USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 666 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 69 SER OG : rot -89:sc= 0.703 USER MOD Set 1.2: A 71 THR OG1 : rot 24:sc= 0.282! USER MOD Set 2.1: A 38 THR OG1 : rot -73:sc= 0.408 USER MOD Set 2.2: A 58 GLN : amide:sc= -0.79! C(o=-0.38!,f=-3.6!) USER MOD Set 3.1: A 16 GLN :FLIP amide:sc= -0.0956 F(o=-3.4,f=-1.8) USER MOD Set 3.2: A 81 MET CE :methyl 136:sc= -1.75 (180deg=-4.12!) USER MOD Single : A 1 MET CE :methyl -159:sc= -0.344 (180deg=-1.51) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.00786) USER MOD Single : A 2 ASN :FLIP amide:sc= -1.59 F(o=-2.4,f=-1.6) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0.58 K(o=0.58,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0526 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.314 X(o=0.31,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot -91:sc= -0.791! USER MOD Single : A 37 SER OG : rot 180:sc= -0.308 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.355 X(o=-0.35,f=-0.021) USER MOD Single : A 51 ASN : amide:sc= -0.205 X(o=-0.21,f=-0.29) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.492 USER MOD Single : A 60 MET CE :methyl -143:sc= -0.111 (180deg=-0.789) USER MOD Single : A 80 MET CE :methyl -109:sc= -1.2 (180deg=-4.47!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.426 3.613 10.012 1.00 0.00 N ATOM 2 CA MET A 1 -10.271 3.991 8.839 1.00 0.00 C ATOM 3 C MET A 1 -9.528 3.680 7.537 1.00 0.00 C ATOM 4 O MET A 1 -10.097 3.078 6.625 1.00 0.00 O ATOM 5 CB MET A 1 -10.596 5.489 8.899 1.00 0.00 C ATOM 6 CG MET A 1 -11.906 5.762 8.155 1.00 0.00 C ATOM 7 SD MET A 1 -12.243 7.542 8.154 1.00 0.00 S ATOM 8 CE MET A 1 -11.539 7.910 6.528 1.00 0.00 C ATOM 0 H1 MET A 1 -9.957 3.780 10.891 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.172 2.607 9.947 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.560 4.189 10.016 1.00 0.00 H new ATOM 0 HA MET A 1 -11.197 3.417 8.868 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.682 5.811 9.937 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.786 6.065 8.452 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.838 5.394 7.131 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.726 5.226 8.633 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.298 8.971 6.468 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.632 7.323 6.383 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.263 7.658 5.753 1.00 0.00 H new ATOM 20 N ASN A 2 -8.253 4.107 7.469 1.00 0.00 N ATOM 21 CA ASN A 2 -7.397 3.892 6.284 1.00 0.00 C ATOM 22 C ASN A 2 -8.167 4.089 4.967 1.00 0.00 C ATOM 23 O ASN A 2 -7.903 3.416 3.969 1.00 0.00 O ATOM 24 CB ASN A 2 -6.749 2.494 6.312 1.00 0.00 C ATOM 25 CG ASN A 2 -7.817 1.401 6.247 1.00 0.00 C ATOM 26 OD1 ASN A 2 -8.416 1.026 7.343 1.00 0.00 O flip ATOM 27 ND2 ASN A 2 -8.111 0.873 5.176 1.00 0.00 N flip ATOM 0 H ASN A 2 -7.789 4.607 8.227 1.00 0.00 H new ATOM 0 HA ASN A 2 -6.612 4.647 6.327 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -6.063 2.389 5.472 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -6.159 2.379 7.221 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -7.643 1.165 4.318 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.823 0.143 5.146 1.00 0.00 H new ATOM 34 N ASP A 3 -9.113 5.032 4.979 1.00 0.00 N ATOM 35 CA ASP A 3 -9.912 5.327 3.786 1.00 0.00 C ATOM 36 C ASP A 3 -9.505 6.677 3.178 1.00 0.00 C ATOM 37 O ASP A 3 -10.293 7.322 2.481 1.00 0.00 O ATOM 38 CB ASP A 3 -11.404 5.364 4.148 1.00 0.00 C ATOM 39 CG ASP A 3 -12.067 4.031 3.795 1.00 0.00 C ATOM 40 OD1 ASP A 3 -11.504 2.997 4.122 1.00 0.00 O ATOM 41 OD2 ASP A 3 -13.135 4.066 3.210 1.00 0.00 O ATOM 0 H ASP A 3 -9.343 5.600 5.794 1.00 0.00 H new ATOM 0 HA ASP A 3 -9.731 4.540 3.054 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.522 5.567 5.212 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.896 6.176 3.612 1.00 0.00 H new ATOM 46 N ILE A 4 -8.262 7.095 3.445 1.00 0.00 N ATOM 47 CA ILE A 4 -7.760 8.369 2.921 1.00 0.00 C ATOM 48 C ILE A 4 -7.261 8.214 1.481 1.00 0.00 C ATOM 49 O ILE A 4 -7.406 9.126 0.666 1.00 0.00 O ATOM 50 CB ILE A 4 -6.627 8.921 3.804 1.00 0.00 C ATOM 51 CG1 ILE A 4 -5.484 7.898 3.915 1.00 0.00 C ATOM 52 CG2 ILE A 4 -7.173 9.220 5.203 1.00 0.00 C ATOM 53 CD1 ILE A 4 -4.350 8.294 2.968 1.00 0.00 C ATOM 0 H ILE A 4 -7.593 6.576 4.014 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.591 9.075 2.931 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.242 9.834 3.350 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.117 7.856 4.941 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.848 6.901 3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.372 9.611 5.830 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.972 9.958 5.132 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.565 8.303 5.644 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.540 7.569 3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.721 8.313 1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.979 9.283 3.238 1.00 0.00 H new ATOM 65 N TYR A 5 -6.682 7.048 1.176 1.00 0.00 N ATOM 66 CA TYR A 5 -6.174 6.780 -0.175 1.00 0.00 C ATOM 67 C TYR A 5 -7.325 6.687 -1.179 1.00 0.00 C ATOM 68 O TYR A 5 -7.166 7.034 -2.351 1.00 0.00 O ATOM 69 CB TYR A 5 -5.379 5.470 -0.208 1.00 0.00 C ATOM 70 CG TYR A 5 -4.179 5.583 0.701 1.00 0.00 C ATOM 71 CD1 TYR A 5 -3.095 6.392 0.335 1.00 0.00 C ATOM 72 CD2 TYR A 5 -4.152 4.882 1.912 1.00 0.00 C ATOM 73 CE1 TYR A 5 -1.986 6.499 1.181 1.00 0.00 C ATOM 74 CE2 TYR A 5 -3.042 4.989 2.758 1.00 0.00 C ATOM 75 CZ TYR A 5 -1.959 5.798 2.394 1.00 0.00 C ATOM 76 OH TYR A 5 -0.866 5.904 3.229 1.00 0.00 O ATOM 0 H TYR A 5 -6.554 6.282 1.837 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.520 7.608 -0.449 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -6.011 4.641 0.109 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -5.057 5.254 -1.227 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.116 6.933 -0.600 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -4.988 4.258 2.194 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.150 7.122 0.899 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.021 4.447 3.692 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.010 5.355 4.028 1.00 0.00 H new ATOM 86 N LYS A 6 -8.487 6.220 -0.703 1.00 0.00 N ATOM 87 CA LYS A 6 -9.668 6.090 -1.563 1.00 0.00 C ATOM 88 C LYS A 6 -10.135 7.462 -2.060 1.00 0.00 C ATOM 89 O LYS A 6 -10.643 7.587 -3.175 1.00 0.00 O ATOM 90 CB LYS A 6 -10.814 5.413 -0.807 1.00 0.00 C ATOM 91 CG LYS A 6 -10.786 3.907 -1.085 1.00 0.00 C ATOM 92 CD LYS A 6 -12.192 3.327 -0.919 1.00 0.00 C ATOM 93 CE LYS A 6 -12.368 2.811 0.512 1.00 0.00 C ATOM 94 NZ LYS A 6 -12.081 1.349 0.557 1.00 0.00 N ATOM 0 H LYS A 6 -8.633 5.929 0.264 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.387 5.476 -2.419 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.718 5.598 0.263 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.770 5.834 -1.119 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.422 3.720 -2.095 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.095 3.414 -0.401 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.939 4.090 -1.136 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.349 2.516 -1.631 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.698 3.344 1.186 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.384 3.003 0.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.201 1.001 1.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.738 0.847 -0.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.103 1.177 0.246 1.00 0.00 H new ATOM 108 N ALA A 7 -9.952 8.491 -1.225 1.00 0.00 N ATOM 109 CA ALA A 7 -10.351 9.851 -1.597 1.00 0.00 C ATOM 110 C ALA A 7 -9.524 10.357 -2.786 1.00 0.00 C ATOM 111 O ALA A 7 -10.009 11.156 -3.588 1.00 0.00 O ATOM 112 CB ALA A 7 -10.163 10.806 -0.417 1.00 0.00 C ATOM 0 H ALA A 7 -9.535 8.409 -0.298 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.403 9.822 -1.879 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.464 11.811 -0.711 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.776 10.474 0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.115 10.814 -0.119 1.00 0.00 H new ATOM 118 N ALA A 8 -8.274 9.881 -2.893 1.00 0.00 N ATOM 119 CA ALA A 8 -7.393 10.292 -3.989 1.00 0.00 C ATOM 120 C ALA A 8 -7.797 9.601 -5.291 1.00 0.00 C ATOM 121 O ALA A 8 -7.894 10.243 -6.339 1.00 0.00 O ATOM 122 CB ALA A 8 -5.937 9.952 -3.668 1.00 0.00 C ATOM 0 H ALA A 8 -7.857 9.218 -2.240 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.491 11.371 -4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.299 10.265 -4.495 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.634 10.471 -2.759 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.838 8.876 -3.521 1.00 0.00 H new ATOM 128 N VAL A 9 -8.047 8.288 -5.212 1.00 0.00 N ATOM 129 CA VAL A 9 -8.459 7.525 -6.393 1.00 0.00 C ATOM 130 C VAL A 9 -9.859 7.966 -6.855 1.00 0.00 C ATOM 131 O VAL A 9 -10.230 7.780 -8.015 1.00 0.00 O ATOM 132 CB VAL A 9 -8.448 6.017 -6.091 1.00 0.00 C ATOM 133 CG1 VAL A 9 -9.602 5.650 -5.154 1.00 0.00 C ATOM 134 CG2 VAL A 9 -8.580 5.227 -7.397 1.00 0.00 C ATOM 0 H VAL A 9 -7.972 7.740 -4.355 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.749 7.723 -7.196 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.505 5.766 -5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.579 4.579 -4.951 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.500 6.199 -4.218 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.550 5.910 -5.625 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.572 4.159 -7.179 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.517 5.490 -7.888 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.745 5.469 -8.055 1.00 0.00 H new ATOM 144 N GLU A 10 -10.625 8.565 -5.935 1.00 0.00 N ATOM 145 CA GLU A 10 -11.968 9.046 -6.256 1.00 0.00 C ATOM 146 C GLU A 10 -11.921 10.429 -6.925 1.00 0.00 C ATOM 147 O GLU A 10 -12.894 10.849 -7.556 1.00 0.00 O ATOM 148 CB GLU A 10 -12.819 9.146 -4.983 1.00 0.00 C ATOM 149 CG GLU A 10 -13.589 7.838 -4.777 1.00 0.00 C ATOM 150 CD GLU A 10 -14.157 7.796 -3.362 1.00 0.00 C ATOM 151 OE1 GLU A 10 -13.447 7.357 -2.471 1.00 0.00 O ATOM 152 OE2 GLU A 10 -15.295 8.200 -3.188 1.00 0.00 O ATOM 0 H GLU A 10 -10.338 8.726 -4.970 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.412 8.330 -6.947 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.181 9.344 -4.122 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.515 9.981 -5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.396 7.760 -5.506 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.929 6.986 -4.940 1.00 0.00 H new ATOM 159 N GLN A 11 -10.794 11.145 -6.768 1.00 0.00 N ATOM 160 CA GLN A 11 -10.664 12.488 -7.350 1.00 0.00 C ATOM 161 C GLN A 11 -9.565 12.567 -8.427 1.00 0.00 C ATOM 162 O GLN A 11 -9.183 13.664 -8.842 1.00 0.00 O ATOM 163 CB GLN A 11 -10.367 13.514 -6.247 1.00 0.00 C ATOM 164 CG GLN A 11 -8.966 13.277 -5.666 1.00 0.00 C ATOM 165 CD GLN A 11 -8.734 14.225 -4.493 1.00 0.00 C ATOM 166 OE1 GLN A 11 -8.072 15.251 -4.639 1.00 0.00 O ATOM 167 NE2 GLN A 11 -9.244 13.940 -3.323 1.00 0.00 N ATOM 0 H GLN A 11 -9.975 10.822 -6.253 1.00 0.00 H new ATOM 0 HA GLN A 11 -11.615 12.714 -7.833 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.435 14.524 -6.652 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.114 13.436 -5.457 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -8.868 12.243 -5.336 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.210 13.440 -6.434 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.793 13.090 -3.200 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.092 14.568 -2.534 1.00 0.00 H new ATOM 176 N LEU A 12 -9.068 11.412 -8.890 1.00 0.00 N ATOM 177 CA LEU A 12 -8.025 11.408 -9.929 1.00 0.00 C ATOM 178 C LEU A 12 -8.644 11.645 -11.310 1.00 0.00 C ATOM 179 O LEU A 12 -9.865 11.756 -11.447 1.00 0.00 O ATOM 180 CB LEU A 12 -7.245 10.083 -9.946 1.00 0.00 C ATOM 181 CG LEU A 12 -8.056 8.809 -9.684 1.00 0.00 C ATOM 182 CD1 LEU A 12 -9.249 8.739 -10.642 1.00 0.00 C ATOM 183 CD2 LEU A 12 -7.161 7.587 -9.900 1.00 0.00 C ATOM 0 H LEU A 12 -9.361 10.488 -8.572 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.332 12.215 -9.692 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.760 9.985 -10.917 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.454 10.143 -9.199 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.423 8.823 -8.658 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.819 7.830 -10.448 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.889 9.608 -10.490 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.889 8.729 -11.671 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.734 6.679 -9.715 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.794 7.581 -10.926 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.316 7.629 -9.213 1.00 0.00 H new ATOM 195 N THR A 13 -7.788 11.724 -12.334 1.00 0.00 N ATOM 196 CA THR A 13 -8.265 11.950 -13.701 1.00 0.00 C ATOM 197 C THR A 13 -8.459 10.627 -14.433 1.00 0.00 C ATOM 198 O THR A 13 -7.966 9.580 -14.004 1.00 0.00 O ATOM 199 CB THR A 13 -7.269 12.802 -14.503 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.974 12.707 -13.928 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.726 14.261 -14.508 1.00 0.00 C ATOM 0 H THR A 13 -6.776 11.636 -12.245 1.00 0.00 H new ATOM 0 HA THR A 13 -9.217 12.476 -13.623 1.00 0.00 H new ATOM 0 HB THR A 13 -7.230 12.433 -15.528 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.345 13.252 -14.446 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.017 14.862 -15.078 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.712 14.332 -14.966 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.774 14.631 -13.484 1.00 0.00 H new ATOM 209 N ASP A 14 -9.163 10.698 -15.563 1.00 0.00 N ATOM 210 CA ASP A 14 -9.400 9.511 -16.385 1.00 0.00 C ATOM 211 C ASP A 14 -8.093 9.061 -17.034 1.00 0.00 C ATOM 212 O ASP A 14 -7.869 7.868 -17.245 1.00 0.00 O ATOM 213 CB ASP A 14 -10.425 9.808 -17.482 1.00 0.00 C ATOM 214 CG ASP A 14 -11.836 9.730 -16.904 1.00 0.00 C ATOM 215 OD1 ASP A 14 -12.281 8.629 -16.621 1.00 0.00 O ATOM 216 OD2 ASP A 14 -12.450 10.774 -16.753 1.00 0.00 O ATOM 0 H ASP A 14 -9.576 11.556 -15.928 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.787 8.721 -15.741 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.247 10.799 -17.900 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.316 9.093 -18.298 1.00 0.00 H new ATOM 221 N GLU A 15 -7.226 10.037 -17.331 1.00 0.00 N ATOM 222 CA GLU A 15 -5.925 9.747 -17.941 1.00 0.00 C ATOM 223 C GLU A 15 -5.027 9.012 -16.943 1.00 0.00 C ATOM 224 O GLU A 15 -4.206 8.180 -17.330 1.00 0.00 O ATOM 225 CB GLU A 15 -5.232 11.042 -18.382 1.00 0.00 C ATOM 226 CG GLU A 15 -5.916 11.592 -19.639 1.00 0.00 C ATOM 227 CD GLU A 15 -7.034 12.554 -19.239 1.00 0.00 C ATOM 228 OE1 GLU A 15 -6.732 13.706 -18.974 1.00 0.00 O ATOM 229 OE2 GLU A 15 -8.175 12.123 -19.201 1.00 0.00 O ATOM 0 H GLU A 15 -7.401 11.027 -17.160 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.094 9.118 -18.815 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.275 11.780 -17.581 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.178 10.851 -18.584 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.187 12.107 -20.265 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.323 10.772 -20.231 1.00 0.00 H new ATOM 236 N GLN A 16 -5.207 9.319 -15.650 1.00 0.00 N ATOM 237 CA GLN A 16 -4.425 8.671 -14.596 1.00 0.00 C ATOM 238 C GLN A 16 -4.812 7.198 -14.493 1.00 0.00 C ATOM 239 O GLN A 16 -3.951 6.322 -14.397 1.00 0.00 O ATOM 240 CB GLN A 16 -4.673 9.350 -13.245 1.00 0.00 C ATOM 241 CG GLN A 16 -3.406 10.083 -12.801 1.00 0.00 C ATOM 242 CD GLN A 16 -3.784 11.311 -11.977 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.456 11.157 -10.867 1.00 0.00 O flip ATOM 244 NE2 GLN A 16 -3.462 12.439 -12.348 1.00 0.00 N flip ATOM 0 H GLN A 16 -5.882 10.006 -15.315 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.369 8.759 -14.851 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.503 10.052 -13.326 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.956 8.607 -12.499 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.777 9.417 -12.211 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.824 10.383 -13.672 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.937 12.561 -13.214 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.720 13.253 -11.789 1.00 0.00 H new ATOM 253 N LYS A 17 -6.124 6.941 -14.536 1.00 0.00 N ATOM 254 CA LYS A 17 -6.632 5.570 -14.470 1.00 0.00 C ATOM 255 C LYS A 17 -6.177 4.787 -15.700 1.00 0.00 C ATOM 256 O LYS A 17 -5.732 3.646 -15.595 1.00 0.00 O ATOM 257 CB LYS A 17 -8.165 5.556 -14.413 1.00 0.00 C ATOM 258 CG LYS A 17 -8.648 6.256 -13.138 1.00 0.00 C ATOM 259 CD LYS A 17 -10.066 6.791 -13.354 1.00 0.00 C ATOM 260 CE LYS A 17 -11.088 5.684 -13.073 1.00 0.00 C ATOM 261 NZ LYS A 17 -12.032 5.567 -14.221 1.00 0.00 N ATOM 0 H LYS A 17 -6.845 7.658 -14.615 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.238 5.108 -13.565 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.574 6.057 -15.290 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.529 4.529 -14.434 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.635 5.559 -12.300 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.974 7.074 -12.882 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.248 7.641 -12.697 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.177 7.150 -14.377 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.576 4.735 -12.913 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.638 5.907 -12.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.724 4.815 -14.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.531 6.470 -14.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.501 5.334 -15.085 1.00 0.00 H new ATOM 275 N ASN A 18 -6.287 5.428 -16.871 1.00 0.00 N ATOM 276 CA ASN A 18 -5.879 4.797 -18.130 1.00 0.00 C ATOM 277 C ASN A 18 -4.368 4.553 -18.158 1.00 0.00 C ATOM 278 O ASN A 18 -3.904 3.578 -18.753 1.00 0.00 O ATOM 279 CB ASN A 18 -6.265 5.677 -19.323 1.00 0.00 C ATOM 280 CG ASN A 18 -7.634 5.254 -19.848 1.00 0.00 C ATOM 281 OD1 ASN A 18 -7.729 4.460 -20.783 1.00 0.00 O ATOM 282 ND2 ASN A 18 -8.713 5.741 -19.295 1.00 0.00 N ATOM 0 H ASN A 18 -6.652 6.375 -16.971 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.396 3.840 -18.200 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.287 6.725 -19.023 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.518 5.587 -20.112 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.632 5.463 -19.639 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.636 6.399 -18.520 1.00 0.00 H new ATOM 289 N GLU A 19 -3.609 5.444 -17.509 1.00 0.00 N ATOM 290 CA GLU A 19 -2.149 5.313 -17.461 1.00 0.00 C ATOM 291 C GLU A 19 -1.753 3.947 -16.899 1.00 0.00 C ATOM 292 O GLU A 19 -0.936 3.233 -17.485 1.00 0.00 O ATOM 293 CB GLU A 19 -1.540 6.413 -16.583 1.00 0.00 C ATOM 294 CG GLU A 19 -0.018 6.423 -16.753 1.00 0.00 C ATOM 295 CD GLU A 19 0.540 7.769 -16.300 1.00 0.00 C ATOM 296 OE1 GLU A 19 0.453 8.714 -17.068 1.00 0.00 O ATOM 297 OE2 GLU A 19 1.049 7.834 -15.193 1.00 0.00 O ATOM 0 H GLU A 19 -3.978 6.256 -17.014 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.769 5.410 -18.478 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.953 7.383 -16.859 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.798 6.243 -15.538 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.428 5.618 -16.169 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.243 6.243 -17.796 1.00 0.00 H new ATOM 304 N PHE A 20 -2.351 3.592 -15.759 1.00 0.00 N ATOM 305 CA PHE A 20 -2.068 2.310 -15.117 1.00 0.00 C ATOM 306 C PHE A 20 -2.821 1.180 -15.815 1.00 0.00 C ATOM 307 O PHE A 20 -2.249 0.133 -16.105 1.00 0.00 O ATOM 308 CB PHE A 20 -2.490 2.338 -13.648 1.00 0.00 C ATOM 309 CG PHE A 20 -1.410 2.987 -12.816 1.00 0.00 C ATOM 310 CD1 PHE A 20 -1.428 4.371 -12.602 1.00 0.00 C ATOM 311 CD2 PHE A 20 -0.396 2.205 -12.252 1.00 0.00 C ATOM 312 CE1 PHE A 20 -0.434 4.972 -11.826 1.00 0.00 C ATOM 313 CE2 PHE A 20 0.600 2.803 -11.474 1.00 0.00 C ATOM 314 CZ PHE A 20 0.580 4.187 -11.258 1.00 0.00 C ATOM 0 H PHE A 20 -3.030 4.172 -15.266 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.994 2.137 -15.189 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.425 2.888 -13.539 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.674 1.324 -13.294 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.211 4.974 -13.037 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.383 1.138 -12.418 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.446 6.040 -11.664 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.383 2.199 -11.040 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.346 4.650 -10.654 1.00 0.00 H new ATOM 324 N LYS A 21 -4.116 1.408 -16.074 1.00 0.00 N ATOM 325 CA LYS A 21 -4.957 0.400 -16.730 1.00 0.00 C ATOM 326 C LYS A 21 -4.315 -0.115 -18.024 1.00 0.00 C ATOM 327 O LYS A 21 -4.453 -1.290 -18.361 1.00 0.00 O ATOM 328 CB LYS A 21 -6.342 0.977 -17.043 1.00 0.00 C ATOM 329 CG LYS A 21 -7.317 -0.158 -17.370 1.00 0.00 C ATOM 330 CD LYS A 21 -7.672 -0.926 -16.093 1.00 0.00 C ATOM 331 CE LYS A 21 -8.478 -2.178 -16.452 1.00 0.00 C ATOM 332 NZ LYS A 21 -9.906 -1.811 -16.683 1.00 0.00 N ATOM 0 H LYS A 21 -4.600 2.275 -15.841 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.058 -0.437 -16.039 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.709 1.549 -16.191 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.277 1.666 -17.885 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.221 0.247 -17.824 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.870 -0.834 -18.099 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.763 -1.207 -15.561 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.250 -0.289 -15.423 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.064 -2.644 -17.346 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.407 -2.911 -15.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.449 -2.664 -16.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.299 -1.385 -15.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.967 -1.128 -17.465 1.00 0.00 H new ATOM 346 N ALA A 22 -3.602 0.768 -18.736 1.00 0.00 N ATOM 347 CA ALA A 22 -2.931 0.372 -19.978 1.00 0.00 C ATOM 348 C ALA A 22 -1.953 -0.769 -19.696 1.00 0.00 C ATOM 349 O ALA A 22 -2.024 -1.832 -20.315 1.00 0.00 O ATOM 350 CB ALA A 22 -2.164 1.551 -20.581 1.00 0.00 C ATOM 0 H ALA A 22 -3.477 1.747 -18.477 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.691 0.045 -20.687 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.674 1.234 -21.502 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.858 2.363 -20.800 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.413 1.898 -19.871 1.00 0.00 H new ATOM 356 N ALA A 23 -1.060 -0.537 -18.728 1.00 0.00 N ATOM 357 CA ALA A 23 -0.085 -1.552 -18.329 1.00 0.00 C ATOM 358 C ALA A 23 -0.802 -2.722 -17.654 1.00 0.00 C ATOM 359 O ALA A 23 -0.413 -3.879 -17.803 1.00 0.00 O ATOM 360 CB ALA A 23 0.934 -0.962 -17.348 1.00 0.00 C ATOM 0 H ALA A 23 -0.994 0.339 -18.210 1.00 0.00 H new ATOM 0 HA ALA A 23 0.435 -1.899 -19.222 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.651 -1.731 -17.062 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.460 -0.134 -17.824 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.416 -0.600 -16.460 1.00 0.00 H new ATOM 366 N PHE A 24 -1.866 -2.399 -16.915 1.00 0.00 N ATOM 367 CA PHE A 24 -2.653 -3.414 -16.218 1.00 0.00 C ATOM 368 C PHE A 24 -3.220 -4.437 -17.208 1.00 0.00 C ATOM 369 O PHE A 24 -3.215 -5.635 -16.940 1.00 0.00 O ATOM 370 CB PHE A 24 -3.813 -2.754 -15.460 1.00 0.00 C ATOM 371 CG PHE A 24 -4.349 -3.696 -14.406 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.162 -4.773 -14.776 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.033 -3.491 -13.059 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.658 -5.643 -13.801 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.529 -4.361 -12.084 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.340 -5.436 -12.456 1.00 0.00 C ATOM 0 H PHE A 24 -2.200 -1.444 -16.785 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.996 -3.925 -15.514 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.473 -1.829 -14.993 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.607 -2.486 -16.157 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.406 -4.932 -15.816 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.405 -2.660 -12.772 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.286 -6.474 -14.087 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.285 -4.202 -11.044 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.722 -6.109 -11.702 1.00 0.00 H new ATOM 386 N ASP A 25 -3.712 -3.944 -18.349 1.00 0.00 N ATOM 387 CA ASP A 25 -4.298 -4.818 -19.372 1.00 0.00 C ATOM 388 C ASP A 25 -3.251 -5.739 -20.005 1.00 0.00 C ATOM 389 O ASP A 25 -3.495 -6.932 -20.180 1.00 0.00 O ATOM 390 CB ASP A 25 -4.957 -3.983 -20.477 1.00 0.00 C ATOM 391 CG ASP A 25 -6.406 -3.689 -20.098 1.00 0.00 C ATOM 392 OD1 ASP A 25 -7.221 -4.593 -20.197 1.00 0.00 O ATOM 393 OD2 ASP A 25 -6.680 -2.564 -19.716 1.00 0.00 O ATOM 0 H ASP A 25 -3.717 -2.952 -18.587 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.046 -5.434 -18.872 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.410 -3.050 -20.618 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.920 -4.520 -21.425 1.00 0.00 H new ATOM 398 N ILE A 26 -2.090 -5.175 -20.361 1.00 0.00 N ATOM 399 CA ILE A 26 -1.026 -5.972 -20.993 1.00 0.00 C ATOM 400 C ILE A 26 -0.470 -7.030 -20.031 1.00 0.00 C ATOM 401 O ILE A 26 -0.183 -8.156 -20.441 1.00 0.00 O ATOM 402 CB ILE A 26 0.123 -5.081 -21.497 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.644 -4.192 -20.360 1.00 0.00 C ATOM 404 CG2 ILE A 26 -0.384 -4.199 -22.641 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.870 -3.404 -20.827 1.00 0.00 C ATOM 0 H ILE A 26 -1.864 -4.190 -20.227 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.478 -6.477 -21.847 1.00 0.00 H new ATOM 0 HB ILE A 26 0.936 -5.716 -21.851 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.138 -3.505 -20.038 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.904 -4.806 -19.498 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.428 -3.567 -23.000 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.741 -4.829 -23.456 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.201 -3.572 -22.283 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.231 -2.777 -20.012 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.656 -4.097 -21.127 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.597 -2.776 -21.675 1.00 0.00 H new ATOM 417 N PHE A 27 -0.326 -6.665 -18.752 1.00 0.00 N ATOM 418 CA PHE A 27 0.194 -7.607 -17.752 1.00 0.00 C ATOM 419 C PHE A 27 -0.888 -8.613 -17.337 1.00 0.00 C ATOM 420 O PHE A 27 -0.586 -9.769 -17.036 1.00 0.00 O ATOM 421 CB PHE A 27 0.707 -6.864 -16.510 1.00 0.00 C ATOM 422 CG PHE A 27 1.939 -6.055 -16.871 1.00 0.00 C ATOM 423 CD1 PHE A 27 3.040 -6.676 -17.478 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.974 -4.683 -16.602 1.00 0.00 C ATOM 425 CE1 PHE A 27 4.170 -5.924 -17.816 1.00 0.00 C ATOM 426 CE2 PHE A 27 3.107 -3.931 -16.939 1.00 0.00 C ATOM 427 CZ PHE A 27 4.203 -4.551 -17.547 1.00 0.00 C ATOM 0 H PHE A 27 -0.557 -5.741 -18.388 1.00 0.00 H new ATOM 0 HA PHE A 27 1.025 -8.145 -18.209 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.070 -6.207 -16.121 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.946 -7.577 -15.721 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.016 -7.736 -17.685 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.127 -4.203 -16.134 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.017 -6.403 -18.285 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.134 -2.872 -16.729 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.075 -3.970 -17.809 1.00 0.00 H new ATOM 437 N ILE A 28 -2.153 -8.167 -17.339 1.00 0.00 N ATOM 438 CA ILE A 28 -3.273 -9.040 -16.979 1.00 0.00 C ATOM 439 C ILE A 28 -4.019 -9.487 -18.253 1.00 0.00 C ATOM 440 O ILE A 28 -5.241 -9.649 -18.279 1.00 0.00 O ATOM 441 CB ILE A 28 -4.207 -8.304 -15.989 1.00 0.00 C ATOM 442 CG1 ILE A 28 -4.814 -9.309 -14.998 1.00 0.00 C ATOM 443 CG2 ILE A 28 -5.322 -7.534 -16.715 1.00 0.00 C ATOM 444 CD1 ILE A 28 -5.854 -10.193 -15.690 1.00 0.00 C ATOM 0 H ILE A 28 -2.422 -7.214 -17.584 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.903 -9.937 -16.483 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.607 -7.574 -15.447 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.025 -9.931 -14.575 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.278 -8.774 -14.169 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.954 -7.032 -15.982 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.879 -6.793 -17.380 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.925 -8.230 -17.298 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.271 -10.897 -14.969 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.653 -9.569 -16.091 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.381 -10.744 -16.503 1.00 0.00 H new ATOM 456 N GLN A 29 -3.248 -9.698 -19.319 1.00 0.00 N ATOM 457 CA GLN A 29 -3.809 -10.130 -20.598 1.00 0.00 C ATOM 458 C GLN A 29 -4.091 -11.631 -20.574 1.00 0.00 C ATOM 459 O GLN A 29 -5.197 -12.073 -20.893 1.00 0.00 O ATOM 460 CB GLN A 29 -2.833 -9.816 -21.736 1.00 0.00 C ATOM 461 CG GLN A 29 -3.502 -10.095 -23.083 1.00 0.00 C ATOM 462 CD GLN A 29 -2.852 -9.237 -24.163 1.00 0.00 C ATOM 463 OE1 GLN A 29 -2.010 -9.717 -24.922 1.00 0.00 O ATOM 464 NE2 GLN A 29 -3.192 -7.980 -24.279 1.00 0.00 N ATOM 0 H GLN A 29 -2.235 -9.577 -19.322 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.742 -9.592 -20.763 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.522 -8.773 -21.683 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.933 -10.423 -21.634 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.406 -11.151 -23.336 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.568 -9.877 -23.023 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.889 -7.580 -23.651 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.760 -7.399 -24.997 1.00 0.00 H new ATOM 473 N ASP A 30 -3.074 -12.407 -20.192 1.00 0.00 N ATOM 474 CA ASP A 30 -3.211 -13.864 -20.126 1.00 0.00 C ATOM 475 C ASP A 30 -3.838 -14.318 -18.797 1.00 0.00 C ATOM 476 O ASP A 30 -4.047 -15.515 -18.587 1.00 0.00 O ATOM 477 CB ASP A 30 -1.838 -14.529 -20.283 1.00 0.00 C ATOM 478 CG ASP A 30 -1.991 -15.865 -21.007 1.00 0.00 C ATOM 479 OD1 ASP A 30 -2.149 -15.847 -22.217 1.00 0.00 O ATOM 480 OD2 ASP A 30 -1.946 -16.886 -20.340 1.00 0.00 O ATOM 0 H ASP A 30 -2.154 -12.055 -19.926 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.871 -14.166 -20.940 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.169 -13.876 -20.843 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.385 -14.685 -19.304 1.00 0.00 H new ATOM 485 N ALA A 31 -4.148 -13.364 -17.906 1.00 0.00 N ATOM 486 CA ALA A 31 -4.758 -13.705 -16.622 1.00 0.00 C ATOM 487 C ALA A 31 -6.269 -13.485 -16.680 1.00 0.00 C ATOM 488 O ALA A 31 -6.763 -12.655 -17.447 1.00 0.00 O ATOM 489 CB ALA A 31 -4.164 -12.857 -15.493 1.00 0.00 C ATOM 0 H ALA A 31 -3.988 -12.367 -18.051 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.551 -14.756 -16.420 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.634 -13.129 -14.548 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.091 -13.036 -15.430 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.344 -11.802 -15.697 1.00 0.00 H new ATOM 495 N GLU A 32 -6.994 -14.241 -15.856 1.00 0.00 N ATOM 496 CA GLU A 32 -8.456 -14.133 -15.808 1.00 0.00 C ATOM 497 C GLU A 32 -8.939 -13.886 -14.372 1.00 0.00 C ATOM 498 O GLU A 32 -10.012 -14.348 -13.974 1.00 0.00 O ATOM 499 CB GLU A 32 -9.109 -15.412 -16.356 1.00 0.00 C ATOM 500 CG GLU A 32 -8.599 -16.636 -15.585 1.00 0.00 C ATOM 501 CD GLU A 32 -9.161 -17.907 -16.214 1.00 0.00 C ATOM 502 OE1 GLU A 32 -8.645 -18.315 -17.242 1.00 0.00 O ATOM 503 OE2 GLU A 32 -10.098 -18.457 -15.657 1.00 0.00 O ATOM 0 H GLU A 32 -6.599 -14.930 -15.216 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.748 -13.286 -16.429 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.193 -15.343 -16.268 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.882 -15.520 -17.417 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.509 -16.661 -15.602 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.900 -16.571 -14.539 1.00 0.00 H new ATOM 510 N ASP A 33 -8.135 -13.148 -13.602 1.00 0.00 N ATOM 511 CA ASP A 33 -8.481 -12.839 -12.213 1.00 0.00 C ATOM 512 C ASP A 33 -8.752 -11.343 -12.042 1.00 0.00 C ATOM 513 O ASP A 33 -9.701 -10.947 -11.363 1.00 0.00 O ATOM 514 CB ASP A 33 -7.341 -13.249 -11.274 1.00 0.00 C ATOM 515 CG ASP A 33 -7.912 -13.633 -9.910 1.00 0.00 C ATOM 516 OD1 ASP A 33 -8.442 -14.725 -9.797 1.00 0.00 O ATOM 517 OD2 ASP A 33 -7.808 -12.827 -8.999 1.00 0.00 O ATOM 0 H ASP A 33 -7.247 -12.756 -13.914 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.382 -13.399 -11.962 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.791 -14.089 -11.699 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.633 -12.427 -11.165 1.00 0.00 H new ATOM 522 N GLY A 34 -7.905 -10.518 -12.666 1.00 0.00 N ATOM 523 CA GLY A 34 -8.053 -9.065 -12.581 1.00 0.00 C ATOM 524 C GLY A 34 -6.977 -8.455 -11.684 1.00 0.00 C ATOM 525 O GLY A 34 -7.238 -7.506 -10.942 1.00 0.00 O ATOM 0 H GLY A 34 -7.116 -10.831 -13.231 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.989 -8.631 -13.579 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.040 -8.819 -12.189 1.00 0.00 H new ATOM 529 N CYS A 35 -5.761 -9.011 -11.762 1.00 0.00 N ATOM 530 CA CYS A 35 -4.637 -8.520 -10.957 1.00 0.00 C ATOM 531 C CYS A 35 -3.322 -8.791 -11.686 1.00 0.00 C ATOM 532 O CYS A 35 -3.128 -9.869 -12.255 1.00 0.00 O ATOM 533 CB CYS A 35 -4.586 -9.208 -9.583 1.00 0.00 C ATOM 534 SG CYS A 35 -6.254 -9.646 -9.025 1.00 0.00 S ATOM 0 H CYS A 35 -5.532 -9.797 -12.371 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.780 -7.449 -10.810 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.970 -10.105 -9.642 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.116 -8.546 -8.856 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.743 -8.673 -8.315 1.00 0.00 H new ATOM 540 N ILE A 36 -2.415 -7.811 -11.657 1.00 0.00 N ATOM 541 CA ILE A 36 -1.117 -7.976 -12.318 1.00 0.00 C ATOM 542 C ILE A 36 -0.170 -8.767 -11.414 1.00 0.00 C ATOM 543 O ILE A 36 -0.440 -8.956 -10.226 1.00 0.00 O ATOM 544 CB ILE A 36 -0.484 -6.614 -12.672 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.059 -5.932 -11.406 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.531 -5.707 -13.326 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.585 -6.073 -11.361 1.00 0.00 C ATOM 0 H ILE A 36 -2.550 -6.913 -11.193 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.281 -8.522 -13.247 1.00 0.00 H new ATOM 0 HB ILE A 36 0.338 -6.784 -13.367 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.219 -4.878 -11.400 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.385 -6.384 -10.519 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.077 -4.747 -13.573 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.903 -6.178 -14.236 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.359 -5.550 -12.635 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.969 -5.589 -10.463 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.852 -7.130 -11.346 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.020 -5.601 -12.242 1.00 0.00 H new ATOM 559 N SER A 37 0.940 -9.228 -11.987 1.00 0.00 N ATOM 560 CA SER A 37 1.914 -9.999 -11.219 1.00 0.00 C ATOM 561 C SER A 37 2.925 -9.067 -10.552 1.00 0.00 C ATOM 562 O SER A 37 3.781 -8.483 -11.218 1.00 0.00 O ATOM 563 CB SER A 37 2.657 -10.987 -12.125 1.00 0.00 C ATOM 564 OG SER A 37 2.936 -12.175 -11.398 1.00 0.00 O ATOM 0 H SER A 37 1.185 -9.084 -12.967 1.00 0.00 H new ATOM 0 HA SER A 37 1.374 -10.555 -10.452 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.053 -11.218 -13.003 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.584 -10.541 -12.485 1.00 0.00 H new ATOM 0 HG SER A 37 3.410 -12.809 -11.976 1.00 0.00 H new ATOM 570 N THR A 38 2.811 -8.937 -9.224 1.00 0.00 N ATOM 571 CA THR A 38 3.722 -8.077 -8.453 1.00 0.00 C ATOM 572 C THR A 38 5.181 -8.420 -8.765 1.00 0.00 C ATOM 573 O THR A 38 6.021 -7.530 -8.911 1.00 0.00 O ATOM 574 CB THR A 38 3.489 -8.236 -6.941 1.00 0.00 C ATOM 575 OG1 THR A 38 3.752 -9.579 -6.548 1.00 0.00 O ATOM 576 CG2 THR A 38 2.042 -7.873 -6.594 1.00 0.00 C ATOM 0 H THR A 38 2.103 -9.412 -8.663 1.00 0.00 H new ATOM 0 HA THR A 38 3.516 -7.046 -8.741 1.00 0.00 H new ATOM 0 HB THR A 38 4.164 -7.567 -6.408 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.030 -10.160 -6.865 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.885 -7.988 -5.522 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.848 -6.839 -6.880 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.362 -8.533 -7.133 1.00 0.00 H new ATOM 584 N LYS A 39 5.468 -9.723 -8.876 1.00 0.00 N ATOM 585 CA LYS A 39 6.827 -10.180 -9.186 1.00 0.00 C ATOM 586 C LYS A 39 7.271 -9.672 -10.563 1.00 0.00 C ATOM 587 O LYS A 39 8.463 -9.471 -10.805 1.00 0.00 O ATOM 588 CB LYS A 39 6.905 -11.714 -9.166 1.00 0.00 C ATOM 589 CG LYS A 39 5.953 -12.306 -10.215 1.00 0.00 C ATOM 590 CD LYS A 39 5.276 -13.556 -9.647 1.00 0.00 C ATOM 591 CE LYS A 39 6.095 -14.796 -10.012 1.00 0.00 C ATOM 592 NZ LYS A 39 5.262 -16.018 -9.818 1.00 0.00 N ATOM 0 H LYS A 39 4.785 -10.472 -8.757 1.00 0.00 H new ATOM 0 HA LYS A 39 7.492 -9.777 -8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.926 -12.036 -9.368 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.643 -12.086 -8.175 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.201 -11.569 -10.496 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.505 -12.559 -11.120 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.187 -13.473 -8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.265 -13.646 -10.044 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.430 -14.732 -11.047 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.989 -14.850 -9.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.819 -16.861 -10.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.964 -16.081 -8.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.422 -15.966 -10.429 1.00 0.00 H new ATOM 606 N GLU A 40 6.297 -9.455 -11.457 1.00 0.00 N ATOM 607 CA GLU A 40 6.590 -8.958 -12.800 1.00 0.00 C ATOM 608 C GLU A 40 6.314 -7.451 -12.899 1.00 0.00 C ATOM 609 O GLU A 40 6.193 -6.905 -13.999 1.00 0.00 O ATOM 610 CB GLU A 40 5.730 -9.690 -13.840 1.00 0.00 C ATOM 611 CG GLU A 40 5.996 -11.197 -13.764 1.00 0.00 C ATOM 612 CD GLU A 40 5.465 -11.875 -15.024 1.00 0.00 C ATOM 613 OE1 GLU A 40 6.191 -11.910 -16.005 1.00 0.00 O ATOM 614 OE2 GLU A 40 4.341 -12.349 -14.990 1.00 0.00 O ATOM 0 H GLU A 40 5.307 -9.616 -11.273 1.00 0.00 H new ATOM 0 HA GLU A 40 7.646 -9.143 -12.999 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.674 -9.488 -13.660 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.959 -9.321 -14.840 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.065 -11.383 -13.662 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.514 -11.618 -12.882 1.00 0.00 H new ATOM 621 N LEU A 41 6.228 -6.778 -11.740 1.00 0.00 N ATOM 622 CA LEU A 41 5.978 -5.335 -11.722 1.00 0.00 C ATOM 623 C LEU A 41 7.208 -4.555 -12.200 1.00 0.00 C ATOM 624 O LEU A 41 7.110 -3.368 -12.507 1.00 0.00 O ATOM 625 CB LEU A 41 5.592 -4.857 -10.322 1.00 0.00 C ATOM 626 CG LEU A 41 4.724 -3.593 -10.290 1.00 0.00 C ATOM 627 CD1 LEU A 41 3.643 -3.732 -9.216 1.00 0.00 C ATOM 628 CD2 LEU A 41 5.602 -2.379 -9.977 1.00 0.00 C ATOM 0 H LEU A 41 6.327 -7.205 -10.819 1.00 0.00 H new ATOM 0 HA LEU A 41 5.148 -5.146 -12.403 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.058 -5.660 -9.814 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.503 -4.670 -9.753 1.00 0.00 H new ATOM 0 HG LEU A 41 4.249 -3.459 -11.262 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.030 -2.831 -9.198 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.015 -4.594 -9.441 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.113 -3.870 -8.242 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.986 -1.480 -9.954 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.080 -2.516 -9.007 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.367 -2.275 -10.747 1.00 0.00 H new ATOM 640 N GLY A 42 8.364 -5.233 -12.286 1.00 0.00 N ATOM 641 CA GLY A 42 9.585 -4.580 -12.760 1.00 0.00 C ATOM 642 C GLY A 42 9.362 -3.994 -14.156 1.00 0.00 C ATOM 643 O GLY A 42 9.888 -2.932 -14.487 1.00 0.00 O ATOM 0 H GLY A 42 8.474 -6.216 -12.037 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.876 -3.790 -12.068 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.404 -5.299 -12.786 1.00 0.00 H new ATOM 647 N LYS A 43 8.546 -4.693 -14.958 1.00 0.00 N ATOM 648 CA LYS A 43 8.221 -4.235 -16.311 1.00 0.00 C ATOM 649 C LYS A 43 7.238 -3.061 -16.255 1.00 0.00 C ATOM 650 O LYS A 43 7.175 -2.245 -17.176 1.00 0.00 O ATOM 651 CB LYS A 43 7.592 -5.372 -17.135 1.00 0.00 C ATOM 652 CG LYS A 43 8.506 -6.607 -17.124 1.00 0.00 C ATOM 653 CD LYS A 43 9.821 -6.291 -17.846 1.00 0.00 C ATOM 654 CE LYS A 43 9.587 -6.247 -19.360 1.00 0.00 C ATOM 655 NZ LYS A 43 9.828 -4.863 -19.862 1.00 0.00 N ATOM 0 H LYS A 43 8.103 -5.572 -14.693 1.00 0.00 H new ATOM 0 HA LYS A 43 9.148 -3.916 -16.786 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.616 -5.630 -16.725 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.430 -5.040 -18.161 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.709 -6.911 -16.097 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.006 -7.444 -17.611 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.214 -5.334 -17.502 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.568 -7.047 -17.607 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.254 -6.948 -19.862 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.567 -6.556 -19.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.669 -4.834 -20.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.175 -4.204 -19.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.809 -4.585 -19.655 1.00 0.00 H new ATOM 669 N VAL A 44 6.481 -2.979 -15.151 1.00 0.00 N ATOM 670 CA VAL A 44 5.511 -1.901 -14.961 1.00 0.00 C ATOM 671 C VAL A 44 6.243 -0.605 -14.641 1.00 0.00 C ATOM 672 O VAL A 44 5.987 0.432 -15.251 1.00 0.00 O ATOM 673 CB VAL A 44 4.553 -2.214 -13.803 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.418 -1.190 -13.795 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.968 -3.623 -13.965 1.00 0.00 C ATOM 0 H VAL A 44 6.525 -3.646 -14.381 1.00 0.00 H new ATOM 0 HA VAL A 44 4.937 -1.802 -15.882 1.00 0.00 H new ATOM 0 HB VAL A 44 5.103 -2.165 -12.863 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.736 -1.409 -12.974 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.831 -0.190 -13.666 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.876 -1.240 -14.740 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.290 -3.833 -13.138 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.421 -3.684 -14.906 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.776 -4.354 -13.967 1.00 0.00 H new ATOM 685 N MET A 45 7.163 -0.686 -13.675 1.00 0.00 N ATOM 686 CA MET A 45 7.948 0.477 -13.269 1.00 0.00 C ATOM 687 C MET A 45 8.712 1.040 -14.464 1.00 0.00 C ATOM 688 O MET A 45 8.777 2.254 -14.650 1.00 0.00 O ATOM 689 CB MET A 45 8.946 0.100 -12.167 1.00 0.00 C ATOM 690 CG MET A 45 8.188 -0.247 -10.883 1.00 0.00 C ATOM 691 SD MET A 45 8.204 1.178 -9.766 1.00 0.00 S ATOM 692 CE MET A 45 6.728 0.740 -8.817 1.00 0.00 C ATOM 0 H MET A 45 7.380 -1.542 -13.164 1.00 0.00 H new ATOM 0 HA MET A 45 7.260 1.231 -12.885 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.550 -0.749 -12.485 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.631 0.928 -11.984 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.161 -0.526 -11.119 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.649 -1.108 -10.398 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.547 1.499 -8.056 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.869 0.684 -9.486 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.878 -0.227 -8.337 1.00 0.00 H new ATOM 702 N ARG A 46 9.280 0.141 -15.279 1.00 0.00 N ATOM 703 CA ARG A 46 10.032 0.563 -16.468 1.00 0.00 C ATOM 704 C ARG A 46 9.139 1.387 -17.397 1.00 0.00 C ATOM 705 O ARG A 46 9.585 2.362 -18.004 1.00 0.00 O ATOM 706 CB ARG A 46 10.565 -0.654 -17.231 1.00 0.00 C ATOM 707 CG ARG A 46 11.670 -1.321 -16.411 1.00 0.00 C ATOM 708 CD ARG A 46 11.979 -2.704 -16.989 1.00 0.00 C ATOM 709 NE ARG A 46 13.332 -3.129 -16.620 1.00 0.00 N ATOM 710 CZ ARG A 46 13.802 -4.342 -16.940 1.00 0.00 C ATOM 711 NH1 ARG A 46 13.060 -5.195 -17.608 1.00 0.00 N ATOM 712 NH2 ARG A 46 15.016 -4.680 -16.584 1.00 0.00 N ATOM 0 H ARG A 46 9.235 -0.868 -15.140 1.00 0.00 H new ATOM 0 HA ARG A 46 10.872 1.173 -16.136 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.758 -1.362 -17.419 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.952 -0.347 -18.203 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.568 -0.703 -16.422 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.359 -1.413 -15.370 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.252 -3.428 -16.621 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.883 -2.680 -18.075 1.00 0.00 H new ATOM 0 HE ARG A 46 13.932 -2.484 -16.106 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.114 -4.937 -17.889 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.430 -6.116 -17.846 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.598 -4.021 -16.066 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.380 -5.602 -16.824 1.00 0.00 H new ATOM 726 N MET A 47 7.869 0.985 -17.485 1.00 0.00 N ATOM 727 CA MET A 47 6.897 1.691 -18.326 1.00 0.00 C ATOM 728 C MET A 47 6.416 2.974 -17.638 1.00 0.00 C ATOM 729 O MET A 47 6.048 3.946 -18.302 1.00 0.00 O ATOM 730 CB MET A 47 5.685 0.800 -18.608 1.00 0.00 C ATOM 731 CG MET A 47 6.101 -0.381 -19.491 1.00 0.00 C ATOM 732 SD MET A 47 6.474 0.214 -21.161 1.00 0.00 S ATOM 733 CE MET A 47 7.948 -0.797 -21.441 1.00 0.00 C ATOM 0 H MET A 47 7.490 0.179 -16.988 1.00 0.00 H new ATOM 0 HA MET A 47 7.392 1.945 -19.263 1.00 0.00 H new ATOM 0 HB2 MET A 47 5.265 0.435 -17.671 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.905 1.378 -19.103 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.974 -0.876 -19.066 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.301 -1.121 -19.527 1.00 0.00 H new ATOM 0 HE1 MET A 47 8.351 -0.587 -22.432 1.00 0.00 H new ATOM 0 HE2 MET A 47 8.699 -0.562 -20.687 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.684 -1.852 -21.373 1.00 0.00 H new ATOM 743 N LEU A 48 6.427 2.965 -16.299 1.00 0.00 N ATOM 744 CA LEU A 48 5.997 4.127 -15.516 1.00 0.00 C ATOM 745 C LEU A 48 7.025 5.252 -15.616 1.00 0.00 C ATOM 746 O LEU A 48 6.680 6.434 -15.563 1.00 0.00 O ATOM 747 CB LEU A 48 5.826 3.736 -14.043 1.00 0.00 C ATOM 748 CG LEU A 48 4.393 3.402 -13.602 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.659 2.659 -14.724 1.00 0.00 C ATOM 750 CD2 LEU A 48 4.441 2.514 -12.355 1.00 0.00 C ATOM 0 H LEU A 48 6.728 2.168 -15.738 1.00 0.00 H new ATOM 0 HA LEU A 48 5.045 4.473 -15.918 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.459 2.872 -13.840 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.195 4.554 -13.424 1.00 0.00 H new ATOM 0 HG LEU A 48 3.863 4.328 -13.378 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.644 2.426 -14.403 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.623 3.288 -15.614 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.188 1.734 -14.955 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.425 2.275 -12.039 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.976 1.593 -12.585 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.956 3.042 -11.552 1.00 0.00 H new ATOM 762 N GLY A 49 8.293 4.864 -15.771 1.00 0.00 N ATOM 763 CA GLY A 49 9.380 5.840 -15.888 1.00 0.00 C ATOM 764 C GLY A 49 10.490 5.594 -14.860 1.00 0.00 C ATOM 765 O GLY A 49 11.147 6.537 -14.415 1.00 0.00 O ATOM 0 H GLY A 49 8.591 3.890 -15.818 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.801 5.795 -16.893 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.980 6.845 -15.755 1.00 0.00 H new ATOM 769 N GLN A 50 10.702 4.323 -14.492 1.00 0.00 N ATOM 770 CA GLN A 50 11.750 3.981 -13.520 1.00 0.00 C ATOM 771 C GLN A 50 12.173 2.520 -13.669 1.00 0.00 C ATOM 772 O GLN A 50 11.352 1.644 -13.931 1.00 0.00 O ATOM 773 CB GLN A 50 11.271 4.230 -12.080 1.00 0.00 C ATOM 774 CG GLN A 50 9.909 3.566 -11.849 1.00 0.00 C ATOM 775 CD GLN A 50 8.939 4.584 -11.254 1.00 0.00 C ATOM 776 OE1 GLN A 50 8.867 4.741 -10.036 1.00 0.00 O ATOM 777 NE2 GLN A 50 8.180 5.291 -12.048 1.00 0.00 N ATOM 0 H GLN A 50 10.172 3.527 -14.845 1.00 0.00 H new ATOM 0 HA GLN A 50 12.606 4.624 -13.723 1.00 0.00 H new ATOM 0 HB2 GLN A 50 12.000 3.834 -11.373 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.197 5.302 -11.895 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.516 3.181 -12.790 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.017 2.715 -11.177 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.239 5.162 -13.058 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.529 5.972 -11.658 1.00 0.00 H new ATOM 786 N ASN A 51 13.472 2.269 -13.501 1.00 0.00 N ATOM 787 CA ASN A 51 14.002 0.907 -13.624 1.00 0.00 C ATOM 788 C ASN A 51 14.657 0.460 -12.310 1.00 0.00 C ATOM 789 O ASN A 51 15.879 0.519 -12.156 1.00 0.00 O ATOM 790 CB ASN A 51 15.026 0.821 -14.771 1.00 0.00 C ATOM 791 CG ASN A 51 15.945 2.046 -14.761 1.00 0.00 C ATOM 792 OD1 ASN A 51 17.013 2.024 -14.148 1.00 0.00 O ATOM 793 ND2 ASN A 51 15.592 3.121 -15.416 1.00 0.00 N ATOM 0 H ASN A 51 14.170 2.980 -13.282 1.00 0.00 H new ATOM 0 HA ASN A 51 13.167 0.242 -13.847 1.00 0.00 H new ATOM 0 HB2 ASN A 51 15.620 -0.087 -14.669 1.00 0.00 H new ATOM 0 HB3 ASN A 51 14.506 0.757 -15.727 1.00 0.00 H new ATOM 0 HD21 ASN A 51 16.201 3.939 -15.419 1.00 0.00 H new ATOM 0 HD22 ASN A 51 14.708 3.141 -15.924 1.00 0.00 H new ATOM 800 N PRO A 52 13.844 0.007 -11.346 1.00 0.00 N ATOM 801 CA PRO A 52 14.347 -0.456 -10.039 1.00 0.00 C ATOM 802 C PRO A 52 14.827 -1.911 -10.075 1.00 0.00 C ATOM 803 O PRO A 52 15.099 -2.463 -11.145 1.00 0.00 O ATOM 804 CB PRO A 52 13.113 -0.307 -9.155 1.00 0.00 C ATOM 805 CG PRO A 52 11.898 -0.374 -10.071 1.00 0.00 C ATOM 806 CD PRO A 52 12.378 -0.076 -11.496 1.00 0.00 C ATOM 0 HA PRO A 52 15.217 0.103 -9.696 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.076 -1.099 -8.407 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.137 0.640 -8.615 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.434 -1.359 -10.021 1.00 0.00 H new ATOM 0 HG3 PRO A 52 11.144 0.350 -9.761 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.088 -0.863 -12.192 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.958 0.855 -11.876 1.00 0.00 H new ATOM 814 N THR A 53 14.918 -2.524 -8.894 1.00 0.00 N ATOM 815 CA THR A 53 15.354 -3.917 -8.784 1.00 0.00 C ATOM 816 C THR A 53 14.152 -4.796 -8.413 1.00 0.00 C ATOM 817 O THR A 53 13.068 -4.277 -8.138 1.00 0.00 O ATOM 818 CB THR A 53 16.453 -4.053 -7.709 1.00 0.00 C ATOM 819 OG1 THR A 53 15.859 -4.195 -6.425 1.00 0.00 O ATOM 820 CG2 THR A 53 17.354 -2.814 -7.709 1.00 0.00 C ATOM 0 H THR A 53 14.696 -2.080 -8.003 1.00 0.00 H new ATOM 0 HA THR A 53 15.763 -4.239 -9.741 1.00 0.00 H new ATOM 0 HB THR A 53 17.052 -4.934 -7.937 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.562 -4.282 -5.747 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.124 -2.924 -6.946 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.824 -2.706 -8.686 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.755 -1.929 -7.495 1.00 0.00 H new ATOM 828 N PRO A 54 14.321 -6.127 -8.384 1.00 0.00 N ATOM 829 CA PRO A 54 13.219 -7.042 -8.022 1.00 0.00 C ATOM 830 C PRO A 54 12.914 -7.011 -6.523 1.00 0.00 C ATOM 831 O PRO A 54 11.781 -7.257 -6.104 1.00 0.00 O ATOM 832 CB PRO A 54 13.748 -8.398 -8.471 1.00 0.00 C ATOM 833 CG PRO A 54 15.265 -8.288 -8.517 1.00 0.00 C ATOM 834 CD PRO A 54 15.603 -6.803 -8.689 1.00 0.00 C ATOM 0 HA PRO A 54 12.271 -6.776 -8.489 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.439 -9.181 -7.779 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.350 -8.662 -9.451 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.708 -8.680 -7.602 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.669 -8.873 -9.343 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.395 -6.489 -8.010 1.00 0.00 H new ATOM 0 HD3 PRO A 54 15.944 -6.582 -9.700 1.00 0.00 H new ATOM 842 N GLU A 55 13.933 -6.672 -5.727 1.00 0.00 N ATOM 843 CA GLU A 55 13.764 -6.572 -4.278 1.00 0.00 C ATOM 844 C GLU A 55 13.132 -5.221 -3.919 1.00 0.00 C ATOM 845 O GLU A 55 12.355 -5.123 -2.968 1.00 0.00 O ATOM 846 CB GLU A 55 15.116 -6.697 -3.564 1.00 0.00 C ATOM 847 CG GLU A 55 15.754 -8.051 -3.900 1.00 0.00 C ATOM 848 CD GLU A 55 16.737 -8.444 -2.801 1.00 0.00 C ATOM 849 OE1 GLU A 55 16.287 -8.908 -1.766 1.00 0.00 O ATOM 850 OE2 GLU A 55 17.928 -8.279 -3.011 1.00 0.00 O ATOM 0 H GLU A 55 14.875 -6.464 -6.060 1.00 0.00 H new ATOM 0 HA GLU A 55 13.114 -7.384 -3.954 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.777 -5.886 -3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.979 -6.606 -2.486 1.00 0.00 H new ATOM 0 HG2 GLU A 55 14.981 -8.813 -3.999 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.270 -7.993 -4.859 1.00 0.00 H new ATOM 857 N GLU A 56 13.477 -4.184 -4.698 1.00 0.00 N ATOM 858 CA GLU A 56 12.945 -2.840 -4.462 1.00 0.00 C ATOM 859 C GLU A 56 11.482 -2.744 -4.897 1.00 0.00 C ATOM 860 O GLU A 56 10.644 -2.226 -4.159 1.00 0.00 O ATOM 861 CB GLU A 56 13.763 -1.796 -5.232 1.00 0.00 C ATOM 862 CG GLU A 56 13.838 -0.498 -4.420 1.00 0.00 C ATOM 863 CD GLU A 56 14.874 -0.646 -3.309 1.00 0.00 C ATOM 864 OE1 GLU A 56 16.042 -0.419 -3.580 1.00 0.00 O ATOM 865 OE2 GLU A 56 14.485 -0.985 -2.202 1.00 0.00 O ATOM 0 H GLU A 56 14.117 -4.253 -5.489 1.00 0.00 H new ATOM 0 HA GLU A 56 13.013 -2.643 -3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.767 -2.175 -5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.305 -1.604 -6.202 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.105 0.335 -5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.862 -0.268 -3.992 1.00 0.00 H new ATOM 872 N LEU A 57 11.184 -3.248 -6.103 1.00 0.00 N ATOM 873 CA LEU A 57 9.816 -3.209 -6.622 1.00 0.00 C ATOM 874 C LEU A 57 8.858 -3.959 -5.693 1.00 0.00 C ATOM 875 O LEU A 57 7.722 -3.528 -5.485 1.00 0.00 O ATOM 876 CB LEU A 57 9.746 -3.815 -8.033 1.00 0.00 C ATOM 877 CG LEU A 57 9.974 -5.332 -8.133 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.650 -6.077 -7.919 1.00 0.00 C ATOM 879 CD2 LEU A 57 10.518 -5.670 -9.523 1.00 0.00 C ATOM 0 H LEU A 57 11.864 -3.681 -6.728 1.00 0.00 H new ATOM 0 HA LEU A 57 9.514 -2.163 -6.672 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.767 -3.587 -8.455 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.487 -3.315 -8.657 1.00 0.00 H new ATOM 0 HG LEU A 57 10.687 -5.637 -7.367 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.821 -7.151 -7.992 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.254 -5.839 -6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.933 -5.771 -8.681 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.681 -6.745 -9.598 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.799 -5.358 -10.281 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.462 -5.148 -9.681 1.00 0.00 H new ATOM 891 N GLN A 58 9.328 -5.081 -5.134 1.00 0.00 N ATOM 892 CA GLN A 58 8.499 -5.877 -4.225 1.00 0.00 C ATOM 893 C GLN A 58 8.207 -5.101 -2.939 1.00 0.00 C ATOM 894 O GLN A 58 7.098 -5.163 -2.413 1.00 0.00 O ATOM 895 CB GLN A 58 9.189 -7.199 -3.866 1.00 0.00 C ATOM 896 CG GLN A 58 8.898 -8.261 -4.939 1.00 0.00 C ATOM 897 CD GLN A 58 7.396 -8.365 -5.201 1.00 0.00 C ATOM 898 OE1 GLN A 58 6.964 -8.384 -6.352 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.568 -8.434 -4.196 1.00 0.00 N ATOM 0 H GLN A 58 10.264 -5.453 -5.293 1.00 0.00 H new ATOM 0 HA GLN A 58 7.563 -6.091 -4.741 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.265 -7.044 -3.780 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.839 -7.548 -2.895 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.417 -8.004 -5.863 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.284 -9.228 -4.615 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.924 -8.418 -3.240 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.565 -8.504 -4.366 1.00 0.00 H new ATOM 908 N GLU A 59 9.211 -4.369 -2.443 1.00 0.00 N ATOM 909 CA GLU A 59 9.046 -3.579 -1.216 1.00 0.00 C ATOM 910 C GLU A 59 7.923 -2.552 -1.379 1.00 0.00 C ATOM 911 O GLU A 59 7.140 -2.324 -0.454 1.00 0.00 O ATOM 912 CB GLU A 59 10.345 -2.845 -0.865 1.00 0.00 C ATOM 913 CG GLU A 59 11.346 -3.831 -0.254 1.00 0.00 C ATOM 914 CD GLU A 59 11.057 -4.001 1.235 1.00 0.00 C ATOM 915 OE1 GLU A 59 10.226 -4.831 1.568 1.00 0.00 O ATOM 916 OE2 GLU A 59 11.672 -3.300 2.021 1.00 0.00 O ATOM 0 H GLU A 59 10.137 -4.307 -2.866 1.00 0.00 H new ATOM 0 HA GLU A 59 8.791 -4.269 -0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.769 -2.388 -1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.139 -2.038 -0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.277 -4.794 -0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.363 -3.467 -0.398 1.00 0.00 H new ATOM 923 N MET A 60 7.846 -1.947 -2.569 1.00 0.00 N ATOM 924 CA MET A 60 6.804 -0.954 -2.852 1.00 0.00 C ATOM 925 C MET A 60 5.437 -1.629 -2.889 1.00 0.00 C ATOM 926 O MET A 60 4.453 -1.106 -2.363 1.00 0.00 O ATOM 927 CB MET A 60 7.056 -0.263 -4.198 1.00 0.00 C ATOM 928 CG MET A 60 8.465 0.332 -4.220 1.00 0.00 C ATOM 929 SD MET A 60 8.651 1.391 -5.676 1.00 0.00 S ATOM 930 CE MET A 60 10.278 0.790 -6.193 1.00 0.00 C ATOM 0 H MET A 60 8.485 -2.125 -3.344 1.00 0.00 H new ATOM 0 HA MET A 60 6.828 -0.206 -2.060 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.941 -0.979 -5.012 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.317 0.522 -4.358 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.642 0.909 -3.312 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.208 -0.466 -4.240 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.866 1.621 -6.583 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.792 0.351 -5.338 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.157 0.035 -6.970 1.00 0.00 H new ATOM 940 N ILE A 61 5.398 -2.806 -3.515 1.00 0.00 N ATOM 941 CA ILE A 61 4.157 -3.578 -3.626 1.00 0.00 C ATOM 942 C ILE A 61 3.688 -4.041 -2.247 1.00 0.00 C ATOM 943 O ILE A 61 2.519 -3.898 -1.903 1.00 0.00 O ATOM 944 CB ILE A 61 4.366 -4.806 -4.522 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.701 -4.343 -5.944 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.090 -5.657 -4.552 1.00 0.00 C ATOM 947 CD1 ILE A 61 5.531 -5.415 -6.653 1.00 0.00 C ATOM 0 H ILE A 61 6.208 -3.246 -3.952 1.00 0.00 H new ATOM 0 HA ILE A 61 3.399 -2.931 -4.068 1.00 0.00 H new ATOM 0 HB ILE A 61 5.185 -5.405 -4.125 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.783 -4.153 -6.501 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.254 -3.404 -5.910 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.247 -6.526 -5.190 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.849 -5.987 -3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.265 -5.063 -4.945 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.767 -5.083 -7.664 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.456 -5.584 -6.101 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.962 -6.344 -6.700 1.00 0.00 H new ATOM 959 N ASP A 62 4.615 -4.604 -1.466 1.00 0.00 N ATOM 960 CA ASP A 62 4.289 -5.095 -0.123 1.00 0.00 C ATOM 961 C ASP A 62 3.621 -4.005 0.721 1.00 0.00 C ATOM 962 O ASP A 62 2.731 -4.291 1.525 1.00 0.00 O ATOM 963 CB ASP A 62 5.558 -5.577 0.592 1.00 0.00 C ATOM 964 CG ASP A 62 5.829 -7.036 0.230 1.00 0.00 C ATOM 965 OD1 ASP A 62 5.106 -7.892 0.714 1.00 0.00 O ATOM 966 OD2 ASP A 62 6.757 -7.277 -0.525 1.00 0.00 O ATOM 0 H ASP A 62 5.590 -4.731 -1.737 1.00 0.00 H new ATOM 0 HA ASP A 62 3.593 -5.926 -0.238 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.407 -4.957 0.304 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.440 -5.476 1.671 1.00 0.00 H new ATOM 971 N GLU A 63 4.061 -2.756 0.532 1.00 0.00 N ATOM 972 CA GLU A 63 3.503 -1.628 1.285 1.00 0.00 C ATOM 973 C GLU A 63 2.106 -1.248 0.779 1.00 0.00 C ATOM 974 O GLU A 63 1.182 -1.070 1.574 1.00 0.00 O ATOM 975 CB GLU A 63 4.419 -0.405 1.177 1.00 0.00 C ATOM 976 CG GLU A 63 5.653 -0.608 2.063 1.00 0.00 C ATOM 977 CD GLU A 63 6.610 0.567 1.886 1.00 0.00 C ATOM 978 OE1 GLU A 63 7.360 0.555 0.924 1.00 0.00 O ATOM 979 OE2 GLU A 63 6.577 1.461 2.717 1.00 0.00 O ATOM 0 H GLU A 63 4.795 -2.502 -0.129 1.00 0.00 H new ATOM 0 HA GLU A 63 3.426 -1.943 2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.723 -0.256 0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.882 0.493 1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.353 -0.692 3.108 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.153 -1.540 1.799 1.00 0.00 H new ATOM 986 N VAL A 64 1.962 -1.113 -0.545 1.00 0.00 N ATOM 987 CA VAL A 64 0.668 -0.736 -1.133 1.00 0.00 C ATOM 988 C VAL A 64 -0.356 -1.876 -1.026 1.00 0.00 C ATOM 989 O VAL A 64 -1.546 -1.629 -0.824 1.00 0.00 O ATOM 990 CB VAL A 64 0.839 -0.326 -2.606 1.00 0.00 C ATOM 991 CG1 VAL A 64 1.316 -1.519 -3.437 1.00 0.00 C ATOM 992 CG2 VAL A 64 -0.498 0.175 -3.162 1.00 0.00 C ATOM 0 H VAL A 64 2.712 -1.256 -1.222 1.00 0.00 H new ATOM 0 HA VAL A 64 0.291 0.115 -0.566 1.00 0.00 H new ATOM 0 HB VAL A 64 1.582 0.469 -2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.433 -1.215 -4.477 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.273 -1.871 -3.052 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.582 -2.323 -3.374 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.373 0.464 -4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.241 -0.619 -3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.832 1.037 -2.584 1.00 0.00 H new ATOM 1002 N ASP A 65 0.113 -3.122 -1.161 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.776 -4.281 -1.073 1.00 0.00 C ATOM 1004 C ASP A 65 -1.212 -4.496 0.375 1.00 0.00 C ATOM 1005 O ASP A 65 -0.426 -4.934 1.219 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.080 -5.546 -1.592 1.00 0.00 C ATOM 1007 CG ASP A 65 -0.987 -6.263 -2.589 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -1.824 -7.036 -2.154 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.833 -6.026 -3.776 1.00 0.00 O ATOM 0 H ASP A 65 1.093 -3.350 -1.330 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.651 -4.086 -1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.864 -5.283 -2.069 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.157 -6.209 -0.760 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.475 -4.169 0.648 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.032 -4.311 1.998 1.00 0.00 C ATOM 1016 C GLU A 66 -3.063 -5.777 2.444 1.00 0.00 C ATOM 1017 O GLU A 66 -2.907 -6.079 3.629 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.457 -3.741 2.057 1.00 0.00 C ATOM 1019 CG GLU A 66 -5.359 -4.446 1.030 1.00 0.00 C ATOM 1020 CD GLU A 66 -6.022 -3.410 0.127 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -5.428 -3.066 -0.884 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -7.114 -2.979 0.455 1.00 0.00 O ATOM 0 H GLU A 66 -3.131 -3.805 -0.043 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.383 -3.753 2.673 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.866 -3.870 3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.436 -2.670 1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.770 -5.140 0.431 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.120 -5.034 1.543 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.272 -6.676 1.483 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.335 -8.110 1.774 1.00 0.00 C ATOM 1031 C ASP A 67 -2.003 -8.800 1.461 1.00 0.00 C ATOM 1032 O ASP A 67 -1.614 -9.749 2.144 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.460 -8.778 0.961 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.385 -8.351 -0.507 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -4.900 -7.291 -0.828 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -3.816 -9.089 -1.288 1.00 0.00 O ATOM 0 H ASP A 67 -3.400 -6.439 0.499 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.543 -8.219 2.838 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.376 -9.862 1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.430 -8.504 1.377 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.314 -8.318 0.422 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.031 -8.902 0.021 1.00 0.00 C ATOM 1043 C GLY A 68 -0.242 -10.279 -0.605 1.00 0.00 C ATOM 1044 O GLY A 68 0.426 -11.250 -0.248 1.00 0.00 O ATOM 0 H GLY A 68 -1.620 -7.532 -0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.468 -8.245 -0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.624 -8.987 0.888 1.00 0.00 H new ATOM 1048 N SER A 69 -1.193 -10.345 -1.541 1.00 0.00 N ATOM 1049 CA SER A 69 -1.518 -11.601 -2.226 1.00 0.00 C ATOM 1050 C SER A 69 -0.496 -11.942 -3.321 1.00 0.00 C ATOM 1051 O SER A 69 -0.504 -13.052 -3.858 1.00 0.00 O ATOM 1052 CB SER A 69 -2.906 -11.505 -2.871 1.00 0.00 C ATOM 1053 OG SER A 69 -2.984 -10.315 -3.655 1.00 0.00 O ATOM 0 H SER A 69 -1.751 -9.546 -1.842 1.00 0.00 H new ATOM 0 HA SER A 69 -1.497 -12.389 -1.473 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.089 -12.378 -3.497 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.677 -11.497 -2.101 1.00 0.00 H new ATOM 0 HG SER A 69 -3.299 -9.575 -3.095 1.00 0.00 H new ATOM 1059 N GLY A 70 0.363 -10.977 -3.665 1.00 0.00 N ATOM 1060 CA GLY A 70 1.358 -11.187 -4.715 1.00 0.00 C ATOM 1061 C GLY A 70 0.807 -10.736 -6.072 1.00 0.00 C ATOM 1062 O GLY A 70 1.371 -11.058 -7.118 1.00 0.00 O ATOM 0 H GLY A 70 0.388 -10.052 -3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.266 -10.631 -4.481 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.632 -12.241 -4.759 1.00 0.00 H new ATOM 1066 N THR A 71 -0.302 -9.984 -6.037 1.00 0.00 N ATOM 1067 CA THR A 71 -0.930 -9.485 -7.257 1.00 0.00 C ATOM 1068 C THR A 71 -1.494 -8.086 -7.008 1.00 0.00 C ATOM 1069 O THR A 71 -2.195 -7.854 -6.018 1.00 0.00 O ATOM 1070 CB THR A 71 -2.065 -10.417 -7.711 1.00 0.00 C ATOM 1071 OG1 THR A 71 -3.132 -10.366 -6.773 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.550 -11.854 -7.812 1.00 0.00 C ATOM 0 H THR A 71 -0.778 -9.711 -5.177 1.00 0.00 H new ATOM 0 HA THR A 71 -0.174 -9.448 -8.042 1.00 0.00 H new ATOM 0 HB THR A 71 -2.421 -10.091 -8.688 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.094 -9.520 -6.280 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.360 -12.509 -8.134 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.737 -11.899 -8.536 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.186 -12.179 -6.837 1.00 0.00 H new ATOM 1080 N VAL A 72 -1.176 -7.155 -7.905 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.656 -5.781 -7.757 1.00 0.00 C ATOM 1082 C VAL A 72 -2.994 -5.604 -8.464 1.00 0.00 C ATOM 1083 O VAL A 72 -3.101 -5.791 -9.677 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.660 -4.771 -8.343 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -0.995 -3.366 -7.830 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.765 -5.134 -7.919 1.00 0.00 C ATOM 0 H VAL A 72 -0.598 -7.321 -8.729 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.768 -5.595 -6.689 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.730 -4.794 -9.431 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.288 -2.649 -8.246 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.006 -3.098 -8.137 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.930 -3.351 -6.742 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.465 -4.412 -8.339 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.836 -5.118 -6.831 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.010 -6.132 -8.284 1.00 0.00 H new ATOM 1096 N ASP A 73 -4.005 -5.214 -7.692 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.333 -4.977 -8.253 1.00 0.00 C ATOM 1098 C ASP A 73 -5.366 -3.578 -8.855 1.00 0.00 C ATOM 1099 O ASP A 73 -4.502 -2.755 -8.554 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.411 -5.093 -7.169 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.562 -6.553 -6.750 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -5.777 -6.999 -5.929 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -7.460 -7.204 -7.257 1.00 0.00 O ATOM 0 H ASP A 73 -3.933 -5.057 -6.687 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.536 -5.726 -9.019 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.141 -4.483 -6.307 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.361 -4.712 -7.544 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.352 -3.308 -9.712 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.444 -1.988 -10.338 1.00 0.00 C ATOM 1110 C PHE A 74 -6.532 -0.881 -9.280 1.00 0.00 C ATOM 1111 O PHE A 74 -6.032 0.226 -9.489 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.647 -1.901 -11.282 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.504 -0.686 -12.159 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.275 -0.408 -12.769 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.594 0.165 -12.355 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -6.139 0.723 -13.575 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.458 1.297 -13.163 1.00 0.00 C ATOM 1118 CZ PHE A 74 -7.231 1.578 -13.772 1.00 0.00 C ATOM 0 H PHE A 74 -7.081 -3.967 -9.984 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.535 -1.844 -10.922 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.709 -2.801 -11.894 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.571 -1.842 -10.707 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.434 -1.068 -12.616 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.541 -0.052 -11.883 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.192 0.939 -14.047 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.301 1.955 -13.317 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.125 2.454 -14.394 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.147 -1.196 -8.133 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.259 -0.221 -7.048 1.00 0.00 C ATOM 1130 C ASP A 75 -5.886 -0.002 -6.405 1.00 0.00 C ATOM 1131 O ASP A 75 -5.486 1.133 -6.152 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.252 -0.700 -5.983 1.00 0.00 C ATOM 1133 CG ASP A 75 -9.678 -0.472 -6.481 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -10.141 0.654 -6.400 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -10.284 -1.428 -6.938 1.00 0.00 O ATOM 0 H ASP A 75 -7.568 -2.104 -7.936 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.624 0.717 -7.466 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -8.093 -1.757 -5.771 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.090 -0.160 -5.050 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.161 -1.106 -6.172 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.816 -1.029 -5.586 1.00 0.00 C ATOM 1142 C GLU A 76 -2.838 -0.399 -6.588 1.00 0.00 C ATOM 1143 O GLU A 76 -1.855 0.233 -6.200 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.309 -2.427 -5.202 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.300 -3.093 -4.237 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.818 -4.502 -3.877 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.561 -5.274 -4.786 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -3.727 -4.793 -2.697 1.00 0.00 O ATOM 0 H GLU A 76 -5.480 -2.053 -6.378 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.874 -0.411 -4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.191 -3.039 -6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.327 -2.352 -4.735 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.399 -2.492 -3.333 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.288 -3.144 -4.696 1.00 0.00 H new ATOM 1155 N PHE A 77 -3.135 -0.581 -7.880 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.306 -0.037 -8.957 1.00 0.00 C ATOM 1157 C PHE A 77 -2.351 1.493 -8.948 1.00 0.00 C ATOM 1158 O PHE A 77 -1.313 2.157 -8.904 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.831 -0.544 -10.308 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.715 -0.771 -11.306 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.377 -0.927 -10.897 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -2.038 -0.840 -12.665 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.621 -1.145 -11.851 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -1.038 -1.061 -13.612 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.289 -1.212 -13.208 1.00 0.00 C ATOM 0 H PHE A 77 -3.948 -1.104 -8.204 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.277 -0.364 -8.805 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.377 -1.475 -10.158 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.539 0.178 -10.715 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.122 -0.878 -9.849 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.064 -0.722 -12.982 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.649 -1.262 -11.540 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.291 -1.115 -14.660 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.061 -1.381 -13.944 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.572 2.038 -8.988 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.765 3.491 -8.984 1.00 0.00 C ATOM 1177 C LEU A 78 -3.411 4.081 -7.615 1.00 0.00 C ATOM 1178 O LEU A 78 -2.951 5.220 -7.522 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.220 3.840 -9.324 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.555 3.905 -10.823 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -4.879 2.749 -11.567 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -7.071 3.809 -11.008 1.00 0.00 C ATOM 0 H LEU A 78 -4.436 1.498 -9.023 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.105 3.918 -9.739 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.871 3.101 -8.856 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.458 4.804 -8.875 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.191 4.849 -11.228 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.124 2.806 -12.628 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.799 2.817 -11.440 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.233 1.800 -11.164 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.312 3.855 -12.070 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.429 2.866 -10.595 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.554 4.638 -10.491 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.621 3.286 -6.558 1.00 0.00 N ATOM 1195 CA VAL A 79 -3.311 3.727 -5.196 1.00 0.00 C ATOM 1196 C VAL A 79 -1.809 3.993 -5.071 1.00 0.00 C ATOM 1197 O VAL A 79 -1.399 5.043 -4.586 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.757 2.664 -4.171 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.857 2.689 -2.933 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -5.200 2.950 -3.745 1.00 0.00 C ATOM 0 H VAL A 79 -4.001 2.342 -6.620 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.854 4.649 -4.989 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.685 1.681 -4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.191 1.931 -2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.828 2.482 -3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.910 3.672 -2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.521 2.202 -3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.256 3.940 -3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.851 2.912 -4.618 1.00 0.00 H new ATOM 1210 N MET A 80 -1.002 3.026 -5.525 1.00 0.00 N ATOM 1211 CA MET A 80 0.463 3.152 -5.479 1.00 0.00 C ATOM 1212 C MET A 80 0.922 4.530 -5.977 1.00 0.00 C ATOM 1213 O MET A 80 1.884 5.096 -5.454 1.00 0.00 O ATOM 1214 CB MET A 80 1.117 2.067 -6.347 1.00 0.00 C ATOM 1215 CG MET A 80 2.240 1.388 -5.560 1.00 0.00 C ATOM 1216 SD MET A 80 3.327 0.495 -6.702 1.00 0.00 S ATOM 1217 CE MET A 80 2.294 -0.976 -6.912 1.00 0.00 C ATOM 0 H MET A 80 -1.336 2.150 -5.927 1.00 0.00 H new ATOM 0 HA MET A 80 0.769 3.033 -4.440 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.373 1.330 -6.648 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.515 2.509 -7.261 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.811 2.133 -5.005 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.820 0.699 -4.828 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.760 -1.823 -6.408 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.310 -0.794 -6.481 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.189 -1.198 -7.974 1.00 0.00 H new ATOM 1227 N MET A 81 0.223 5.060 -6.987 1.00 0.00 N ATOM 1228 CA MET A 81 0.568 6.371 -7.545 1.00 0.00 C ATOM 1229 C MET A 81 0.227 7.491 -6.561 1.00 0.00 C ATOM 1230 O MET A 81 1.101 8.262 -6.158 1.00 0.00 O ATOM 1231 CB MET A 81 -0.186 6.608 -8.857 1.00 0.00 C ATOM 1232 CG MET A 81 0.305 7.900 -9.520 1.00 0.00 C ATOM 1233 SD MET A 81 -0.846 8.389 -10.830 1.00 0.00 S ATOM 1234 CE MET A 81 -2.331 8.521 -9.804 1.00 0.00 C ATOM 0 H MET A 81 -0.576 4.607 -7.430 1.00 0.00 H new ATOM 0 HA MET A 81 1.641 6.379 -7.734 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.035 5.764 -9.530 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.257 6.673 -8.664 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.384 8.694 -8.777 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.302 7.751 -9.935 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.875 9.428 -10.066 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.969 7.654 -9.974 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.045 8.561 -8.753 1.00 0.00 H new ATOM 1244 N VAL A 82 -1.054 7.576 -6.181 1.00 0.00 N ATOM 1245 CA VAL A 82 -1.502 8.616 -5.244 1.00 0.00 C ATOM 1246 C VAL A 82 -0.802 8.486 -3.889 1.00 0.00 C ATOM 1247 O VAL A 82 -0.637 9.473 -3.180 1.00 0.00 O ATOM 1248 CB VAL A 82 -3.019 8.555 -5.020 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -3.746 8.883 -6.326 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -3.425 7.157 -4.545 1.00 0.00 C ATOM 0 H VAL A 82 -1.790 6.947 -6.502 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.242 9.573 -5.697 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.294 9.284 -4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.823 8.839 -6.164 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.469 9.885 -6.655 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.464 8.159 -7.091 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.503 7.125 -4.389 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.145 6.421 -5.299 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.916 6.929 -3.609 1.00 0.00 H new ATOM 1260 N ARG A 83 -0.399 7.258 -3.543 1.00 0.00 N ATOM 1261 CA ARG A 83 0.283 6.991 -2.268 1.00 0.00 C ATOM 1262 C ARG A 83 1.473 7.934 -2.056 1.00 0.00 C ATOM 1263 O ARG A 83 1.803 8.275 -0.918 1.00 0.00 O ATOM 1264 CB ARG A 83 0.798 5.547 -2.230 1.00 0.00 C ATOM 1265 CG ARG A 83 -0.320 4.607 -1.770 1.00 0.00 C ATOM 1266 CD ARG A 83 0.253 3.557 -0.814 1.00 0.00 C ATOM 1267 NE ARG A 83 -0.774 3.081 0.116 1.00 0.00 N ATOM 1268 CZ ARG A 83 -0.478 2.248 1.122 1.00 0.00 C ATOM 1269 NH1 ARG A 83 0.752 1.826 1.305 1.00 0.00 N ATOM 1270 NH2 ARG A 83 -1.426 1.848 1.931 1.00 0.00 N ATOM 0 H ARG A 83 -0.533 6.432 -4.127 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.447 7.154 -1.475 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.150 5.251 -3.218 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.649 5.473 -1.553 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.106 5.176 -1.273 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.776 4.119 -2.631 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.650 2.717 -1.385 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.086 3.984 -0.255 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.738 3.392 -0.006 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.495 2.133 0.677 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.964 1.192 2.075 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.384 2.171 1.793 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.207 1.214 2.699 1.00 0.00 H new ATOM 1284 N CYS A 84 2.110 8.351 -3.158 1.00 0.00 N ATOM 1285 CA CYS A 84 3.262 9.258 -3.071 1.00 0.00 C ATOM 1286 C CYS A 84 2.845 10.594 -2.456 1.00 0.00 C ATOM 1287 O CYS A 84 3.546 11.145 -1.606 1.00 0.00 O ATOM 1288 CB CYS A 84 3.857 9.513 -4.460 1.00 0.00 C ATOM 1289 SG CYS A 84 4.753 8.040 -5.015 1.00 0.00 S ATOM 0 H CYS A 84 1.852 8.080 -4.107 1.00 0.00 H new ATOM 0 HA CYS A 84 4.013 8.784 -2.439 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.064 9.757 -5.167 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.530 10.370 -4.427 1.00 0.00 H new ATOM 0 HG CYS A 84 5.255 8.256 -6.194 1.00 0.00 H new ATOM 1295 N MET A 85 1.690 11.099 -2.895 1.00 0.00 N ATOM 1296 CA MET A 85 1.166 12.368 -2.387 1.00 0.00 C ATOM 1297 C MET A 85 0.294 12.147 -1.146 1.00 0.00 C ATOM 1298 O MET A 85 0.190 13.031 -0.294 1.00 0.00 O ATOM 1299 CB MET A 85 0.327 13.053 -3.468 1.00 0.00 C ATOM 1300 CG MET A 85 0.314 14.565 -3.233 1.00 0.00 C ATOM 1301 SD MET A 85 -0.419 15.393 -4.666 1.00 0.00 S ATOM 1302 CE MET A 85 -1.082 16.830 -3.788 1.00 0.00 C ATOM 0 H MET A 85 1.102 10.651 -3.598 1.00 0.00 H new ATOM 0 HA MET A 85 2.014 12.997 -2.115 1.00 0.00 H new ATOM 0 HB2 MET A 85 0.737 12.832 -4.454 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.691 12.664 -3.452 1.00 0.00 H new ATOM 0 HG2 MET A 85 -0.256 14.799 -2.334 1.00 0.00 H new ATOM 0 HG3 MET A 85 1.329 14.927 -3.070 1.00 0.00 H new ATOM 0 HE1 MET A 85 -1.586 17.488 -4.496 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.793 16.498 -3.031 1.00 0.00 H new ATOM 0 HE3 MET A 85 -0.267 17.371 -3.308 1.00 0.00 H new ATOM 1312 N LYS A 86 -0.330 10.954 -1.073 1.00 0.00 N ATOM 1313 CA LYS A 86 -1.218 10.557 0.035 1.00 0.00 C ATOM 1314 C LYS A 86 -2.252 11.639 0.376 1.00 0.00 C ATOM 1315 O LYS A 86 -2.294 12.711 -0.231 1.00 0.00 O ATOM 1316 CB LYS A 86 -0.421 10.156 1.296 1.00 0.00 C ATOM 1317 CG LYS A 86 0.590 11.237 1.687 1.00 0.00 C ATOM 1318 CD LYS A 86 1.454 10.726 2.841 1.00 0.00 C ATOM 1319 CE LYS A 86 2.871 11.293 2.714 1.00 0.00 C ATOM 1320 NZ LYS A 86 3.654 10.478 1.740 1.00 0.00 N ATOM 0 H LYS A 86 -0.230 10.234 -1.788 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.763 9.681 -0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.109 9.984 2.123 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.101 9.216 1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.217 11.491 0.832 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.070 12.148 1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.017 11.023 3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.485 9.637 2.830 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.829 12.331 2.384 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.364 11.287 3.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.615 10.866 1.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.705 9.494 2.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.188 10.505 0.811 1.00 0.00 H new ATOM 1334 N ASP A 87 -3.107 11.324 1.347 1.00 0.00 N ATOM 1335 CA ASP A 87 -4.157 12.252 1.765 1.00 0.00 C ATOM 1336 C ASP A 87 -3.798 12.896 3.104 1.00 0.00 C ATOM 1337 O ASP A 87 -3.783 14.122 3.229 1.00 0.00 O ATOM 1338 CB ASP A 87 -5.496 11.516 1.897 1.00 0.00 C ATOM 1339 CG ASP A 87 -6.529 12.156 0.973 1.00 0.00 C ATOM 1340 OD1 ASP A 87 -6.544 11.812 -0.199 1.00 0.00 O ATOM 1341 OD2 ASP A 87 -7.294 12.977 1.453 1.00 0.00 O ATOM 0 H ASP A 87 -3.095 10.440 1.856 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.247 13.030 1.006 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.370 10.463 1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.843 11.556 2.929 1.00 0.00 H new ATOM 1346 N ASP A 88 -3.504 12.055 4.099 1.00 0.00 N ATOM 1347 CA ASP A 88 -3.139 12.548 5.428 1.00 0.00 C ATOM 1348 C ASP A 88 -2.443 11.447 6.231 1.00 0.00 C ATOM 1349 O ASP A 88 -3.094 10.584 6.825 1.00 0.00 O ATOM 1350 CB ASP A 88 -4.384 13.023 6.187 1.00 0.00 C ATOM 1351 CG ASP A 88 -4.001 14.157 7.134 1.00 0.00 C ATOM 1352 OD1 ASP A 88 -3.985 15.294 6.690 1.00 0.00 O ATOM 1353 OD2 ASP A 88 -3.730 13.872 8.289 1.00 0.00 O ATOM 0 H ASP A 88 -3.511 11.039 4.011 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.456 13.388 5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -5.144 13.363 5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.818 12.196 6.749 1.00 0.00 H new ATOM 1358 N SER A 89 -1.109 11.488 6.233 1.00 0.00 N ATOM 1359 CA SER A 89 -0.320 10.492 6.959 1.00 0.00 C ATOM 1360 C SER A 89 0.971 11.114 7.493 1.00 0.00 C ATOM 1361 O SER A 89 1.761 11.587 6.688 1.00 0.00 O ATOM 1362 CB SER A 89 0.024 9.310 6.046 1.00 0.00 C ATOM 1363 OG SER A 89 0.133 8.127 6.828 1.00 0.00 O ATOM 1364 OXT SER A 89 1.148 11.113 8.700 1.00 0.00 O ATOM 0 H SER A 89 -0.557 12.193 5.745 1.00 0.00 H new ATOM 0 HA SER A 89 -0.918 10.135 7.798 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.747 9.187 5.285 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.961 9.501 5.522 1.00 0.00 H new ATOM 0 HG SER A 89 0.351 7.369 6.246 1.00 0.00 H new TER 1370 SER A 89 HETATM 1371 CA CA A 90 -3.234 -7.473 -3.503 1.00 0.00 CA