USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 709 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 64 SER OG : rot 179:sc= 2.25 USER MOD Set 1.2: A 67 SER OG : rot 61:sc= 1.31 USER MOD Set 2.1: A 13 GLN : amide:sc= 1.97 K(o=3.8,f=0.57) USER MOD Set 2.2: A 36 ASN : amide:sc= 1.78 K(o=3.8,f=-3.4) USER MOD Set 3.1: A 4 TYR OH : rot -175:sc= 1.22 USER MOD Set 3.2: A 54 GLN : amide:sc= 0.914 K(o=2.1,f=0.39) USER MOD Set 4.1: A 3 GLN : amide:sc= 1.6 K(o=2.2,f=-9!) USER MOD Set 4.2: A 77 SER OG : rot -130:sc= 0.573 USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0415 (180deg=-0.087) USER MOD Single : A 1 MET N :NH3+ -102:sc= 0.0368 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.857 K(o=0.86,f=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= 1.25 (180deg=1.11) USER MOD Single : A 29 LYS NZ :NH3+ -95:sc= 0.655 (180deg=-0.739!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0.702 K(o=0.7,f=-3.7!) USER MOD Single : A 55 SER OG : rot 76:sc= 1.24 USER MOD Single : A 61 LYS NZ :NH3+ -156:sc= 1.28 (180deg=1.17) USER MOD Single : A 62 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0609 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -70:sc= 0.765 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : +bothHN:sc= 1.36 K(o=1.4,f=-4.8!) USER MOD Single : A 84 HIS : no HE2:sc= 0.562 K(o=0.56,f=-1.7!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.135 -13.542 -0.542 1.00 0.00 N ATOM 2 CA MET A 1 -5.993 -13.826 0.363 1.00 0.00 C ATOM 3 C MET A 1 -6.510 -14.094 1.781 1.00 0.00 C ATOM 4 O MET A 1 -7.523 -13.529 2.197 1.00 0.00 O ATOM 5 CB MET A 1 -4.966 -12.675 0.335 1.00 0.00 C ATOM 6 CG MET A 1 -3.648 -12.987 1.049 1.00 0.00 C ATOM 7 SD MET A 1 -2.402 -11.696 0.795 1.00 0.00 S ATOM 8 CE MET A 1 -1.167 -12.277 1.977 1.00 0.00 C ATOM 0 H1 MET A 1 -7.344 -14.386 -1.112 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.971 -13.289 0.023 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.891 -12.751 -1.172 1.00 0.00 H new ATOM 0 HA MET A 1 -5.476 -14.720 0.014 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.752 -12.421 -0.703 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.414 -11.793 0.793 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.835 -13.103 2.117 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.259 -13.939 0.688 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.213 -11.791 1.775 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.490 -12.035 2.989 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.052 -13.357 1.882 1.00 0.00 H new ATOM 20 N LEU A 2 -5.824 -14.967 2.524 1.00 0.00 N ATOM 21 CA LEU A 2 -6.186 -15.408 3.870 1.00 0.00 C ATOM 22 C LEU A 2 -4.919 -15.482 4.725 1.00 0.00 C ATOM 23 O LEU A 2 -3.796 -15.354 4.222 1.00 0.00 O ATOM 24 CB LEU A 2 -6.860 -16.798 3.807 1.00 0.00 C ATOM 25 CG LEU A 2 -8.286 -16.835 3.228 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.761 -18.291 3.155 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.278 -16.034 4.080 1.00 0.00 C ATOM 0 H LEU A 2 -4.965 -15.403 2.188 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.887 -14.700 4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.230 -17.458 3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.889 -17.211 4.815 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.252 -16.383 2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.771 -18.324 2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.090 -18.861 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.761 -18.724 4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.270 -16.090 3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.311 -16.449 5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.959 -14.993 4.127 1.00 0.00 H new ATOM 39 N GLN A 3 -5.116 -15.733 6.018 1.00 0.00 N ATOM 40 CA GLN A 3 -4.070 -15.959 6.996 1.00 0.00 C ATOM 41 C GLN A 3 -4.501 -17.159 7.834 1.00 0.00 C ATOM 42 O GLN A 3 -5.652 -17.224 8.272 1.00 0.00 O ATOM 43 CB GLN A 3 -3.897 -14.681 7.828 1.00 0.00 C ATOM 44 CG GLN A 3 -2.922 -14.825 9.002 1.00 0.00 C ATOM 45 CD GLN A 3 -2.557 -13.461 9.590 1.00 0.00 C ATOM 46 OE1 GLN A 3 -1.809 -12.698 8.989 1.00 0.00 O ATOM 47 NE2 GLN A 3 -3.044 -13.129 10.774 1.00 0.00 N ATOM 0 H GLN A 3 -6.051 -15.785 6.423 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.103 -16.178 6.544 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.548 -13.880 7.176 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.870 -14.377 8.213 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.370 -15.449 9.775 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.018 -15.333 8.667 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.666 -13.769 11.268 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.798 -12.232 11.194 1.00 0.00 H new ATOM 56 N TYR A 4 -3.589 -18.104 8.048 1.00 0.00 N ATOM 57 CA TYR A 4 -3.790 -19.287 8.876 1.00 0.00 C ATOM 58 C TYR A 4 -2.834 -19.202 10.065 1.00 0.00 C ATOM 59 O TYR A 4 -1.771 -18.578 9.987 1.00 0.00 O ATOM 60 CB TYR A 4 -3.502 -20.589 8.093 1.00 0.00 C ATOM 61 CG TYR A 4 -4.559 -21.144 7.144 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.639 -20.374 6.663 1.00 0.00 C ATOM 63 CD2 TYR A 4 -4.448 -22.491 6.741 1.00 0.00 C ATOM 64 CE1 TYR A 4 -6.586 -20.936 5.789 1.00 0.00 C ATOM 65 CE2 TYR A 4 -5.394 -23.064 5.874 1.00 0.00 C ATOM 66 CZ TYR A 4 -6.471 -22.287 5.395 1.00 0.00 C ATOM 67 OH TYR A 4 -7.408 -22.828 4.570 1.00 0.00 O ATOM 0 H TYR A 4 -2.657 -18.064 7.634 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.830 -19.314 9.200 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.594 -20.427 7.512 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.278 -21.367 8.823 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.739 -19.343 6.969 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.625 -23.090 7.103 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.402 -20.334 5.419 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.297 -24.097 5.575 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.226 -23.783 4.450 1.00 0.00 H new ATOM 77 N ARG A 5 -3.173 -19.928 11.126 1.00 0.00 N ATOM 78 CA ARG A 5 -2.244 -20.376 12.154 1.00 0.00 C ATOM 79 C ARG A 5 -2.337 -21.895 12.149 1.00 0.00 C ATOM 80 O ARG A 5 -3.421 -22.426 11.912 1.00 0.00 O ATOM 81 CB ARG A 5 -2.622 -19.789 13.523 1.00 0.00 C ATOM 82 CG ARG A 5 -1.534 -20.066 14.575 1.00 0.00 C ATOM 83 CD ARG A 5 -1.958 -19.762 16.009 1.00 0.00 C ATOM 84 NE ARG A 5 -3.095 -20.581 16.461 1.00 0.00 N ATOM 85 CZ ARG A 5 -3.330 -20.963 17.721 1.00 0.00 C ATOM 86 NH1 ARG A 5 -2.441 -20.758 18.695 1.00 0.00 N ATOM 87 NH2 ARG A 5 -4.487 -21.560 17.980 1.00 0.00 N ATOM 0 H ARG A 5 -4.132 -20.229 11.298 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.225 -20.043 11.958 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.774 -18.714 13.430 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.568 -20.217 13.855 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.239 -21.113 14.509 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.653 -19.471 14.335 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.111 -19.928 16.675 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.223 -18.708 16.087 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.762 -20.884 15.751 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.554 -20.299 18.488 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.648 -21.061 19.647 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.161 -21.713 17.230 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -4.702 -21.866 18.929 1.00 0.00 H new ATOM 101 N ILE A 6 -1.238 -22.602 12.384 1.00 0.00 N ATOM 102 CA ILE A 6 -1.211 -24.059 12.429 1.00 0.00 C ATOM 103 C ILE A 6 -0.440 -24.426 13.698 1.00 0.00 C ATOM 104 O ILE A 6 0.499 -23.723 14.081 1.00 0.00 O ATOM 105 CB ILE A 6 -0.600 -24.641 11.127 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.265 -24.071 9.846 1.00 0.00 C ATOM 107 CG2 ILE A 6 -0.692 -26.179 11.121 1.00 0.00 C ATOM 108 CD1 ILE A 6 -0.489 -24.351 8.555 1.00 0.00 C ATOM 0 H ILE A 6 -0.328 -22.173 12.551 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.209 -24.495 12.475 1.00 0.00 H new ATOM 0 HB ILE A 6 0.447 -24.337 11.115 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.266 -24.491 9.753 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.381 -22.993 9.960 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.258 -26.566 10.199 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.146 -26.579 11.975 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.737 -26.481 11.184 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.023 -23.919 7.709 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.504 -23.906 8.623 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.395 -25.428 8.413 1.00 0.00 H new ATOM 120 N ILE A 7 -0.840 -25.513 14.353 1.00 0.00 N ATOM 121 CA ILE A 7 -0.289 -26.001 15.611 1.00 0.00 C ATOM 122 C ILE A 7 -0.066 -27.500 15.403 1.00 0.00 C ATOM 123 O ILE A 7 -0.927 -28.155 14.813 1.00 0.00 O ATOM 124 CB ILE A 7 -1.281 -25.707 16.766 1.00 0.00 C ATOM 125 CG1 ILE A 7 -1.620 -24.203 16.934 1.00 0.00 C ATOM 126 CG2 ILE A 7 -0.772 -26.283 18.101 1.00 0.00 C ATOM 127 CD1 ILE A 7 -0.447 -23.345 17.402 1.00 0.00 C ATOM 0 H ILE A 7 -1.593 -26.105 14.003 1.00 0.00 H new ATOM 0 HA ILE A 7 0.646 -25.512 15.884 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.207 -26.208 16.483 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.982 -23.815 15.982 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.436 -24.104 17.650 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.490 -26.060 18.891 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.656 -27.363 18.011 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.190 -25.834 18.348 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.769 -22.308 17.494 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.097 -23.704 18.370 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.364 -23.410 16.677 1.00 0.00 H new ATOM 139 N VAL A 8 1.071 -28.042 15.849 1.00 0.00 N ATOM 140 CA VAL A 8 1.455 -29.427 15.559 1.00 0.00 C ATOM 141 C VAL A 8 2.069 -30.059 16.810 1.00 0.00 C ATOM 142 O VAL A 8 2.755 -29.368 17.565 1.00 0.00 O ATOM 143 CB VAL A 8 2.452 -29.486 14.373 1.00 0.00 C ATOM 144 CG1 VAL A 8 2.381 -30.857 13.687 1.00 0.00 C ATOM 145 CG2 VAL A 8 2.248 -28.410 13.291 1.00 0.00 C ATOM 0 H VAL A 8 1.749 -27.536 16.419 1.00 0.00 H new ATOM 0 HA VAL A 8 0.565 -29.988 15.274 1.00 0.00 H new ATOM 0 HB VAL A 8 3.425 -29.301 14.829 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.086 -30.885 12.856 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.635 -31.637 14.405 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.371 -31.024 13.312 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.994 -28.537 12.507 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.251 -28.509 12.863 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.355 -27.421 13.737 1.00 0.00 H new ATOM 155 N ASP A 9 1.879 -31.367 17.005 1.00 0.00 N ATOM 156 CA ASP A 9 2.485 -32.155 18.077 1.00 0.00 C ATOM 157 C ASP A 9 2.877 -33.537 17.546 1.00 0.00 C ATOM 158 O ASP A 9 2.299 -34.015 16.565 1.00 0.00 O ATOM 159 CB ASP A 9 1.499 -32.308 19.243 1.00 0.00 C ATOM 160 CG ASP A 9 2.121 -33.049 20.441 1.00 0.00 C ATOM 161 OD1 ASP A 9 3.321 -32.846 20.733 1.00 0.00 O ATOM 162 OD2 ASP A 9 1.399 -33.819 21.113 1.00 0.00 O ATOM 0 H ASP A 9 1.277 -31.924 16.398 1.00 0.00 H new ATOM 0 HA ASP A 9 3.377 -31.639 18.433 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.163 -31.322 19.563 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.617 -32.850 18.901 1.00 0.00 H new ATOM 167 N GLY A 10 3.864 -34.173 18.179 1.00 0.00 N ATOM 168 CA GLY A 10 4.424 -35.461 17.794 1.00 0.00 C ATOM 169 C GLY A 10 5.924 -35.477 18.071 1.00 0.00 C ATOM 170 O GLY A 10 6.416 -34.710 18.904 1.00 0.00 O ATOM 0 H GLY A 10 4.311 -33.784 19.009 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.934 -36.261 18.349 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.238 -35.647 16.736 1.00 0.00 H new ATOM 174 N ARG A 11 6.671 -36.312 17.345 1.00 0.00 N ATOM 175 CA ARG A 11 8.116 -36.149 17.213 1.00 0.00 C ATOM 176 C ARG A 11 8.331 -35.004 16.222 1.00 0.00 C ATOM 177 O ARG A 11 8.561 -35.238 15.035 1.00 0.00 O ATOM 178 CB ARG A 11 8.780 -37.470 16.777 1.00 0.00 C ATOM 179 CG ARG A 11 10.316 -37.364 16.835 1.00 0.00 C ATOM 180 CD ARG A 11 11.025 -38.641 16.368 1.00 0.00 C ATOM 181 NE ARG A 11 10.805 -38.913 14.934 1.00 0.00 N ATOM 182 CZ ARG A 11 10.172 -39.966 14.399 1.00 0.00 C ATOM 183 NH1 ARG A 11 9.610 -40.902 15.160 1.00 0.00 N ATOM 184 NH2 ARG A 11 10.111 -40.060 13.078 1.00 0.00 N ATOM 0 H ARG A 11 6.293 -37.112 16.837 1.00 0.00 H new ATOM 0 HA ARG A 11 8.589 -35.900 18.163 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.444 -38.280 17.424 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.468 -37.720 15.763 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.640 -36.528 16.215 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.620 -37.140 17.857 1.00 0.00 H new ATOM 0 HD2 ARG A 11 12.094 -38.550 16.558 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.668 -39.487 16.955 1.00 0.00 H new ATOM 0 HE ARG A 11 11.175 -38.224 14.279 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.655 -40.828 16.176 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.134 -41.693 14.727 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.540 -39.341 12.495 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.635 -40.851 12.644 1.00 0.00 H new ATOM 198 N VAL A 12 8.195 -33.768 16.700 1.00 0.00 N ATOM 199 CA VAL A 12 8.177 -32.566 15.867 1.00 0.00 C ATOM 200 C VAL A 12 9.213 -31.541 16.355 1.00 0.00 C ATOM 201 O VAL A 12 9.101 -30.357 16.046 1.00 0.00 O ATOM 202 CB VAL A 12 6.739 -32.001 15.773 1.00 0.00 C ATOM 203 CG1 VAL A 12 5.779 -33.005 15.119 1.00 0.00 C ATOM 204 CG2 VAL A 12 6.159 -31.569 17.130 1.00 0.00 C ATOM 0 H VAL A 12 8.092 -33.570 17.695 1.00 0.00 H new ATOM 0 HA VAL A 12 8.475 -32.824 14.851 1.00 0.00 H new ATOM 0 HB VAL A 12 6.828 -31.111 15.149 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.779 -32.574 15.070 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.124 -33.235 14.111 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.751 -33.920 15.711 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.149 -31.183 16.988 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.129 -32.426 17.802 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.787 -30.790 17.563 1.00 0.00 H new ATOM 214 N GLN A 13 10.212 -31.980 17.129 1.00 0.00 N ATOM 215 CA GLN A 13 11.311 -31.146 17.602 1.00 0.00 C ATOM 216 C GLN A 13 12.607 -31.935 17.453 1.00 0.00 C ATOM 217 O GLN A 13 12.606 -33.154 17.657 1.00 0.00 O ATOM 218 CB GLN A 13 11.124 -30.754 19.078 1.00 0.00 C ATOM 219 CG GLN A 13 9.721 -30.238 19.426 1.00 0.00 C ATOM 220 CD GLN A 13 9.719 -29.402 20.706 1.00 0.00 C ATOM 221 OE1 GLN A 13 10.180 -29.833 21.760 1.00 0.00 O ATOM 222 NE2 GLN A 13 9.211 -28.185 20.631 1.00 0.00 N ATOM 0 H GLN A 13 10.276 -32.947 17.448 1.00 0.00 H new ATOM 0 HA GLN A 13 11.338 -30.230 17.012 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.344 -31.620 19.702 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.854 -29.985 19.332 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.341 -29.637 18.600 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.043 -31.083 19.544 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.833 -27.844 19.747 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.197 -27.586 21.457 1.00 0.00 H new ATOM 231 N GLY A 14 13.709 -31.255 17.152 1.00 0.00 N ATOM 232 CA GLY A 14 14.990 -31.889 16.898 1.00 0.00 C ATOM 233 C GLY A 14 14.940 -32.753 15.637 1.00 0.00 C ATOM 234 O GLY A 14 15.601 -33.793 15.590 1.00 0.00 O ATOM 0 H GLY A 14 13.734 -30.238 17.078 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.761 -31.126 16.789 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.270 -32.505 17.753 1.00 0.00 H new ATOM 238 N VAL A 15 14.149 -32.356 14.638 1.00 0.00 N ATOM 239 CA VAL A 15 13.918 -33.110 13.405 1.00 0.00 C ATOM 240 C VAL A 15 14.030 -32.215 12.162 1.00 0.00 C ATOM 241 O VAL A 15 13.956 -32.723 11.040 1.00 0.00 O ATOM 242 CB VAL A 15 12.573 -33.873 13.465 1.00 0.00 C ATOM 243 CG1 VAL A 15 12.602 -35.028 14.476 1.00 0.00 C ATOM 244 CG2 VAL A 15 11.380 -32.962 13.784 1.00 0.00 C ATOM 0 H VAL A 15 13.636 -31.475 14.666 1.00 0.00 H new ATOM 0 HA VAL A 15 14.707 -33.857 13.316 1.00 0.00 H new ATOM 0 HB VAL A 15 12.439 -34.278 12.462 1.00 0.00 H new ATOM 0 HG11 VAL A 15 11.635 -35.532 14.481 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.380 -35.738 14.195 1.00 0.00 H new ATOM 0 HG13 VAL A 15 12.811 -34.635 15.471 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.466 -33.556 13.812 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.534 -32.487 14.753 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.291 -32.196 13.014 1.00 0.00 H new ATOM 254 N GLY A 16 14.245 -30.909 12.331 1.00 0.00 N ATOM 255 CA GLY A 16 14.359 -29.947 11.254 1.00 0.00 C ATOM 256 C GLY A 16 12.995 -29.347 10.930 1.00 0.00 C ATOM 257 O GLY A 16 12.804 -28.896 9.799 1.00 0.00 O ATOM 0 H GLY A 16 14.347 -30.487 13.254 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.053 -29.156 11.537 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.770 -30.431 10.368 1.00 0.00 H new ATOM 261 N PHE A 17 12.031 -29.385 11.856 1.00 0.00 N ATOM 262 CA PHE A 17 10.655 -29.007 11.567 1.00 0.00 C ATOM 263 C PHE A 17 10.590 -27.533 11.163 1.00 0.00 C ATOM 264 O PHE A 17 9.954 -27.205 10.162 1.00 0.00 O ATOM 265 CB PHE A 17 9.726 -29.323 12.752 1.00 0.00 C ATOM 266 CG PHE A 17 8.294 -29.621 12.338 1.00 0.00 C ATOM 267 CD1 PHE A 17 7.454 -28.595 11.868 1.00 0.00 C ATOM 268 CD2 PHE A 17 7.797 -30.936 12.410 1.00 0.00 C ATOM 269 CE1 PHE A 17 6.139 -28.883 11.459 1.00 0.00 C ATOM 270 CE2 PHE A 17 6.485 -31.226 11.999 1.00 0.00 C ATOM 271 CZ PHE A 17 5.656 -30.202 11.514 1.00 0.00 C ATOM 0 H PHE A 17 12.187 -29.678 12.820 1.00 0.00 H new ATOM 0 HA PHE A 17 10.298 -29.602 10.726 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.124 -30.179 13.297 1.00 0.00 H new ATOM 0 HB3 PHE A 17 9.728 -28.478 13.440 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.821 -27.580 11.821 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.429 -31.728 12.784 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.499 -28.089 11.102 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.114 -32.239 12.056 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.652 -30.427 11.185 1.00 0.00 H new ATOM 281 N ARG A 18 11.286 -26.638 11.876 1.00 0.00 N ATOM 282 CA ARG A 18 11.333 -25.214 11.523 1.00 0.00 C ATOM 283 C ARG A 18 11.810 -24.999 10.085 1.00 0.00 C ATOM 284 O ARG A 18 11.158 -24.279 9.327 1.00 0.00 O ATOM 285 CB ARG A 18 12.230 -24.477 12.530 1.00 0.00 C ATOM 286 CG ARG A 18 11.460 -24.132 13.814 1.00 0.00 C ATOM 287 CD ARG A 18 12.385 -23.713 14.963 1.00 0.00 C ATOM 288 NE ARG A 18 12.968 -24.871 15.658 1.00 0.00 N ATOM 289 CZ ARG A 18 13.651 -24.828 16.805 1.00 0.00 C ATOM 290 NH1 ARG A 18 13.933 -23.660 17.383 1.00 0.00 N ATOM 291 NH2 ARG A 18 14.037 -25.952 17.386 1.00 0.00 N ATOM 0 H ARG A 18 11.828 -26.878 12.706 1.00 0.00 H new ATOM 0 HA ARG A 18 10.324 -24.805 11.574 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.091 -25.098 12.776 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.615 -23.563 12.077 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.757 -23.325 13.606 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.871 -24.996 14.123 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.186 -23.085 14.572 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.825 -23.108 15.676 1.00 0.00 H new ATOM 0 HE ARG A 18 12.840 -25.786 15.227 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.627 -22.789 16.949 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.455 -23.637 18.259 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.813 -26.850 16.958 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.559 -25.920 18.262 1.00 0.00 H new ATOM 305 N TYR A 19 12.919 -25.626 9.689 1.00 0.00 N ATOM 306 CA TYR A 19 13.463 -25.473 8.348 1.00 0.00 C ATOM 307 C TYR A 19 12.540 -26.097 7.305 1.00 0.00 C ATOM 308 O TYR A 19 12.321 -25.486 6.261 1.00 0.00 O ATOM 309 CB TYR A 19 14.861 -26.093 8.294 1.00 0.00 C ATOM 310 CG TYR A 19 15.909 -25.255 9.003 1.00 0.00 C ATOM 311 CD1 TYR A 19 16.417 -24.098 8.382 1.00 0.00 C ATOM 312 CD2 TYR A 19 16.355 -25.609 10.293 1.00 0.00 C ATOM 313 CE1 TYR A 19 17.363 -23.293 9.041 1.00 0.00 C ATOM 314 CE2 TYR A 19 17.301 -24.808 10.959 1.00 0.00 C ATOM 315 CZ TYR A 19 17.808 -23.645 10.337 1.00 0.00 C ATOM 316 OH TYR A 19 18.723 -22.875 10.994 1.00 0.00 O ATOM 0 H TYR A 19 13.459 -26.250 10.289 1.00 0.00 H new ATOM 0 HA TYR A 19 13.538 -24.411 8.114 1.00 0.00 H new ATOM 0 HB2 TYR A 19 14.830 -27.085 8.745 1.00 0.00 H new ATOM 0 HB3 TYR A 19 15.154 -26.226 7.252 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.078 -23.827 7.393 1.00 0.00 H new ATOM 0 HD2 TYR A 19 15.969 -26.497 10.771 1.00 0.00 H new ATOM 0 HE1 TYR A 19 17.749 -22.407 8.559 1.00 0.00 H new ATOM 0 HE2 TYR A 19 17.640 -25.083 11.947 1.00 0.00 H new ATOM 0 HH TYR A 19 18.911 -23.268 11.872 1.00 0.00 H new ATOM 326 N PHE A 20 11.962 -27.267 7.586 1.00 0.00 N ATOM 327 CA PHE A 20 10.992 -27.898 6.702 1.00 0.00 C ATOM 328 C PHE A 20 9.829 -26.943 6.433 1.00 0.00 C ATOM 329 O PHE A 20 9.515 -26.685 5.274 1.00 0.00 O ATOM 330 CB PHE A 20 10.512 -29.226 7.309 1.00 0.00 C ATOM 331 CG PHE A 20 9.324 -29.842 6.595 1.00 0.00 C ATOM 332 CD1 PHE A 20 9.513 -30.569 5.404 1.00 0.00 C ATOM 333 CD2 PHE A 20 8.022 -29.668 7.108 1.00 0.00 C ATOM 334 CE1 PHE A 20 8.408 -31.132 4.739 1.00 0.00 C ATOM 335 CE2 PHE A 20 6.919 -30.220 6.434 1.00 0.00 C ATOM 336 CZ PHE A 20 7.111 -30.960 5.255 1.00 0.00 C ATOM 0 H PHE A 20 12.156 -27.800 8.434 1.00 0.00 H new ATOM 0 HA PHE A 20 11.463 -28.123 5.745 1.00 0.00 H new ATOM 0 HB2 PHE A 20 11.338 -29.937 7.297 1.00 0.00 H new ATOM 0 HB3 PHE A 20 10.248 -29.061 8.354 1.00 0.00 H new ATOM 0 HD1 PHE A 20 10.507 -30.695 5.001 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.872 -29.110 8.020 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.556 -31.697 3.831 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.922 -30.075 6.823 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.264 -31.396 4.746 1.00 0.00 H new ATOM 346 N VAL A 21 9.233 -26.359 7.476 1.00 0.00 N ATOM 347 CA VAL A 21 8.133 -25.415 7.328 1.00 0.00 C ATOM 348 C VAL A 21 8.586 -24.206 6.503 1.00 0.00 C ATOM 349 O VAL A 21 7.861 -23.791 5.597 1.00 0.00 O ATOM 350 CB VAL A 21 7.594 -25.035 8.722 1.00 0.00 C ATOM 351 CG1 VAL A 21 6.548 -23.919 8.672 1.00 0.00 C ATOM 352 CG2 VAL A 21 6.910 -26.241 9.380 1.00 0.00 C ATOM 0 H VAL A 21 9.503 -26.530 8.445 1.00 0.00 H new ATOM 0 HA VAL A 21 7.309 -25.871 6.779 1.00 0.00 H new ATOM 0 HB VAL A 21 8.462 -24.697 9.288 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.206 -23.695 9.683 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.990 -23.025 8.232 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.701 -24.241 8.065 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.535 -25.955 10.363 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.079 -26.572 8.757 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.629 -27.053 9.488 1.00 0.00 H new ATOM 362 N GLN A 22 9.786 -23.669 6.756 1.00 0.00 N ATOM 363 CA GLN A 22 10.294 -22.533 5.997 1.00 0.00 C ATOM 364 C GLN A 22 10.382 -22.883 4.505 1.00 0.00 C ATOM 365 O GLN A 22 9.956 -22.091 3.667 1.00 0.00 O ATOM 366 CB GLN A 22 11.647 -22.077 6.574 1.00 0.00 C ATOM 367 CG GLN A 22 12.107 -20.759 5.933 1.00 0.00 C ATOM 368 CD GLN A 22 13.447 -20.242 6.456 1.00 0.00 C ATOM 369 OE1 GLN A 22 14.441 -20.960 6.494 1.00 0.00 O ATOM 370 NE2 GLN A 22 13.513 -18.973 6.836 1.00 0.00 N ATOM 0 H GLN A 22 10.419 -24.007 7.481 1.00 0.00 H new ATOM 0 HA GLN A 22 9.602 -21.695 6.087 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.561 -21.949 7.653 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.397 -22.849 6.403 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.180 -20.899 4.854 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.345 -19.999 6.105 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.680 -18.386 6.800 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.397 -18.584 7.164 1.00 0.00 H new ATOM 379 N MET A 23 10.893 -24.066 4.157 1.00 0.00 N ATOM 380 CA MET A 23 11.048 -24.471 2.762 1.00 0.00 C ATOM 381 C MET A 23 9.691 -24.778 2.121 1.00 0.00 C ATOM 382 O MET A 23 9.477 -24.450 0.953 1.00 0.00 O ATOM 383 CB MET A 23 11.963 -25.703 2.674 1.00 0.00 C ATOM 384 CG MET A 23 13.403 -25.389 3.094 1.00 0.00 C ATOM 385 SD MET A 23 14.470 -26.852 3.202 1.00 0.00 S ATOM 386 CE MET A 23 15.940 -26.088 3.938 1.00 0.00 C ATOM 0 H MET A 23 11.208 -24.764 4.830 1.00 0.00 H new ATOM 0 HA MET A 23 11.501 -23.644 2.215 1.00 0.00 H new ATOM 0 HB2 MET A 23 11.566 -26.494 3.310 1.00 0.00 H new ATOM 0 HB3 MET A 23 11.960 -26.083 1.652 1.00 0.00 H new ATOM 0 HG2 MET A 23 13.835 -24.688 2.380 1.00 0.00 H new ATOM 0 HG3 MET A 23 13.388 -24.889 4.063 1.00 0.00 H new ATOM 0 HE1 MET A 23 16.711 -26.845 4.080 1.00 0.00 H new ATOM 0 HE2 MET A 23 16.315 -25.308 3.276 1.00 0.00 H new ATOM 0 HE3 MET A 23 15.679 -25.651 4.902 1.00 0.00 H new ATOM 396 N GLU A 24 8.752 -25.372 2.864 1.00 0.00 N ATOM 397 CA GLU A 24 7.419 -25.665 2.360 1.00 0.00 C ATOM 398 C GLU A 24 6.601 -24.389 2.154 1.00 0.00 C ATOM 399 O GLU A 24 5.723 -24.365 1.293 1.00 0.00 O ATOM 400 CB GLU A 24 6.690 -26.638 3.297 1.00 0.00 C ATOM 401 CG GLU A 24 7.223 -28.077 3.222 1.00 0.00 C ATOM 402 CD GLU A 24 7.223 -28.668 1.800 1.00 0.00 C ATOM 403 OE1 GLU A 24 6.235 -28.479 1.056 1.00 0.00 O ATOM 404 OE2 GLU A 24 8.219 -29.316 1.406 1.00 0.00 O ATOM 0 H GLU A 24 8.901 -25.661 3.831 1.00 0.00 H new ATOM 0 HA GLU A 24 7.530 -26.141 1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.780 -26.279 4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.628 -26.639 3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.240 -28.098 3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.618 -28.712 3.869 1.00 0.00 H new ATOM 411 N ALA A 25 6.899 -23.314 2.889 1.00 0.00 N ATOM 412 CA ALA A 25 6.386 -21.999 2.551 1.00 0.00 C ATOM 413 C ALA A 25 7.081 -21.483 1.290 1.00 0.00 C ATOM 414 O ALA A 25 6.427 -20.964 0.383 1.00 0.00 O ATOM 415 CB ALA A 25 6.611 -21.038 3.719 1.00 0.00 C ATOM 0 H ALA A 25 7.492 -23.336 3.719 1.00 0.00 H new ATOM 0 HA ALA A 25 5.315 -22.066 2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.224 -20.053 3.459 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.092 -21.411 4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.678 -20.965 3.929 1.00 0.00 H new ATOM 421 N ASP A 26 8.407 -21.625 1.222 1.00 0.00 N ATOM 422 CA ASP A 26 9.227 -20.965 0.216 1.00 0.00 C ATOM 423 C ASP A 26 8.939 -21.477 -1.189 1.00 0.00 C ATOM 424 O ASP A 26 8.922 -20.677 -2.124 1.00 0.00 O ATOM 425 CB ASP A 26 10.723 -21.123 0.505 1.00 0.00 C ATOM 426 CG ASP A 26 11.503 -20.175 -0.410 1.00 0.00 C ATOM 427 OD1 ASP A 26 11.373 -18.938 -0.257 1.00 0.00 O ATOM 428 OD2 ASP A 26 12.230 -20.637 -1.316 1.00 0.00 O ATOM 0 H ASP A 26 8.940 -22.206 1.869 1.00 0.00 H new ATOM 0 HA ASP A 26 8.962 -19.909 0.267 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.932 -20.896 1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.034 -22.154 0.334 1.00 0.00 H new ATOM 433 N LYS A 27 8.641 -22.774 -1.364 1.00 0.00 N ATOM 434 CA LYS A 27 8.373 -23.301 -2.711 1.00 0.00 C ATOM 435 C LYS A 27 7.109 -22.702 -3.350 1.00 0.00 C ATOM 436 O LYS A 27 6.949 -22.776 -4.568 1.00 0.00 O ATOM 437 CB LYS A 27 8.458 -24.844 -2.779 1.00 0.00 C ATOM 438 CG LYS A 27 7.147 -25.653 -2.779 1.00 0.00 C ATOM 439 CD LYS A 27 6.365 -25.548 -1.467 1.00 0.00 C ATOM 440 CE LYS A 27 5.055 -26.351 -1.487 1.00 0.00 C ATOM 441 NZ LYS A 27 5.269 -27.818 -1.426 1.00 0.00 N ATOM 0 H LYS A 27 8.580 -23.461 -0.612 1.00 0.00 H new ATOM 0 HA LYS A 27 9.188 -22.953 -3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.009 -25.106 -3.682 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.055 -25.181 -1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.516 -25.307 -3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.376 -26.701 -2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.990 -25.903 -0.648 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.140 -24.500 -1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.436 -26.045 -0.644 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.501 -26.108 -2.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.408 -28.308 -1.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.064 -28.079 -2.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.485 -28.097 -0.448 1.00 0.00 H new ATOM 455 N ARG A 28 6.230 -22.082 -2.550 1.00 0.00 N ATOM 456 CA ARG A 28 5.041 -21.356 -2.995 1.00 0.00 C ATOM 457 C ARG A 28 5.176 -19.851 -2.716 1.00 0.00 C ATOM 458 O ARG A 28 4.219 -19.109 -2.930 1.00 0.00 O ATOM 459 CB ARG A 28 3.812 -21.961 -2.289 1.00 0.00 C ATOM 460 CG ARG A 28 3.284 -23.218 -2.999 1.00 0.00 C ATOM 461 CD ARG A 28 2.084 -23.776 -2.220 1.00 0.00 C ATOM 462 NE ARG A 28 1.278 -24.742 -2.990 1.00 0.00 N ATOM 463 CZ ARG A 28 0.252 -24.436 -3.801 1.00 0.00 C ATOM 464 NH1 ARG A 28 0.084 -23.197 -4.260 1.00 0.00 N ATOM 465 NH2 ARG A 28 -0.634 -25.365 -4.126 1.00 0.00 N ATOM 0 H ARG A 28 6.336 -22.075 -1.536 1.00 0.00 H new ATOM 0 HA ARG A 28 4.923 -21.459 -4.074 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.074 -22.212 -1.261 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.020 -21.214 -2.243 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.988 -22.976 -4.020 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.071 -23.970 -3.065 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.444 -24.259 -1.311 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.446 -22.948 -1.910 1.00 0.00 H new ATOM 0 HE ARG A 28 1.521 -25.728 -2.899 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.740 -22.462 -3.996 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.701 -22.983 -4.875 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.537 -26.312 -3.760 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.413 -25.133 -4.742 1.00 0.00 H new ATOM 479 N LYS A 29 6.343 -19.394 -2.241 1.00 0.00 N ATOM 480 CA LYS A 29 6.598 -18.048 -1.720 1.00 0.00 C ATOM 481 C LYS A 29 5.454 -17.558 -0.820 1.00 0.00 C ATOM 482 O LYS A 29 5.044 -16.398 -0.894 1.00 0.00 O ATOM 483 CB LYS A 29 6.982 -17.084 -2.865 1.00 0.00 C ATOM 484 CG LYS A 29 8.197 -17.538 -3.701 1.00 0.00 C ATOM 485 CD LYS A 29 9.521 -17.553 -2.916 1.00 0.00 C ATOM 486 CE LYS A 29 10.623 -18.215 -3.756 1.00 0.00 C ATOM 487 NZ LYS A 29 11.915 -18.294 -3.031 1.00 0.00 N ATOM 0 H LYS A 29 7.174 -19.984 -2.209 1.00 0.00 H new ATOM 0 HA LYS A 29 7.465 -18.080 -1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.124 -16.966 -3.527 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.194 -16.102 -2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.005 -18.538 -4.090 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.303 -16.876 -4.560 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.812 -16.535 -2.658 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.392 -18.095 -1.979 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.307 -19.219 -4.040 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.761 -17.651 -4.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.506 -17.477 -3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.739 -18.288 -2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.407 -19.172 -3.293 1.00 0.00 H new ATOM 501 N LEU A 30 4.938 -18.450 0.037 1.00 0.00 N ATOM 502 CA LEU A 30 4.127 -18.056 1.183 1.00 0.00 C ATOM 503 C LEU A 30 4.997 -17.204 2.111 1.00 0.00 C ATOM 504 O LEU A 30 6.230 -17.274 2.064 1.00 0.00 O ATOM 505 CB LEU A 30 3.612 -19.303 1.927 1.00 0.00 C ATOM 506 CG LEU A 30 2.431 -20.021 1.248 1.00 0.00 C ATOM 507 CD1 LEU A 30 2.175 -21.367 1.929 1.00 0.00 C ATOM 508 CD2 LEU A 30 1.153 -19.182 1.321 1.00 0.00 C ATOM 0 H LEU A 30 5.073 -19.457 -0.049 1.00 0.00 H new ATOM 0 HA LEU A 30 3.261 -17.483 0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.435 -20.010 2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.310 -19.010 2.933 1.00 0.00 H new ATOM 0 HG LEU A 30 2.695 -20.172 0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.338 -21.868 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.066 -21.990 1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.938 -21.204 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.338 -19.717 0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.895 -19.002 2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.314 -18.229 0.818 1.00 0.00 H new ATOM 520 N ALA A 31 4.357 -16.439 2.994 1.00 0.00 N ATOM 521 CA ALA A 31 5.022 -15.573 3.956 1.00 0.00 C ATOM 522 C ALA A 31 4.406 -15.814 5.331 1.00 0.00 C ATOM 523 O ALA A 31 3.263 -16.267 5.411 1.00 0.00 O ATOM 524 CB ALA A 31 4.861 -14.120 3.508 1.00 0.00 C ATOM 0 H ALA A 31 3.340 -16.406 3.059 1.00 0.00 H new ATOM 0 HA ALA A 31 6.088 -15.791 4.014 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.356 -13.462 4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.311 -13.991 2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.801 -13.870 3.458 1.00 0.00 H new ATOM 530 N GLY A 32 5.155 -15.562 6.405 1.00 0.00 N ATOM 531 CA GLY A 32 4.735 -15.943 7.746 1.00 0.00 C ATOM 532 C GLY A 32 5.925 -16.179 8.667 1.00 0.00 C ATOM 533 O GLY A 32 7.039 -15.720 8.390 1.00 0.00 O ATOM 0 H GLY A 32 6.060 -15.093 6.367 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.101 -15.161 8.164 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.131 -16.849 7.694 1.00 0.00 H new ATOM 537 N TRP A 33 5.706 -16.921 9.752 1.00 0.00 N ATOM 538 CA TRP A 33 6.779 -17.406 10.602 1.00 0.00 C ATOM 539 C TRP A 33 6.461 -18.776 11.204 1.00 0.00 C ATOM 540 O TRP A 33 5.316 -19.234 11.173 1.00 0.00 O ATOM 541 CB TRP A 33 7.159 -16.359 11.670 1.00 0.00 C ATOM 542 CG TRP A 33 6.126 -15.860 12.646 1.00 0.00 C ATOM 543 CD1 TRP A 33 5.012 -16.504 13.072 1.00 0.00 C ATOM 544 CD2 TRP A 33 6.136 -14.593 13.377 1.00 0.00 C ATOM 545 NE1 TRP A 33 4.332 -15.726 13.985 1.00 0.00 N ATOM 546 CE2 TRP A 33 4.981 -14.532 14.215 1.00 0.00 C ATOM 547 CE3 TRP A 33 7.015 -13.489 13.428 1.00 0.00 C ATOM 548 CZ2 TRP A 33 4.707 -13.434 15.045 1.00 0.00 C ATOM 549 CZ3 TRP A 33 6.753 -12.381 14.258 1.00 0.00 C ATOM 550 CH2 TRP A 33 5.601 -12.350 15.064 1.00 0.00 C ATOM 0 H TRP A 33 4.775 -17.200 10.062 1.00 0.00 H new ATOM 0 HA TRP A 33 7.658 -17.553 9.974 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.979 -16.777 12.254 1.00 0.00 H new ATOM 0 HB3 TRP A 33 7.553 -15.489 11.144 1.00 0.00 H new ATOM 0 HD1 TRP A 33 4.702 -17.485 12.744 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.458 -16.000 14.434 1.00 0.00 H new ATOM 0 HE3 TRP A 33 7.906 -13.494 12.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 3.820 -13.422 15.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 7.442 -11.549 14.275 1.00 0.00 H new ATOM 0 HH2 TRP A 33 5.404 -11.496 15.695 1.00 0.00 H new ATOM 561 N VAL A 34 7.475 -19.409 11.793 1.00 0.00 N ATOM 562 CA VAL A 34 7.359 -20.656 12.539 1.00 0.00 C ATOM 563 C VAL A 34 8.210 -20.537 13.799 1.00 0.00 C ATOM 564 O VAL A 34 9.294 -19.948 13.766 1.00 0.00 O ATOM 565 CB VAL A 34 7.761 -21.855 11.649 1.00 0.00 C ATOM 566 CG1 VAL A 34 9.171 -21.748 11.037 1.00 0.00 C ATOM 567 CG2 VAL A 34 7.650 -23.196 12.389 1.00 0.00 C ATOM 0 H VAL A 34 8.431 -19.054 11.761 1.00 0.00 H new ATOM 0 HA VAL A 34 6.327 -20.838 12.839 1.00 0.00 H new ATOM 0 HB VAL A 34 7.040 -21.820 10.832 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.371 -22.630 10.428 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.230 -20.856 10.414 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.910 -21.683 11.835 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.943 -24.006 11.721 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.307 -23.187 13.259 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.621 -23.348 12.714 1.00 0.00 H new ATOM 577 N LYS A 35 7.743 -21.138 14.892 1.00 0.00 N ATOM 578 CA LYS A 35 8.495 -21.306 16.127 1.00 0.00 C ATOM 579 C LYS A 35 8.225 -22.708 16.660 1.00 0.00 C ATOM 580 O LYS A 35 7.196 -23.312 16.341 1.00 0.00 O ATOM 581 CB LYS A 35 8.139 -20.196 17.136 1.00 0.00 C ATOM 582 CG LYS A 35 6.662 -20.202 17.569 1.00 0.00 C ATOM 583 CD LYS A 35 6.367 -19.072 18.563 1.00 0.00 C ATOM 584 CE LYS A 35 4.881 -19.119 18.935 1.00 0.00 C ATOM 585 NZ LYS A 35 4.498 -18.097 19.940 1.00 0.00 N ATOM 0 H LYS A 35 6.803 -21.532 14.941 1.00 0.00 H new ATOM 0 HA LYS A 35 9.566 -21.208 15.947 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.768 -20.306 18.020 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.375 -19.227 16.695 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.024 -20.094 16.692 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.418 -21.162 18.024 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.983 -19.183 19.455 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.616 -18.107 18.122 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.283 -18.976 18.035 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.641 -20.109 19.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.483 -18.180 20.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.045 -18.246 20.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.698 -17.148 19.564 1.00 0.00 H new ATOM 599 N ASN A 36 9.139 -23.225 17.478 1.00 0.00 N ATOM 600 CA ASN A 36 9.046 -24.574 18.021 1.00 0.00 C ATOM 601 C ASN A 36 9.138 -24.448 19.537 1.00 0.00 C ATOM 602 O ASN A 36 10.161 -24.012 20.070 1.00 0.00 O ATOM 603 CB ASN A 36 10.112 -25.493 17.396 1.00 0.00 C ATOM 604 CG ASN A 36 9.647 -26.942 17.354 1.00 0.00 C ATOM 605 OD1 ASN A 36 8.691 -27.305 18.034 1.00 0.00 O ATOM 606 ND2 ASN A 36 10.253 -27.786 16.542 1.00 0.00 N ATOM 0 H ASN A 36 9.968 -22.716 17.783 1.00 0.00 H new ATOM 0 HA ASN A 36 8.099 -25.052 17.770 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.339 -25.153 16.385 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.036 -25.423 17.970 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.929 -28.751 16.474 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.046 -27.474 15.982 1.00 0.00 H new ATOM 613 N ARG A 37 8.008 -24.664 20.206 1.00 0.00 N ATOM 614 CA ARG A 37 7.702 -24.114 21.524 1.00 0.00 C ATOM 615 C ARG A 37 8.333 -24.963 22.620 1.00 0.00 C ATOM 616 O ARG A 37 8.513 -26.171 22.456 1.00 0.00 O ATOM 617 CB ARG A 37 6.173 -24.092 21.699 1.00 0.00 C ATOM 618 CG ARG A 37 5.427 -23.204 20.681 1.00 0.00 C ATOM 619 CD ARG A 37 3.927 -23.523 20.578 1.00 0.00 C ATOM 620 NE ARG A 37 3.270 -23.716 21.882 1.00 0.00 N ATOM 621 CZ ARG A 37 2.351 -22.926 22.455 1.00 0.00 C ATOM 622 NH1 ARG A 37 1.948 -21.784 21.902 1.00 0.00 N ATOM 623 NH2 ARG A 37 1.824 -23.301 23.614 1.00 0.00 N ATOM 0 H ARG A 37 7.257 -25.245 19.834 1.00 0.00 H new ATOM 0 HA ARG A 37 8.108 -23.105 21.600 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.796 -25.111 21.618 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.940 -23.744 22.705 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.550 -22.158 20.963 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.885 -23.325 19.699 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.428 -22.712 20.047 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.797 -24.424 19.979 1.00 0.00 H new ATOM 0 HE ARG A 37 3.546 -24.545 22.409 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.341 -21.482 21.010 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.246 -21.211 22.370 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.120 -24.174 24.050 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.123 -22.716 24.069 1.00 0.00 H new ATOM 637 N ASP A 38 8.591 -24.356 23.779 1.00 0.00 N ATOM 638 CA ASP A 38 9.111 -25.073 24.947 1.00 0.00 C ATOM 639 C ASP A 38 8.111 -26.108 25.471 1.00 0.00 C ATOM 640 O ASP A 38 8.510 -27.140 26.008 1.00 0.00 O ATOM 641 CB ASP A 38 9.470 -24.077 26.055 1.00 0.00 C ATOM 642 CG ASP A 38 9.985 -24.798 27.313 1.00 0.00 C ATOM 643 OD1 ASP A 38 11.130 -25.300 27.302 1.00 0.00 O ATOM 644 OD2 ASP A 38 9.264 -24.827 28.336 1.00 0.00 O ATOM 0 H ASP A 38 8.447 -23.358 23.936 1.00 0.00 H new ATOM 0 HA ASP A 38 10.007 -25.610 24.636 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.231 -23.386 25.693 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.593 -23.481 26.309 1.00 0.00 H new ATOM 649 N ASP A 39 6.811 -25.866 25.268 1.00 0.00 N ATOM 650 CA ASP A 39 5.739 -26.799 25.620 1.00 0.00 C ATOM 651 C ASP A 39 5.682 -28.029 24.700 1.00 0.00 C ATOM 652 O ASP A 39 4.903 -28.948 24.962 1.00 0.00 O ATOM 653 CB ASP A 39 4.376 -26.088 25.692 1.00 0.00 C ATOM 654 CG ASP A 39 3.575 -26.050 24.385 1.00 0.00 C ATOM 655 OD1 ASP A 39 4.148 -26.046 23.276 1.00 0.00 O ATOM 656 OD2 ASP A 39 2.337 -25.885 24.460 1.00 0.00 O ATOM 0 H ASP A 39 6.471 -25.001 24.847 1.00 0.00 H new ATOM 0 HA ASP A 39 5.978 -27.175 26.615 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.770 -26.580 26.453 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.539 -25.063 26.027 1.00 0.00 H new ATOM 661 N GLY A 40 6.503 -28.067 23.645 1.00 0.00 N ATOM 662 CA GLY A 40 6.683 -29.220 22.776 1.00 0.00 C ATOM 663 C GLY A 40 6.016 -29.067 21.409 1.00 0.00 C ATOM 664 O GLY A 40 6.349 -29.824 20.494 1.00 0.00 O ATOM 0 H GLY A 40 7.075 -27.269 23.370 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.750 -29.394 22.633 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.280 -30.104 23.271 1.00 0.00 H new ATOM 668 N ARG A 41 5.072 -28.132 21.246 1.00 0.00 N ATOM 669 CA ARG A 41 4.314 -28.001 20.007 1.00 0.00 C ATOM 670 C ARG A 41 5.071 -27.127 19.018 1.00 0.00 C ATOM 671 O ARG A 41 5.806 -26.224 19.407 1.00 0.00 O ATOM 672 CB ARG A 41 2.917 -27.433 20.305 1.00 0.00 C ATOM 673 CG ARG A 41 2.053 -28.485 21.015 1.00 0.00 C ATOM 674 CD ARG A 41 0.636 -27.986 21.317 1.00 0.00 C ATOM 675 NE ARG A 41 0.593 -27.109 22.499 1.00 0.00 N ATOM 676 CZ ARG A 41 -0.516 -26.687 23.115 1.00 0.00 C ATOM 677 NH1 ARG A 41 -1.724 -26.931 22.610 1.00 0.00 N ATOM 678 NH2 ARG A 41 -0.389 -26.024 24.255 1.00 0.00 N ATOM 0 H ARG A 41 4.818 -27.454 21.964 1.00 0.00 H new ATOM 0 HA ARG A 41 4.189 -28.984 19.554 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.004 -26.543 20.929 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.437 -27.125 19.376 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.994 -29.379 20.394 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.537 -28.776 21.947 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.251 -27.446 20.452 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.021 -28.841 21.477 1.00 0.00 H new ATOM 0 HE ARG A 41 1.486 -26.797 22.881 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.816 -27.449 21.736 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.557 -26.600 23.097 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.538 -25.847 24.641 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.218 -25.690 24.746 1.00 0.00 H new ATOM 692 N VAL A 42 4.842 -27.340 17.732 1.00 0.00 N ATOM 693 CA VAL A 42 5.200 -26.356 16.717 1.00 0.00 C ATOM 694 C VAL A 42 4.021 -25.393 16.632 1.00 0.00 C ATOM 695 O VAL A 42 2.867 -25.817 16.768 1.00 0.00 O ATOM 696 CB VAL A 42 5.470 -27.020 15.347 1.00 0.00 C ATOM 697 CG1 VAL A 42 6.178 -26.049 14.388 1.00 0.00 C ATOM 698 CG2 VAL A 42 6.318 -28.293 15.451 1.00 0.00 C ATOM 0 H VAL A 42 4.409 -28.187 17.363 1.00 0.00 H new ATOM 0 HA VAL A 42 6.122 -25.840 16.985 1.00 0.00 H new ATOM 0 HB VAL A 42 4.487 -27.290 14.960 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.354 -26.544 13.433 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.551 -25.171 14.231 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.131 -25.742 14.819 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.471 -28.710 14.456 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.283 -28.052 15.896 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.803 -29.023 16.075 1.00 0.00 H new ATOM 708 N GLU A 43 4.301 -24.120 16.358 1.00 0.00 N ATOM 709 CA GLU A 43 3.295 -23.116 16.052 1.00 0.00 C ATOM 710 C GLU A 43 3.782 -22.330 14.838 1.00 0.00 C ATOM 711 O GLU A 43 4.965 -22.003 14.719 1.00 0.00 O ATOM 712 CB GLU A 43 3.042 -22.266 17.308 1.00 0.00 C ATOM 713 CG GLU A 43 2.118 -21.051 17.118 1.00 0.00 C ATOM 714 CD GLU A 43 1.543 -20.556 18.464 1.00 0.00 C ATOM 715 OE1 GLU A 43 2.292 -20.538 19.468 1.00 0.00 O ATOM 716 OE2 GLU A 43 0.346 -20.187 18.519 1.00 0.00 O ATOM 0 H GLU A 43 5.253 -23.755 16.343 1.00 0.00 H new ATOM 0 HA GLU A 43 2.329 -23.546 15.787 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.614 -22.908 18.078 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.002 -21.913 17.685 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.672 -20.243 16.640 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.300 -21.317 16.448 1.00 0.00 H new ATOM 723 N ILE A 44 2.865 -22.078 13.908 1.00 0.00 N ATOM 724 CA ILE A 44 3.128 -21.543 12.583 1.00 0.00 C ATOM 725 C ILE A 44 2.048 -20.494 12.336 1.00 0.00 C ATOM 726 O ILE A 44 0.904 -20.699 12.743 1.00 0.00 O ATOM 727 CB ILE A 44 3.040 -22.661 11.505 1.00 0.00 C ATOM 728 CG1 ILE A 44 3.654 -24.020 11.924 1.00 0.00 C ATOM 729 CG2 ILE A 44 3.673 -22.154 10.198 1.00 0.00 C ATOM 730 CD1 ILE A 44 3.517 -25.136 10.878 1.00 0.00 C ATOM 0 H ILE A 44 1.873 -22.251 14.069 1.00 0.00 H new ATOM 0 HA ILE A 44 4.131 -21.119 12.522 1.00 0.00 H new ATOM 0 HB ILE A 44 1.980 -22.871 11.365 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.712 -23.873 12.142 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.180 -24.348 12.849 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.614 -22.934 9.439 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.137 -21.270 9.853 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.718 -21.898 10.375 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.975 -26.049 11.258 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.461 -25.317 10.675 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.017 -24.835 9.957 1.00 0.00 H new ATOM 742 N LEU A 45 2.373 -19.417 11.631 1.00 0.00 N ATOM 743 CA LEU A 45 1.424 -18.406 11.175 1.00 0.00 C ATOM 744 C LEU A 45 1.831 -18.113 9.737 1.00 0.00 C ATOM 745 O LEU A 45 3.015 -17.884 9.495 1.00 0.00 O ATOM 746 CB LEU A 45 1.515 -17.178 12.098 1.00 0.00 C ATOM 747 CG LEU A 45 0.372 -16.152 11.963 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.493 -15.128 13.099 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.382 -15.387 10.634 1.00 0.00 C ATOM 0 H LEU A 45 3.333 -19.216 11.352 1.00 0.00 H new ATOM 0 HA LEU A 45 0.382 -18.724 11.209 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.547 -17.525 13.131 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.459 -16.670 11.903 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.559 -16.716 12.007 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.310 -14.396 13.016 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.420 -15.639 14.059 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.455 -14.621 13.031 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.451 -14.684 10.612 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.320 -14.841 10.536 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.284 -16.091 9.808 1.00 0.00 H new ATOM 761 N ALA A 46 0.899 -18.170 8.787 1.00 0.00 N ATOM 762 CA ALA A 46 1.191 -18.044 7.365 1.00 0.00 C ATOM 763 C ALA A 46 0.101 -17.238 6.666 1.00 0.00 C ATOM 764 O ALA A 46 -1.042 -17.212 7.119 1.00 0.00 O ATOM 765 CB ALA A 46 1.318 -19.442 6.751 1.00 0.00 C ATOM 0 H ALA A 46 -0.092 -18.307 8.988 1.00 0.00 H new ATOM 0 HA ALA A 46 2.133 -17.512 7.233 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.537 -19.354 5.687 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.126 -19.984 7.243 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.382 -19.985 6.885 1.00 0.00 H new ATOM 771 N GLU A 47 0.447 -16.615 5.544 1.00 0.00 N ATOM 772 CA GLU A 47 -0.375 -15.674 4.798 1.00 0.00 C ATOM 773 C GLU A 47 -0.248 -16.019 3.314 1.00 0.00 C ATOM 774 O GLU A 47 0.870 -16.237 2.833 1.00 0.00 O ATOM 775 CB GLU A 47 0.140 -14.244 5.043 1.00 0.00 C ATOM 776 CG GLU A 47 -0.130 -13.732 6.460 1.00 0.00 C ATOM 777 CD GLU A 47 0.440 -12.318 6.663 1.00 0.00 C ATOM 778 OE1 GLU A 47 -0.069 -11.355 6.051 1.00 0.00 O ATOM 779 OE2 GLU A 47 1.419 -12.155 7.424 1.00 0.00 O ATOM 0 H GLU A 47 1.358 -16.762 5.109 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.416 -15.734 5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.213 -14.215 4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.329 -13.570 4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.204 -13.724 6.647 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.315 -14.413 7.186 1.00 0.00 H new ATOM 786 N GLY A 48 -1.369 -16.069 2.585 1.00 0.00 N ATOM 787 CA GLY A 48 -1.367 -16.435 1.172 1.00 0.00 C ATOM 788 C GLY A 48 -2.764 -16.757 0.644 1.00 0.00 C ATOM 789 O GLY A 48 -3.750 -16.539 1.352 1.00 0.00 O ATOM 0 H GLY A 48 -2.294 -15.858 2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.943 -15.617 0.590 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.720 -17.300 1.026 1.00 0.00 H new ATOM 793 N PRO A 49 -2.880 -17.242 -0.604 1.00 0.00 N ATOM 794 CA PRO A 49 -4.141 -17.729 -1.146 1.00 0.00 C ATOM 795 C PRO A 49 -4.527 -19.068 -0.503 1.00 0.00 C ATOM 796 O PRO A 49 -3.672 -19.817 -0.019 1.00 0.00 O ATOM 797 CB PRO A 49 -3.909 -17.851 -2.655 1.00 0.00 C ATOM 798 CG PRO A 49 -2.413 -18.137 -2.767 1.00 0.00 C ATOM 799 CD PRO A 49 -1.808 -17.384 -1.581 1.00 0.00 C ATOM 0 HA PRO A 49 -4.973 -17.058 -0.935 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.504 -18.655 -3.088 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.182 -16.934 -3.178 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.205 -19.205 -2.711 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.008 -17.783 -3.715 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.966 -17.933 -1.159 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.430 -16.409 -1.890 1.00 0.00 H new ATOM 807 N GLU A 50 -5.824 -19.388 -0.534 1.00 0.00 N ATOM 808 CA GLU A 50 -6.384 -20.552 0.145 1.00 0.00 C ATOM 809 C GLU A 50 -5.729 -21.848 -0.339 1.00 0.00 C ATOM 810 O GLU A 50 -5.352 -22.675 0.484 1.00 0.00 O ATOM 811 CB GLU A 50 -7.908 -20.576 -0.069 1.00 0.00 C ATOM 812 CG GLU A 50 -8.602 -21.677 0.746 1.00 0.00 C ATOM 813 CD GLU A 50 -10.121 -21.689 0.495 1.00 0.00 C ATOM 814 OE1 GLU A 50 -10.576 -22.334 -0.477 1.00 0.00 O ATOM 815 OE2 GLU A 50 -10.882 -21.072 1.274 1.00 0.00 O ATOM 0 H GLU A 50 -6.519 -18.838 -1.038 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.177 -20.477 1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.325 -19.607 0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.120 -20.725 -1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.181 -22.647 0.483 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.408 -21.523 1.808 1.00 0.00 H new ATOM 822 N ASN A 51 -5.541 -22.024 -1.653 1.00 0.00 N ATOM 823 CA ASN A 51 -4.969 -23.258 -2.204 1.00 0.00 C ATOM 824 C ASN A 51 -3.545 -23.500 -1.696 1.00 0.00 C ATOM 825 O ASN A 51 -3.174 -24.633 -1.377 1.00 0.00 O ATOM 826 CB ASN A 51 -4.981 -23.210 -3.740 1.00 0.00 C ATOM 827 CG ASN A 51 -4.284 -24.429 -4.339 1.00 0.00 C ATOM 828 OD1 ASN A 51 -3.150 -24.341 -4.800 1.00 0.00 O ATOM 829 ND2 ASN A 51 -4.927 -25.585 -4.333 1.00 0.00 N ATOM 0 H ASN A 51 -5.778 -21.324 -2.356 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.588 -24.088 -1.864 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.010 -23.165 -4.096 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.486 -22.301 -4.081 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.481 -26.419 -4.715 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.869 -25.643 -3.946 1.00 0.00 H new ATOM 836 N ALA A 52 -2.756 -22.429 -1.593 1.00 0.00 N ATOM 837 CA ALA A 52 -1.401 -22.507 -1.073 1.00 0.00 C ATOM 838 C ALA A 52 -1.432 -22.853 0.412 1.00 0.00 C ATOM 839 O ALA A 52 -0.699 -23.742 0.839 1.00 0.00 O ATOM 840 CB ALA A 52 -0.663 -21.187 -1.320 1.00 0.00 C ATOM 0 H ALA A 52 -3.042 -21.489 -1.868 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.861 -23.297 -1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.351 -21.258 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.623 -20.987 -2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.191 -20.376 -0.819 1.00 0.00 H new ATOM 846 N LEU A 53 -2.291 -22.196 1.193 1.00 0.00 N ATOM 847 CA LEU A 53 -2.388 -22.435 2.628 1.00 0.00 C ATOM 848 C LEU A 53 -2.913 -23.843 2.926 1.00 0.00 C ATOM 849 O LEU A 53 -2.426 -24.486 3.853 1.00 0.00 O ATOM 850 CB LEU A 53 -3.276 -21.360 3.268 1.00 0.00 C ATOM 851 CG LEU A 53 -2.638 -19.956 3.300 1.00 0.00 C ATOM 852 CD1 LEU A 53 -3.689 -18.935 3.738 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.432 -19.873 4.247 1.00 0.00 C ATOM 0 H LEU A 53 -2.936 -21.486 0.847 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.390 -22.371 3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.217 -21.308 2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.517 -21.662 4.287 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.278 -19.741 2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.243 -17.941 3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.520 -18.943 3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.055 -19.193 4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.024 -18.862 4.229 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.748 -20.118 5.261 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.667 -20.579 3.925 1.00 0.00 H new ATOM 865 N GLN A 54 -3.846 -24.370 2.129 1.00 0.00 N ATOM 866 CA GLN A 54 -4.294 -25.750 2.240 1.00 0.00 C ATOM 867 C GLN A 54 -3.132 -26.700 1.945 1.00 0.00 C ATOM 868 O GLN A 54 -2.878 -27.607 2.735 1.00 0.00 O ATOM 869 CB GLN A 54 -5.469 -26.003 1.280 1.00 0.00 C ATOM 870 CG GLN A 54 -6.794 -25.382 1.753 1.00 0.00 C ATOM 871 CD GLN A 54 -7.310 -26.026 3.039 1.00 0.00 C ATOM 872 OE1 GLN A 54 -7.124 -25.494 4.130 1.00 0.00 O ATOM 873 NE2 GLN A 54 -7.950 -27.181 2.953 1.00 0.00 N ATOM 0 H GLN A 54 -4.310 -23.845 1.388 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.640 -25.935 3.257 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.219 -25.601 0.298 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.604 -27.078 1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.654 -24.313 1.915 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.544 -25.490 0.969 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.099 -27.615 2.042 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.294 -27.638 3.798 1.00 0.00 H new ATOM 882 N SER A 55 -2.385 -26.474 0.859 1.00 0.00 N ATOM 883 CA SER A 55 -1.226 -27.305 0.533 1.00 0.00 C ATOM 884 C SER A 55 -0.174 -27.255 1.653 1.00 0.00 C ATOM 885 O SER A 55 0.466 -28.261 1.962 1.00 0.00 O ATOM 886 CB SER A 55 -0.615 -26.844 -0.795 1.00 0.00 C ATOM 887 OG SER A 55 -1.574 -26.846 -1.839 1.00 0.00 O ATOM 0 H SER A 55 -2.564 -25.723 0.193 1.00 0.00 H new ATOM 0 HA SER A 55 -1.559 -28.338 0.436 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.205 -25.841 -0.679 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.215 -27.499 -1.061 1.00 0.00 H new ATOM 0 HG SER A 55 -2.167 -26.072 -1.740 1.00 0.00 H new ATOM 893 N PHE A 56 -0.014 -26.093 2.289 1.00 0.00 N ATOM 894 CA PHE A 56 0.902 -25.895 3.394 1.00 0.00 C ATOM 895 C PHE A 56 0.465 -26.735 4.595 1.00 0.00 C ATOM 896 O PHE A 56 1.297 -27.454 5.143 1.00 0.00 O ATOM 897 CB PHE A 56 0.972 -24.395 3.692 1.00 0.00 C ATOM 898 CG PHE A 56 2.005 -23.955 4.704 1.00 0.00 C ATOM 899 CD1 PHE A 56 3.377 -24.109 4.432 1.00 0.00 C ATOM 900 CD2 PHE A 56 1.592 -23.301 5.878 1.00 0.00 C ATOM 901 CE1 PHE A 56 4.329 -23.587 5.326 1.00 0.00 C ATOM 902 CE2 PHE A 56 2.545 -22.774 6.764 1.00 0.00 C ATOM 903 CZ PHE A 56 3.913 -22.898 6.476 1.00 0.00 C ATOM 0 H PHE A 56 -0.532 -25.251 2.039 1.00 0.00 H new ATOM 0 HA PHE A 56 1.907 -26.234 3.144 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.166 -23.870 2.757 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.008 -24.071 4.042 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.698 -24.626 3.540 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.539 -23.204 6.099 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.383 -23.717 5.127 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.226 -22.274 7.666 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.646 -22.463 7.139 1.00 0.00 H new ATOM 913 N VAL A 57 -0.826 -26.739 4.960 1.00 0.00 N ATOM 914 CA VAL A 57 -1.342 -27.632 5.997 1.00 0.00 C ATOM 915 C VAL A 57 -1.029 -29.084 5.619 1.00 0.00 C ATOM 916 O VAL A 57 -0.478 -29.812 6.445 1.00 0.00 O ATOM 917 CB VAL A 57 -2.854 -27.404 6.240 1.00 0.00 C ATOM 918 CG1 VAL A 57 -3.463 -28.453 7.187 1.00 0.00 C ATOM 919 CG2 VAL A 57 -3.128 -26.027 6.858 1.00 0.00 C ATOM 0 H VAL A 57 -1.531 -26.129 4.547 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.846 -27.408 6.941 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.314 -27.483 5.255 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.525 -28.247 7.324 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.338 -29.447 6.757 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.958 -28.409 8.152 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.200 -25.905 7.013 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.611 -25.948 7.815 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.768 -25.248 6.186 1.00 0.00 H new ATOM 929 N GLU A 58 -1.323 -29.493 4.378 1.00 0.00 N ATOM 930 CA GLU A 58 -1.153 -30.871 3.919 1.00 0.00 C ATOM 931 C GLU A 58 0.299 -31.327 4.101 1.00 0.00 C ATOM 932 O GLU A 58 0.545 -32.448 4.548 1.00 0.00 O ATOM 933 CB GLU A 58 -1.591 -31.011 2.449 1.00 0.00 C ATOM 934 CG GLU A 58 -3.106 -30.885 2.226 1.00 0.00 C ATOM 935 CD GLU A 58 -3.854 -32.187 2.548 1.00 0.00 C ATOM 936 OE1 GLU A 58 -4.233 -32.399 3.722 1.00 0.00 O ATOM 937 OE2 GLU A 58 -4.074 -33.012 1.633 1.00 0.00 O ATOM 0 H GLU A 58 -1.689 -28.868 3.660 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.789 -31.515 4.526 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.084 -30.249 1.857 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.260 -31.979 2.074 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.497 -30.081 2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.296 -30.606 1.190 1.00 0.00 H new ATOM 944 N ALA A 59 1.257 -30.445 3.804 1.00 0.00 N ATOM 945 CA ALA A 59 2.678 -30.701 3.995 1.00 0.00 C ATOM 946 C ALA A 59 3.032 -30.776 5.486 1.00 0.00 C ATOM 947 O ALA A 59 3.744 -31.688 5.914 1.00 0.00 O ATOM 948 CB ALA A 59 3.499 -29.610 3.298 1.00 0.00 C ATOM 0 H ALA A 59 1.059 -29.521 3.419 1.00 0.00 H new ATOM 0 HA ALA A 59 2.919 -31.667 3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.561 -29.805 3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.273 -29.610 2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.247 -28.638 3.723 1.00 0.00 H new ATOM 954 N VAL A 60 2.522 -29.846 6.294 1.00 0.00 N ATOM 955 CA VAL A 60 2.761 -29.802 7.732 1.00 0.00 C ATOM 956 C VAL A 60 2.222 -31.067 8.421 1.00 0.00 C ATOM 957 O VAL A 60 2.808 -31.482 9.422 1.00 0.00 O ATOM 958 CB VAL A 60 2.201 -28.480 8.306 1.00 0.00 C ATOM 959 CG1 VAL A 60 2.231 -28.433 9.836 1.00 0.00 C ATOM 960 CG2 VAL A 60 3.038 -27.283 7.819 1.00 0.00 C ATOM 0 H VAL A 60 1.922 -29.092 5.960 1.00 0.00 H new ATOM 0 HA VAL A 60 3.832 -29.805 7.936 1.00 0.00 H new ATOM 0 HB VAL A 60 1.169 -28.428 7.958 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.825 -27.481 10.179 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.630 -29.249 10.237 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.259 -28.535 10.183 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.629 -26.361 8.233 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.070 -27.403 8.149 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.008 -27.237 6.730 1.00 0.00 H new ATOM 970 N LYS A 61 1.192 -31.742 7.884 1.00 0.00 N ATOM 971 CA LYS A 61 0.752 -33.028 8.441 1.00 0.00 C ATOM 972 C LYS A 61 1.887 -34.056 8.451 1.00 0.00 C ATOM 973 O LYS A 61 1.895 -34.931 9.313 1.00 0.00 O ATOM 974 CB LYS A 61 -0.438 -33.655 7.691 1.00 0.00 C ATOM 975 CG LYS A 61 -1.626 -32.730 7.410 1.00 0.00 C ATOM 976 CD LYS A 61 -2.885 -33.470 6.938 1.00 0.00 C ATOM 977 CE LYS A 61 -2.605 -34.416 5.759 1.00 0.00 C ATOM 978 NZ LYS A 61 -3.846 -34.786 5.041 1.00 0.00 N ATOM 0 H LYS A 61 0.656 -31.423 7.077 1.00 0.00 H new ATOM 0 HA LYS A 61 0.436 -32.788 9.456 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.076 -34.045 6.740 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.797 -34.507 8.269 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.862 -32.171 8.315 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.337 -32.002 6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.299 -34.042 7.768 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.641 -32.742 6.644 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.914 -33.937 5.066 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.115 -35.318 6.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.705 -35.691 4.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.626 -34.880 5.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.079 -34.047 4.348 1.00 0.00 H new ATOM 992 N ASN A 62 2.812 -33.991 7.487 1.00 0.00 N ATOM 993 CA ASN A 62 3.925 -34.928 7.406 1.00 0.00 C ATOM 994 C ASN A 62 5.074 -34.503 8.318 1.00 0.00 C ATOM 995 O ASN A 62 5.676 -35.344 8.987 1.00 0.00 O ATOM 996 CB ASN A 62 4.431 -35.059 5.962 1.00 0.00 C ATOM 997 CG ASN A 62 5.392 -36.242 5.840 1.00 0.00 C ATOM 998 OD1 ASN A 62 4.963 -37.379 5.669 1.00 0.00 O ATOM 999 ND2 ASN A 62 6.691 -36.021 5.922 1.00 0.00 N ATOM 0 H ASN A 62 2.806 -33.289 6.747 1.00 0.00 H new ATOM 0 HA ASN A 62 3.556 -35.898 7.740 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.588 -35.196 5.285 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.935 -34.140 5.662 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.347 -36.798 5.843 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.039 -35.073 6.064 1.00 0.00 H new ATOM 1006 N GLY A 63 5.376 -33.202 8.343 1.00 0.00 N ATOM 1007 CA GLY A 63 6.623 -32.696 8.902 1.00 0.00 C ATOM 1008 C GLY A 63 7.810 -33.086 8.015 1.00 0.00 C ATOM 1009 O GLY A 63 7.620 -33.553 6.887 1.00 0.00 O ATOM 0 H GLY A 63 4.762 -32.475 7.976 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.572 -31.611 8.995 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.766 -33.095 9.906 1.00 0.00 H new ATOM 1013 N SER A 64 9.036 -32.892 8.509 1.00 0.00 N ATOM 1014 CA SER A 64 10.243 -33.316 7.805 1.00 0.00 C ATOM 1015 C SER A 64 10.243 -34.841 7.582 1.00 0.00 C ATOM 1016 O SER A 64 9.509 -35.563 8.264 1.00 0.00 O ATOM 1017 CB SER A 64 11.486 -32.862 8.588 1.00 0.00 C ATOM 1018 OG SER A 64 11.644 -33.601 9.787 1.00 0.00 O ATOM 0 H SER A 64 9.216 -32.438 9.405 1.00 0.00 H new ATOM 0 HA SER A 64 10.264 -32.847 6.821 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.373 -32.982 7.966 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.402 -31.801 8.822 1.00 0.00 H new ATOM 0 HG SER A 64 12.449 -33.297 10.255 1.00 0.00 H new ATOM 1024 N PRO A 65 11.120 -35.374 6.710 1.00 0.00 N ATOM 1025 CA PRO A 65 11.362 -36.811 6.589 1.00 0.00 C ATOM 1026 C PRO A 65 11.699 -37.522 7.913 1.00 0.00 C ATOM 1027 O PRO A 65 11.545 -38.742 7.998 1.00 0.00 O ATOM 1028 CB PRO A 65 12.512 -36.950 5.586 1.00 0.00 C ATOM 1029 CG PRO A 65 12.397 -35.689 4.733 1.00 0.00 C ATOM 1030 CD PRO A 65 11.923 -34.644 5.738 1.00 0.00 C ATOM 0 HA PRO A 65 10.446 -37.302 6.261 1.00 0.00 H new ATOM 0 HB2 PRO A 65 13.478 -37.008 6.088 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.412 -37.853 4.983 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.352 -35.415 4.285 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.686 -35.816 3.916 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.768 -34.150 6.219 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.336 -33.867 5.249 1.00 0.00 H new ATOM 1038 N PHE A 66 12.156 -36.787 8.938 1.00 0.00 N ATOM 1039 CA PHE A 66 12.534 -37.330 10.242 1.00 0.00 C ATOM 1040 C PHE A 66 11.458 -37.047 11.305 1.00 0.00 C ATOM 1041 O PHE A 66 11.467 -37.672 12.369 1.00 0.00 O ATOM 1042 CB PHE A 66 13.909 -36.743 10.615 1.00 0.00 C ATOM 1043 CG PHE A 66 14.604 -37.257 11.872 1.00 0.00 C ATOM 1044 CD1 PHE A 66 14.371 -38.549 12.390 1.00 0.00 C ATOM 1045 CD2 PHE A 66 15.546 -36.424 12.509 1.00 0.00 C ATOM 1046 CE1 PHE A 66 15.034 -38.978 13.554 1.00 0.00 C ATOM 1047 CE2 PHE A 66 16.209 -36.853 13.672 1.00 0.00 C ATOM 1048 CZ PHE A 66 15.949 -38.129 14.200 1.00 0.00 C ATOM 0 H PHE A 66 12.274 -35.776 8.877 1.00 0.00 H new ATOM 0 HA PHE A 66 12.610 -38.416 10.194 1.00 0.00 H new ATOM 0 HB2 PHE A 66 14.580 -36.911 9.773 1.00 0.00 H new ATOM 0 HB3 PHE A 66 13.792 -35.664 10.719 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.680 -39.212 11.890 1.00 0.00 H new ATOM 0 HD2 PHE A 66 15.760 -35.448 12.100 1.00 0.00 H new ATOM 0 HE1 PHE A 66 14.839 -39.963 13.953 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.919 -36.201 14.160 1.00 0.00 H new ATOM 0 HZ PHE A 66 16.450 -38.456 15.099 1.00 0.00 H new ATOM 1058 N SER A 67 10.499 -36.160 11.037 1.00 0.00 N ATOM 1059 CA SER A 67 9.384 -35.897 11.931 1.00 0.00 C ATOM 1060 C SER A 67 8.435 -37.098 12.000 1.00 0.00 C ATOM 1061 O SER A 67 8.435 -37.975 11.130 1.00 0.00 O ATOM 1062 CB SER A 67 8.606 -34.679 11.426 1.00 0.00 C ATOM 1063 OG SER A 67 9.425 -33.528 11.348 1.00 0.00 O ATOM 0 H SER A 67 10.479 -35.602 10.184 1.00 0.00 H new ATOM 0 HA SER A 67 9.783 -35.710 12.928 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.189 -34.896 10.442 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.766 -34.483 12.092 1.00 0.00 H new ATOM 0 HG SER A 67 10.156 -33.689 10.716 1.00 0.00 H new ATOM 1069 N LYS A 68 7.558 -37.078 13.002 1.00 0.00 N ATOM 1070 CA LYS A 68 6.292 -37.803 13.010 1.00 0.00 C ATOM 1071 C LYS A 68 5.292 -36.905 13.721 1.00 0.00 C ATOM 1072 O LYS A 68 5.630 -36.306 14.739 1.00 0.00 O ATOM 1073 CB LYS A 68 6.442 -39.158 13.719 1.00 0.00 C ATOM 1074 CG LYS A 68 5.123 -39.950 13.703 1.00 0.00 C ATOM 1075 CD LYS A 68 5.302 -41.329 14.346 1.00 0.00 C ATOM 1076 CE LYS A 68 3.985 -42.117 14.441 1.00 0.00 C ATOM 1077 NZ LYS A 68 3.453 -42.533 13.117 1.00 0.00 N ATOM 0 H LYS A 68 7.715 -36.541 13.855 1.00 0.00 H new ATOM 0 HA LYS A 68 5.955 -38.028 11.998 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.224 -39.741 13.232 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.759 -38.998 14.749 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.354 -39.393 14.238 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.777 -40.066 12.676 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.024 -41.904 13.766 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.720 -41.208 15.345 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.143 -43.003 15.056 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.239 -41.505 14.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.566 -43.059 13.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.272 -41.690 12.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.148 -43.141 12.639 1.00 0.00 H new ATOM 1091 N VAL A 69 4.073 -36.826 13.209 1.00 0.00 N ATOM 1092 CA VAL A 69 3.016 -35.983 13.756 1.00 0.00 C ATOM 1093 C VAL A 69 1.973 -36.918 14.368 1.00 0.00 C ATOM 1094 O VAL A 69 1.671 -37.968 13.794 1.00 0.00 O ATOM 1095 CB VAL A 69 2.457 -35.084 12.630 1.00 0.00 C ATOM 1096 CG1 VAL A 69 1.250 -34.249 13.080 1.00 0.00 C ATOM 1097 CG2 VAL A 69 3.546 -34.131 12.104 1.00 0.00 C ATOM 0 H VAL A 69 3.784 -37.355 12.386 1.00 0.00 H new ATOM 0 HA VAL A 69 3.370 -35.309 14.536 1.00 0.00 H new ATOM 0 HB VAL A 69 2.129 -35.759 11.840 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.900 -33.638 12.248 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.449 -34.913 13.404 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.543 -33.603 13.907 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.132 -33.507 11.312 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.899 -33.498 12.918 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.379 -34.713 11.709 1.00 0.00 H new ATOM 1107 N THR A 70 1.417 -36.534 15.517 1.00 0.00 N ATOM 1108 CA THR A 70 0.397 -37.296 16.229 1.00 0.00 C ATOM 1109 C THR A 70 -0.866 -36.452 16.448 1.00 0.00 C ATOM 1110 O THR A 70 -1.943 -37.015 16.658 1.00 0.00 O ATOM 1111 CB THR A 70 0.989 -37.839 17.545 1.00 0.00 C ATOM 1112 OG1 THR A 70 1.503 -36.790 18.343 1.00 0.00 O ATOM 1113 CG2 THR A 70 2.150 -38.808 17.280 1.00 0.00 C ATOM 0 H THR A 70 1.670 -35.665 15.987 1.00 0.00 H new ATOM 0 HA THR A 70 0.088 -38.150 15.626 1.00 0.00 H new ATOM 0 HB THR A 70 0.174 -38.351 18.057 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.871 -37.160 19.172 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.544 -39.172 18.229 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.793 -39.651 16.688 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.939 -38.290 16.734 1.00 0.00 H new ATOM 1121 N ASP A 71 -0.773 -35.120 16.344 1.00 0.00 N ATOM 1122 CA ASP A 71 -1.915 -34.209 16.357 1.00 0.00 C ATOM 1123 C ASP A 71 -1.545 -32.940 15.591 1.00 0.00 C ATOM 1124 O ASP A 71 -0.378 -32.540 15.571 1.00 0.00 O ATOM 1125 CB ASP A 71 -2.307 -33.856 17.799 1.00 0.00 C ATOM 1126 CG ASP A 71 -3.494 -32.882 17.843 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -4.536 -33.171 17.213 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.397 -31.840 18.528 1.00 0.00 O ATOM 0 H ASP A 71 0.121 -34.639 16.246 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.768 -34.694 15.881 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.564 -34.767 18.340 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.453 -33.412 18.310 1.00 0.00 H new ATOM 1133 N ILE A 72 -2.533 -32.307 14.965 1.00 0.00 N ATOM 1134 CA ILE A 72 -2.386 -31.069 14.215 1.00 0.00 C ATOM 1135 C ILE A 72 -3.724 -30.321 14.299 1.00 0.00 C ATOM 1136 O ILE A 72 -4.788 -30.950 14.276 1.00 0.00 O ATOM 1137 CB ILE A 72 -1.920 -31.366 12.763 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -1.670 -30.052 11.988 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -2.868 -32.313 11.997 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -1.091 -30.246 10.582 1.00 0.00 C ATOM 0 H ILE A 72 -3.491 -32.657 14.968 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.610 -30.429 14.635 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.975 -31.903 12.842 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.611 -29.507 11.908 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.988 -29.428 12.566 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.483 -32.478 10.991 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.932 -33.266 12.522 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.860 -31.865 11.937 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.947 -29.274 10.110 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.133 -30.761 10.651 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.781 -30.841 9.983 1.00 0.00 H new ATOM 1152 N SER A 73 -3.670 -28.990 14.373 1.00 0.00 N ATOM 1153 CA SER A 73 -4.826 -28.105 14.446 1.00 0.00 C ATOM 1154 C SER A 73 -4.541 -26.849 13.620 1.00 0.00 C ATOM 1155 O SER A 73 -3.378 -26.525 13.359 1.00 0.00 O ATOM 1156 CB SER A 73 -5.113 -27.731 15.911 1.00 0.00 C ATOM 1157 OG SER A 73 -5.305 -28.880 16.724 1.00 0.00 O ATOM 0 H SER A 73 -2.785 -28.483 14.384 1.00 0.00 H new ATOM 0 HA SER A 73 -5.704 -28.611 14.045 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.284 -27.143 16.304 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.001 -27.101 15.957 1.00 0.00 H new ATOM 0 HG SER A 73 -5.483 -28.602 17.647 1.00 0.00 H new ATOM 1163 N VAL A 74 -5.593 -26.134 13.221 1.00 0.00 N ATOM 1164 CA VAL A 74 -5.522 -24.958 12.359 1.00 0.00 C ATOM 1165 C VAL A 74 -6.464 -23.895 12.942 1.00 0.00 C ATOM 1166 O VAL A 74 -7.504 -24.221 13.520 1.00 0.00 O ATOM 1167 CB VAL A 74 -5.880 -25.341 10.898 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -5.685 -24.174 9.917 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -5.042 -26.523 10.377 1.00 0.00 C ATOM 0 H VAL A 74 -6.547 -26.366 13.498 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.512 -24.551 12.326 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.933 -25.619 10.939 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.950 -24.497 8.910 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.324 -23.341 10.211 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.643 -23.855 9.933 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.332 -26.750 9.351 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.985 -26.260 10.405 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.215 -27.397 11.005 1.00 0.00 H new ATOM 1179 N THR A 75 -6.095 -22.626 12.790 1.00 0.00 N ATOM 1180 CA THR A 75 -6.878 -21.443 13.134 1.00 0.00 C ATOM 1181 C THR A 75 -6.772 -20.486 11.930 1.00 0.00 C ATOM 1182 O THR A 75 -5.930 -20.687 11.050 1.00 0.00 O ATOM 1183 CB THR A 75 -6.351 -20.797 14.441 1.00 0.00 C ATOM 1184 OG1 THR A 75 -5.628 -21.697 15.273 1.00 0.00 O ATOM 1185 CG2 THR A 75 -7.480 -20.219 15.295 1.00 0.00 C ATOM 0 H THR A 75 -5.185 -22.381 12.399 1.00 0.00 H new ATOM 0 HA THR A 75 -7.921 -21.694 13.326 1.00 0.00 H new ATOM 0 HB THR A 75 -5.683 -20.011 14.089 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.245 -22.352 15.660 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.062 -19.777 16.200 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.009 -19.453 14.728 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.174 -21.014 15.567 1.00 0.00 H new ATOM 1193 N GLU A 76 -7.594 -19.438 11.872 1.00 0.00 N ATOM 1194 CA GLU A 76 -7.604 -18.475 10.771 1.00 0.00 C ATOM 1195 C GLU A 76 -7.554 -17.051 11.322 1.00 0.00 C ATOM 1196 O GLU A 76 -7.877 -16.806 12.489 1.00 0.00 O ATOM 1197 CB GLU A 76 -8.878 -18.649 9.923 1.00 0.00 C ATOM 1198 CG GLU A 76 -8.795 -19.815 8.933 1.00 0.00 C ATOM 1199 CD GLU A 76 -10.081 -19.918 8.094 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -10.469 -18.921 7.441 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -10.722 -20.995 8.086 1.00 0.00 O ATOM 0 H GLU A 76 -8.280 -19.232 12.598 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.729 -18.654 10.146 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.729 -18.805 10.586 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.068 -17.728 9.373 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.937 -19.678 8.275 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.635 -20.747 9.475 1.00 0.00 H new ATOM 1208 N SER A 77 -7.227 -16.110 10.440 1.00 0.00 N ATOM 1209 CA SER A 77 -7.464 -14.687 10.612 1.00 0.00 C ATOM 1210 C SER A 77 -8.020 -14.164 9.285 1.00 0.00 C ATOM 1211 O SER A 77 -7.680 -14.678 8.215 1.00 0.00 O ATOM 1212 CB SER A 77 -6.169 -13.944 10.985 1.00 0.00 C ATOM 1213 OG SER A 77 -5.302 -14.692 11.829 1.00 0.00 O ATOM 0 H SER A 77 -6.773 -16.330 9.554 1.00 0.00 H new ATOM 0 HA SER A 77 -8.168 -14.517 11.427 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.635 -13.682 10.071 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.428 -13.009 11.482 1.00 0.00 H new ATOM 0 HG SER A 77 -5.035 -14.141 12.594 1.00 0.00 H new ATOM 1219 N ARG A 78 -8.841 -13.112 9.346 1.00 0.00 N ATOM 1220 CA ARG A 78 -9.378 -12.415 8.169 1.00 0.00 C ATOM 1221 C ARG A 78 -8.838 -10.979 8.132 1.00 0.00 C ATOM 1222 O ARG A 78 -9.466 -10.071 7.585 1.00 0.00 O ATOM 1223 CB ARG A 78 -10.918 -12.532 8.142 1.00 0.00 C ATOM 1224 CG ARG A 78 -11.449 -13.982 8.130 1.00 0.00 C ATOM 1225 CD ARG A 78 -10.975 -14.787 6.908 1.00 0.00 C ATOM 1226 NE ARG A 78 -11.459 -16.179 6.921 1.00 0.00 N ATOM 1227 CZ ARG A 78 -12.624 -16.631 6.446 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -13.552 -15.801 5.972 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -12.834 -17.939 6.457 1.00 0.00 N ATOM 0 H ARG A 78 -9.158 -12.712 10.229 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.038 -12.884 7.246 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.324 -12.017 9.012 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.294 -12.013 7.260 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.126 -14.489 9.039 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.539 -13.964 8.145 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.320 -14.295 5.998 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.885 -14.786 6.878 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.838 -16.873 7.338 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.382 -14.795 5.966 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.433 -16.171 5.615 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.118 -18.568 6.821 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.712 -18.318 6.102 1.00 0.00 H new ATOM 1243 N SER A 79 -7.651 -10.804 8.713 1.00 0.00 N ATOM 1244 CA SER A 79 -6.767 -9.653 8.637 1.00 0.00 C ATOM 1245 C SER A 79 -5.356 -10.233 8.445 1.00 0.00 C ATOM 1246 O SER A 79 -5.167 -11.448 8.580 1.00 0.00 O ATOM 1247 CB SER A 79 -6.872 -8.820 9.923 1.00 0.00 C ATOM 1248 OG SER A 79 -8.208 -8.404 10.173 1.00 0.00 O ATOM 0 H SER A 79 -7.252 -11.535 9.302 1.00 0.00 H new ATOM 0 HA SER A 79 -7.025 -8.982 7.818 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.510 -9.407 10.767 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.227 -7.945 9.843 1.00 0.00 H new ATOM 0 HG SER A 79 -8.238 -7.878 10.999 1.00 0.00 H new ATOM 1254 N LEU A 80 -4.372 -9.394 8.117 1.00 0.00 N ATOM 1255 CA LEU A 80 -3.059 -9.830 7.647 1.00 0.00 C ATOM 1256 C LEU A 80 -1.982 -9.159 8.494 1.00 0.00 C ATOM 1257 O LEU A 80 -2.011 -7.936 8.657 1.00 0.00 O ATOM 1258 CB LEU A 80 -2.890 -9.429 6.167 1.00 0.00 C ATOM 1259 CG LEU A 80 -3.840 -10.118 5.167 1.00 0.00 C ATOM 1260 CD1 LEU A 80 -3.526 -9.629 3.749 1.00 0.00 C ATOM 1261 CD2 LEU A 80 -3.759 -11.648 5.207 1.00 0.00 C ATOM 0 H LEU A 80 -4.467 -8.380 8.172 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.969 -10.913 7.737 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.028 -8.351 6.085 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.864 -9.642 5.868 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.855 -9.848 5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.196 -10.115 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.664 -8.549 3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.494 -9.875 3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.453 -12.068 4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.744 -11.965 4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.022 -12.000 6.204 1.00 0.00 H new ATOM 1273 N GLU A 81 -1.029 -9.930 9.025 1.00 0.00 N ATOM 1274 CA GLU A 81 0.124 -9.371 9.729 1.00 0.00 C ATOM 1275 C GLU A 81 1.085 -8.685 8.744 1.00 0.00 C ATOM 1276 O GLU A 81 1.794 -7.754 9.128 1.00 0.00 O ATOM 1277 CB GLU A 81 0.877 -10.428 10.559 1.00 0.00 C ATOM 1278 CG GLU A 81 0.038 -11.249 11.553 1.00 0.00 C ATOM 1279 CD GLU A 81 -1.047 -10.441 12.286 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -0.708 -9.511 13.053 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -2.247 -10.762 12.128 1.00 0.00 O ATOM 0 H GLU A 81 -1.036 -10.949 8.979 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.264 -8.628 10.426 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.362 -11.120 9.870 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.668 -9.924 11.115 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.437 -12.070 11.017 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.704 -11.694 12.292 1.00 0.00 H new ATOM 1288 N GLY A 82 1.080 -9.097 7.472 1.00 0.00 N ATOM 1289 CA GLY A 82 1.798 -8.437 6.394 1.00 0.00 C ATOM 1290 C GLY A 82 3.223 -8.959 6.222 1.00 0.00 C ATOM 1291 O GLY A 82 4.093 -8.193 5.797 1.00 0.00 O ATOM 0 H GLY A 82 0.562 -9.920 7.163 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.251 -8.575 5.462 1.00 0.00 H new ATOM 0 HA3 GLY A 82 1.830 -7.365 6.589 1.00 0.00 H new ATOM 1295 N HIS A 83 3.499 -10.225 6.557 1.00 0.00 N ATOM 1296 CA HIS A 83 4.788 -10.832 6.244 1.00 0.00 C ATOM 1297 C HIS A 83 5.015 -10.805 4.723 1.00 0.00 C ATOM 1298 O HIS A 83 4.059 -10.888 3.945 1.00 0.00 O ATOM 1299 CB HIS A 83 4.837 -12.276 6.760 1.00 0.00 C ATOM 1300 CG HIS A 83 4.767 -12.427 8.258 1.00 0.00 C ATOM 1301 ND1 HIS A 83 3.617 -12.500 9.004 1.00 0.00 N ATOM 1302 CD2 HIS A 83 5.817 -12.610 9.118 1.00 0.00 C ATOM 1303 CE1 HIS A 83 3.958 -12.708 10.285 1.00 0.00 C ATOM 1304 NE2 HIS A 83 5.296 -12.781 10.408 1.00 0.00 N ATOM 0 H HIS A 83 2.848 -10.842 7.042 1.00 0.00 H new ATOM 0 HA HIS A 83 5.577 -10.263 6.735 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.011 -12.831 6.316 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.758 -12.739 6.407 1.00 0.00 H new ATOM 0 HD1 HIS A 83 2.666 -12.411 8.646 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.863 -12.621 8.849 1.00 0.00 H new ATOM 0 HE1 HIS A 83 3.258 -12.803 11.102 1.00 0.00 H new ATOM 0 HE2 HIS A 83 5.825 -12.931 11.267 1.00 0.00 H new ATOM 1312 N HIS A 84 6.284 -10.748 4.303 1.00 0.00 N ATOM 1313 CA HIS A 84 6.692 -10.754 2.891 1.00 0.00 C ATOM 1314 C HIS A 84 7.735 -11.849 2.589 1.00 0.00 C ATOM 1315 O HIS A 84 8.049 -12.096 1.424 1.00 0.00 O ATOM 1316 CB HIS A 84 7.208 -9.357 2.498 1.00 0.00 C ATOM 1317 CG HIS A 84 6.120 -8.331 2.260 1.00 0.00 C ATOM 1318 ND1 HIS A 84 5.259 -7.784 3.190 1.00 0.00 N ATOM 1319 CD2 HIS A 84 5.816 -7.756 1.054 1.00 0.00 C ATOM 1320 CE1 HIS A 84 4.456 -6.913 2.557 1.00 0.00 C ATOM 1321 NE2 HIS A 84 4.759 -6.856 1.246 1.00 0.00 N ATOM 0 H HIS A 84 7.073 -10.695 4.947 1.00 0.00 H new ATOM 0 HA HIS A 84 5.819 -10.993 2.284 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.868 -8.992 3.285 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.810 -9.447 1.594 1.00 0.00 H new ATOM 0 HD1 HIS A 84 5.236 -8.003 4.186 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.308 -7.962 0.115 1.00 0.00 H new ATOM 0 HE1 HIS A 84 3.676 -6.338 3.033 1.00 0.00 H new ATOM 1329 N ARG A 85 8.241 -12.541 3.615 1.00 0.00 N ATOM 1330 CA ARG A 85 9.094 -13.731 3.541 1.00 0.00 C ATOM 1331 C ARG A 85 8.649 -14.662 4.670 1.00 0.00 C ATOM 1332 O ARG A 85 7.691 -14.337 5.380 1.00 0.00 O ATOM 1333 CB ARG A 85 10.584 -13.341 3.676 1.00 0.00 C ATOM 1334 CG ARG A 85 11.184 -12.631 2.449 1.00 0.00 C ATOM 1335 CD ARG A 85 11.217 -13.510 1.188 1.00 0.00 C ATOM 1336 NE ARG A 85 12.089 -14.692 1.354 1.00 0.00 N ATOM 1337 CZ ARG A 85 11.844 -15.940 0.932 1.00 0.00 C ATOM 1338 NH1 ARG A 85 10.716 -16.271 0.315 1.00 0.00 N ATOM 1339 NH2 ARG A 85 12.734 -16.905 1.119 1.00 0.00 N ATOM 0 H ARG A 85 8.054 -12.268 4.580 1.00 0.00 H new ATOM 0 HA ARG A 85 8.994 -14.232 2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.697 -12.692 4.544 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.164 -14.243 3.875 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.605 -11.731 2.240 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.198 -12.309 2.685 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.205 -13.838 0.949 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.568 -12.917 0.343 1.00 0.00 H new ATOM 0 HE ARG A 85 12.972 -14.542 1.842 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.000 -15.564 0.148 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.566 -17.232 0.008 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.616 -16.701 1.588 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.536 -17.851 0.793 1.00 0.00 H new ATOM 1353 N PHE A 86 9.305 -15.811 4.840 1.00 0.00 N ATOM 1354 CA PHE A 86 8.943 -16.771 5.868 1.00 0.00 C ATOM 1355 C PHE A 86 10.109 -16.925 6.839 1.00 0.00 C ATOM 1356 O PHE A 86 11.223 -17.247 6.415 1.00 0.00 O ATOM 1357 CB PHE A 86 8.523 -18.096 5.228 1.00 0.00 C ATOM 1358 CG PHE A 86 7.572 -18.840 6.136 1.00 0.00 C ATOM 1359 CD1 PHE A 86 8.054 -19.554 7.248 1.00 0.00 C ATOM 1360 CD2 PHE A 86 6.185 -18.715 5.930 1.00 0.00 C ATOM 1361 CE1 PHE A 86 7.146 -20.128 8.151 1.00 0.00 C ATOM 1362 CE2 PHE A 86 5.281 -19.284 6.838 1.00 0.00 C ATOM 1363 CZ PHE A 86 5.763 -19.982 7.955 1.00 0.00 C ATOM 0 H PHE A 86 10.099 -16.096 4.267 1.00 0.00 H new ATOM 0 HA PHE A 86 8.084 -16.416 6.437 1.00 0.00 H new ATOM 0 HB2 PHE A 86 8.046 -17.908 4.266 1.00 0.00 H new ATOM 0 HB3 PHE A 86 9.403 -18.708 5.032 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.117 -19.660 7.406 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.816 -18.178 5.069 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.513 -20.685 9.001 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.217 -19.185 6.678 1.00 0.00 H new ATOM 0 HZ PHE A 86 5.070 -20.408 8.665 1.00 0.00 H new ATOM 1373 N SER A 87 9.861 -16.711 8.132 1.00 0.00 N ATOM 1374 CA SER A 87 10.918 -16.549 9.124 1.00 0.00 C ATOM 1375 C SER A 87 10.857 -17.653 10.178 1.00 0.00 C ATOM 1376 O SER A 87 9.785 -18.024 10.656 1.00 0.00 O ATOM 1377 CB SER A 87 10.776 -15.169 9.783 1.00 0.00 C ATOM 1378 OG SER A 87 10.720 -14.144 8.801 1.00 0.00 O ATOM 0 H SER A 87 8.919 -16.645 8.519 1.00 0.00 H new ATOM 0 HA SER A 87 11.886 -16.622 8.628 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.873 -15.144 10.393 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.618 -14.992 10.452 1.00 0.00 H new ATOM 0 HG SER A 87 10.628 -13.274 9.242 1.00 0.00 H new ATOM 1384 N ILE A 88 12.017 -18.162 10.577 1.00 0.00 N ATOM 1385 CA ILE A 88 12.142 -19.051 11.724 1.00 0.00 C ATOM 1386 C ILE A 88 12.375 -18.156 12.946 1.00 0.00 C ATOM 1387 O ILE A 88 13.145 -17.193 12.879 1.00 0.00 O ATOM 1388 CB ILE A 88 13.279 -20.061 11.455 1.00 0.00 C ATOM 1389 CG1 ILE A 88 12.864 -20.992 10.288 1.00 0.00 C ATOM 1390 CG2 ILE A 88 13.611 -20.882 12.713 1.00 0.00 C ATOM 1391 CD1 ILE A 88 14.042 -21.735 9.663 1.00 0.00 C ATOM 0 H ILE A 88 12.903 -17.968 10.110 1.00 0.00 H new ATOM 0 HA ILE A 88 11.251 -19.651 11.906 1.00 0.00 H new ATOM 0 HB ILE A 88 14.180 -19.512 11.182 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.137 -21.718 10.652 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.367 -20.401 9.519 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.415 -21.583 12.488 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.927 -20.211 13.512 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.727 -21.434 13.031 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.683 -22.369 8.852 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.759 -21.015 9.270 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.526 -22.352 10.420 1.00 0.00 H new ATOM 1403 N VAL A 89 11.712 -18.474 14.055 1.00 0.00 N ATOM 1404 CA VAL A 89 11.691 -17.686 15.279 1.00 0.00 C ATOM 1405 C VAL A 89 11.939 -18.649 16.446 1.00 0.00 C ATOM 1406 O VAL A 89 11.485 -19.795 16.433 1.00 0.00 O ATOM 1407 CB VAL A 89 10.335 -16.938 15.368 1.00 0.00 C ATOM 1408 CG1 VAL A 89 10.164 -16.178 16.693 1.00 0.00 C ATOM 1409 CG2 VAL A 89 10.166 -15.931 14.216 1.00 0.00 C ATOM 0 H VAL A 89 11.152 -19.324 14.126 1.00 0.00 H new ATOM 0 HA VAL A 89 12.468 -16.922 15.304 1.00 0.00 H new ATOM 0 HB VAL A 89 9.573 -17.715 15.302 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.198 -15.673 16.701 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.213 -16.881 17.525 1.00 0.00 H new ATOM 0 HG13 VAL A 89 10.960 -15.440 16.794 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.205 -15.426 14.312 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.968 -15.194 14.256 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.205 -16.458 13.263 1.00 0.00 H new