0.00 H new ATOM 86 N VAL A 6 18.961 -12.787 1.565 1.00 0.00 N ATOM 87 CA VAL A 6 20.347 -13.211 1.708 1.00 0.00 C ATOM 88 C VAL A 6 21.171 -12.149 2.432 1.00 0.00 C ATOM 89 O VAL A 6 20.854 -10.961 2.377 1.00 0.00 O ATOM 90 CB VAL A 6 20.984 -13.504 0.335 1.00 0.00 C ATOM 91 CG1 VAL A 6 22.390 -14.063 0.498 1.00 0.00 C ATOM 92 CG2 VAL A 6 20.113 -14.464 -0.463 1.00 0.00 C ATOM 0 H VAL A 6 18.830 -11.974 0.963 1.00 0.00 H new ATOM 0 HA VAL A 6 20.346 -14.127 2.299 1.00 0.00 H new ATOM 0 HB VAL A 6 21.055 -12.566 -0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 6 22.819 -14.262 -0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 6 23.011 -13.338 1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 6 22.349 -14.990 1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 6 20.578 -14.660 -1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 6 20.007 -15.400 0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 6 19.129 -14.020 -0.617 1.00 0.00 H new ATOM 102 N THR A 7 22.226 -12.591 3.114 1.00 0.00 N ATOM 103 CA THR A 7 23.104 -11.689 3.854 1.00 0.00 C ATOM 104 C THR A 7 22.357 -11.008 4.995 1.00 0.00 C ATOM 105 O THR A 7 21.810 -9.916 4.831 1.00 0.00 O ATOM 106 CB THR A 7 23.721 -10.614 2.937 1.00 0.00 C ATOM 107 OG1 THR A 7 24.359 -11.236 1.814 1.00 0.00 O ATOM 108 CG2 THR A 7 24.735 -9.771 3.696 1.00 0.00 C ATOM 0 H THR A 7 22.494 -13.574 3.169 1.00 0.00 H new ATOM 0 HA THR A 7 23.907 -12.301 4.264 1.00 0.00 H new ATOM 0 HB THR A 7 22.919 -9.964 2.587 1.00 0.00 H new ATOM 0 HG1 THR A 7 24.747 -10.547 1.235 1.00 0.00 H new ATOM 0 HG21 THR A 7 25.156 -9.020 3.028 1.00 0.00 H new ATOM 0 HG22 THR A 7 24.243 -9.277 4.534 1.00 0.00 H new ATOM 0 HG23 THR A 7 25.533 -10.412 4.071 1.00 0.00 H new ATOM 116 N ALA A 8 22.340 -11.661 6.153 1.00 0.00 N ATOM 117 CA ALA A 8 21.665 -11.123 7.329 1.00 0.00 C ATOM 118 C ALA A 8 22.234 -11.728 8.608 1.00 0.00 C ATOM 119 O ALA A 8 22.126 -12.933 8.838 1.00 0.00 O ATOM 120 CB ALA A 8 20.169 -11.380 7.241 1.00 0.00 C ATOM 0 H ALA A 8 22.787 -12.566 6.302 1.00 0.00 H new ATOM 0 HA ALA A 8 21.836 -10.047 7.358 1.00 0.00 H new ATOM 0 HB1 ALA A 8 19.677 -10.973 8.125 1.00 0.00 H new ATOM 0 HB2 ALA A 8 19.769 -10.898 6.349 1.00 0.00 H new ATOM 0 HB3 ALA A 8 19.987 -12.453 7.186 1.00 0.00 H new ATOM 126 N ALA A 9 22.839 -10.884 9.437 1.00 0.00 N ATOM 127 CA ALA A 9 23.430 -11.334 10.691 1.00 0.00 C ATOM 128 C ALA A 9 22.384 -11.412 11.798 1.00 0.00 C ATOM 129 O ALA A 9 22.575 -12.106 12.797 1.00 0.00 O ATOM 130 CB ALA A 9 24.565 -10.408 11.101 1.00 0.00 C ATOM 0 H ALA A 9 22.933 -9.883 9.262 1.00 0.00 H new ATOM 0 HA ALA A 9 23.829 -12.336 10.535 1.00 0.00 H new ATOM 0 HB1 ALA A 9 24.997 -10.756 12.039 1.00 0.00 H new ATOM 0 HB2 ALA A 9 25.332 -10.407 10.326 1.00 0.00 H new ATOM 0 HB3 ALA A 9 24.180 -9.397 11.232 1.00 0.00 H new ATOM 136 N LEU A 10 21.279 -10.697 11.615 1.00 0.00 N ATOM 137 CA LEU A 10 20.206 -10.685 12.602 1.00 0.00 C ATOM 138 C LEU A 10 19.149 -11.736 12.274 1.00 0.00 C ATOM 139 O LEU A 10 18.193 -11.462 11.548 1.00 0.00 O ATOM 140 CB LEU A 10 19.559 -9.300 12.670 1.00 0.00 C ATOM 141 CG LEU A 10 18.494 -9.131 13.756 1.00 0.00 C ATOM 142 CD1 LEU A 10 19.103 -9.323 15.137 1.00 0.00 C ATOM 143 CD2 LEU A 10 17.835 -7.764 13.648 1.00 0.00 C ATOM 0 H LEU A 10 21.103 -10.119 10.793 1.00 0.00 H new ATOM 0 HA LEU A 10 20.641 -10.924 13.573 1.00 0.00 H new ATOM 0 HB2 LEU A 10 20.341 -8.559 12.832 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.107 -9.080 11.703 1.00 0.00 H new ATOM 0 HG LEU A 10 17.730 -9.894 13.609 1.00 0.00 H new ATOM 0 HD11 LEU A 10 18.330 -9.199 15.896 1.00 0.00 H new ATOM 0 HD12 LEU A 10 19.527 -10.324 15.211 1.00 0.00 H new ATOM 0 HD13 LEU A 10 19.888 -8.583 15.294 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.080 -7.661 14.428 1.00 0.00 H new ATOM 0 HD22 LEU A 10 18.589 -6.986 13.768 1.00 0.00 H new ATOM 0 HD23 LEU A 10 17.363 -7.664 12.671 1.00 0.00 H new ATOM 155 N MET A 11 19.329 -12.936 12.816 1.00 0.00 N ATOM 156 CA MET A 11 18.389 -14.027 12.586 1.00 0.00 C ATOM 157 C MET A 11 17.786 -14.501 13.906 1.00 0.00 C ATOM 158 O MET A 11 17.589 -15.696 14.125 1.00 0.00 O ATOM 159 CB MET A 11 19.091 -15.188 11.871 1.00 0.00 C ATOM 160 CG MET A 11 18.134 -16.212 11.280 1.00 0.00 C ATOM 161 SD MET A 11 18.969 -17.437 10.252 1.00 0.00 S ATOM 162 CE MET A 11 20.089 -18.177 11.438 1.00 0.00 C ATOM 0 H MET A 11 20.117 -13.178 13.417 1.00 0.00 H new ATOM 0 HA MET A 11 17.582 -13.662 11.951 1.00 0.00 H new ATOM 0 HB2 MET A 11 19.717 -14.787 11.074 1.00 0.00 H new ATOM 0 HB3 MET A 11 19.755 -15.689 12.576 1.00 0.00 H new ATOM 0 HG2 MET A 11 17.608 -16.720 12.088 1.00 0.00 H new ATOM 0 HG3 MET A 11 17.381 -15.697 10.684 1.00 0.00 H new ATOM 0 HE1 MET A 11 20.491 -19.104 11.029 1.00 0.00 H new ATOM 0 HE2 MET A 11 20.907 -17.487 11.645 1.00 0.00 H new ATOM 0 HE3 MET A 11 19.551 -18.391 12.362 1.00 0.00 H new ATOM 172 N TYR A 12 17.494 -13.546 14.786 1.00 0.00 N ATOM 173 CA TYR A 12 16.911 -13.851 16.089 1.00 0.00 C ATOM 174 C TYR A 12 15.396 -13.998 15.980 1.00 0.00 C ATOM 175 O TYR A 12 14.741 -14.500 16.894 1.00 0.00 O ATOM 176 CB TYR A 12 17.263 -12.751 17.093 1.00 0.00 C ATOM 177 CG TYR A 12 16.857 -13.065 18.516 1.00 0.00 C ATOM 178 CD1 TYR A 12 17.648 -13.875 19.322 1.00 0.00 C ATOM 179 CD2 TYR A 12 15.686 -12.548 19.056 1.00 0.00 C ATOM 180 CE1 TYR A 12 17.281 -14.163 20.623 1.00 0.00 C ATOM 181 CE2 TYR A 12 15.312 -12.831 20.356 1.00 0.00 C ATOM 182 CZ TYR A 12 16.113 -13.638 21.135 1.00 0.00 C ATOM 183 OH TYR A 12 15.745 -13.922 22.430 1.00 0.00 O ATOM 0 H TYR A 12 17.652 -12.552 14.619 1.00 0.00 H new ATOM 0 HA TYR A 12 17.324 -14.797 16.439 1.00 0.00 H new ATOM 0 HB2 TYR A 12 18.338 -12.576 17.063 1.00 0.00 H new ATOM 0 HB3 TYR A 12 16.781 -11.824 16.784 1.00 0.00 H new ATOM 0 HD1 TYR A 12 18.564 -14.286 18.925 1.00 0.00 H new ATOM 0 HD2 TYR A 12 15.057 -11.914 18.449 1.00 0.00 H new ATOM 0 HE1 TYR A 12 17.906 -14.796 21.236 1.00 0.00 H new ATOM 0 HE2 TYR A 12 14.397 -12.422 20.759 1.00 0.00 H new ATOM 0 HH TYR A 12 14.898 -13.474 22.635 1.00 0.00 H new ATOM 193 N ARG A 13 14.849 -13.558 14.848 1.00 0.00 N ATOM 194 CA ARG A 13 13.412 -13.631 14.602 1.00 0.00 C ATOM 195 C ARG A 13 12.637 -12.821 15.639 1.00 0.00 C ATOM 196 O ARG A 13 12.257 -13.339 16.689 1.00 0.00 O ATOM 197 CB ARG A 13 12.938 -15.086 14.611 1.00 0.00 C ATOM 198 CG ARG A 13 11.461 -15.247 14.287 1.00 0.00 C ATOM 199 CD ARG A 13 11.024 -16.699 14.380 1.00 0.00 C ATOM 200 NE ARG A 13 11.785 -17.560 13.478 1.00 0.00 N ATOM 201 CZ ARG A 13 11.317 -18.699 12.977 1.00 0.00 C ATOM 202 NH1 ARG A 13 10.093 -19.109 13.284 1.00 0.00 N ATOM 203 NH2 ARG A 13 12.072 -19.427 12.165 1.00 0.00 N ATOM 0 H ARG A 13 15.384 -13.145 14.084 1.00 0.00 H new ATOM 0 HA ARG A 13 13.219 -13.204 13.618 1.00 0.00 H new ATOM 0 HB2 ARG A 13 13.524 -15.655 13.889 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.135 -15.518 15.592 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.869 -14.643 14.975 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.265 -14.871 13.283 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.147 -17.049 15.405 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.963 -16.774 14.143 1.00 0.00 H new ATOM 0 HE ARG A 13 12.728 -17.271 13.218 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.509 -18.550 13.906 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.736 -19.983 12.898 1.00 0.00 H new ATOM 0 HH21 ARG A 13 13.012 -19.113 11.925 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.712 -20.301 11.781 1.00 0.00 H new ATOM 217 N GLY A 14 12.407 -11.547 15.333 1.00 0.00 N ATOM 218 CA GLY A 14 11.679 -10.682 16.244 1.00 0.00 C ATOM 219 C GLY A 14 10.911 -9.593 15.521 1.00 0.00 C ATOM 220 O GLY A 14 11.287 -9.185 14.421 1.00 0.00 O ATOM 0 H GLY A 14 12.712 -11.098 14.469 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.985 -11.282 16.833 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.379 -10.225 16.944 1.00 0.00 H new ATOM 224 N ILE A 15 9.831 -9.120 16.138 1.00 0.00 N ATOM 225 CA ILE A 15 9.010 -8.071 15.545 1.00 0.00 C ATOM 226 C ILE A 15 9.613 -6.692 15.801 1.00 0.00 C ATOM 227 O ILE A 15 9.964 -6.356 16.933 1.00 0.00 O ATOM 228 CB ILE A 15 7.565 -8.108 16.091 1.00 0.00 C ATOM 229 CG1 ILE A 15 6.733 -6.966 15.500 1.00 0.00 C ATOM 230 CG2 ILE A 15 7.565 -8.039 17.611 1.00 0.00 C ATOM 231 CD1 ILE A 15 6.538 -7.068 14.002 1.00 0.00 C ATOM 0 H ILE A 15 9.505 -9.447 17.048 1.00 0.00 H new ATOM 0 HA ILE A 15 8.984 -8.256 14.471 1.00 0.00 H new ATOM 0 HB ILE A 15 7.111 -9.052 15.790 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.757 -6.951 15.985 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.218 -6.018 15.731 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.538 -8.066 17.976 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.116 -8.889 18.014 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.040 -7.112 17.933 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.940 -6.226 13.655 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.509 -7.052 13.507 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.025 -8.000 13.765 1.00 0.00 H new ATOM 243 N TYR A 16 9.734 -5.899 14.741 1.00 0.00 N ATOM 244 CA TYR A 16 10.296 -4.557 14.851 1.00 0.00 C ATOM 245 C TYR A 16 9.194 -3.501 14.853 1.00 0.00 C ATOM 246 O TYR A 16 8.295 -3.520 14.012 1.00 0.00 O ATOM 247 CB TYR A 16 11.283 -4.292 13.709 1.00 0.00 C ATOM 248 CG TYR A 16 10.703 -4.512 12.327 1.00 0.00 C ATOM 249 CD1 TYR A 16 10.700 -5.776 11.749 1.00 0.00 C ATOM 250 CD2 TYR A 16 10.167 -3.457 11.599 1.00 0.00 C ATOM 251 CE1 TYR A 16 10.176 -5.981 10.487 1.00 0.00 C ATOM 252 CE2 TYR A 16 9.643 -3.654 10.336 1.00 0.00 C ATOM 253 CZ TYR A 16 9.650 -4.918 9.785 1.00 0.00 C ATOM 254 OH TYR A 16 9.130 -5.119 8.527 1.00 0.00 O ATOM 0 H TYR A 16 9.451 -6.162 13.797 1.00 0.00 H new ATOM 0 HA TYR A 16 10.832 -4.493 15.798 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.640 -3.265 13.782 1.00 0.00 H new ATOM 0 HB3 TYR A 16 12.150 -4.940 13.835 1.00 0.00 H new ATOM 0 HD1 TYR A 16 11.114 -6.611 12.295 1.00 0.00 H new ATOM 0 HD2 TYR A 16 10.160 -2.466 12.028 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.179 -6.970 10.053 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.230 -2.823 9.783 1.00 0.00 H new ATOM 0 HH TYR A 16 8.799 -4.268 8.170 1.00 0.00 H new ATOM 264 N THR A 17 9.273 -2.585 15.812 1.00 0.00 N ATOM 265 CA THR A 17 8.292 -1.514 15.937 1.00 0.00 C ATOM 266 C THR A 17 8.922 -0.286 16.587 1.00 0.00 C ATOM 267 O THR A 17 8.317 0.364 17.441 1.00 0.00 O ATOM 268 CB THR A 17 7.070 -1.969 16.761 1.00 0.00 C ATOM 269 OG1 THR A 17 6.140 -0.887 16.904 1.00 0.00 O ATOM 270 CG2 THR A 17 7.493 -2.467 18.135 1.00 0.00 C ATOM 0 H THR A 17 10.010 -2.563 16.517 1.00 0.00 H new ATOM 0 HA THR A 17 7.955 -1.256 14.933 1.00 0.00 H new ATOM 0 HB THR A 17 6.591 -2.790 16.228 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.591 -0.120 17.315 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.612 -2.782 18.695 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.172 -3.312 18.022 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.998 -1.665 18.673 1.00 0.00 H new ATOM 278 N VAL A 18 10.146 0.022 16.171 1.00 0.00 N ATOM 279 CA VAL A 18 10.879 1.164 16.705 1.00 0.00 C ATOM 280 C VAL A 18 10.074 2.458 16.553 1.00 0.00 C ATOM 281 O VAL A 18 9.528 2.734 15.485 1.00 0.00 O ATOM 282 CB VAL A 18 12.240 1.327 16.003 1.00 0.00 C ATOM 283 CG1 VAL A 18 13.100 2.348 16.730 1.00 0.00 C ATOM 284 CG2 VAL A 18 12.957 -0.011 15.907 1.00 0.00 C ATOM 0 H VAL A 18 10.653 -0.507 15.462 1.00 0.00 H new ATOM 0 HA VAL A 18 11.045 0.971 17.765 1.00 0.00 H new ATOM 0 HB VAL A 18 12.062 1.692 14.991 1.00 0.00 H new ATOM 0 HG11 VAL A 18 14.057 2.448 16.218 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.591 3.312 16.739 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.270 2.017 17.755 1.00 0.00 H new ATOM 0 HG21 VAL A 18 13.916 0.125 15.408 1.00 0.00 H new ATOM 0 HG22 VAL A 18 13.122 -0.408 16.909 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.347 -0.711 15.335 1.00 0.00 H new ATOM 294 N PRO A 19 9.992 3.269 17.628 1.00 0.00 N ATOM 295 CA PRO A 19 9.257 4.524 17.622 1.00 0.00 C ATOM 296 C PRO A 19 10.130 5.708 17.219 1.00 0.00 C ATOM 297 O PRO A 19 9.820 6.416 16.262 1.00 0.00 O ATOM 298 CB PRO A 19 8.806 4.657 19.076 1.00 0.00 C ATOM 299 CG PRO A 19 9.791 3.867 19.888 1.00 0.00 C ATOM 300 CD PRO A 19 10.615 3.032 18.934 1.00 0.00 C ATOM 0 HA PRO A 19 8.440 4.524 16.900 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.793 5.702 19.387 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.794 4.273 19.208 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.433 4.534 20.464 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.272 3.229 20.603 1.00 0.00 H new ATOM 0 HD2 PRO A 19 11.662 3.337 18.938 1.00 0.00 H new ATOM 0 HD3 PRO A 19 10.589 1.976 19.203 1.00 0.00 H new ATOM 308 N ASN A 20 11.216 5.924 17.960 1.00 0.00 N ATOM 309 CA ASN A 20 12.135 7.017 17.665 1.00 0.00 C ATOM 310 C ASN A 20 12.896 6.734 16.382 1.00 0.00 C ATOM 311 O ASN A 20 14.064 6.343 16.414 1.00 0.00 O ATOM 312 CB ASN A 20 13.128 7.219 18.811 1.00 0.00 C ATOM 313 CG ASN A 20 12.520 7.962 19.983 1.00 0.00 C ATOM 314 OD1 ASN A 20 12.579 9.190 20.053 1.00 0.00 O ATOM 315 ND2 ASN A 20 11.929 7.219 20.912 1.00 0.00 N ATOM 0 H ASN A 20 11.479 5.357 18.766 1.00 0.00 H new ATOM 0 HA ASN A 20 11.547 7.927 17.545 1.00 0.00 H new ATOM 0 HB2 ASN A 20 13.490 6.248 19.149 1.00 0.00 H new ATOM 0 HB3 ASN A 20 13.993 7.771 18.444 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.501 7.663 21.724 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.904 6.204 20.813 1.00 0.00 H new ATOM 322 N LEU A 21 12.234 6.931 15.252 1.00 0.00 N ATOM 323 CA LEU A 21 12.860 6.686 13.968 1.00 0.00 C ATOM 324 C LEU A 21 13.132 7.986 13.226 1.00 0.00 C ATOM 325 O LEU A 21 13.063 8.035 12.000 1.00 0.00 O ATOM 326 CB LEU A 21 12.003 5.747 13.124 1.00 0.00 C ATOM 327 CG LEU A 21 12.621 4.369 12.890 1.00 0.00 C ATOM 328 CD1 LEU A 21 11.585 3.283 13.115 1.00 0.00 C ATOM 329 CD2 LEU A 21 13.215 4.276 11.489 1.00 0.00 C ATOM 0 H LEU A 21 11.269 7.258 15.201 1.00 0.00 H new ATOM 0 HA LEU A 21 13.821 6.205 14.151 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.036 5.620 13.611 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.814 6.216 12.158 1.00 0.00 H new ATOM 0 HG LEU A 21 13.430 4.224 13.606 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.039 2.307 12.945 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.216 3.338 14.139 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.755 3.423 12.423 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.650 3.287 11.343 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.431 4.440 10.750 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.990 5.034 11.371 1.00 0.00 H new ATOM 341 N LEU A 22 13.431 9.044 13.976 1.00 0.00 N ATOM 342 CA LEU A 22 13.757 10.328 13.370 1.00 0.00 C ATOM 343 C LEU A 22 15.013 10.153 12.531 1.00 0.00 C ATOM 344 O LEU A 22 15.347 10.978 11.680 1.00 0.00 O ATOM 345 CB LEU A 22 13.966 11.398 14.447 1.00 0.00 C ATOM 346 CG LEU A 22 14.946 11.024 15.564 1.00 0.00 C ATOM 347 CD1 LEU A 22 16.379 11.318 15.147 1.00 0.00 C ATOM 348 CD2 LEU A 22 14.601 11.771 16.844 1.00 0.00 C ATOM 0 H LEU A 22 13.454 9.036 14.996 1.00 0.00 H new ATOM 0 HA LEU A 22 12.934 10.661 12.738 1.00 0.00 H new ATOM 0 HB2 LEU A 22 14.321 12.309 13.966 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.001 11.630 14.897 1.00 0.00 H new ATOM 0 HG LEU A 22 14.859 9.954 15.751 1.00 0.00 H new ATOM 0 HD11 LEU A 22 17.057 11.045 15.956 1.00 0.00 H new ATOM 0 HD12 LEU A 22 16.625 10.740 14.256 1.00 0.00 H new ATOM 0 HD13 LEU A 22 16.484 12.381 14.930 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.306 11.495 17.628 1.00 0.00 H new ATOM 0 HD22 LEU A 22 14.659 12.845 16.666 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.590 11.510 17.157 1.00 0.00 H new ATOM 360 N SER A 23 15.698 9.049 12.804 1.00 0.00 N ATOM 361 CA SER A 23 16.915 8.672 12.110 1.00 0.00 C ATOM 362 C SER A 23 16.587 7.661 11.014 1.00 0.00 C ATOM 363 O SER A 23 17.441 6.881 10.593 1.00 0.00 O ATOM 364 CB SER A 23 17.915 8.077 13.106 1.00 0.00 C ATOM 365 OG SER A 23 19.106 7.667 12.458 1.00 0.00 O ATOM 0 H SER A 23 15.417 8.384 13.524 1.00 0.00 H new ATOM 0 HA SER A 23 17.362 9.554 11.652 1.00 0.00 H new ATOM 0 HB2 SER A 23 18.151 8.815 13.872 1.00 0.00 H new ATOM 0 HB3 SER A 23 17.463 7.225 13.613 1.00 0.00 H new ATOM 0 HG SER A 23 18.884 7.245 11.602 1.00 0.00 H new ATOM 371 N GLU A 24 15.325 7.678 10.578 1.00 0.00 N ATOM 372 CA GLU A 24 14.823 6.766 9.545 1.00 0.00 C ATOM 373 C GLU A 24 15.749 6.692 8.330 1.00 0.00 C ATOM 374 O GLU A 24 15.579 5.822 7.475 1.00 0.00 O ATOM 375 CB GLU A 24 13.424 7.196 9.098 1.00 0.00 C ATOM 376 CG GLU A 24 12.729 6.182 8.203 1.00 0.00 C ATOM 377 CD GLU A 24 11.357 6.645 7.753 1.00 0.00 C ATOM 378 OE1 GLU A 24 10.379 6.412 8.494 1.00 0.00 O ATOM 379 OE2 GLU A 24 11.260 7.241 6.659 1.00 0.00 O ATOM 0 H GLU A 24 14.621 8.325 10.931 1.00 0.00 H new ATOM 0 HA GLU A 24 14.784 5.772 9.990 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.808 7.371 9.980 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.498 8.145 8.567 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.349 5.991 7.327 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.632 5.237 8.738 1.00 0.00 H new ATOM 386 N GLN A 25 16.711 7.610 8.250 1.00 0.00 N ATOM 387 CA GLN A 25 17.667 7.636 7.146 1.00 0.00 C ATOM 388 C GLN A 25 17.008 8.082 5.851 1.00 0.00 C ATOM 389 O GLN A 25 15.921 8.662 5.855 1.00 0.00 O ATOM 390 CB GLN A 25 18.298 6.255 6.943 1.00 0.00 C ATOM 391 CG GLN A 25 19.082 5.763 8.141 1.00 0.00 C ATOM 392 CD GLN A 25 19.553 4.331 7.984 1.00 0.00 C ATOM 393 OE1 GLN A 25 19.825 3.871 6.874 1.00 0.00 O ATOM 394 NE2 GLN A 25 19.644 3.615 9.098 1.00 0.00 N ATOM 0 H GLN A 25 16.849 8.348 8.940 1.00 0.00 H new ATOM 0 HA GLN A 25 18.443 8.355 7.409 1.00 0.00 H new ATOM 0 HB2 GLN A 25 17.511 5.536 6.714 1.00 0.00 H new ATOM 0 HB3 GLN A 25 18.959 6.291 6.077 1.00 0.00 H new ATOM 0 HG2 GLN A 25 19.945 6.410 8.296 1.00 0.00 H new ATOM 0 HG3 GLN A 25 18.461 5.841 9.033 1.00 0.00 H new ATOM 0 HE21 GLN A 25 19.409 4.037 9.996 1.00 0.00 H new ATOM 0 HE22 GLN A 25 19.949 2.643 9.056 1.00 0.00 H new ATOM 403 N ARG A 26 17.689 7.805 4.746 1.00 0.00 N ATOM 404 CA ARG A 26 17.203 8.153 3.421 1.00 0.00 C ATOM 405 C ARG A 26 15.755 7.699 3.224 1.00 0.00 C ATOM 406 O ARG A 26 15.325 6.705 3.810 1.00 0.00 O ATOM 407 CB ARG A 26 18.098 7.503 2.371 1.00 0.00 C ATOM 408 CG ARG A 26 19.290 8.354 1.966 1.00 0.00 C ATOM 409 CD ARG A 26 20.126 7.661 0.902 1.00 0.00 C ATOM 410 NE ARG A 26 21.283 8.458 0.506 1.00 0.00 N ATOM 411 CZ ARG A 26 22.258 8.003 -0.275 1.00 0.00 C ATOM 412 NH1 ARG A 26 22.221 6.758 -0.730 1.00 0.00 N ATOM 413 NH2 ARG A 26 23.272 8.794 -0.600 1.00 0.00 N ATOM 0 H ARG A 26 18.593 7.333 4.745 1.00 0.00 H new ATOM 0 HA ARG A 26 17.231 9.237 3.315 1.00 0.00 H new ATOM 0 HB2 ARG A 26 18.459 6.549 2.756 1.00 0.00 H new ATOM 0 HB3 ARG A 26 17.502 7.284 1.485 1.00 0.00 H new ATOM 0 HG2 ARG A 26 18.942 9.316 1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 26 19.907 8.559 2.841 1.00 0.00 H new ATOM 0 HD2 ARG A 26 20.464 6.696 1.279 1.00 0.00 H new ATOM 0 HD3 ARG A 26 19.507 7.463 0.027 1.00 0.00 H new ATOM 0 HE ARG A 26 21.347 9.417 0.847 1.00 0.00 H new ATOM 0 HH11 ARG A 26 21.443 6.147 -0.481 1.00 0.00 H new ATOM 0 HH12 ARG A 26 22.970 6.411 -1.329 1.00 0.00 H new ATOM 0 HH21 ARG A 26 23.304 9.752 -0.251 1.00 0.00 H new ATOM 0 HH22 ARG A 26 24.020 8.444 -1.199 1.00 0.00 H new ATOM 427 N PRO A 27 14.982 8.425 2.394 1.00 0.00 N ATOM 428 CA PRO A 27 13.585 8.102 2.119 1.00 0.00 C ATOM 429 C PRO A 27 13.441 7.026 1.047 1.00 0.00 C ATOM 430 O PRO A 27 12.381 6.882 0.438 1.00 0.00 O ATOM 431 CB PRO A 27 12.994 9.433 1.618 1.00 0.00 C ATOM 432 CG PRO A 27 14.123 10.420 1.612 1.00 0.00 C ATOM 433 CD PRO A 27 15.395 9.623 1.660 1.00 0.00 C ATOM 0 HA PRO A 27 13.083 7.703 3.000 1.00 0.00 H new ATOM 0 HB2 PRO A 27 12.572 9.319 0.620 1.00 0.00 H new ATOM 0 HB3 PRO A 27 12.187 9.769 2.269 1.00 0.00 H new ATOM 0 HG2 PRO A 27 14.089 11.041 0.717 1.00 0.00 H new ATOM 0 HG3 PRO A 27 14.055 11.091 2.468 1.00 0.00 H new ATOM 0 HD2 PRO A 27 15.763 9.383 0.662 1.00 0.00 H new ATOM 0 HD3 PRO A 27 16.193 10.160 2.173 1.00 0.00 H new ATOM 441 N VAL A 28 14.513 6.271 0.824 1.00 0.00 N ATOM 442 CA VAL A 28 14.508 5.213 -0.179 1.00 0.00 C ATOM 443 C VAL A 28 13.888 3.929 0.366 1.00 0.00 C ATOM 444 O VAL A 28 14.317 3.408 1.395 1.00 0.00 O ATOM 445 CB VAL A 28 15.931 4.914 -0.686 1.00 0.00 C ATOM 446 CG1 VAL A 28 16.451 6.071 -1.526 1.00 0.00 C ATOM 447 CG2 VAL A 28 16.871 4.633 0.477 1.00 0.00 C ATOM 0 H VAL A 28 15.396 6.373 1.325 1.00 0.00 H new ATOM 0 HA VAL A 28 13.902 5.573 -1.011 1.00 0.00 H new ATOM 0 HB VAL A 28 15.890 4.023 -1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 28 17.458 5.843 -1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 28 15.794 6.222 -2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 28 16.474 6.978 -0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.870 4.424 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.908 5.502 1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 28 16.509 3.771 1.037 1.00 0.00 H new ATOM 457 N ASP A 29 12.873 3.429 -0.336 1.00 0.00 N ATOM 458 CA ASP A 29 12.187 2.204 0.062 1.00 0.00 C ATOM 459 C ASP A 29 11.731 2.274 1.517 1.00 0.00 C ATOM 460 O ASP A 29 12.420 1.790 2.416 1.00 0.00 O ATOM 461 CB ASP A 29 13.101 0.992 -0.139 1.00 0.00 C ATOM 462 CG ASP A 29 13.542 0.834 -1.582 1.00 0.00 C ATOM 463 OD1 ASP A 29 12.820 0.168 -2.354 1.00 0.00 O ATOM 464 OD2 ASP A 29 14.611 1.374 -1.938 1.00 0.00 O ATOM 0 H ASP A 29 12.507 3.856 -1.187 1.00 0.00 H new ATOM 0 HA ASP A 29 11.305 2.096 -0.569 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.980 1.093 0.498 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.579 0.090 0.180 1.00 0.00 H new ATOM 469 N ILE A 30 10.570 2.880 1.745 1.00 0.00 N ATOM 470 CA ILE A 30 10.032 3.005 3.093 1.00 0.00 C ATOM 471 C ILE A 30 9.554 1.651 3.613 1.00 0.00 C ATOM 472 O ILE A 30 8.829 0.937 2.919 1.00 0.00 O ATOM 473 CB ILE A 30 8.856 4.001 3.146 1.00 0.00 C ATOM 474 CG1 ILE A 30 9.233 5.315 2.453 1.00 0.00 C ATOM 475 CG2 ILE A 30 8.446 4.254 4.591 1.00 0.00 C ATOM 476 CD1 ILE A 30 10.386 6.049 3.110 1.00 0.00 C ATOM 0 H ILE A 30 9.986 3.290 1.016 1.00 0.00 H new ATOM 0 HA ILE A 30 10.840 3.378 3.722 1.00 0.00 H new ATOM 0 HB ILE A 30 8.008 3.568 2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.493 5.105 1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.361 5.969 2.437 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.615 4.959 4.615 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.139 3.315 5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.290 4.669 5.141 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.592 6.968 2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.123 6.292 4.140 1.00 0.00 H new ATOM 0 HD13 ILE A 30 11.273 5.415 3.102 1.00 0.00 H new ATOM 488 N PRO A 31 9.955 1.275 4.843 1.00 0.00 N ATOM 489 CA PRO A 31 9.557 -0.002 5.445 1.00 0.00 C ATOM 490 C PRO A 31 8.045 -0.167 5.503 1.00 0.00 C ATOM 491 O PRO A 31 7.302 0.811 5.585 1.00 0.00 O ATOM 492 CB PRO A 31 10.143 0.058 6.863 1.00 0.00 C ATOM 493 CG PRO A 31 10.475 1.493 7.094 1.00 0.00 C ATOM 494 CD PRO A 31 10.818 2.053 5.747 1.00 0.00 C ATOM 0 HA PRO A 31 9.917 -0.850 4.862 1.00 0.00 H new ATOM 0 HB2 PRO A 31 9.426 -0.303 7.600 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.030 -0.569 6.948 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.631 2.024 7.535 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.312 1.595 7.785 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.608 3.121 5.687 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.874 1.922 5.511 1.00 0.00 H new ATOM 502 N GLU A 32 7.603 -1.423 5.442 1.00 0.00 N ATOM 503 CA GLU A 32 6.182 -1.767 5.492 1.00 0.00 C ATOM 504 C GLU A 32 5.458 -1.056 6.640 1.00 0.00 C ATOM 505 O GLU A 32 4.230 -1.076 6.712 1.00 0.00 O ATOM 506 CB GLU A 32 6.023 -3.283 5.634 1.00 0.00 C ATOM 507 CG GLU A 32 4.586 -3.766 5.532 1.00 0.00 C ATOM 508 CD GLU A 32 4.482 -5.279 5.534 1.00 0.00 C ATOM 509 OE1 GLU A 32 4.417 -5.867 6.633 1.00 0.00 O ATOM 510 OE2 GLU A 32 4.465 -5.874 4.436 1.00 0.00 O ATOM 0 H GLU A 32 8.220 -2.231 5.357 1.00 0.00 H new ATOM 0 HA GLU A 32 5.726 -1.431 4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.616 -3.774 4.863 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.432 -3.592 6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.011 -3.364 6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.138 -3.375 4.618 1.00 0.00 H new ATOM 517 N ASP A 33 6.222 -0.437 7.537 1.00 0.00 N ATOM 518 CA ASP A 33 5.647 0.285 8.667 1.00 0.00 C ATOM 519 C ASP A 33 4.588 1.284 8.200 1.00 0.00 C ATOM 520 O ASP A 33 3.549 1.443 8.842 1.00 0.00 O ATOM 521 CB ASP A 33 6.746 1.012 9.444 1.00 0.00 C ATOM 522 CG ASP A 33 6.208 1.751 10.654 1.00 0.00 C ATOM 523 OD1 ASP A 33 6.151 1.145 11.745 1.00 0.00 O ATOM 524 OD2 ASP A 33 5.845 2.938 10.511 1.00 0.00 O ATOM 0 H ASP A 33 7.241 -0.421 7.502 1.00 0.00 H new ATOM 0 HA ASP A 33 5.166 -0.441 9.322 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.497 0.291 9.767 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.247 1.719 8.783 1.00 0.00 H new ATOM 529 N GLU A 34 4.857 1.955 7.080 1.00 0.00 N ATOM 530 CA GLU A 34 3.919 2.932 6.533 1.00 0.00 C ATOM 531 C GLU A 34 2.790 2.230 5.786 1.00 0.00 C ATOM 532 O GLU A 34 1.719 2.798 5.573 1.00 0.00 O ATOM 533 CB GLU A 34 4.634 3.908 5.592 1.00 0.00 C ATOM 534 CG GLU A 34 5.095 3.278 4.286 1.00 0.00 C ATOM 535 CD GLU A 34 5.061 4.258 3.128 1.00 0.00 C ATOM 536 OE1 GLU A 34 6.009 5.060 2.999 1.00 0.00 O ATOM 537 OE2 GLU A 34 4.085 4.222 2.349 1.00 0.00 O ATOM 0 H GLU A 34 5.713 1.840 6.537 1.00 0.00 H new ATOM 0 HA GLU A 34 3.498 3.495 7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.964 4.738 5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.498 4.327 6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.109 2.898 4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.460 2.423 4.054 1.00 0.00 H new ATOM 544 N LEU A 35 3.046 0.989 5.389 1.00 0.00 N ATOM 545 CA LEU A 35 2.060 0.192 4.665 1.00 0.00 C ATOM 546 C LEU A 35 0.966 -0.298 5.609 1.00 0.00 C ATOM 547 O LEU A 35 -0.175 -0.504 5.198 1.00 0.00 O ATOM 548 CB LEU A 35 2.742 -0.994 3.975 1.00 0.00 C ATOM 549 CG LEU A 35 1.820 -1.889 3.143 1.00 0.00 C ATOM 550 CD1 LEU A 35 2.557 -2.421 1.923 1.00 0.00 C ATOM 551 CD2 LEU A 35 1.292 -3.042 3.983 1.00 0.00 C ATOM 0 H LEU A 35 3.931 0.511 5.557 1.00 0.00 H new ATOM 0 HA LEU A 35 1.598 0.821 3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.530 -0.611 3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.225 -1.607 4.736 1.00 0.00 H new ATOM 0 HG LEU A 35 0.973 -1.290 2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.888 -3.056 1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.891 -1.586 1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.421 -3.003 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.639 -3.667 3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.128 -3.639 4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.731 -2.648 4.830 1.00 0.00 H new ATOM 563 N GLU A 36 1.326 -0.485 6.876 1.00 0.00 N ATOM 564 CA GLU A 36 0.381 -0.952 7.885 1.00 0.00 C ATOM 565 C GLU A 36 -0.839 -0.039 7.962 1.00 0.00 C ATOM 566 O GLU A 36 -1.946 -0.492 8.252 1.00 0.00 O ATOM 567 CB GLU A 36 1.059 -1.027 9.253 1.00 0.00 C ATOM 568 CG GLU A 36 2.265 -1.951 9.285 1.00 0.00 C ATOM 569 CD GLU A 36 1.910 -3.387 8.954 1.00 0.00 C ATOM 570 OE1 GLU A 36 1.489 -4.121 9.873 1.00 0.00 O ATOM 571 OE2 GLU A 36 2.054 -3.778 7.778 1.00 0.00 O ATOM 0 H GLU A 36 2.269 -0.319 7.229 1.00 0.00 H new ATOM 0 HA GLU A 36 0.047 -1.948 7.594 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.371 -0.026 9.550 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.332 -1.366 9.991 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.011 -1.593 8.576 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.721 -1.912 10.274 1.00 0.00 H new ATOM 578 N GLU A 37 -0.629 1.248 7.703 1.00 0.00 N ATOM 579 CA GLU A 37 -1.713 2.224 7.746 1.00 0.00 C ATOM 580 C GLU A 37 -2.742 1.951 6.655 1.00 0.00 C ATOM 581 O GLU A 37 -3.938 2.178 6.846 1.00 0.00 O ATOM 582 CB GLU A 37 -1.161 3.643 7.598 1.00 0.00 C ATOM 583 CG GLU A 37 -0.479 4.168 8.852 1.00 0.00 C ATOM 584 CD GLU A 37 0.733 3.348 9.247 1.00 0.00 C ATOM 585 OE1 GLU A 37 0.564 2.354 9.985 1.00 0.00 O ATOM 586 OE2 GLU A 37 1.853 3.700 8.820 1.00 0.00 O ATOM 0 H GLU A 37 0.281 1.639 7.461 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.206 2.132 8.714 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.449 3.662 6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.977 4.315 7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.175 5.202 8.689 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.194 4.171 9.675 1.00 0.00 H new ATOM 593 N ILE A 38 -2.273 1.462 5.512 1.00 0.00 N ATOM 594 CA ILE A 38 -3.155 1.160 4.390 1.00 0.00 C ATOM 595 C ILE A 38 -4.145 0.060 4.757 1.00 0.00 C ATOM 596 O ILE A 38 -5.358 0.223 4.608 1.00 0.00 O ATOM 597 CB ILE A 38 -2.356 0.710 3.150 1.00 0.00 C ATOM 598 CG1 ILE A 38 -1.109 1.581 2.975 1.00 0.00 C ATOM 599 CG2 ILE A 38 -3.236 0.767 1.908 1.00 0.00 C ATOM 600 CD1 ILE A 38 -0.256 1.196 1.784 1.00 0.00 C ATOM 0 H ILE A 38 -1.287 1.266 5.338 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.694 2.078 4.156 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.033 -0.321 3.294 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.416 2.621 2.869 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.504 1.518 3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.661 0.447 1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.093 0.106 2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.585 1.788 1.756 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.608 1.858 1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.083 0.166 1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.844 1.287 0.871 1.00 0.00 H new ATOM 612 N ARG A 39 -3.613 -1.056 5.241 1.00 0.00 N ATOM 613 CA ARG A 39 -4.432 -2.197 5.626 1.00 0.00 C ATOM 614 C ARG A 39 -5.339 -1.862 6.801 1.00 0.00 C ATOM 615 O ARG A 39 -6.550 -1.791 6.647 1.00 0.00 O ATOM 616 CB ARG A 39 -3.542 -3.388 5.975 1.00 0.00 C ATOM 617 CG ARG A 39 -2.790 -3.936 4.777 1.00 0.00 C ATOM 618 CD ARG A 39 -1.521 -4.661 5.190 1.00 0.00 C ATOM 619 NE ARG A 39 -1.802 -5.976 5.762 1.00 0.00 N ATOM 620 CZ ARG A 39 -0.878 -6.917 5.939 1.00 0.00 C ATOM 621 NH1 ARG A 39 0.382 -6.692 5.591 1.00 0.00 N ATOM 622 NH2 ARG A 39 -1.216 -8.086 6.464 1.00 0.00 N ATOM 0 H ARG A 39 -2.612 -1.194 5.376 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.065 -2.455 4.777 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.826 -3.088 6.740 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.156 -4.180 6.405 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.435 -4.619 4.224 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.538 -3.119 4.101 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.870 -4.775 4.323 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.979 -4.057 5.918 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.761 -6.184 6.041 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.647 -5.794 5.186 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.086 -7.417 5.729 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.184 -8.264 6.732 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.508 -8.808 6.600 1.00 0.00 H new ATOM 636 N GLU A 40 -4.743 -1.627 7.965 1.00 0.00 N ATOM 637 CA GLU A 40 -5.505 -1.323 9.177 1.00 0.00 C ATOM 638 C GLU A 40 -6.712 -0.428 8.886 1.00 0.00 C ATOM 639 O GLU A 40 -7.739 -0.530 9.550 1.00 0.00 O ATOM 640 CB GLU A 40 -4.600 -0.651 10.210 1.00 0.00 C ATOM 641 CG GLU A 40 -5.261 -0.456 11.563 1.00 0.00 C ATOM 642 CD GLU A 40 -4.374 0.289 12.540 1.00 0.00 C ATOM 643 OE1 GLU A 40 -3.563 -0.367 13.226 1.00 0.00 O ATOM 644 OE2 GLU A 40 -4.489 1.531 12.617 1.00 0.00 O ATOM 0 H GLU A 40 -3.732 -1.641 8.098 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.879 -2.267 9.573 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.700 -1.253 10.338 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.283 0.319 9.827 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.194 0.093 11.432 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.520 -1.429 11.981 1.00 0.00 H new ATOM 651 N ALA A 41 -6.590 0.432 7.882 1.00 0.00 N ATOM 652 CA ALA A 41 -7.673 1.340 7.519 1.00 0.00 C ATOM 653 C ALA A 41 -8.901 0.597 6.977 1.00 0.00 C ATOM 654 O ALA A 41 -9.875 0.370 7.699 1.00 0.00 O ATOM 655 CB ALA A 41 -7.181 2.357 6.499 1.00 0.00 C ATOM 0 H ALA A 41 -5.754 0.520 7.305 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.984 1.855 8.428 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.996 3.030 6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.359 2.932 6.926 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.835 1.838 5.605 1.00 0.00 H new ATOM 661 N PHE A 42 -8.843 0.200 5.710 1.00 0.00 N ATOM 662 CA PHE A 42 -9.970 -0.477 5.073 1.00 0.00 C ATOM 663 C PHE A 42 -10.075 -1.944 5.486 1.00 0.00 C ATOM 664 O PHE A 42 -11.173 -2.500 5.544 1.00 0.00 O ATOM 665 CB PHE A 42 -9.856 -0.358 3.553 1.00 0.00 C ATOM 666 CG PHE A 42 -10.224 1.004 3.034 1.00 0.00 C ATOM 667 CD1 PHE A 42 -9.391 2.090 3.241 1.00 0.00 C ATOM 668 CD2 PHE A 42 -11.411 1.196 2.346 1.00 0.00 C ATOM 669 CE1 PHE A 42 -9.733 3.344 2.769 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.759 2.447 1.872 1.00 0.00 C ATOM 671 CZ PHE A 42 -10.919 3.522 2.084 1.00 0.00 C ATOM 0 H PHE A 42 -8.032 0.334 5.105 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.882 0.015 5.411 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.834 -0.590 3.253 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.501 -1.103 3.088 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.463 1.956 3.777 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -12.072 0.359 2.178 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.074 4.183 2.936 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.687 2.583 1.336 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.189 4.500 1.715 1.00 0.00 H new ATOM 681 N LYS A 43 -8.938 -2.565 5.770 1.00 0.00 N ATOM 682 CA LYS A 43 -8.914 -3.968 6.170 1.00 0.00 C ATOM 683 C LYS A 43 -9.817 -4.218 7.378 1.00 0.00 C ATOM 684 O LYS A 43 -10.507 -5.235 7.436 1.00 0.00 O ATOM 685 CB LYS A 43 -7.484 -4.419 6.485 1.00 0.00 C ATOM 686 CG LYS A 43 -7.195 -5.862 6.096 1.00 0.00 C ATOM 687 CD LYS A 43 -7.369 -6.089 4.599 1.00 0.00 C ATOM 688 CE LYS A 43 -6.485 -5.161 3.777 1.00 0.00 C ATOM 689 NZ LYS A 43 -6.707 -5.336 2.316 1.00 0.00 N ATOM 0 H LYS A 43 -8.020 -2.121 5.731 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.293 -4.553 5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.784 -3.765 5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.301 -4.297 7.553 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.177 -6.120 6.387 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.862 -6.527 6.645 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.130 -7.125 4.359 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.413 -5.931 4.327 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.688 -4.126 4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.438 -5.354 4.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.867 -5.010 1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.875 -6.341 2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.534 -4.779 2.021 1.00 0.00 H new ATOM 703 N VAL A 44 -9.815 -3.297 8.345 1.00 0.00 N ATOM 704 CA VAL A 44 -10.654 -3.462 9.529 1.00 0.00 C ATOM 705 C VAL A 44 -12.126 -3.254 9.195 1.00 0.00 C ATOM 706 O VAL A 44 -12.991 -3.932 9.749 1.00 0.00 O ATOM 707 CB VAL A 44 -10.256 -2.511 10.676 1.00 0.00 C ATOM 708 CG1 VAL A 44 -8.811 -2.744 11.091 1.00 0.00 C ATOM 709 CG2 VAL A 44 -10.486 -1.061 10.284 1.00 0.00 C ATOM 0 H VAL A 44 -9.253 -2.446 8.332 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.496 -4.486 9.867 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.892 -2.728 11.534 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.551 -2.063 11.901 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.691 -3.773 11.429 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.154 -2.563 10.240 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.198 -0.411 11.110 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.885 -0.822 9.407 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.541 -0.909 10.054 1.00 0.00 H new ATOM 719 N PHE A 45 -12.414 -2.315 8.290 1.00 0.00 N ATOM 720 CA PHE A 45 -13.799 -2.058 7.900 1.00 0.00 C ATOM 721 C PHE A 45 -14.429 -3.314 7.311 1.00 0.00 C ATOM 722 O PHE A 45 -15.653 -3.429 7.229 1.00 0.00 O ATOM 723 CB PHE A 45 -13.886 -0.900 6.900 1.00 0.00 C ATOM 724 CG PHE A 45 -13.560 0.440 7.502 1.00 0.00 C ATOM 725 CD1 PHE A 45 -14.193 0.868 8.660 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.624 1.272 6.911 1.00 0.00 C ATOM 727 CE1 PHE A 45 -13.897 2.098 9.214 1.00 0.00 C ATOM 728 CE2 PHE A 45 -12.324 2.504 7.461 1.00 0.00 C ATOM 729 CZ PHE A 45 -12.960 2.917 8.615 1.00 0.00 C ATOM 0 H PHE A 45 -11.720 -1.731 7.822 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.352 -1.774 8.795 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.203 -1.093 6.072 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -14.892 -0.866 6.482 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -14.926 0.232 9.134 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -12.122 0.954 6.009 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.398 2.419 10.115 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.593 3.143 6.989 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.725 3.878 9.048 1.00 0.00 H new ATOM 739 N ASP A 46 -13.582 -4.256 6.903 1.00 0.00 N ATOM 740 CA ASP A 46 -14.051 -5.515 6.340 1.00 0.00 C ATOM 741 C ASP A 46 -14.670 -6.380 7.433 1.00 0.00 C ATOM 742 O ASP A 46 -13.980 -7.161 8.089 1.00 0.00 O ATOM 743 CB ASP A 46 -12.897 -6.259 5.666 1.00 0.00 C ATOM 744 CG ASP A 46 -13.344 -7.553 5.014 1.00 0.00 C ATOM 745 OD1 ASP A 46 -14.548 -7.678 4.706 1.00 0.00 O ATOM 746 OD2 ASP A 46 -12.489 -8.439 4.808 1.00 0.00 O ATOM 0 H ASP A 46 -12.567 -4.169 6.953 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.811 -5.300 5.589 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.443 -5.614 4.913 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.127 -6.476 6.406 1.00 0.00 H new ATOM 751 N ARG A 47 -15.976 -6.227 7.623 1.00 0.00 N ATOM 752 CA ARG A 47 -16.702 -6.970 8.646 1.00 0.00 C ATOM 753 C ARG A 47 -16.570 -8.479 8.452 1.00 0.00 C ATOM 754 O ARG A 47 -16.517 -9.232 9.425 1.00 0.00 O ATOM 755 CB ARG A 47 -18.175 -6.562 8.634 1.00 0.00 C ATOM 756 CG ARG A 47 -18.385 -5.059 8.738 1.00 0.00 C ATOM 757 CD ARG A 47 -19.857 -4.694 8.646 1.00 0.00 C ATOM 758 NE ARG A 47 -20.078 -3.259 8.813 1.00 0.00 N ATOM 759 CZ ARG A 47 -21.151 -2.620 8.356 1.00 0.00 C ATOM 760 NH1 ARG A 47 -22.095 -3.282 7.703 1.00 0.00 N ATOM 761 NH2 ARG A 47 -21.279 -1.315 8.552 1.00 0.00 N ATOM 0 H ARG A 47 -16.557 -5.590 7.077 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.263 -6.725 9.613 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -18.637 -6.924 7.715 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.687 -7.051 9.463 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.978 -4.698 9.683 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -17.834 -4.558 7.942 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.249 -5.011 7.680 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.413 -5.238 9.410 1.00 0.00 H new ATOM 0 HE ARG A 47 -19.369 -2.717 9.308 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.000 -4.286 7.549 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -22.916 -2.788 7.354 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -20.554 -0.801 9.053 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -22.102 -0.825 8.201 1.00 0.00 H new ATOM 775 N ASP A 48 -16.516 -8.920 7.199 1.00 0.00 N ATOM 776 CA ASP A 48 -16.394 -10.344 6.900 1.00 0.00 C ATOM 777 C ASP A 48 -14.964 -10.832 7.107 1.00 0.00 C ATOM 778 O ASP A 48 -14.721 -12.029 7.253 1.00 0.00 O ATOM 779 CB ASP A 48 -16.838 -10.625 5.464 1.00 0.00 C ATOM 780 CG ASP A 48 -18.239 -10.121 5.180 1.00 0.00 C ATOM 781 OD1 ASP A 48 -19.203 -10.870 5.437 1.00 0.00 O ATOM 782 OD2 ASP A 48 -18.371 -8.975 4.701 1.00 0.00 O ATOM 0 H ASP A 48 -16.554 -8.316 6.378 1.00 0.00 H new ATOM 0 HA ASP A 48 -17.042 -10.886 7.588 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -16.139 -10.155 4.772 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -16.797 -11.698 5.278 1.00 0.00 H new ATOM 787 N GLY A 49 -14.021 -9.893 7.121 1.00 0.00 N ATOM 788 CA GLY A 49 -12.624 -10.238 7.321 1.00 0.00 C ATOM 789 C GLY A 49 -12.106 -11.234 6.301 1.00 0.00 C ATOM 790 O GLY A 49 -11.070 -11.864 6.515 1.00 0.00 O ATOM 0 H GLY A 49 -14.201 -8.897 6.997 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.021 -9.331 7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.498 -10.652 8.321 1.00 0.00 H new ATOM 794 N ASN A 50 -12.819 -11.374 5.189 1.00 0.00 N ATOM 795 CA ASN A 50 -12.421 -12.304 4.137 1.00 0.00 C ATOM 796 C ASN A 50 -11.346 -11.693 3.242 1.00 0.00 C ATOM 797 O ASN A 50 -10.889 -12.322 2.289 1.00 0.00 O ATOM 798 CB ASN A 50 -13.634 -12.714 3.296 1.00 0.00 C ATOM 799 CG ASN A 50 -14.369 -11.525 2.703 1.00 0.00 C ATOM 800 OD1 ASN A 50 -14.291 -10.410 3.218 1.00 0.00 O ATOM 801 ND2 ASN A 50 -15.097 -11.762 1.617 1.00 0.00 N ATOM 0 H ASN A 50 -13.675 -10.856 4.992 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.006 -13.191 4.615 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.306 -13.371 2.490 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.322 -13.288 3.916 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -15.619 -11.004 1.178 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -15.134 -12.702 1.223 1.00 0.00 H new ATOM 808 N GLY A 51 -10.945 -10.466 3.559 1.00 0.00 N ATOM 809 CA GLY A 51 -9.927 -9.791 2.775 1.00 0.00 C ATOM 810 C GLY A 51 -10.519 -8.878 1.718 1.00 0.00 C ATOM 811 O GLY A 51 -9.825 -8.022 1.171 1.00 0.00 O ATOM 0 H GLY A 51 -11.307 -9.927 4.345 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.289 -9.207 3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.291 -10.534 2.294 1.00 0.00 H new ATOM 815 N PHE A 52 -11.805 -9.061 1.433 1.00 0.00 N ATOM 816 CA PHE A 52 -12.490 -8.248 0.435 1.00 0.00 C ATOM 817 C PHE A 52 -13.538 -7.357 1.094 1.00 0.00 C ATOM 818 O PHE A 52 -14.217 -7.774 2.033 1.00 0.00 O ATOM 819 CB PHE A 52 -13.154 -9.138 -0.617 1.00 0.00 C ATOM 820 CG PHE A 52 -12.327 -10.327 -1.010 1.00 0.00 C ATOM 821 CD1 PHE A 52 -12.448 -11.527 -0.327 1.00 0.00 C ATOM 822 CD2 PHE A 52 -11.427 -10.246 -2.060 1.00 0.00 C ATOM 823 CE1 PHE A 52 -11.689 -12.624 -0.685 1.00 0.00 C ATOM 824 CE2 PHE A 52 -10.664 -11.340 -2.423 1.00 0.00 C ATOM 825 CZ PHE A 52 -10.794 -12.531 -1.734 1.00 0.00 C ATOM 0 H PHE A 52 -12.393 -9.765 1.879 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.748 -7.616 -0.053 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -14.114 -9.485 -0.233 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.362 -8.542 -1.505 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -13.144 -11.605 0.495 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.320 -9.317 -2.601 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -11.795 -13.554 -0.146 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.967 -11.264 -3.244 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.198 -13.387 -2.015 1.00 0.00 H new ATOM 835 N ILE A 53 -13.665 -6.132 0.597 1.00 0.00 N ATOM 836 CA ILE A 53 -14.628 -5.180 1.139 1.00 0.00 C ATOM 837 C ILE A 53 -15.724 -4.867 0.121 1.00 0.00 C ATOM 838 O ILE A 53 -15.471 -4.232 -0.902 1.00 0.00 O ATOM 839 CB ILE A 53 -13.935 -3.867 1.558 1.00 0.00 C ATOM 840 CG1 ILE A 53 -12.862 -4.143 2.614 1.00 0.00 C ATOM 841 CG2 ILE A 53 -14.953 -2.866 2.084 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.742 -3.131 2.607 1.00 0.00 C ATOM 0 H ILE A 53 -13.112 -5.774 -0.182 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.078 -5.642 2.018 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.455 -3.437 0.679 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.327 -4.153 3.600 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.446 -5.136 2.448 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.443 -1.947 2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.683 -2.646 1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.463 -3.287 2.950 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.016 -3.386 3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.252 -3.137 1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.147 -2.138 2.803 1.00 0.00 H new ATOM 854 N SER A 54 -16.940 -5.318 0.413 1.00 0.00 N ATOM 855 CA SER A 54 -18.078 -5.086 -0.471 1.00 0.00 C ATOM 856 C SER A 54 -18.473 -3.612 -0.472 1.00 0.00 C ATOM 857 O SER A 54 -17.857 -2.799 0.217 1.00 0.00 O ATOM 858 CB SER A 54 -19.268 -5.949 -0.044 1.00 0.00 C ATOM 859 OG SER A 54 -20.363 -5.789 -0.929 1.00 0.00 O ATOM 0 H SER A 54 -17.163 -5.847 1.256 1.00 0.00 H new ATOM 0 HA SER A 54 -17.784 -5.364 -1.483 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.969 -6.997 -0.017 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.572 -5.678 0.967 1.00 0.00 H new ATOM 0 HG SER A 54 -21.108 -6.353 -0.633 1.00 0.00 H new ATOM 865 N LYS A 55 -19.499 -3.270 -1.246 1.00 0.00 N ATOM 866 CA LYS A 55 -19.965 -1.889 -1.329 1.00 0.00 C ATOM 867 C LYS A 55 -20.540 -1.421 0.005 1.00 0.00 C ATOM 868 O LYS A 55 -20.204 -0.340 0.492 1.00 0.00 O ATOM 869 CB LYS A 55 -21.023 -1.746 -2.427 1.00 0.00 C ATOM 870 CG LYS A 55 -20.561 -2.231 -3.793 1.00 0.00 C ATOM 871 CD LYS A 55 -20.947 -3.681 -4.034 1.00 0.00 C ATOM 872 CE LYS A 55 -22.445 -3.831 -4.248 1.00 0.00 C ATOM 873 NZ LYS A 55 -22.825 -5.238 -4.552 1.00 0.00 N ATOM 0 H LYS A 55 -20.023 -3.928 -1.823 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.107 -1.263 -1.574 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -21.913 -2.304 -2.136 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -21.314 -0.698 -2.503 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -20.999 -1.604 -4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.479 -2.125 -3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.414 -4.060 -4.906 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.638 -4.287 -3.183 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.974 -3.497 -3.356 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.761 -3.185 -5.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -23.854 -5.297 -4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -22.340 -5.549 -5.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -22.547 -5.852 -3.760 1.00 0.00 H new ATOM 887 N GLN A 56 -21.405 -2.242 0.593 1.00 0.00 N ATOM 888 CA GLN A 56 -22.037 -1.913 1.867 1.00 0.00 C ATOM 889 C GLN A 56 -20.995 -1.667 2.954 1.00 0.00 C ATOM 890 O GLN A 56 -21.179 -0.811 3.820 1.00 0.00 O ATOM 891 CB GLN A 56 -22.983 -3.037 2.296 1.00 0.00 C ATOM 892 CG GLN A 56 -24.269 -3.100 1.486 1.00 0.00 C ATOM 893 CD GLN A 56 -24.025 -3.341 0.008 1.00 0.00 C ATOM 894 OE1 GLN A 56 -23.889 -2.262 -0.755 1.00 0.00 O flip ATOM 895 NE2 GLN A 56 -23.964 -4.484 -0.445 1.00 0.00 N flip ATOM 0 H GLN A 56 -21.685 -3.143 0.206 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.609 -0.995 1.729 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.462 -3.991 2.208 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -23.234 -2.906 3.349 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -24.901 -3.896 1.879 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -24.817 -2.166 1.611 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -24.074 -5.285 0.176 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -23.804 -4.630 -1.442 1.00 0.00 H new ATOM 904 N GLU A 57 -19.904 -2.422 2.904 1.00 0.00 N ATOM 905 CA GLU A 57 -18.835 -2.283 3.886 1.00 0.00 C ATOM 906 C GLU A 57 -18.044 -0.999 3.654 1.00 0.00 C ATOM 907 O GLU A 57 -17.800 -0.228 4.586 1.00 0.00 O ATOM 908 CB GLU A 57 -17.902 -3.494 3.827 1.00 0.00 C ATOM 909 CG GLU A 57 -18.593 -4.810 4.145 1.00 0.00 C ATOM 910 CD GLU A 57 -17.674 -6.005 3.985 1.00 0.00 C ATOM 911 OE1 GLU A 57 -16.878 -6.271 4.911 1.00 0.00 O ATOM 912 OE2 GLU A 57 -17.753 -6.679 2.937 1.00 0.00 O ATOM 0 H GLU A 57 -19.736 -3.136 2.195 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.288 -2.231 4.876 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.462 -3.555 2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.082 -3.345 4.529 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -18.970 -4.780 5.167 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.456 -4.930 3.491 1.00 0.00 H new ATOM 919 N LEU A 58 -17.643 -0.772 2.406 1.00 0.00 N ATOM 920 CA LEU A 58 -16.886 0.425 2.062 1.00 0.00 C ATOM 921 C LEU A 58 -17.725 1.671 2.317 1.00 0.00 C ATOM 922 O LEU A 58 -17.195 2.774 2.447 1.00 0.00 O ATOM 923 CB LEU A 58 -16.444 0.386 0.598 1.00 0.00 C ATOM 924 CG LEU A 58 -15.343 1.382 0.232 1.00 0.00 C ATOM 925 CD1 LEU A 58 -14.047 0.651 -0.085 1.00 0.00 C ATOM 926 CD2 LEU A 58 -15.771 2.249 -0.943 1.00 0.00 C ATOM 0 H LEU A 58 -17.829 -1.397 1.622 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.997 0.458 2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.096 -0.620 0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.312 0.577 -0.034 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.170 2.032 1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.275 1.375 -0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -13.730 0.078 0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.207 -0.025 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.973 2.951 -1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -15.975 1.616 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -16.672 2.802 -0.678 1.00 0.00 H new ATOM 938 N GLY A 59 -19.041 1.482 2.386 1.00 0.00 N ATOM 939 CA GLY A 59 -19.937 2.595 2.637 1.00 0.00 C ATOM 940 C GLY A 59 -19.728 3.175 4.018 1.00 0.00 C ATOM 941 O GLY A 59 -20.034 4.341 4.267 1.00 0.00 O ATOM 0 H GLY A 59 -19.501 0.579 2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.775 3.370 1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -20.970 2.262 2.534 1.00 0.00 H new ATOM 945 N THR A 60 -19.200 2.350 4.918 1.00 0.00 N ATOM 946 CA THR A 60 -18.928 2.774 6.282 1.00 0.00 C ATOM 947 C THR A 60 -17.604 3.523 6.344 1.00 0.00 C ATOM 948 O THR A 60 -17.431 4.443 7.143 1.00 0.00 O ATOM 949 CB THR A 60 -18.879 1.572 7.244 1.00 0.00 C ATOM 950 OG1 THR A 60 -20.110 0.844 7.181 1.00 0.00 O ATOM 951 CG2 THR A 60 -18.630 2.029 8.675 1.00 0.00 C ATOM 0 H THR A 60 -18.952 1.380 4.723 1.00 0.00 H new ATOM 0 HA THR A 60 -19.739 3.433 6.592 1.00 0.00 H new ATOM 0 HB THR A 60 -18.056 0.926 6.938 1.00 0.00 H new ATOM 0 HG1 THR A 60 -19.957 -0.020 6.745 1.00 0.00 H new ATOM 0 HG21 THR A 60 -18.600 1.161 9.334 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.678 2.558 8.728 1.00 0.00 H new ATOM 0 HG23 THR A 60 -19.433 2.695 8.989 1.00 0.00 H new ATOM 959 N ALA A 61 -16.671 3.117 5.487 1.00 0.00 N ATOM 960 CA ALA A 61 -15.358 3.749 5.428 1.00 0.00 C ATOM 961 C ALA A 61 -15.463 5.182 4.914 1.00 0.00 C ATOM 962 O ALA A 61 -14.835 6.093 5.454 1.00 0.00 O ATOM 963 CB ALA A 61 -14.423 2.938 4.544 1.00 0.00 C ATOM 0 H ALA A 61 -16.801 2.353 4.824 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.950 3.781 6.438 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.446 3.421 4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.317 1.933 4.952 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.835 2.878 3.537 1.00 0.00 H new ATOM 969 N MET A 62 -16.257 5.373 3.863 1.00 0.00 N ATOM 970 CA MET A 62 -16.445 6.692 3.270 1.00 0.00 C ATOM 971 C MET A 62 -17.119 7.654 4.247 1.00 0.00 C ATOM 972 O MET A 62 -16.645 8.772 4.452 1.00 0.00 O ATOM 973 CB MET A 62 -17.282 6.579 1.993 1.00 0.00 C ATOM 974 CG MET A 62 -16.625 5.742 0.908 1.00 0.00 C ATOM 975 SD MET A 62 -15.205 6.563 0.160 1.00 0.00 S ATOM 976 CE MET A 62 -16.002 7.951 -0.645 1.00 0.00 C ATOM 0 H MET A 62 -16.781 4.628 3.404 1.00 0.00 H new ATOM 0 HA MET A 62 -15.460 7.092 3.027 1.00 0.00 H new ATOM 0 HB2 MET A 62 -18.250 6.143 2.240 1.00 0.00 H new ATOM 0 HB3 MET A 62 -17.473 7.579 1.604 1.00 0.00 H new ATOM 0 HG2 MET A 62 -16.307 4.790 1.332 1.00 0.00 H new ATOM 0 HG3 MET A 62 -17.359 5.517 0.134 1.00 0.00 H new ATOM 0 HE1 MET A 62 -15.372 8.310 -1.459 1.00 0.00 H new ATOM 0 HE2 MET A 62 -16.966 7.636 -1.044 1.00 0.00 H new ATOM 0 HE3 MET A 62 -16.154 8.753 0.078 1.00 0.00 H new ATOM 986 N ARG A 63 -18.224 7.217 4.846 1.00 0.00 N ATOM 987 CA ARG A 63 -18.956 8.049 5.795 1.00 0.00 C ATOM 988 C ARG A 63 -18.101 8.363 7.019 1.00 0.00 C ATOM 989 O ARG A 63 -18.302 9.380 7.684 1.00 0.00 O ATOM 990 CB ARG A 63 -20.253 7.361 6.227 1.00 0.00 C ATOM 991 CG ARG A 63 -20.036 6.088 7.027 1.00 0.00 C ATOM 992 CD ARG A 63 -21.355 5.484 7.478 1.00 0.00 C ATOM 993 NE ARG A 63 -22.135 6.421 8.282 1.00 0.00 N ATOM 994 CZ ARG A 63 -23.419 6.247 8.585 1.00 0.00 C ATOM 995 NH1 ARG A 63 -24.068 5.171 8.161 1.00 0.00 N ATOM 996 NH2 ARG A 63 -24.057 7.153 9.314 1.00 0.00 N ATOM 0 H ARG A 63 -18.631 6.294 4.691 1.00 0.00 H new ATOM 0 HA ARG A 63 -19.203 8.986 5.295 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.841 8.058 6.824 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -20.841 7.126 5.340 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.491 5.364 6.421 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -19.417 6.305 7.898 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -21.935 5.184 6.605 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -21.162 4.581 8.058 1.00 0.00 H new ATOM 0 HE ARG A 63 -21.668 7.258 8.632 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -23.583 4.471 7.599 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -25.052 5.043 8.397 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -23.563 7.983 9.642 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -25.041 7.020 9.546 1.00 0.00 H new ATOM 1010 N SER A 64 -17.156 7.476 7.318 1.00 0.00 N ATOM 1011 CA SER A 64 -16.263 7.665 8.457 1.00 0.00 C ATOM 1012 C SER A 64 -15.539 9.004 8.362 1.00 0.00 C ATOM 1013 O SER A 64 -15.320 9.675 9.371 1.00 0.00 O ATOM 1014 CB SER A 64 -15.245 6.525 8.533 1.00 0.00 C ATOM 1015 OG SER A 64 -14.395 6.675 9.657 1.00 0.00 O ATOM 0 H SER A 64 -16.989 6.621 6.788 1.00 0.00 H new ATOM 0 HA SER A 64 -16.867 7.661 9.364 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.767 5.570 8.593 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.648 6.505 7.621 1.00 0.00 H new ATOM 0 HG SER A 64 -13.755 5.934 9.684 1.00 0.00 H new ATOM 1021 N LEU A 65 -15.172 9.388 7.143 1.00 0.00 N ATOM 1022 CA LEU A 65 -14.475 10.649 6.914 1.00 0.00 C ATOM 1023 C LEU A 65 -15.434 11.829 7.038 1.00 0.00 C ATOM 1024 O LEU A 65 -15.009 12.977 7.178 1.00 0.00 O ATOM 1025 CB LEU A 65 -13.825 10.655 5.528 1.00 0.00 C ATOM 1026 CG LEU A 65 -13.001 9.413 5.187 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -12.381 9.550 3.806 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.923 9.177 6.236 1.00 0.00 C ATOM 0 H LEU A 65 -15.346 8.843 6.298 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.699 10.748 7.673 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.608 10.768 4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.181 11.531 5.451 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.667 8.550 5.183 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.798 8.658 3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.170 9.667 3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.730 10.424 3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.349 8.288 5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.259 10.040 6.275 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.389 9.033 7.211 1.00 0.00 H new ATOM 1040 N GLY A 66 -16.728 11.535 6.987 1.00 0.00 N ATOM 1041 CA GLY A 66 -17.733 12.575 7.088 1.00 0.00 C ATOM 1042 C GLY A 66 -18.501 12.761 5.796 1.00 0.00 C ATOM 1043 O GLY A 66 -19.127 13.799 5.581 1.00 0.00 O ATOM 0 H GLY A 66 -17.099 10.591 6.877 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -18.429 12.327 7.889 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.254 13.515 7.361 1.00 0.00 H new ATOM 1047 N TYR A 67 -18.453 11.751 4.932 1.00 0.00 N ATOM 1048 CA TYR A 67 -19.150 11.803 3.651 1.00 0.00 C ATOM 1049 C TYR A 67 -20.108 10.626 3.503 1.00 0.00 C ATOM 1050 O TYR A 67 -19.704 9.533 3.107 1.00 0.00 O ATOM 1051 CB TYR A 67 -18.143 11.804 2.499 1.00 0.00 C ATOM 1052 CG TYR A 67 -17.184 12.972 2.533 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -17.559 14.217 2.044 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -15.904 12.829 3.053 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -16.684 15.287 2.072 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -15.024 13.894 3.084 1.00 0.00 C ATOM 1057 CZ TYR A 67 -15.420 15.120 2.594 1.00 0.00 C ATOM 1058 OH TYR A 67 -14.546 16.183 2.623 1.00 0.00 O ATOM 0 H TYR A 67 -17.938 10.886 5.096 1.00 0.00 H new ATOM 0 HA TYR A 67 -19.730 12.725 3.619 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -17.572 10.876 2.526 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -18.685 11.818 1.554 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -18.550 14.351 1.636 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -15.591 11.870 3.439 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.990 16.249 1.687 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.031 13.766 3.490 1.00 0.00 H new ATOM 0 HH TYR A 67 -13.698 15.898 3.023 1.00 0.00 H new ATOM 1068 N MET A 68 -21.378 10.859 3.822 1.00 0.00 N ATOM 1069 CA MET A 68 -22.397 9.819 3.727 1.00 0.00 C ATOM 1070 C MET A 68 -22.604 9.391 2.272 1.00 0.00 C ATOM 1071 O MET A 68 -23.127 10.161 1.467 1.00 0.00 O ATOM 1072 CB MET A 68 -23.719 10.322 4.311 1.00 0.00 C ATOM 1073 CG MET A 68 -24.820 9.272 4.321 1.00 0.00 C ATOM 1074 SD MET A 68 -24.404 7.842 5.339 1.00 0.00 S ATOM 1075 CE MET A 68 -25.884 6.850 5.157 1.00 0.00 C ATOM 0 H MET A 68 -21.726 11.760 4.149 1.00 0.00 H new ATOM 0 HA MET A 68 -22.056 8.955 4.298 1.00 0.00 H new ATOM 0 HB2 MET A 68 -23.548 10.667 5.331 1.00 0.00 H new ATOM 0 HB3 MET A 68 -24.056 11.184 3.735 1.00 0.00 H new ATOM 0 HG2 MET A 68 -25.742 9.721 4.691 1.00 0.00 H new ATOM 0 HG3 MET A 68 -25.013 8.943 3.300 1.00 0.00 H new ATOM 0 HE1 MET A 68 -25.778 5.930 5.731 1.00 0.00 H new ATOM 0 HE2 MET A 68 -26.744 7.409 5.524 1.00 0.00 H new ATOM 0 HE3 MET A 68 -26.032 6.606 4.105 1.00 0.00 H new ATOM 1085 N PRO A 69 -22.196 8.157 1.910 1.00 0.00 N ATOM 1086 CA PRO A 69 -22.342 7.651 0.548 1.00 0.00 C ATOM 1087 C PRO A 69 -23.707 7.019 0.298 1.00 0.00 C ATOM 1088 O PRO A 69 -24.163 6.173 1.069 1.00 0.00 O ATOM 1089 CB PRO A 69 -21.244 6.595 0.469 1.00 0.00 C ATOM 1090 CG PRO A 69 -21.151 6.046 1.854 1.00 0.00 C ATOM 1091 CD PRO A 69 -21.559 7.158 2.793 1.00 0.00 C ATOM 0 HA PRO A 69 -22.264 8.442 -0.198 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.494 5.816 -0.251 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.297 7.031 0.151 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.804 5.181 1.972 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -20.137 5.711 2.070 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -22.251 6.802 3.557 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.698 7.577 3.313 1.00 0.00 H new ATOM 1099 N ASN A 70 -24.353 7.437 -0.785 1.00 0.00 N ATOM 1100 CA ASN A 70 -25.662 6.907 -1.149 1.00 0.00 C ATOM 1101 C ASN A 70 -25.534 5.479 -1.654 1.00 0.00 C ATOM 1102 O ASN A 70 -24.477 5.080 -2.142 1.00 0.00 O ATOM 1103 CB ASN A 70 -26.298 7.774 -2.239 1.00 0.00 C ATOM 1104 CG ASN A 70 -26.442 9.220 -1.821 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -26.175 10.135 -2.599 1.00 0.00 O ATOM 1106 ND2 ASN A 70 -26.882 9.429 -0.592 1.00 0.00 N ATOM 0 H ASN A 70 -23.991 8.142 -1.427 1.00 0.00 H new ATOM 0 HA ASN A 70 -26.295 6.918 -0.261 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -25.690 7.719 -3.142 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -27.280 7.373 -2.491 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -27.013 10.382 -0.252 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -27.090 8.637 0.017 1.00 0.00 H new ATOM 1113 N GLU A 71 -26.612 4.710 -1.535 1.00 0.00 N ATOM 1114 CA GLU A 71 -26.611 3.332 -2.006 1.00 0.00 C ATOM 1115 C GLU A 71 -26.330 3.306 -3.503 1.00 0.00 C ATOM 1116 O GLU A 71 -25.977 2.272 -4.068 1.00 0.00 O ATOM 1117 CB GLU A 71 -27.953 2.659 -1.709 1.00 0.00 C ATOM 1118 CG GLU A 71 -29.135 3.338 -2.380 1.00 0.00 C ATOM 1119 CD GLU A 71 -30.433 2.579 -2.180 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -30.748 1.709 -3.020 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -31.134 2.853 -1.185 1.00 0.00 O ATOM 0 H GLU A 71 -27.491 5.016 -1.119 1.00 0.00 H new ATOM 0 HA GLU A 71 -25.830 2.781 -1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -27.909 1.620 -2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -28.114 2.649 -0.631 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -29.243 4.347 -1.983 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -28.936 3.435 -3.447 1.00 0.00 H new ATOM 1128 N VAL A 72 -26.505 4.464 -4.134 1.00 0.00 N ATOM 1129 CA VAL A 72 -26.269 4.616 -5.562 1.00 0.00 C ATOM 1130 C VAL A 72 -24.827 5.042 -5.837 1.00 0.00 C ATOM 1131 O VAL A 72 -24.257 4.706 -6.874 1.00 0.00 O ATOM 1132 CB VAL A 72 -27.234 5.656 -6.169 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -27.151 6.973 -5.407 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -26.942 5.868 -7.648 1.00 0.00 C ATOM 0 H VAL A 72 -26.813 5.318 -3.670 1.00 0.00 H new ATOM 0 HA VAL A 72 -26.447 3.647 -6.028 1.00 0.00 H new ATOM 0 HB VAL A 72 -28.250 5.272 -6.078 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -27.839 7.694 -5.850 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -27.421 6.808 -4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -26.134 7.361 -5.461 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -27.635 6.605 -8.054 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -25.920 6.226 -7.769 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -27.062 4.925 -8.181 1.00 0.00 H new ATOM 1144 N GLU A 73 -24.245 5.783 -4.895 1.00 0.00 N ATOM 1145 CA GLU A 73 -22.873 6.267 -5.036 1.00 0.00 C ATOM 1146 C GLU A 73 -21.856 5.147 -4.832 1.00 0.00 C ATOM 1147 O GLU A 73 -20.947 4.971 -5.641 1.00 0.00 O ATOM 1148 CB GLU A 73 -22.601 7.398 -4.040 1.00 0.00 C ATOM 1149 CG GLU A 73 -23.445 8.642 -4.277 1.00 0.00 C ATOM 1150 CD GLU A 73 -23.315 9.174 -5.692 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -24.103 8.746 -6.561 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -22.425 10.017 -5.930 1.00 0.00 O ATOM 0 H GLU A 73 -24.702 6.061 -4.027 1.00 0.00 H new ATOM 0 HA GLU A 73 -22.763 6.644 -6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -22.786 7.032 -3.030 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -21.547 7.670 -4.093 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -24.491 8.411 -4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -23.147 9.418 -3.572 1.00 0.00 H new ATOM 1159 N LEU A 74 -22.013 4.392 -3.749 1.00 0.00 N ATOM 1160 CA LEU A 74 -21.096 3.295 -3.440 1.00 0.00 C ATOM 1161 C LEU A 74 -20.981 2.311 -4.604 1.00 0.00 C ATOM 1162 O LEU A 74 -20.074 1.478 -4.634 1.00 0.00 O ATOM 1163 CB LEU A 74 -21.542 2.566 -2.168 1.00 0.00 C ATOM 1164 CG LEU A 74 -23.037 2.253 -2.074 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -23.399 1.059 -2.945 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -23.435 1.999 -0.628 1.00 0.00 C ATOM 0 H LEU A 74 -22.764 4.518 -3.071 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.110 3.728 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -20.988 1.630 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.261 3.172 -1.306 1.00 0.00 H new ATOM 0 HG LEU A 74 -23.590 3.118 -2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -24.467 0.857 -2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.152 1.278 -3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -22.837 0.185 -2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.501 1.778 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -22.870 1.152 -0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.220 2.885 -0.030 1.00 0.00 H new ATOM 1178 N GLU A 75 -21.898 2.411 -5.560 1.00 0.00 N ATOM 1179 CA GLU A 75 -21.891 1.527 -6.719 1.00 0.00 C ATOM 1180 C GLU A 75 -20.873 1.986 -7.762 1.00 0.00 C ATOM 1181 O GLU A 75 -20.223 1.163 -8.407 1.00 0.00 O ATOM 1182 CB GLU A 75 -23.284 1.462 -7.349 1.00 0.00 C ATOM 1183 CG GLU A 75 -24.352 0.918 -6.414 1.00 0.00 C ATOM 1184 CD GLU A 75 -25.698 0.768 -7.095 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -26.399 1.789 -7.261 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -26.052 -0.372 -7.465 1.00 0.00 O ATOM 0 H GLU A 75 -22.655 3.095 -5.555 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.605 0.533 -6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -23.573 2.461 -7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -23.241 0.836 -8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -24.034 -0.051 -6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -24.454 1.584 -5.557 1.00 0.00 H new ATOM 1193 N VAL A 76 -20.737 3.300 -7.924 1.00 0.00 N ATOM 1194 CA VAL A 76 -19.800 3.853 -8.897 1.00 0.00 C ATOM 1195 C VAL A 76 -18.392 3.958 -8.323 1.00 0.00 C ATOM 1196 O VAL A 76 -17.413 4.016 -9.065 1.00 0.00 O ATOM 1197 CB VAL A 76 -20.247 5.243 -9.397 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -21.616 5.161 -10.049 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -20.255 6.252 -8.259 1.00 0.00 C ATOM 0 H VAL A 76 -21.261 3.998 -7.397 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.791 3.161 -9.739 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.529 5.582 -10.144 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -21.914 6.151 -10.395 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -21.575 4.477 -10.897 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -22.343 4.796 -9.324 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -20.573 7.224 -8.637 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -20.945 5.920 -7.483 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.252 6.336 -7.840 1.00 0.00 H new ATOM 1209 N ILE A 77 -18.298 3.995 -7.000 1.00 0.00 N ATOM 1210 CA ILE A 77 -17.011 4.096 -6.325 1.00 0.00 C ATOM 1211 C ILE A 77 -16.321 2.735 -6.219 1.00 0.00 C ATOM 1212 O ILE A 77 -15.092 2.650 -6.222 1.00 0.00 O ATOM 1213 CB ILE A 77 -17.180 4.699 -4.916 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -17.768 6.106 -5.017 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -15.850 4.726 -4.177 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -18.798 6.404 -3.953 1.00 0.00 C ATOM 0 H ILE A 77 -19.101 3.956 -6.372 1.00 0.00 H new ATOM 0 HA ILE A 77 -16.384 4.754 -6.927 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.867 4.071 -4.349 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -16.961 6.835 -4.945 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.224 6.231 -5.999 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -15.993 5.155 -3.185 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.467 3.710 -4.081 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.136 5.332 -4.735 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.173 7.419 -4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -19.624 5.698 -4.038 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -18.341 6.311 -2.968 1.00 0.00 H new ATOM 1228 N ILE A 78 -17.119 1.675 -6.136 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.587 0.319 -6.013 1.00 0.00 C ATOM 1230 C ILE A 78 -16.226 -0.280 -7.374 1.00 0.00 C ATOM 1231 O ILE A 78 -15.415 -1.202 -7.456 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.594 -0.603 -5.285 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.647 -0.250 -3.795 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -17.242 -2.076 -5.473 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -16.364 -0.556 -3.049 1.00 0.00 C ATOM 0 H ILE A 78 -18.138 1.727 -6.152 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.673 0.389 -5.423 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.578 -0.442 -5.725 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -17.873 0.811 -3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -18.466 -0.798 -3.330 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -17.970 -2.694 -4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -17.256 -2.321 -6.535 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -16.247 -2.267 -5.070 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.478 -0.279 -2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -16.146 -1.622 -3.122 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.544 0.013 -3.487 1.00 0.00 H new ATOM 1247 N GLN A 79 -16.804 0.259 -8.442 1.00 0.00 N ATOM 1248 CA GLN A 79 -16.535 -0.250 -9.784 1.00 0.00 C ATOM 1249 C GLN A 79 -15.214 0.297 -10.319 1.00 0.00 C ATOM 1250 O GLN A 79 -14.691 -0.187 -11.323 1.00 0.00 O ATOM 1251 CB GLN A 79 -17.685 0.104 -10.730 1.00 0.00 C ATOM 1252 CG GLN A 79 -17.857 1.597 -10.966 1.00 0.00 C ATOM 1253 CD GLN A 79 -16.939 2.129 -12.049 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -16.571 1.408 -12.978 1.00 0.00 O ATOM 1255 NE2 GLN A 79 -16.565 3.399 -11.938 1.00 0.00 N ATOM 0 H GLN A 79 -17.457 1.042 -8.407 1.00 0.00 H new ATOM 0 HA GLN A 79 -16.454 -1.335 -9.727 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.518 -0.388 -11.688 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -18.613 -0.298 -10.323 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.892 1.800 -11.241 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -17.663 2.132 -10.036 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -16.893 3.961 -11.152 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -15.950 3.813 -12.638 1.00 0.00 H new ATOM 1264 N ARG A 80 -14.683 1.309 -9.638 1.00 0.00 N ATOM 1265 CA ARG A 80 -13.420 1.922 -10.037 1.00 0.00 C ATOM 1266 C ARG A 80 -12.243 1.034 -9.647 1.00 0.00 C ATOM 1267 O ARG A 80 -11.348 0.781 -10.454 1.00 0.00 O ATOM 1268 CB ARG A 80 -13.266 3.297 -9.388 1.00 0.00 C ATOM 1269 CG ARG A 80 -14.417 4.239 -9.688 1.00 0.00 C ATOM 1270 CD ARG A 80 -14.144 5.634 -9.159 1.00 0.00 C ATOM 1271 NE ARG A 80 -15.311 6.505 -9.280 1.00 0.00 N ATOM 1272 CZ ARG A 80 -15.460 7.637 -8.601 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -14.522 8.034 -7.750 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -16.548 8.376 -8.769 1.00 0.00 N ATOM 0 H ARG A 80 -15.108 1.722 -8.808 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.428 2.039 -11.121 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.180 3.173 -8.308 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.336 3.750 -9.732 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.582 4.283 -10.765 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -15.332 3.851 -9.241 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -13.845 5.573 -8.113 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.308 6.071 -9.705 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.053 6.228 -9.922 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.683 7.469 -7.616 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -14.640 8.904 -7.230 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.273 8.076 -9.421 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -16.660 9.245 -8.246 1.00 0.00 H new ATOM 1288 N LEU A 81 -12.256 0.565 -8.405 1.00 0.00 N ATOM 1289 CA LEU A 81 -11.194 -0.296 -7.895 1.00 0.00 C ATOM 1290 C LEU A 81 -11.392 -1.739 -8.349 1.00 0.00 C ATOM 1291 O LEU A 81 -10.437 -2.415 -8.728 1.00 0.00 O ATOM 1292 CB LEU A 81 -11.149 -0.239 -6.365 1.00 0.00 C ATOM 1293 CG LEU A 81 -10.679 1.090 -5.767 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -11.713 2.185 -5.991 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -10.388 0.929 -4.283 1.00 0.00 C ATOM 0 H LEU A 81 -12.993 0.767 -7.730 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.248 0.068 -8.297 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.146 -0.457 -5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.490 -1.031 -6.009 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.760 1.384 -6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.355 3.118 -5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.874 2.321 -7.061 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.652 1.901 -5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.055 1.882 -3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.293 0.608 -3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.607 0.181 -4.144 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.638 -2.203 -8.306 1.00 0.00 N ATOM 1308 CA ASP A 82 -12.966 -3.567 -8.706 1.00 0.00 C ATOM 1309 C ASP A 82 -12.716 -3.779 -10.199 1.00 0.00 C ATOM 1310 O ASP A 82 -13.624 -3.631 -11.018 1.00 0.00 O ATOM 1311 CB ASP A 82 -14.424 -3.874 -8.365 1.00 0.00 C ATOM 1312 CG ASP A 82 -14.777 -5.330 -8.574 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -13.849 -6.165 -8.634 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -15.982 -5.638 -8.670 1.00 0.00 O ATOM 0 H ASP A 82 -13.439 -1.652 -7.997 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.318 -4.250 -8.156 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.615 -3.603 -7.327 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.075 -3.254 -8.981 1.00 0.00 H new ATOM 1319 N MET A 83 -11.478 -4.124 -10.540 1.00 0.00 N ATOM 1320 CA MET A 83 -11.092 -4.349 -11.930 1.00 0.00 C ATOM 1321 C MET A 83 -11.701 -5.633 -12.493 1.00 0.00 C ATOM 1322 O MET A 83 -12.371 -5.606 -13.526 1.00 0.00 O ATOM 1323 CB MET A 83 -9.568 -4.409 -12.050 1.00 0.00 C ATOM 1324 CG MET A 83 -8.875 -3.110 -11.674 1.00 0.00 C ATOM 1325 SD MET A 83 -9.316 -1.745 -12.768 1.00 0.00 S ATOM 1326 CE MET A 83 -8.328 -0.422 -12.075 1.00 0.00 C ATOM 0 H MET A 83 -10.721 -4.255 -9.869 1.00 0.00 H new ATOM 0 HA MET A 83 -11.477 -3.512 -12.513 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.193 -5.209 -11.411 1.00 0.00 H new ATOM 0 HB3 MET A 83 -9.303 -4.669 -13.075 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.135 -2.847 -10.649 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.795 -3.258 -11.701 1.00 0.00 H new ATOM 0 HE1 MET A 83 -8.492 0.492 -12.645 1.00 0.00 H new ATOM 0 HE2 MET A 83 -8.616 -0.258 -11.037 1.00 0.00 H new ATOM 0 HE3 MET A 83 -7.273 -0.693 -12.121 1.00 0.00 H new ATOM 1336 N ASP A 84 -11.467 -6.753 -11.814 1.00 0.00 N ATOM 1337 CA ASP A 84 -11.980 -8.042 -12.269 1.00 0.00 C ATOM 1338 C ASP A 84 -13.503 -8.117 -12.159 1.00 0.00 C ATOM 1339 O ASP A 84 -14.131 -9.005 -12.736 1.00 0.00 O ATOM 1340 CB ASP A 84 -11.334 -9.183 -11.480 1.00 0.00 C ATOM 1341 CG ASP A 84 -11.567 -9.067 -9.988 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -11.131 -8.059 -9.393 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -12.179 -9.988 -9.412 1.00 0.00 O ATOM 0 H ASP A 84 -10.927 -6.794 -10.950 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.719 -8.145 -13.322 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.732 -10.134 -11.833 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.262 -9.194 -11.676 1.00 0.00 H new ATOM 1348 N GLY A 85 -14.088 -7.182 -11.415 1.00 0.00 N ATOM 1349 CA GLY A 85 -15.532 -7.150 -11.258 1.00 0.00 C ATOM 1350 C GLY A 85 -16.071 -8.283 -10.404 1.00 0.00 C ATOM 1351 O GLY A 85 -17.054 -8.927 -10.771 1.00 0.00 O ATOM 0 H GLY A 85 -13.587 -6.445 -10.918 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.820 -6.199 -10.811 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.998 -7.193 -12.242 1.00 0.00 H new ATOM 1355 N ASP A 86 -15.437 -8.525 -9.260 1.00 0.00 N ATOM 1356 CA ASP A 86 -15.870 -9.587 -8.357 1.00 0.00 C ATOM 1357 C ASP A 86 -16.834 -9.051 -7.303 1.00 0.00 C ATOM 1358 O ASP A 86 -17.194 -9.756 -6.360 1.00 0.00 O ATOM 1359 CB ASP A 86 -14.665 -10.233 -7.672 1.00 0.00 C ATOM 1360 CG ASP A 86 -13.895 -9.252 -6.809 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -13.044 -8.520 -7.358 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -14.142 -9.217 -5.585 1.00 0.00 O ATOM 0 H ASP A 86 -14.623 -8.001 -8.937 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.388 -10.339 -8.953 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.004 -11.066 -7.056 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.999 -10.647 -8.429 1.00 0.00 H new ATOM 1367 N GLY A 87 -17.249 -7.800 -7.471 1.00 0.00 N ATOM 1368 CA GLY A 87 -18.165 -7.188 -6.526 1.00 0.00 C ATOM 1369 C GLY A 87 -17.454 -6.637 -5.304 1.00 0.00 C ATOM 1370 O GLY A 87 -18.022 -5.846 -4.552 1.00 0.00 O ATOM 0 H GLY A 87 -16.967 -7.199 -8.245 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.708 -6.383 -7.021 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.904 -7.925 -6.211 1.00 0.00 H new ATOM 1374 N GLN A 88 -16.207 -7.060 -5.106 1.00 0.00 N ATOM 1375 CA GLN A 88 -15.414 -6.607 -3.968 1.00 0.00 C ATOM 1376 C GLN A 88 -14.024 -6.160 -4.416 1.00 0.00 C ATOM 1377 O GLN A 88 -13.571 -6.508 -5.506 1.00 0.00 O ATOM 1378 CB GLN A 88 -15.295 -7.724 -2.931 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.632 -8.190 -2.381 1.00 0.00 C ATOM 1380 CD GLN A 88 -16.485 -9.270 -1.327 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -16.367 -8.858 -0.072 1.00 0.00 O flip ATOM 1382 NE2 GLN A 88 -16.478 -10.461 -1.640 1.00 0.00 N flip ATOM 0 H GLN A 88 -15.725 -7.716 -5.720 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.921 -5.754 -3.518 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.781 -8.573 -3.382 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.673 -7.377 -2.106 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -17.161 -7.339 -1.952 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -17.246 -8.567 -3.199 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -16.572 -10.732 -2.619 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.378 -11.177 -0.920 1.00 0.00 H new ATOM 1391 N VAL A 89 -13.352 -5.387 -3.564 1.00 0.00 N ATOM 1392 CA VAL A 89 -12.015 -4.889 -3.871 1.00 0.00 C ATOM 1393 C VAL A 89 -10.948 -5.633 -3.073 1.00 0.00 C ATOM 1394 O VAL A 89 -11.072 -5.801 -1.859 1.00 0.00 O ATOM 1395 CB VAL A 89 -11.898 -3.380 -3.580 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.515 -2.864 -3.950 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -12.978 -2.608 -4.320 1.00 0.00 C ATOM 0 H VAL A 89 -13.713 -5.093 -2.656 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.852 -5.062 -4.935 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.040 -3.226 -2.510 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.456 -1.797 -3.736 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.761 -3.393 -3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.336 -3.032 -5.012 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.879 -1.545 -4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -12.871 -2.770 -5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -13.959 -2.955 -3.997 1.00 0.00 H new ATOM 1407 N ASP A 90 -9.900 -6.073 -3.765 1.00 0.00 N ATOM 1408 CA ASP A 90 -8.806 -6.797 -3.126 1.00 0.00 C ATOM 1409 C ASP A 90 -7.702 -5.841 -2.680 1.00 0.00 C ATOM 1410 O ASP A 90 -7.564 -4.744 -3.222 1.00 0.00 O ATOM 1411 CB ASP A 90 -8.236 -7.845 -4.084 1.00 0.00 C ATOM 1412 CG ASP A 90 -7.095 -8.633 -3.471 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -7.370 -9.642 -2.787 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -5.926 -8.243 -3.677 1.00 0.00 O ATOM 0 H ASP A 90 -9.786 -5.940 -4.770 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.202 -7.298 -2.242 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.029 -8.531 -4.380 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.886 -7.352 -4.991 1.00 0.00 H new ATOM 1419 N PHE A 91 -6.924 -6.263 -1.684 1.00 0.00 N ATOM 1420 CA PHE A 91 -5.831 -5.448 -1.153 1.00 0.00 C ATOM 1421 C PHE A 91 -4.953 -4.879 -2.266 1.00 0.00 C ATOM 1422 O PHE A 91 -4.835 -3.664 -2.405 1.00 0.00 O ATOM 1423 CB PHE A 91 -4.974 -6.276 -0.189 1.00 0.00 C ATOM 1424 CG PHE A 91 -3.721 -5.576 0.261 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -3.788 -4.365 0.934 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -2.475 -6.129 0.011 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -2.637 -3.721 1.346 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.320 -5.490 0.422 1.00 0.00 C ATOM 1429 CZ PHE A 91 -1.402 -4.283 1.090 1.00 0.00 C ATOM 0 H PHE A 91 -7.031 -7.168 -1.227 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.278 -4.610 -0.618 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.571 -6.531 0.686 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.702 -7.214 -0.673 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.751 -3.920 1.138 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.405 -7.071 -0.512 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.703 -2.778 1.868 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.356 -5.933 0.221 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.502 -3.780 1.411 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.339 -5.766 -3.047 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.458 -5.365 -4.144 1.00 0.00 C ATOM 1441 C GLU A 92 -4.054 -4.226 -4.971 1.00 0.00 C ATOM 1442 O GLU A 92 -3.434 -3.177 -5.136 1.00 0.00 O ATOM 1443 CB GLU A 92 -3.167 -6.564 -5.047 1.00 0.00 C ATOM 1444 CG GLU A 92 -2.417 -7.683 -4.343 1.00 0.00 C ATOM 1445 CD GLU A 92 -2.187 -8.885 -5.238 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -1.184 -8.888 -5.982 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -3.008 -9.824 -5.193 1.00 0.00 O ATOM 0 H GLU A 92 -4.436 -6.776 -2.939 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.530 -5.003 -3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.108 -6.955 -5.434 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.584 -6.230 -5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.456 -7.307 -3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.978 -7.993 -3.462 1.00 0.00 H new ATOM 1454 N GLU A 93 -5.253 -4.440 -5.497 1.00 0.00 N ATOM 1455 CA GLU A 93 -5.921 -3.429 -6.309 1.00 0.00 C ATOM 1456 C GLU A 93 -5.964 -2.077 -5.595 1.00 0.00 C ATOM 1457 O GLU A 93 -5.903 -1.025 -6.232 1.00 0.00 O ATOM 1458 CB GLU A 93 -7.340 -3.885 -6.648 1.00 0.00 C ATOM 1459 CG GLU A 93 -7.388 -5.214 -7.387 1.00 0.00 C ATOM 1460 CD GLU A 93 -8.804 -5.701 -7.625 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -9.401 -5.311 -8.650 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -9.314 -6.473 -6.786 1.00 0.00 O ATOM 0 H GLU A 93 -5.783 -5.303 -5.377 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.349 -3.306 -7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.916 -3.969 -5.727 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.823 -3.121 -7.257 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.878 -5.111 -8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.842 -5.963 -6.814 1.00 0.00 H new ATOM 1469 N PHE A 94 -6.057 -2.114 -4.268 1.00 0.00 N ATOM 1470 CA PHE A 94 -6.122 -0.892 -3.470 1.00 0.00 C ATOM 1471 C PHE A 94 -4.734 -0.404 -3.046 1.00 0.00 C ATOM 1472 O PHE A 94 -4.565 0.766 -2.700 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.994 -1.123 -2.231 1.00 0.00 C ATOM 1474 CG PHE A 94 -7.177 0.105 -1.383 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -7.813 1.226 -1.890 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -6.711 0.136 -0.078 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -7.981 2.356 -1.114 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -6.875 1.264 0.704 1.00 0.00 C ATOM 1479 CZ PHE A 94 -7.512 2.375 0.185 1.00 0.00 C ATOM 0 H PHE A 94 -6.089 -2.976 -3.723 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.565 -0.117 -4.095 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.972 -1.484 -2.548 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.546 -1.910 -1.624 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -8.182 1.216 -2.905 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -6.214 -0.731 0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.478 3.223 -1.522 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.506 1.277 1.719 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.643 3.257 0.794 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.744 -1.292 -3.075 1.00 0.00 N ATOM 1490 CA VAL A 95 -2.390 -0.925 -2.671 1.00 0.00 C ATOM 1491 C VAL A 95 -1.653 -0.185 -3.785 1.00 0.00 C ATOM 1492 O VAL A 95 -0.776 0.636 -3.520 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.566 -2.159 -2.229 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -0.957 -2.885 -3.423 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -0.483 -1.748 -1.243 1.00 0.00 C ATOM 0 H VAL A 95 -3.852 -2.262 -3.371 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.494 -0.256 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.246 -2.853 -1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.386 -3.745 -3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.752 -3.223 -4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.297 -2.207 -3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.087 -2.627 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.184 -1.027 -1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.943 -1.296 -0.365 1.00 0.00 H new ATOM 1505 N THR A 96 -2.013 -0.478 -5.032 1.00 0.00 N ATOM 1506 CA THR A 96 -1.383 0.166 -6.179 1.00 0.00 C ATOM 1507 C THR A 96 -2.010 1.529 -6.452 1.00 0.00 C ATOM 1508 O THR A 96 -1.307 2.508 -6.705 1.00 0.00 O ATOM 1509 CB THR A 96 -1.501 -0.706 -7.444 1.00 0.00 C ATOM 1510 OG1 THR A 96 -0.927 -1.997 -7.206 1.00 0.00 O ATOM 1511 CG2 THR A 96 -0.802 -0.049 -8.626 1.00 0.00 C ATOM 0 H THR A 96 -2.736 -1.156 -5.273 1.00 0.00 H new ATOM 0 HA THR A 96 -0.329 0.296 -5.934 1.00 0.00 H new ATOM 0 HB THR A 96 -2.559 -0.815 -7.682 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.008 -2.545 -8.014 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.900 -0.685 -9.506 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.259 0.920 -8.826 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.254 0.089 -8.394 1.00 0.00 H new ATOM 1519 N LEU A 97 -3.338 1.586 -6.398 1.00 0.00 N ATOM 1520 CA LEU A 97 -4.060 2.830 -6.637 1.00 0.00 C ATOM 1521 C LEU A 97 -3.736 3.861 -5.562 1.00 0.00 C ATOM 1522 O LEU A 97 -3.824 5.066 -5.796 1.00 0.00 O ATOM 1523 CB LEU A 97 -5.567 2.568 -6.676 1.00 0.00 C ATOM 1524 CG LEU A 97 -6.042 1.704 -7.846 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -7.514 1.357 -7.691 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -5.799 2.420 -9.167 1.00 0.00 C ATOM 0 H LEU A 97 -3.935 0.785 -6.191 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.743 3.228 -7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.861 2.085 -5.744 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.086 3.525 -6.716 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.469 0.777 -7.845 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.833 0.742 -8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.662 0.806 -6.762 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.103 2.274 -7.667 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.142 1.792 -9.989 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.347 3.362 -9.176 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.734 2.619 -9.282 1.00 0.00 H new ATOM 1538 N LEU A 98 -3.362 3.376 -4.384 1.00 0.00 N ATOM 1539 CA LEU A 98 -3.020 4.248 -3.268 1.00 0.00 C ATOM 1540 C LEU A 98 -1.508 4.427 -3.172 1.00 0.00 C ATOM 1541 O LEU A 98 -1.020 5.386 -2.573 1.00 0.00 O ATOM 1542 CB LEU A 98 -3.570 3.668 -1.962 1.00 0.00 C ATOM 1543 CG LEU A 98 -3.391 4.549 -0.725 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -4.598 4.425 0.192 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -2.119 4.171 0.021 1.00 0.00 C ATOM 0 H LEU A 98 -3.288 2.380 -4.177 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.471 5.225 -3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.633 3.467 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.085 2.709 -1.778 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.305 5.586 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.456 5.058 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.494 4.740 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.710 3.388 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.009 4.809 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.177 3.129 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.259 4.305 -0.635 1.00 0.00 H new ATOM 1557 N GLY A 99 -0.772 3.500 -3.779 1.00 0.00 N ATOM 1558 CA GLY A 99 0.677 3.563 -3.751 1.00 0.00 C ATOM 1559 C GLY A 99 1.301 3.199 -5.089 1.00 0.00 C ATOM 1560 O GLY A 99 1.575 2.026 -5.341 1.00 0.00 O ATOM 0 H GLY A 99 -1.155 2.705 -4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 99 0.988 4.569 -3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.052 2.887 -2.983 1.00 0.00 H new ATOM 1564 N PRO A 100 1.534 4.190 -5.973 1.00 0.00 N ATOM 1565 CA PRO A 100 2.137 3.949 -7.290 1.00 0.00 C ATOM 1566 C PRO A 100 3.425 3.135 -7.200 1.00 0.00 C ATOM 1567 O PRO A 100 3.359 1.901 -7.387 1.00 0.00 O ATOM 1568 CB PRO A 100 2.430 5.357 -7.808 1.00 0.00 C ATOM 1569 CG PRO A 100 1.438 6.229 -7.119 1.00 0.00 C ATOM 1570 CD PRO A 100 1.222 5.618 -5.762 1.00 0.00 C ATOM 1571 OXT PRO A 100 4.489 3.737 -6.941 1.00 0.00 O ATOM 0 HA PRO A 100 1.480 3.369 -7.938 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.451 5.659 -7.576 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.320 5.411 -8.891 1.00 0.00 H new ATOM 0 HG2 PRO A 100 1.809 7.250 -7.033 1.00 0.00 H new ATOM 0 HG3 PRO A 100 0.504 6.276 -7.679 1.00 0.00 H new ATOM 0 HD2 PRO A 100 1.875 6.065 -5.012 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.198 5.758 -5.417 1.00 0.00 H new TER 1579 PRO A 100 HETATM 1580 CA CA A 201 -16.284 -8.499 3.308 1.00 0.00 CA HETATM 1581 CA CA A 202 -11.669 -6.454 -7.473 1.00 0.00 CA