USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 712 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 68 MET CE :methyl 176:sc= 0 (180deg=-0.00342) USER MOD Set 1.2: A 72 GLN : amide:sc=-0.00196 X(o=-0.002,f=-0.0034) USER MOD Set 2.1: A 7 SER OG : rot 61:sc= 1.18 USER MOD Set 2.2: A 56 GLN : amide:sc= -5.77! C(o=-4.6!,f=-15!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= -0.04 (180deg=-0.298) USER MOD Single : A 5 LYS NZ :NH3+ 152:sc= -1.35 (180deg=-3.22!) USER MOD Single : A 6 SER OG : rot 180:sc= -1.32 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -70:sc= 0.374 USER MOD Single : A 21 MET CE :methyl -173:sc= -9.65! (180deg=-10.5!) USER MOD Single : A 23 LYS NZ :NH3+ 162:sc=-0.00853 (180deg=-0.194) USER MOD Single : A 27 CYS SG : rot -140:sc= 0 USER MOD Single : A 30 SER OG : rot -76:sc= 0.0436 USER MOD Single : A 32 GLN : amide:sc= -0.197 K(o=-0.2,f=-2.3!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 143:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -5.99! C(o=-6!,f=-4.8!) USER MOD Single : A 57 CYS SG : rot 16:sc= 1.03 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -170:sc= 0 USER MOD Single : A 74 THR OG1 : rot -41:sc= 0.822 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.0651 K(o=-0.065,f=-1.2) USER MOD Single : A 82 SER OG : rot 61:sc= 1.12 USER MOD Single : A 83 MET CE :methyl 150:sc= -6.54! (180deg=-11.8!) USER MOD Single : A 89 ASN : amide:sc= -1.8 K(o=-1.8,f=-5!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.731 4.171 10.415 1.00 0.00 N ATOM 2 CA MET A 1 12.872 2.729 10.427 1.00 0.00 C ATOM 3 C MET A 1 11.751 2.091 9.619 1.00 0.00 C ATOM 4 O MET A 1 11.279 1.020 9.997 1.00 0.00 O ATOM 5 CB MET A 1 12.849 2.229 11.869 1.00 0.00 C ATOM 6 CG MET A 1 14.227 2.417 12.495 1.00 0.00 C ATOM 7 SD MET A 1 14.291 2.034 14.264 1.00 0.00 S ATOM 8 CE MET A 1 16.026 1.538 14.390 1.00 0.00 C ATOM 0 H1 MET A 1 13.084 4.562 11.312 1.00 0.00 H new ATOM 0 H2 MET A 1 13.279 4.567 9.625 1.00 0.00 H new ATOM 0 H3 MET A 1 11.728 4.421 10.300 1.00 0.00 H new ATOM 0 HA MET A 1 13.823 2.451 9.973 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.100 2.775 12.442 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.566 1.177 11.896 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.942 1.784 11.971 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.545 3.449 12.345 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.252 1.264 15.420 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.208 0.683 13.739 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.665 2.368 14.087 1.00 0.00 H new ATOM 20 N LEU A 2 11.354 2.747 8.539 1.00 0.00 N ATOM 21 CA LEU A 2 10.291 2.226 7.695 1.00 0.00 C ATOM 22 C LEU A 2 10.326 2.937 6.342 1.00 0.00 C ATOM 23 O LEU A 2 10.032 4.128 6.254 1.00 0.00 O ATOM 24 CB LEU A 2 8.942 2.329 8.410 1.00 0.00 C ATOM 25 CG LEU A 2 7.796 1.522 7.797 1.00 0.00 C ATOM 26 CD1 LEU A 2 7.503 0.269 8.624 1.00 0.00 C ATOM 27 CD2 LEU A 2 6.549 2.391 7.613 1.00 0.00 C ATOM 0 H LEU A 2 11.749 3.635 8.228 1.00 0.00 H new ATOM 0 HA LEU A 2 10.443 1.164 7.501 1.00 0.00 H new ATOM 0 HB2 LEU A 2 9.075 2.007 9.443 1.00 0.00 H new ATOM 0 HB3 LEU A 2 8.647 3.378 8.438 1.00 0.00 H new ATOM 0 HG LEU A 2 8.106 1.189 6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.684 -0.286 8.166 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.393 -0.360 8.659 1.00 0.00 H new ATOM 0 HD13 LEU A 2 7.223 0.559 9.637 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.750 1.793 7.176 1.00 0.00 H new ATOM 0 HD22 LEU A 2 6.227 2.775 8.581 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.781 3.225 6.951 1.00 0.00 H new ATOM 39 N VAL A 3 10.686 2.176 5.318 1.00 0.00 N ATOM 40 CA VAL A 3 10.762 2.718 3.972 1.00 0.00 C ATOM 41 C VAL A 3 10.530 1.594 2.960 1.00 0.00 C ATOM 42 O VAL A 3 10.537 0.418 3.321 1.00 0.00 O ATOM 43 CB VAL A 3 12.098 3.436 3.773 1.00 0.00 C ATOM 44 CG1 VAL A 3 12.226 3.969 2.344 1.00 0.00 C ATOM 45 CG2 VAL A 3 12.274 4.561 4.795 1.00 0.00 C ATOM 0 H VAL A 3 10.928 1.188 5.394 1.00 0.00 H new ATOM 0 HA VAL A 3 9.981 3.462 3.815 1.00 0.00 H new ATOM 0 HB VAL A 3 12.895 2.710 3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 3 13.185 4.475 2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 3 12.167 3.139 1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 3 11.418 4.673 2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 3 13.232 5.055 4.631 1.00 0.00 H new ATOM 0 HG22 VAL A 3 11.468 5.286 4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 3 12.248 4.145 5.802 1.00 0.00 H new ATOM 55 N ALA A 4 10.331 1.995 1.713 1.00 0.00 N ATOM 56 CA ALA A 4 10.098 1.036 0.647 1.00 0.00 C ATOM 57 C ALA A 4 8.901 0.156 1.011 1.00 0.00 C ATOM 58 O ALA A 4 9.071 -0.952 1.518 1.00 0.00 O ATOM 59 CB ALA A 4 11.370 0.220 0.407 1.00 0.00 C ATOM 0 H ALA A 4 10.326 2.971 1.417 1.00 0.00 H new ATOM 0 HA ALA A 4 9.859 1.549 -0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.195 -0.500 -0.393 1.00 0.00 H new ATOM 0 HB2 ALA A 4 12.183 0.888 0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.639 -0.311 1.320 1.00 0.00 H new ATOM 65 N LYS A 5 7.715 0.683 0.739 1.00 0.00 N ATOM 66 CA LYS A 5 6.491 -0.042 1.031 1.00 0.00 C ATOM 67 C LYS A 5 6.002 -0.744 -0.238 1.00 0.00 C ATOM 68 O LYS A 5 6.572 -0.558 -1.313 1.00 0.00 O ATOM 69 CB LYS A 5 5.452 0.893 1.654 1.00 0.00 C ATOM 70 CG LYS A 5 5.779 1.177 3.121 1.00 0.00 C ATOM 71 CD LYS A 5 5.335 0.018 4.016 1.00 0.00 C ATOM 72 CE LYS A 5 4.192 0.445 4.940 1.00 0.00 C ATOM 73 NZ LYS A 5 4.458 0.008 6.329 1.00 0.00 N ATOM 0 H LYS A 5 7.577 1.603 0.320 1.00 0.00 H new ATOM 0 HA LYS A 5 6.676 -0.818 1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.420 1.829 1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.462 0.444 1.579 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.851 1.338 3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.284 2.095 3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.014 -0.821 3.398 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.179 -0.330 4.612 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.077 1.528 4.909 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.254 0.015 4.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.988 0.656 6.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.090 -0.955 6.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.483 0.015 6.505 1.00 0.00 H new ATOM 87 N SER A 6 4.954 -1.536 -0.072 1.00 0.00 N ATOM 88 CA SER A 6 4.383 -2.267 -1.190 1.00 0.00 C ATOM 89 C SER A 6 2.903 -2.552 -0.928 1.00 0.00 C ATOM 90 O SER A 6 2.415 -2.347 0.181 1.00 0.00 O ATOM 91 CB SER A 6 5.140 -3.574 -1.438 1.00 0.00 C ATOM 92 OG SER A 6 5.920 -3.521 -2.629 1.00 0.00 O ATOM 0 H SER A 6 4.485 -1.688 0.821 1.00 0.00 H new ATOM 0 HA SER A 6 4.475 -1.650 -2.084 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.790 -3.784 -0.588 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.429 -4.397 -1.507 1.00 0.00 H new ATOM 0 HG SER A 6 6.389 -4.373 -2.751 1.00 0.00 H new ATOM 98 N SER A 7 2.231 -3.020 -1.970 1.00 0.00 N ATOM 99 CA SER A 7 0.816 -3.336 -1.867 1.00 0.00 C ATOM 100 C SER A 7 0.499 -4.589 -2.683 1.00 0.00 C ATOM 101 O SER A 7 1.134 -4.848 -3.703 1.00 0.00 O ATOM 102 CB SER A 7 -0.046 -2.163 -2.339 1.00 0.00 C ATOM 103 OG SER A 7 -1.433 -2.485 -2.339 1.00 0.00 O ATOM 0 H SER A 7 2.640 -3.188 -2.889 1.00 0.00 H new ATOM 0 HA SER A 7 0.583 -3.524 -0.819 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.126 -1.303 -1.692 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.258 -1.871 -3.344 1.00 0.00 H new ATOM 0 HG SER A 7 -1.717 -2.707 -1.428 1.00 0.00 H new ATOM 109 N ILE A 8 -0.485 -5.336 -2.203 1.00 0.00 N ATOM 110 CA ILE A 8 -0.895 -6.558 -2.874 1.00 0.00 C ATOM 111 C ILE A 8 -2.417 -6.687 -2.806 1.00 0.00 C ATOM 112 O ILE A 8 -3.001 -6.628 -1.725 1.00 0.00 O ATOM 113 CB ILE A 8 -0.149 -7.763 -2.297 1.00 0.00 C ATOM 114 CG1 ILE A 8 1.316 -7.766 -2.740 1.00 0.00 C ATOM 115 CG2 ILE A 8 -0.859 -9.070 -2.656 1.00 0.00 C ATOM 116 CD1 ILE A 8 2.245 -7.462 -1.564 1.00 0.00 C ATOM 0 H ILE A 8 -1.011 -5.118 -1.356 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.625 -6.521 -3.929 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.156 -7.680 -1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.569 -8.737 -3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.464 -7.025 -3.526 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.309 -9.911 -2.234 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.870 -9.058 -2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.904 -9.173 -3.740 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.280 -7.470 -1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.006 -6.480 -1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.113 -8.219 -0.791 1.00 0.00 H new ATOM 128 N LEU A 9 -3.017 -6.859 -3.975 1.00 0.00 N ATOM 129 CA LEU A 9 -4.462 -6.996 -4.061 1.00 0.00 C ATOM 130 C LEU A 9 -4.829 -8.482 -4.074 1.00 0.00 C ATOM 131 O LEU A 9 -4.176 -9.280 -4.746 1.00 0.00 O ATOM 132 CB LEU A 9 -5.003 -6.218 -5.262 1.00 0.00 C ATOM 133 CG LEU A 9 -6.525 -6.114 -5.364 1.00 0.00 C ATOM 134 CD1 LEU A 9 -7.059 -4.990 -4.473 1.00 0.00 C ATOM 135 CD2 LEU A 9 -6.969 -5.952 -6.819 1.00 0.00 C ATOM 0 H LEU A 9 -2.530 -6.907 -4.870 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.940 -6.557 -3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.591 -5.209 -5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.629 -6.687 -6.172 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.955 -7.047 -4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.144 -4.938 -4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.791 -5.190 -3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.623 -4.041 -4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.056 -5.881 -6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.529 -5.046 -7.235 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.639 -6.814 -7.398 1.00 0.00 H new ATOM 147 N LEU A 10 -5.871 -8.808 -3.325 1.00 0.00 N ATOM 148 CA LEU A 10 -6.333 -10.183 -3.242 1.00 0.00 C ATOM 149 C LEU A 10 -7.811 -10.244 -3.631 1.00 0.00 C ATOM 150 O LEU A 10 -8.509 -9.232 -3.595 1.00 0.00 O ATOM 151 CB LEU A 10 -6.036 -10.765 -1.858 1.00 0.00 C ATOM 152 CG LEU A 10 -4.969 -11.860 -1.807 1.00 0.00 C ATOM 153 CD1 LEU A 10 -3.565 -11.263 -1.925 1.00 0.00 C ATOM 154 CD2 LEU A 10 -5.123 -12.717 -0.549 1.00 0.00 C ATOM 0 H LEU A 10 -6.409 -8.143 -2.769 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.791 -10.811 -3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.725 -9.951 -1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.962 -11.168 -1.449 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.113 -12.517 -2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.825 -12.063 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.474 -10.731 -2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.394 -10.570 -1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.352 -13.488 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.020 -12.088 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.106 -13.187 -0.547 1.00 0.00 H new ATOM 166 N ASP A 11 -8.246 -11.442 -3.993 1.00 0.00 N ATOM 167 CA ASP A 11 -9.628 -11.649 -4.388 1.00 0.00 C ATOM 168 C ASP A 11 -10.068 -13.054 -3.973 1.00 0.00 C ATOM 169 O ASP A 11 -9.799 -14.027 -4.678 1.00 0.00 O ATOM 170 CB ASP A 11 -9.791 -11.532 -5.905 1.00 0.00 C ATOM 171 CG ASP A 11 -11.096 -10.880 -6.367 1.00 0.00 C ATOM 172 OD1 ASP A 11 -12.154 -11.057 -5.746 1.00 0.00 O ATOM 173 OD2 ASP A 11 -10.996 -10.151 -7.427 1.00 0.00 O ATOM 0 H ASP A 11 -7.665 -12.280 -4.021 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.235 -10.887 -3.900 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.955 -10.957 -6.302 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.727 -12.529 -6.340 1.00 0.00 H new ATOM 178 N VAL A 12 -10.737 -13.117 -2.831 1.00 0.00 N ATOM 179 CA VAL A 12 -11.216 -14.387 -2.314 1.00 0.00 C ATOM 180 C VAL A 12 -12.714 -14.516 -2.598 1.00 0.00 C ATOM 181 O VAL A 12 -13.425 -13.515 -2.668 1.00 0.00 O ATOM 182 CB VAL A 12 -10.878 -14.508 -0.826 1.00 0.00 C ATOM 183 CG1 VAL A 12 -11.356 -15.847 -0.262 1.00 0.00 C ATOM 184 CG2 VAL A 12 -9.379 -14.315 -0.588 1.00 0.00 C ATOM 0 H VAL A 12 -10.958 -12.309 -2.249 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.717 -15.216 -2.816 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.406 -13.715 -0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.103 -15.907 0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.436 -15.928 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.869 -16.662 -0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.165 -14.406 0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.823 -15.076 -1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.080 -13.326 -0.935 1.00 0.00 H new ATOM 194 N LYS A 13 -13.150 -15.758 -2.754 1.00 0.00 N ATOM 195 CA LYS A 13 -14.550 -16.031 -3.029 1.00 0.00 C ATOM 196 C LYS A 13 -15.188 -16.686 -1.803 1.00 0.00 C ATOM 197 O LYS A 13 -14.575 -17.536 -1.159 1.00 0.00 O ATOM 198 CB LYS A 13 -14.693 -16.854 -4.311 1.00 0.00 C ATOM 199 CG LYS A 13 -15.825 -16.311 -5.187 1.00 0.00 C ATOM 200 CD LYS A 13 -15.428 -16.323 -6.664 1.00 0.00 C ATOM 201 CE LYS A 13 -16.664 -16.267 -7.565 1.00 0.00 C ATOM 202 NZ LYS A 13 -16.479 -17.128 -8.754 1.00 0.00 N ATOM 0 H LYS A 13 -12.558 -16.586 -2.695 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.091 -15.102 -3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.756 -16.833 -4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.891 -17.896 -4.059 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.722 -16.913 -5.043 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.071 -15.294 -4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.780 -15.473 -6.877 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.855 -17.224 -6.883 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -17.543 -16.591 -7.007 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.847 -15.239 -7.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -17.327 -17.078 -9.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.653 -16.801 -9.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -16.327 -18.111 -8.451 1.00 0.00 H new ATOM 216 N PRO A 14 -16.444 -16.256 -1.510 1.00 0.00 N ATOM 217 CA PRO A 14 -17.172 -16.791 -0.372 1.00 0.00 C ATOM 218 C PRO A 14 -17.687 -18.202 -0.665 1.00 0.00 C ATOM 219 O PRO A 14 -17.783 -18.603 -1.824 1.00 0.00 O ATOM 220 CB PRO A 14 -18.288 -15.794 -0.113 1.00 0.00 C ATOM 221 CG PRO A 14 -18.428 -14.985 -1.393 1.00 0.00 C ATOM 222 CD PRO A 14 -17.202 -15.251 -2.249 1.00 0.00 C ATOM 0 HA PRO A 14 -16.545 -16.904 0.512 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -19.220 -16.305 0.130 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -18.048 -15.149 0.732 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.335 -15.269 -1.927 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.511 -13.922 -1.166 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.481 -15.614 -3.238 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.617 -14.343 -2.396 1.00 0.00 H new ATOM 230 N TRP A 15 -18.005 -18.917 0.405 1.00 0.00 N ATOM 231 CA TRP A 15 -18.508 -20.274 0.276 1.00 0.00 C ATOM 232 C TRP A 15 -19.954 -20.197 -0.218 1.00 0.00 C ATOM 233 O TRP A 15 -20.385 -21.025 -1.018 1.00 0.00 O ATOM 234 CB TRP A 15 -18.366 -21.038 1.594 1.00 0.00 C ATOM 235 CG TRP A 15 -17.157 -21.975 1.642 1.00 0.00 C ATOM 236 CD1 TRP A 15 -16.194 -22.031 2.572 1.00 0.00 C ATOM 237 CD2 TRP A 15 -16.820 -22.994 0.678 1.00 0.00 C ATOM 238 NE1 TRP A 15 -15.264 -23.008 2.279 1.00 0.00 N ATOM 239 CE2 TRP A 15 -15.657 -23.612 1.091 1.00 0.00 C ATOM 240 CE3 TRP A 15 -17.475 -23.380 -0.505 1.00 0.00 C ATOM 241 CZ2 TRP A 15 -15.048 -24.654 0.379 1.00 0.00 C ATOM 242 CZ3 TRP A 15 -16.854 -24.422 -1.204 1.00 0.00 C ATOM 243 CH2 TRP A 15 -15.684 -25.055 -0.802 1.00 0.00 C ATOM 0 H TRP A 15 -17.924 -18.582 1.365 1.00 0.00 H new ATOM 0 HA TRP A 15 -17.922 -20.836 -0.451 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -18.290 -20.321 2.412 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -19.271 -21.621 1.764 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.151 -21.392 3.442 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -14.440 -23.243 2.833 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -18.385 -22.910 -0.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -14.137 -25.122 0.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.317 -24.758 -2.120 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -15.267 -25.853 -1.398 1.00 0.00 H new ATOM 254 N ASP A 16 -20.664 -19.195 0.281 1.00 0.00 N ATOM 255 CA ASP A 16 -22.053 -19.000 -0.100 1.00 0.00 C ATOM 256 C ASP A 16 -22.470 -17.566 0.230 1.00 0.00 C ATOM 257 O ASP A 16 -21.677 -16.792 0.764 1.00 0.00 O ATOM 258 CB ASP A 16 -22.973 -19.949 0.671 1.00 0.00 C ATOM 259 CG ASP A 16 -23.473 -21.155 -0.129 1.00 0.00 C ATOM 260 OD1 ASP A 16 -24.332 -20.880 -1.050 1.00 0.00 O ATOM 261 OD2 ASP A 16 -23.063 -22.298 0.118 1.00 0.00 O ATOM 0 H ASP A 16 -20.304 -18.510 0.945 1.00 0.00 H new ATOM 0 HA ASP A 16 -22.142 -19.199 -1.168 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.442 -20.311 1.552 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -23.835 -19.386 1.028 1.00 0.00 H new ATOM 266 N ASP A 17 -23.715 -17.255 -0.102 1.00 0.00 N ATOM 267 CA ASP A 17 -24.247 -15.927 0.153 1.00 0.00 C ATOM 268 C ASP A 17 -24.217 -15.649 1.657 1.00 0.00 C ATOM 269 O ASP A 17 -24.005 -14.513 2.078 1.00 0.00 O ATOM 270 CB ASP A 17 -25.698 -15.816 -0.319 1.00 0.00 C ATOM 271 CG ASP A 17 -26.541 -14.775 0.420 1.00 0.00 C ATOM 272 OD1 ASP A 17 -27.064 -15.036 1.514 1.00 0.00 O ATOM 273 OD2 ASP A 17 -26.654 -13.638 -0.181 1.00 0.00 O ATOM 0 H ASP A 17 -24.370 -17.899 -0.545 1.00 0.00 H new ATOM 0 HA ASP A 17 -23.634 -15.208 -0.391 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -25.701 -15.575 -1.382 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -26.175 -16.790 -0.211 1.00 0.00 H new ATOM 278 N GLU A 18 -24.432 -16.707 2.426 1.00 0.00 N ATOM 279 CA GLU A 18 -24.432 -16.590 3.875 1.00 0.00 C ATOM 280 C GLU A 18 -23.104 -16.007 4.360 1.00 0.00 C ATOM 281 O GLU A 18 -23.061 -15.311 5.374 1.00 0.00 O ATOM 282 CB GLU A 18 -24.709 -17.943 4.533 1.00 0.00 C ATOM 283 CG GLU A 18 -23.648 -18.973 4.140 1.00 0.00 C ATOM 284 CD GLU A 18 -23.968 -20.346 4.732 1.00 0.00 C ATOM 285 OE1 GLU A 18 -24.457 -20.432 5.868 1.00 0.00 O ATOM 286 OE2 GLU A 18 -23.694 -21.348 3.967 1.00 0.00 O ATOM 0 H GLU A 18 -24.607 -17.648 2.074 1.00 0.00 H new ATOM 0 HA GLU A 18 -25.233 -15.910 4.166 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -24.725 -17.828 5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -25.695 -18.300 4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -23.592 -19.046 3.054 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -22.669 -18.643 4.488 1.00 0.00 H new ATOM 293 N THR A 19 -22.053 -16.311 3.614 1.00 0.00 N ATOM 294 CA THR A 19 -20.727 -15.824 3.956 1.00 0.00 C ATOM 295 C THR A 19 -20.790 -14.356 4.381 1.00 0.00 C ATOM 296 O THR A 19 -20.830 -13.462 3.537 1.00 0.00 O ATOM 297 CB THR A 19 -19.808 -16.070 2.757 1.00 0.00 C ATOM 298 OG1 THR A 19 -19.782 -17.489 2.626 1.00 0.00 O ATOM 299 CG2 THR A 19 -18.354 -15.694 3.046 1.00 0.00 C ATOM 0 H THR A 19 -22.092 -16.888 2.774 1.00 0.00 H new ATOM 0 HA THR A 19 -20.319 -16.360 4.813 1.00 0.00 H new ATOM 0 HB THR A 19 -20.166 -15.498 1.901 1.00 0.00 H new ATOM 0 HG1 THR A 19 -19.284 -17.878 3.375 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.746 -15.888 2.163 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.296 -14.636 3.301 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.983 -16.290 3.880 1.00 0.00 H new ATOM 307 N ASP A 20 -20.797 -14.152 5.691 1.00 0.00 N ATOM 308 CA ASP A 20 -20.856 -12.808 6.239 1.00 0.00 C ATOM 309 C ASP A 20 -19.825 -11.928 5.530 1.00 0.00 C ATOM 310 O ASP A 20 -18.655 -11.904 5.913 1.00 0.00 O ATOM 311 CB ASP A 20 -20.530 -12.807 7.734 1.00 0.00 C ATOM 312 CG ASP A 20 -21.333 -11.810 8.570 1.00 0.00 C ATOM 313 OD1 ASP A 20 -21.417 -10.618 8.238 1.00 0.00 O ATOM 314 OD2 ASP A 20 -21.897 -12.308 9.619 1.00 0.00 O ATOM 0 H ASP A 20 -20.763 -14.896 6.388 1.00 0.00 H new ATOM 0 HA ASP A 20 -21.867 -12.427 6.091 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -20.700 -13.809 8.128 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -19.469 -12.591 7.859 1.00 0.00 H new ATOM 319 N MET A 21 -20.294 -11.225 4.509 1.00 0.00 N ATOM 320 CA MET A 21 -19.426 -10.346 3.745 1.00 0.00 C ATOM 321 C MET A 21 -18.841 -9.244 4.631 1.00 0.00 C ATOM 322 O MET A 21 -17.711 -8.809 4.421 1.00 0.00 O ATOM 323 CB MET A 21 -20.222 -9.714 2.600 1.00 0.00 C ATOM 324 CG MET A 21 -20.107 -10.549 1.324 1.00 0.00 C ATOM 325 SD MET A 21 -19.085 -9.704 0.130 1.00 0.00 S ATOM 326 CE MET A 21 -18.720 -11.054 -0.978 1.00 0.00 C ATOM 0 H MET A 21 -21.264 -11.247 4.194 1.00 0.00 H new ATOM 0 HA MET A 21 -18.602 -10.937 3.345 1.00 0.00 H new ATOM 0 HB2 MET A 21 -21.270 -9.625 2.887 1.00 0.00 H new ATOM 0 HB3 MET A 21 -19.856 -8.705 2.412 1.00 0.00 H new ATOM 0 HG2 MET A 21 -19.679 -11.524 1.555 1.00 0.00 H new ATOM 0 HG3 MET A 21 -21.098 -10.727 0.906 1.00 0.00 H new ATOM 0 HE1 MET A 21 -17.987 -10.730 -1.717 1.00 0.00 H new ATOM 0 HE2 MET A 21 -18.316 -11.892 -0.410 1.00 0.00 H new ATOM 0 HE3 MET A 21 -19.633 -11.366 -1.485 1.00 0.00 H new ATOM 336 N ALA A 22 -19.639 -8.827 5.603 1.00 0.00 N ATOM 337 CA ALA A 22 -19.215 -7.784 6.523 1.00 0.00 C ATOM 338 C ALA A 22 -18.099 -8.325 7.419 1.00 0.00 C ATOM 339 O ALA A 22 -17.151 -7.607 7.736 1.00 0.00 O ATOM 340 CB ALA A 22 -20.420 -7.290 7.326 1.00 0.00 C ATOM 0 H ALA A 22 -20.576 -9.192 5.774 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.815 -6.929 5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.102 -6.508 8.016 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -21.171 -6.890 6.645 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -20.846 -8.120 7.890 1.00 0.00 H new ATOM 346 N LYS A 23 -18.248 -9.584 7.802 1.00 0.00 N ATOM 347 CA LYS A 23 -17.264 -10.228 8.654 1.00 0.00 C ATOM 348 C LYS A 23 -16.009 -10.538 7.836 1.00 0.00 C ATOM 349 O LYS A 23 -14.902 -10.171 8.227 1.00 0.00 O ATOM 350 CB LYS A 23 -17.870 -11.455 9.340 1.00 0.00 C ATOM 351 CG LYS A 23 -17.279 -11.651 10.737 1.00 0.00 C ATOM 352 CD LYS A 23 -18.348 -11.466 11.816 1.00 0.00 C ATOM 353 CE LYS A 23 -17.716 -11.075 13.153 1.00 0.00 C ATOM 354 NZ LYS A 23 -17.250 -9.671 13.115 1.00 0.00 N ATOM 0 H LYS A 23 -19.036 -10.176 7.538 1.00 0.00 H new ATOM 0 HA LYS A 23 -16.962 -9.558 9.459 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -18.951 -11.339 9.412 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.685 -12.343 8.735 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -16.846 -12.648 10.816 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.469 -10.939 10.896 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.054 -10.696 11.505 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -18.914 -12.390 11.934 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.442 -11.202 13.956 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.878 -11.737 13.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.110 -9.325 14.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.351 -9.618 12.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -17.962 -9.082 12.637 1.00 0.00 H new ATOM 368 N LEU A 24 -16.225 -11.211 6.715 1.00 0.00 N ATOM 369 CA LEU A 24 -15.124 -11.574 5.837 1.00 0.00 C ATOM 370 C LEU A 24 -14.324 -10.320 5.483 1.00 0.00 C ATOM 371 O LEU A 24 -13.095 -10.351 5.456 1.00 0.00 O ATOM 372 CB LEU A 24 -15.643 -12.338 4.617 1.00 0.00 C ATOM 373 CG LEU A 24 -14.900 -13.630 4.270 1.00 0.00 C ATOM 374 CD1 LEU A 24 -15.619 -14.394 3.156 1.00 0.00 C ATOM 375 CD2 LEU A 24 -13.439 -13.343 3.915 1.00 0.00 C ATOM 0 H LEU A 24 -17.145 -11.514 6.394 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.440 -12.255 6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -16.693 -12.579 4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.602 -11.675 3.753 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.899 -14.271 5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -15.070 -15.308 2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.628 -14.648 3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.672 -13.771 2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.933 -14.278 3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.398 -12.674 3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.944 -12.872 4.764 1.00 0.00 H new ATOM 387 N GLU A 25 -15.055 -9.245 5.221 1.00 0.00 N ATOM 388 CA GLU A 25 -14.428 -7.982 4.871 1.00 0.00 C ATOM 389 C GLU A 25 -13.815 -7.331 6.111 1.00 0.00 C ATOM 390 O GLU A 25 -12.695 -6.824 6.062 1.00 0.00 O ATOM 391 CB GLU A 25 -15.429 -7.042 4.195 1.00 0.00 C ATOM 392 CG GLU A 25 -14.719 -5.835 3.581 1.00 0.00 C ATOM 393 CD GLU A 25 -15.491 -4.543 3.862 1.00 0.00 C ATOM 394 OE1 GLU A 25 -15.699 -4.188 5.031 1.00 0.00 O ATOM 395 OE2 GLU A 25 -15.878 -3.901 2.813 1.00 0.00 O ATOM 0 H GLU A 25 -16.075 -9.223 5.244 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.628 -8.181 4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -15.973 -7.581 3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.165 -6.703 4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.711 -5.756 3.988 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.619 -5.976 2.505 1.00 0.00 H new ATOM 402 N GLU A 26 -14.576 -7.364 7.195 1.00 0.00 N ATOM 403 CA GLU A 26 -14.122 -6.783 8.448 1.00 0.00 C ATOM 404 C GLU A 26 -12.869 -7.506 8.944 1.00 0.00 C ATOM 405 O GLU A 26 -11.819 -6.888 9.121 1.00 0.00 O ATOM 406 CB GLU A 26 -15.230 -6.818 9.502 1.00 0.00 C ATOM 407 CG GLU A 26 -16.243 -5.695 9.271 1.00 0.00 C ATOM 408 CD GLU A 26 -15.894 -4.462 10.108 1.00 0.00 C ATOM 409 OE1 GLU A 26 -16.132 -4.452 11.325 1.00 0.00 O ATOM 410 OE2 GLU A 26 -15.356 -3.491 9.452 1.00 0.00 O ATOM 0 H GLU A 26 -15.505 -7.784 7.232 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.868 -5.738 8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.737 -7.782 9.470 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.794 -6.720 10.496 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.261 -5.428 8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.243 -6.043 9.529 1.00 0.00 H new ATOM 417 N CYS A 27 -13.019 -8.806 9.156 1.00 0.00 N ATOM 418 CA CYS A 27 -11.912 -9.619 9.629 1.00 0.00 C ATOM 419 C CYS A 27 -10.652 -9.211 8.862 1.00 0.00 C ATOM 420 O CYS A 27 -9.663 -8.796 9.463 1.00 0.00 O ATOM 421 CB CYS A 27 -12.207 -11.114 9.486 1.00 0.00 C ATOM 422 SG CYS A 27 -11.942 -11.960 11.087 1.00 0.00 S ATOM 0 H CYS A 27 -13.890 -9.316 9.009 1.00 0.00 H new ATOM 0 HA CYS A 27 -11.760 -9.445 10.694 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.235 -11.260 9.154 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -11.561 -11.549 8.724 1.00 0.00 H new ATOM 0 HG CYS A 27 -11.371 -13.109 10.881 1.00 0.00 H new ATOM 428 N VAL A 28 -10.731 -9.341 7.545 1.00 0.00 N ATOM 429 CA VAL A 28 -9.610 -8.991 6.690 1.00 0.00 C ATOM 430 C VAL A 28 -8.963 -7.705 7.207 1.00 0.00 C ATOM 431 O VAL A 28 -7.748 -7.649 7.396 1.00 0.00 O ATOM 432 CB VAL A 28 -10.074 -8.884 5.237 1.00 0.00 C ATOM 433 CG1 VAL A 28 -8.982 -8.274 4.356 1.00 0.00 C ATOM 434 CG2 VAL A 28 -10.515 -10.248 4.700 1.00 0.00 C ATOM 0 H VAL A 28 -11.554 -9.684 7.050 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.850 -9.772 6.718 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.937 -8.219 5.209 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.338 -8.209 3.328 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.737 -7.276 4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.092 -8.902 4.393 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.840 -10.144 3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.679 -10.946 4.749 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.340 -10.627 5.303 1.00 0.00 H new ATOM 444 N ARG A 29 -9.802 -6.702 7.420 1.00 0.00 N ATOM 445 CA ARG A 29 -9.327 -5.420 7.912 1.00 0.00 C ATOM 446 C ARG A 29 -8.801 -5.561 9.343 1.00 0.00 C ATOM 447 O ARG A 29 -7.708 -5.092 9.654 1.00 0.00 O ATOM 448 CB ARG A 29 -10.442 -4.373 7.887 1.00 0.00 C ATOM 449 CG ARG A 29 -9.967 -3.082 7.217 1.00 0.00 C ATOM 450 CD ARG A 29 -10.951 -2.632 6.134 1.00 0.00 C ATOM 451 NE ARG A 29 -10.950 -1.156 6.032 1.00 0.00 N ATOM 452 CZ ARG A 29 -11.892 -0.447 5.395 1.00 0.00 C ATOM 453 NH1 ARG A 29 -12.916 -1.074 4.802 1.00 0.00 N ATOM 454 NH2 ARG A 29 -11.810 0.890 5.354 1.00 0.00 N ATOM 0 H ARG A 29 -10.808 -6.751 7.261 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.521 -5.092 7.256 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.305 -4.768 7.352 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.768 -4.160 8.905 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.861 -2.297 7.966 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.982 -3.238 6.777 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.675 -3.071 5.175 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.954 -2.988 6.371 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.185 -0.646 6.474 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.979 -2.092 4.835 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.633 -0.534 4.317 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.031 1.367 5.807 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.527 1.430 4.869 1.00 0.00 H new ATOM 468 N SER A 30 -9.604 -6.210 10.173 1.00 0.00 N ATOM 469 CA SER A 30 -9.234 -6.418 11.562 1.00 0.00 C ATOM 470 C SER A 30 -7.793 -6.925 11.649 1.00 0.00 C ATOM 471 O SER A 30 -6.995 -6.406 12.429 1.00 0.00 O ATOM 472 CB SER A 30 -10.184 -7.404 12.244 1.00 0.00 C ATOM 473 OG SER A 30 -9.581 -8.681 12.439 1.00 0.00 O ATOM 0 H SER A 30 -10.510 -6.599 9.910 1.00 0.00 H new ATOM 0 HA SER A 30 -9.310 -5.463 12.082 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.495 -7.000 13.207 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.084 -7.517 11.640 1.00 0.00 H new ATOM 0 HG SER A 30 -9.556 -9.164 11.587 1.00 0.00 H new ATOM 479 N ILE A 31 -7.502 -7.931 10.837 1.00 0.00 N ATOM 480 CA ILE A 31 -6.172 -8.512 10.812 1.00 0.00 C ATOM 481 C ILE A 31 -5.130 -7.396 10.904 1.00 0.00 C ATOM 482 O ILE A 31 -5.195 -6.418 10.161 1.00 0.00 O ATOM 483 CB ILE A 31 -6.003 -9.411 9.585 1.00 0.00 C ATOM 484 CG1 ILE A 31 -6.967 -10.597 9.637 1.00 0.00 C ATOM 485 CG2 ILE A 31 -4.548 -9.861 9.432 1.00 0.00 C ATOM 486 CD1 ILE A 31 -6.873 -11.436 8.361 1.00 0.00 C ATOM 0 H ILE A 31 -8.166 -8.358 10.191 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.023 -9.159 11.676 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.256 -8.830 8.698 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.738 -11.218 10.503 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.987 -10.236 9.765 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.455 -10.499 8.553 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.907 -8.987 9.316 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.244 -10.418 10.318 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.569 -12.273 8.424 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.126 -10.818 7.500 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.857 -11.816 8.249 1.00 0.00 H new ATOM 498 N GLN A 32 -4.193 -7.578 11.824 1.00 0.00 N ATOM 499 CA GLN A 32 -3.139 -6.599 12.024 1.00 0.00 C ATOM 500 C GLN A 32 -1.793 -7.299 12.215 1.00 0.00 C ATOM 501 O GLN A 32 -1.730 -8.385 12.790 1.00 0.00 O ATOM 502 CB GLN A 32 -3.456 -5.687 13.211 1.00 0.00 C ATOM 503 CG GLN A 32 -2.955 -4.263 12.958 1.00 0.00 C ATOM 504 CD GLN A 32 -4.029 -3.417 12.273 1.00 0.00 C ATOM 505 OE1 GLN A 32 -5.181 -3.805 12.155 1.00 0.00 O ATOM 506 NE2 GLN A 32 -3.592 -2.242 11.829 1.00 0.00 N ATOM 0 H GLN A 32 -4.143 -8.390 12.439 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.078 -5.974 11.133 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.532 -5.672 13.386 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.992 -6.085 14.114 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.671 -3.800 13.903 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.060 -4.294 12.336 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.615 -1.978 11.960 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.233 -1.604 11.357 1.00 0.00 H new ATOM 515 N ALA A 33 -0.748 -6.649 11.723 1.00 0.00 N ATOM 516 CA ALA A 33 0.593 -7.196 11.834 1.00 0.00 C ATOM 517 C ALA A 33 1.614 -6.064 11.698 1.00 0.00 C ATOM 518 O ALA A 33 1.259 -4.946 11.331 1.00 0.00 O ATOM 519 CB ALA A 33 0.789 -8.286 10.778 1.00 0.00 C ATOM 0 H ALA A 33 -0.803 -5.749 11.247 1.00 0.00 H new ATOM 0 HA ALA A 33 0.739 -7.657 12.811 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.795 -8.696 10.861 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.059 -9.080 10.935 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.652 -7.859 9.785 1.00 0.00 H new ATOM 525 N ASP A 34 2.861 -6.396 12.002 1.00 0.00 N ATOM 526 CA ASP A 34 3.935 -5.420 11.920 1.00 0.00 C ATOM 527 C ASP A 34 4.202 -5.086 10.450 1.00 0.00 C ATOM 528 O ASP A 34 4.067 -5.945 9.580 1.00 0.00 O ATOM 529 CB ASP A 34 5.228 -5.973 12.521 1.00 0.00 C ATOM 530 CG ASP A 34 6.448 -5.062 12.380 1.00 0.00 C ATOM 531 OD1 ASP A 34 6.551 -4.022 13.048 1.00 0.00 O ATOM 532 OD2 ASP A 34 7.331 -5.462 11.529 1.00 0.00 O ATOM 0 H ASP A 34 3.151 -7.326 12.305 1.00 0.00 H new ATOM 0 HA ASP A 34 3.629 -4.534 12.476 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.063 -6.172 13.580 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.451 -6.929 12.048 1.00 0.00 H new ATOM 537 N GLY A 35 4.577 -3.837 10.219 1.00 0.00 N ATOM 538 CA GLY A 35 4.864 -3.379 8.871 1.00 0.00 C ATOM 539 C GLY A 35 3.723 -3.733 7.916 1.00 0.00 C ATOM 540 O GLY A 35 3.919 -3.796 6.704 1.00 0.00 O ATOM 0 H GLY A 35 4.689 -3.128 10.943 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.018 -2.300 8.875 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.791 -3.832 8.519 1.00 0.00 H new ATOM 544 N LEU A 36 2.553 -3.957 8.499 1.00 0.00 N ATOM 545 CA LEU A 36 1.380 -4.304 7.715 1.00 0.00 C ATOM 546 C LEU A 36 0.400 -3.129 7.726 1.00 0.00 C ATOM 547 O LEU A 36 0.147 -2.537 8.774 1.00 0.00 O ATOM 548 CB LEU A 36 0.773 -5.616 8.213 1.00 0.00 C ATOM 549 CG LEU A 36 -0.593 -5.987 7.630 1.00 0.00 C ATOM 550 CD1 LEU A 36 -0.492 -6.262 6.129 1.00 0.00 C ATOM 551 CD2 LEU A 36 -1.212 -7.162 8.388 1.00 0.00 C ATOM 0 H LEU A 36 2.393 -3.905 9.505 1.00 0.00 H new ATOM 0 HA LEU A 36 1.654 -4.481 6.675 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.471 -6.423 7.993 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.680 -5.562 9.298 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.261 -5.135 7.757 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.476 -6.523 5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.125 -5.371 5.620 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.198 -7.088 5.956 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.182 -7.405 7.953 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.555 -8.028 8.316 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.342 -6.891 9.436 1.00 0.00 H new ATOM 563 N VAL A 37 -0.126 -2.827 6.547 1.00 0.00 N ATOM 564 CA VAL A 37 -1.072 -1.734 6.407 1.00 0.00 C ATOM 565 C VAL A 37 -2.305 -2.227 5.648 1.00 0.00 C ATOM 566 O VAL A 37 -2.185 -2.990 4.690 1.00 0.00 O ATOM 567 CB VAL A 37 -0.395 -0.538 5.737 1.00 0.00 C ATOM 568 CG1 VAL A 37 -1.428 0.375 5.071 1.00 0.00 C ATOM 569 CG2 VAL A 37 0.460 0.241 6.737 1.00 0.00 C ATOM 0 H VAL A 37 0.086 -3.321 5.680 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.408 -1.392 7.386 1.00 0.00 H new ATOM 0 HB VAL A 37 0.266 -0.921 4.959 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.920 1.218 4.602 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.975 -0.186 4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.125 0.744 5.823 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.930 1.086 6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.170 0.606 7.548 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.231 -0.413 7.144 1.00 0.00 H new ATOM 579 N TRP A 38 -3.463 -1.771 6.103 1.00 0.00 N ATOM 580 CA TRP A 38 -4.717 -2.157 5.478 1.00 0.00 C ATOM 581 C TRP A 38 -5.264 -0.941 4.727 1.00 0.00 C ATOM 582 O TRP A 38 -5.891 -0.068 5.325 1.00 0.00 O ATOM 583 CB TRP A 38 -5.698 -2.711 6.512 1.00 0.00 C ATOM 584 CG TRP A 38 -5.587 -4.222 6.728 1.00 0.00 C ATOM 585 CD1 TRP A 38 -5.386 -4.879 7.878 1.00 0.00 C ATOM 586 CD2 TRP A 38 -5.681 -5.244 5.713 1.00 0.00 C ATOM 587 NE1 TRP A 38 -5.344 -6.244 7.681 1.00 0.00 N ATOM 588 CE2 TRP A 38 -5.529 -6.472 6.322 1.00 0.00 C ATOM 589 CE3 TRP A 38 -5.888 -5.134 4.327 1.00 0.00 C ATOM 590 CZ2 TRP A 38 -5.567 -7.685 5.623 1.00 0.00 C ATOM 591 CZ3 TRP A 38 -5.923 -6.354 3.642 1.00 0.00 C ATOM 592 CH2 TRP A 38 -5.771 -7.599 4.240 1.00 0.00 C ATOM 0 H TRP A 38 -3.559 -1.138 6.897 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.559 -2.966 4.765 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.532 -2.205 7.463 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.714 -2.473 6.198 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.271 -4.400 8.839 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.203 -6.954 8.399 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.010 -4.183 3.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.446 -8.635 6.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.079 -6.326 2.574 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.810 -8.497 3.641 1.00 0.00 H new ATOM 603 N GLY A 39 -5.007 -0.923 3.427 1.00 0.00 N ATOM 604 CA GLY A 39 -5.466 0.170 2.589 1.00 0.00 C ATOM 605 C GLY A 39 -6.994 0.242 2.569 1.00 0.00 C ATOM 606 O GLY A 39 -7.620 0.507 3.593 1.00 0.00 O ATOM 0 H GLY A 39 -4.486 -1.649 2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.059 1.111 2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.091 0.037 1.574 1.00 0.00 H new ATOM 610 N SER A 40 -7.551 0.001 1.390 1.00 0.00 N ATOM 611 CA SER A 40 -8.994 0.035 1.223 1.00 0.00 C ATOM 612 C SER A 40 -9.447 -1.139 0.355 1.00 0.00 C ATOM 613 O SER A 40 -8.845 -1.419 -0.682 1.00 0.00 O ATOM 614 CB SER A 40 -9.445 1.360 0.604 1.00 0.00 C ATOM 615 OG SER A 40 -10.479 1.979 1.364 1.00 0.00 O ATOM 0 H SER A 40 -7.029 -0.218 0.542 1.00 0.00 H new ATOM 0 HA SER A 40 -9.455 -0.050 2.207 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.593 2.036 0.533 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.798 1.184 -0.412 1.00 0.00 H new ATOM 0 HG SER A 40 -10.738 2.822 0.938 1.00 0.00 H new ATOM 621 N SER A 41 -10.506 -1.795 0.808 1.00 0.00 N ATOM 622 CA SER A 41 -11.047 -2.933 0.085 1.00 0.00 C ATOM 623 C SER A 41 -12.063 -2.457 -0.955 1.00 0.00 C ATOM 624 O SER A 41 -12.453 -1.290 -0.959 1.00 0.00 O ATOM 625 CB SER A 41 -11.696 -3.935 1.041 1.00 0.00 C ATOM 626 OG SER A 41 -12.852 -3.395 1.677 1.00 0.00 O ATOM 0 H SER A 41 -11.003 -1.560 1.667 1.00 0.00 H new ATOM 0 HA SER A 41 -10.225 -3.437 -0.423 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.972 -4.835 0.491 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.972 -4.234 1.799 1.00 0.00 H new ATOM 0 HG SER A 41 -13.532 -4.095 1.769 1.00 0.00 H new ATOM 632 N LYS A 42 -12.465 -3.384 -1.812 1.00 0.00 N ATOM 633 CA LYS A 42 -13.429 -3.073 -2.854 1.00 0.00 C ATOM 634 C LYS A 42 -14.397 -4.246 -3.012 1.00 0.00 C ATOM 635 O LYS A 42 -14.035 -5.394 -2.761 1.00 0.00 O ATOM 636 CB LYS A 42 -12.712 -2.689 -4.149 1.00 0.00 C ATOM 637 CG LYS A 42 -11.311 -2.145 -3.860 1.00 0.00 C ATOM 638 CD LYS A 42 -10.638 -1.651 -5.143 1.00 0.00 C ATOM 639 CE LYS A 42 -11.459 -0.539 -5.799 1.00 0.00 C ATOM 640 NZ LYS A 42 -10.607 0.642 -6.068 1.00 0.00 N ATOM 0 H LYS A 42 -12.141 -4.351 -1.806 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.024 -2.203 -2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.641 -3.559 -4.801 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.295 -1.938 -4.682 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.376 -1.328 -3.141 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.702 -2.924 -3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.638 -1.283 -4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.521 -2.481 -5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.894 -0.901 -6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.287 -0.257 -5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.178 1.388 -6.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.212 0.996 -5.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.832 0.372 -6.706 1.00 0.00 H new ATOM 654 N LEU A 43 -15.612 -3.917 -3.429 1.00 0.00 N ATOM 655 CA LEU A 43 -16.636 -4.929 -3.623 1.00 0.00 C ATOM 656 C LEU A 43 -17.087 -4.917 -5.085 1.00 0.00 C ATOM 657 O LEU A 43 -17.007 -3.889 -5.755 1.00 0.00 O ATOM 658 CB LEU A 43 -17.780 -4.734 -2.625 1.00 0.00 C ATOM 659 CG LEU A 43 -17.718 -5.590 -1.359 1.00 0.00 C ATOM 660 CD1 LEU A 43 -17.574 -7.073 -1.705 1.00 0.00 C ATOM 661 CD2 LEU A 43 -16.605 -5.109 -0.426 1.00 0.00 C ATOM 0 H LEU A 43 -15.909 -2.964 -3.638 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.234 -5.921 -3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.803 -3.685 -2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -18.720 -4.943 -3.135 1.00 0.00 H new ATOM 0 HG LEU A 43 -18.660 -5.475 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.532 -7.659 -0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -18.429 -7.392 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.658 -7.226 -2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.583 -5.735 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.646 -5.175 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.793 -4.074 -0.139 1.00 0.00 H new ATOM 673 N VAL A 44 -17.551 -6.074 -5.538 1.00 0.00 N ATOM 674 CA VAL A 44 -18.014 -6.209 -6.907 1.00 0.00 C ATOM 675 C VAL A 44 -19.052 -7.332 -6.982 1.00 0.00 C ATOM 676 O VAL A 44 -18.695 -8.505 -7.082 1.00 0.00 O ATOM 677 CB VAL A 44 -16.825 -6.431 -7.843 1.00 0.00 C ATOM 678 CG1 VAL A 44 -17.292 -6.633 -9.286 1.00 0.00 C ATOM 679 CG2 VAL A 44 -15.828 -5.273 -7.747 1.00 0.00 C ATOM 0 H VAL A 44 -17.616 -6.925 -4.980 1.00 0.00 H new ATOM 0 HA VAL A 44 -18.502 -5.292 -7.236 1.00 0.00 H new ATOM 0 HB VAL A 44 -16.315 -7.341 -7.526 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -16.427 -6.789 -9.930 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -17.945 -7.504 -9.339 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -17.838 -5.750 -9.619 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -14.992 -5.456 -8.422 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -16.323 -4.343 -8.025 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -15.458 -5.195 -6.725 1.00 0.00 H new ATOM 689 N PRO A 45 -20.347 -6.923 -6.929 1.00 0.00 N ATOM 690 CA PRO A 45 -21.438 -7.881 -6.989 1.00 0.00 C ATOM 691 C PRO A 45 -21.627 -8.407 -8.413 1.00 0.00 C ATOM 692 O PRO A 45 -21.578 -7.641 -9.374 1.00 0.00 O ATOM 693 CB PRO A 45 -22.651 -7.128 -6.468 1.00 0.00 C ATOM 694 CG PRO A 45 -22.304 -5.652 -6.574 1.00 0.00 C ATOM 695 CD PRO A 45 -20.807 -5.542 -6.811 1.00 0.00 C ATOM 0 HA PRO A 45 -21.250 -8.771 -6.389 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -23.539 -7.363 -7.055 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -22.869 -7.405 -5.436 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.855 -5.188 -7.392 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -22.586 -5.127 -5.661 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -20.590 -4.974 -7.716 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.312 -5.029 -5.986 1.00 0.00 H new ATOM 703 N VAL A 46 -21.838 -9.712 -8.504 1.00 0.00 N ATOM 704 CA VAL A 46 -22.035 -10.351 -9.794 1.00 0.00 C ATOM 705 C VAL A 46 -23.533 -10.531 -10.047 1.00 0.00 C ATOM 706 O VAL A 46 -24.053 -10.080 -11.066 1.00 0.00 O ATOM 707 CB VAL A 46 -21.256 -11.666 -9.851 1.00 0.00 C ATOM 708 CG1 VAL A 46 -21.793 -12.574 -10.959 1.00 0.00 C ATOM 709 CG2 VAL A 46 -19.759 -11.410 -10.029 1.00 0.00 C ATOM 0 H VAL A 46 -21.877 -10.344 -7.705 1.00 0.00 H new ATOM 0 HA VAL A 46 -21.644 -9.723 -10.595 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.396 -12.179 -8.900 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -21.222 -13.502 -10.978 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -22.843 -12.798 -10.769 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -21.698 -12.070 -11.921 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -19.229 -12.362 -10.066 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -19.591 -10.864 -10.958 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -19.388 -10.821 -9.190 1.00 0.00 H new ATOM 719 N GLY A 47 -24.185 -11.191 -9.101 1.00 0.00 N ATOM 720 CA GLY A 47 -25.613 -11.436 -9.208 1.00 0.00 C ATOM 721 C GLY A 47 -26.098 -12.348 -8.079 1.00 0.00 C ATOM 722 O GLY A 47 -25.418 -12.506 -7.067 1.00 0.00 O ATOM 0 H GLY A 47 -23.750 -11.564 -8.257 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -26.152 -10.489 -9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -25.836 -11.894 -10.172 1.00 0.00 H new ATOM 726 N TYR A 48 -27.273 -12.926 -8.292 1.00 0.00 N ATOM 727 CA TYR A 48 -27.856 -13.819 -7.305 1.00 0.00 C ATOM 728 C TYR A 48 -27.847 -13.180 -5.916 1.00 0.00 C ATOM 729 O TYR A 48 -28.797 -12.498 -5.535 1.00 0.00 O ATOM 730 CB TYR A 48 -26.971 -15.066 -7.287 1.00 0.00 C ATOM 731 CG TYR A 48 -27.311 -16.087 -8.375 1.00 0.00 C ATOM 732 CD1 TYR A 48 -28.399 -16.922 -8.220 1.00 0.00 C ATOM 733 CD2 TYR A 48 -26.532 -16.172 -9.510 1.00 0.00 C ATOM 734 CE1 TYR A 48 -28.720 -17.884 -9.243 1.00 0.00 C ATOM 735 CE2 TYR A 48 -26.852 -17.134 -10.533 1.00 0.00 C ATOM 736 CZ TYR A 48 -27.930 -17.941 -10.349 1.00 0.00 C ATOM 737 OH TYR A 48 -28.233 -18.850 -11.316 1.00 0.00 O ATOM 0 H TYR A 48 -27.835 -12.793 -9.132 1.00 0.00 H new ATOM 0 HA TYR A 48 -28.891 -14.047 -7.558 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -25.930 -14.762 -7.401 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -27.058 -15.546 -6.312 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -29.010 -16.854 -7.332 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -25.682 -15.517 -9.632 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -29.568 -18.544 -9.135 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -26.249 -17.212 -11.426 1.00 0.00 H new ATOM 0 HH TYR A 48 -27.585 -18.778 -12.048 1.00 0.00 H new ATOM 747 N GLY A 49 -26.762 -13.424 -5.195 1.00 0.00 N ATOM 748 CA GLY A 49 -26.616 -12.882 -3.854 1.00 0.00 C ATOM 749 C GLY A 49 -25.174 -13.019 -3.361 1.00 0.00 C ATOM 750 O GLY A 49 -24.931 -13.109 -2.159 1.00 0.00 O ATOM 0 H GLY A 49 -25.976 -13.990 -5.514 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -26.908 -11.832 -3.849 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -27.288 -13.403 -3.172 1.00 0.00 H new ATOM 754 N ILE A 50 -24.255 -13.028 -4.316 1.00 0.00 N ATOM 755 CA ILE A 50 -22.844 -13.153 -3.994 1.00 0.00 C ATOM 756 C ILE A 50 -22.126 -11.851 -4.358 1.00 0.00 C ATOM 757 O ILE A 50 -22.671 -11.019 -5.081 1.00 0.00 O ATOM 758 CB ILE A 50 -22.248 -14.392 -4.666 1.00 0.00 C ATOM 759 CG1 ILE A 50 -22.914 -15.669 -4.150 1.00 0.00 C ATOM 760 CG2 ILE A 50 -20.727 -14.430 -4.497 1.00 0.00 C ATOM 761 CD1 ILE A 50 -23.064 -15.633 -2.628 1.00 0.00 C ATOM 0 H ILE A 50 -24.460 -12.951 -5.312 1.00 0.00 H new ATOM 0 HA ILE A 50 -22.710 -13.304 -2.923 1.00 0.00 H new ATOM 0 HB ILE A 50 -22.451 -14.332 -5.735 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -23.894 -15.785 -4.613 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -22.320 -16.536 -4.440 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -20.329 -15.320 -4.984 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -20.288 -13.541 -4.951 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -20.479 -14.455 -3.436 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -23.540 -16.552 -2.287 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -22.080 -15.542 -2.168 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -23.679 -14.779 -2.343 1.00 0.00 H new ATOM 773 N LYS A 51 -20.915 -11.716 -3.839 1.00 0.00 N ATOM 774 CA LYS A 51 -20.117 -10.530 -4.100 1.00 0.00 C ATOM 775 C LYS A 51 -18.636 -10.912 -4.125 1.00 0.00 C ATOM 776 O LYS A 51 -18.259 -11.982 -3.651 1.00 0.00 O ATOM 777 CB LYS A 51 -20.450 -9.427 -3.092 1.00 0.00 C ATOM 778 CG LYS A 51 -21.677 -8.630 -3.538 1.00 0.00 C ATOM 779 CD LYS A 51 -22.815 -8.760 -2.523 1.00 0.00 C ATOM 780 CE LYS A 51 -24.058 -9.372 -3.170 1.00 0.00 C ATOM 781 NZ LYS A 51 -25.280 -8.677 -2.707 1.00 0.00 N ATOM 0 H LYS A 51 -20.467 -12.408 -3.239 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.357 -10.118 -5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.635 -9.868 -2.112 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.596 -8.758 -2.984 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.409 -7.580 -3.657 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -22.012 -8.986 -4.512 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.493 -9.381 -1.687 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -23.058 -7.779 -2.116 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -23.982 -9.302 -4.255 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -24.120 -10.432 -2.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -26.114 -9.105 -3.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -25.359 -8.765 -1.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -25.226 -7.671 -2.965 1.00 0.00 H new ATOM 795 N LYS A 52 -17.836 -10.016 -4.684 1.00 0.00 N ATOM 796 CA LYS A 52 -16.405 -10.246 -4.779 1.00 0.00 C ATOM 797 C LYS A 52 -15.737 -9.818 -3.471 1.00 0.00 C ATOM 798 O LYS A 52 -15.955 -8.705 -2.993 1.00 0.00 O ATOM 799 CB LYS A 52 -15.830 -9.555 -6.017 1.00 0.00 C ATOM 800 CG LYS A 52 -15.141 -10.563 -6.939 1.00 0.00 C ATOM 801 CD LYS A 52 -14.659 -9.891 -8.226 1.00 0.00 C ATOM 802 CE LYS A 52 -14.341 -10.931 -9.302 1.00 0.00 C ATOM 803 NZ LYS A 52 -13.365 -10.389 -10.273 1.00 0.00 N ATOM 0 H LYS A 52 -18.152 -9.129 -5.076 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.199 -11.308 -4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.629 -9.049 -6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -15.117 -8.789 -5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.295 -11.015 -6.422 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.833 -11.369 -7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.424 -9.207 -8.592 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.771 -9.294 -8.018 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.940 -11.832 -8.838 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.256 -11.219 -9.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.160 -11.107 -10.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.762 -9.542 -10.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.486 -10.136 -9.778 1.00 0.00 H new ATOM 817 N LEU A 53 -14.934 -10.722 -2.929 1.00 0.00 N ATOM 818 CA LEU A 53 -14.233 -10.451 -1.686 1.00 0.00 C ATOM 819 C LEU A 53 -12.838 -9.907 -2.000 1.00 0.00 C ATOM 820 O LEU A 53 -11.834 -10.521 -1.643 1.00 0.00 O ATOM 821 CB LEU A 53 -14.221 -11.696 -0.795 1.00 0.00 C ATOM 822 CG LEU A 53 -14.779 -11.516 0.617 1.00 0.00 C ATOM 823 CD1 LEU A 53 -13.757 -10.836 1.529 1.00 0.00 C ATOM 824 CD2 LEU A 53 -16.112 -10.763 0.588 1.00 0.00 C ATOM 0 H LEU A 53 -14.753 -11.643 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.754 -9.683 -1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.792 -12.480 -1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.194 -12.052 -0.716 1.00 0.00 H new ATOM 0 HG LEU A 53 -14.975 -12.504 1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.180 -10.720 2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.856 -11.447 1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.505 -9.855 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.487 -10.648 1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.965 -9.779 0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.834 -11.325 -0.004 1.00 0.00 H new ATOM 836 N GLN A 54 -12.821 -8.762 -2.666 1.00 0.00 N ATOM 837 CA GLN A 54 -11.567 -8.128 -3.032 1.00 0.00 C ATOM 838 C GLN A 54 -11.148 -7.119 -1.960 1.00 0.00 C ATOM 839 O GLN A 54 -11.984 -6.389 -1.429 1.00 0.00 O ATOM 840 CB GLN A 54 -11.670 -7.458 -4.404 1.00 0.00 C ATOM 841 CG GLN A 54 -10.466 -6.551 -4.664 1.00 0.00 C ATOM 842 CD GLN A 54 -9.953 -6.717 -6.095 1.00 0.00 C ATOM 843 OE1 GLN A 54 -10.339 -6.007 -7.008 1.00 0.00 O ATOM 844 NE2 GLN A 54 -9.062 -7.695 -6.239 1.00 0.00 N ATOM 0 H GLN A 54 -13.656 -8.257 -2.962 1.00 0.00 H new ATOM 0 HA GLN A 54 -10.800 -8.899 -3.097 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.730 -8.220 -5.181 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.588 -6.874 -4.459 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.746 -5.512 -4.493 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.669 -6.787 -3.959 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.782 -8.253 -5.432 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.659 -7.887 -7.156 1.00 0.00 H new ATOM 853 N ILE A 55 -9.854 -7.111 -1.673 1.00 0.00 N ATOM 854 CA ILE A 55 -9.315 -6.204 -0.674 1.00 0.00 C ATOM 855 C ILE A 55 -7.895 -5.797 -1.074 1.00 0.00 C ATOM 856 O ILE A 55 -7.271 -6.450 -1.908 1.00 0.00 O ATOM 857 CB ILE A 55 -9.407 -6.827 0.720 1.00 0.00 C ATOM 858 CG1 ILE A 55 -8.077 -7.469 1.122 1.00 0.00 C ATOM 859 CG2 ILE A 55 -10.570 -7.818 0.802 1.00 0.00 C ATOM 860 CD1 ILE A 55 -7.769 -8.686 0.247 1.00 0.00 C ATOM 0 H ILE A 55 -9.164 -7.718 -2.115 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.908 -5.290 -0.629 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.611 -6.032 1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.274 -6.738 1.030 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.116 -7.770 2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.613 -8.246 1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.505 -7.300 0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.422 -8.614 0.073 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.819 -9.123 0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.562 -9.425 0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.707 -8.377 -0.797 1.00 0.00 H new ATOM 872 N GLN A 56 -7.428 -4.720 -0.461 1.00 0.00 N ATOM 873 CA GLN A 56 -6.094 -4.219 -0.742 1.00 0.00 C ATOM 874 C GLN A 56 -5.328 -3.984 0.562 1.00 0.00 C ATOM 875 O GLN A 56 -5.911 -3.564 1.561 1.00 0.00 O ATOM 876 CB GLN A 56 -6.154 -2.940 -1.581 1.00 0.00 C ATOM 877 CG GLN A 56 -4.752 -2.489 -1.996 1.00 0.00 C ATOM 878 CD GLN A 56 -4.186 -3.397 -3.089 1.00 0.00 C ATOM 879 OE1 GLN A 56 -3.902 -4.565 -2.878 1.00 0.00 O ATOM 880 NE2 GLN A 56 -4.038 -2.798 -4.267 1.00 0.00 N ATOM 0 H GLN A 56 -7.950 -4.180 0.229 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.560 -4.971 -1.323 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.762 -3.112 -2.469 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.640 -2.149 -1.010 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.788 -1.461 -2.355 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.091 -2.501 -1.130 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.295 -1.817 -4.376 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.667 -3.320 -5.061 1.00 0.00 H new ATOM 889 N CYS A 57 -4.035 -4.265 0.511 1.00 0.00 N ATOM 890 CA CYS A 57 -3.184 -4.089 1.675 1.00 0.00 C ATOM 891 C CYS A 57 -1.867 -3.461 1.218 1.00 0.00 C ATOM 892 O CYS A 57 -1.527 -3.511 0.037 1.00 0.00 O ATOM 893 CB CYS A 57 -2.959 -5.410 2.415 1.00 0.00 C ATOM 894 SG CYS A 57 -2.880 -6.793 1.219 1.00 0.00 S ATOM 0 H CYS A 57 -3.555 -4.614 -0.319 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.673 -3.426 2.389 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.034 -5.362 2.989 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.767 -5.580 3.127 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.690 -6.322 0.023 1.00 0.00 H new ATOM 900 N VAL A 58 -1.160 -2.880 2.177 1.00 0.00 N ATOM 901 CA VAL A 58 0.112 -2.241 1.888 1.00 0.00 C ATOM 902 C VAL A 58 1.204 -2.873 2.754 1.00 0.00 C ATOM 903 O VAL A 58 1.359 -2.515 3.920 1.00 0.00 O ATOM 904 CB VAL A 58 -0.007 -0.728 2.083 1.00 0.00 C ATOM 905 CG1 VAL A 58 1.365 -0.056 1.993 1.00 0.00 C ATOM 906 CG2 VAL A 58 -0.983 -0.120 1.075 1.00 0.00 C ATOM 0 H VAL A 58 -1.445 -2.839 3.156 1.00 0.00 H new ATOM 0 HA VAL A 58 0.392 -2.400 0.847 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.404 -0.548 3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.254 1.019 2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.019 -0.458 2.767 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.801 -0.249 1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.049 0.956 1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.629 -0.315 0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.968 -0.567 1.207 1.00 0.00 H new ATOM 916 N VAL A 59 1.931 -3.801 2.150 1.00 0.00 N ATOM 917 CA VAL A 59 3.003 -4.485 2.852 1.00 0.00 C ATOM 918 C VAL A 59 4.280 -3.647 2.767 1.00 0.00 C ATOM 919 O VAL A 59 4.333 -2.663 2.029 1.00 0.00 O ATOM 920 CB VAL A 59 3.179 -5.898 2.291 1.00 0.00 C ATOM 921 CG1 VAL A 59 1.823 -6.584 2.101 1.00 0.00 C ATOM 922 CG2 VAL A 59 3.968 -5.874 0.981 1.00 0.00 C ATOM 0 H VAL A 59 1.799 -4.095 1.182 1.00 0.00 H new ATOM 0 HA VAL A 59 2.756 -4.596 3.908 1.00 0.00 H new ATOM 0 HB VAL A 59 3.751 -6.478 3.016 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.975 -7.587 1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.311 -6.650 3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.216 -6.004 1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.079 -6.891 0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.435 -5.271 0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.954 -5.443 1.158 1.00 0.00 H new ATOM 932 N GLU A 60 5.276 -4.065 3.533 1.00 0.00 N ATOM 933 CA GLU A 60 6.549 -3.363 3.554 1.00 0.00 C ATOM 934 C GLU A 60 7.476 -3.914 2.468 1.00 0.00 C ATOM 935 O GLU A 60 8.333 -4.752 2.744 1.00 0.00 O ATOM 936 CB GLU A 60 7.205 -3.457 4.933 1.00 0.00 C ATOM 937 CG GLU A 60 7.623 -2.074 5.436 1.00 0.00 C ATOM 938 CD GLU A 60 8.863 -2.167 6.328 1.00 0.00 C ATOM 939 OE1 GLU A 60 8.834 -2.856 7.360 1.00 0.00 O ATOM 940 OE2 GLU A 60 9.882 -1.492 5.917 1.00 0.00 O ATOM 0 H GLU A 60 5.228 -4.881 4.144 1.00 0.00 H new ATOM 0 HA GLU A 60 6.364 -2.309 3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.510 -3.911 5.640 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.078 -4.108 4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.829 -1.421 4.588 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.802 -1.622 5.994 1.00 0.00 H new ATOM 947 N ASP A 61 7.274 -3.419 1.255 1.00 0.00 N ATOM 948 CA ASP A 61 8.081 -3.850 0.127 1.00 0.00 C ATOM 949 C ASP A 61 7.932 -5.362 -0.052 1.00 0.00 C ATOM 950 O ASP A 61 7.129 -5.818 -0.865 1.00 0.00 O ATOM 951 CB ASP A 61 9.562 -3.546 0.361 1.00 0.00 C ATOM 952 CG ASP A 61 10.535 -4.438 -0.412 1.00 0.00 C ATOM 953 OD1 ASP A 61 10.485 -4.316 -1.695 1.00 0.00 O ATOM 954 OD2 ASP A 61 11.302 -5.212 0.181 1.00 0.00 O ATOM 0 H ASP A 61 6.563 -2.723 1.030 1.00 0.00 H new ATOM 0 HA ASP A 61 7.738 -3.313 -0.758 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.751 -2.507 0.090 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.773 -3.641 1.426 1.00 0.00 H new ATOM 959 N ASP A 62 8.718 -6.098 0.719 1.00 0.00 N ATOM 960 CA ASP A 62 8.683 -7.550 0.656 1.00 0.00 C ATOM 961 C ASP A 62 8.866 -8.122 2.063 1.00 0.00 C ATOM 962 O ASP A 62 9.334 -9.248 2.223 1.00 0.00 O ATOM 963 CB ASP A 62 9.811 -8.090 -0.225 1.00 0.00 C ATOM 964 CG ASP A 62 9.535 -9.449 -0.869 1.00 0.00 C ATOM 965 OD1 ASP A 62 8.552 -9.619 -1.606 1.00 0.00 O ATOM 966 OD2 ASP A 62 10.389 -10.373 -0.582 1.00 0.00 O ATOM 0 H ASP A 62 9.384 -5.716 1.391 1.00 0.00 H new ATOM 0 HA ASP A 62 7.723 -7.846 0.234 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.014 -7.366 -1.014 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.716 -8.167 0.377 1.00 0.00 H new ATOM 971 N LYS A 63 8.488 -7.320 3.047 1.00 0.00 N ATOM 972 CA LYS A 63 8.605 -7.733 4.436 1.00 0.00 C ATOM 973 C LYS A 63 7.381 -8.567 4.820 1.00 0.00 C ATOM 974 O LYS A 63 7.516 -9.715 5.239 1.00 0.00 O ATOM 975 CB LYS A 63 8.829 -6.518 5.338 1.00 0.00 C ATOM 976 CG LYS A 63 9.438 -6.937 6.679 1.00 0.00 C ATOM 977 CD LYS A 63 10.814 -6.299 6.878 1.00 0.00 C ATOM 978 CE LYS A 63 11.921 -7.200 6.327 1.00 0.00 C ATOM 979 NZ LYS A 63 12.683 -7.821 7.433 1.00 0.00 N ATOM 0 H LYS A 63 8.100 -6.386 2.911 1.00 0.00 H new ATOM 0 HA LYS A 63 9.480 -8.369 4.573 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.489 -5.808 4.840 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.881 -6.007 5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.775 -6.641 7.492 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.527 -8.023 6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.846 -5.331 6.378 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.984 -6.116 7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.486 -7.976 5.697 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.593 -6.617 5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.430 -8.429 7.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.114 -7.077 8.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.042 -8.394 8.018 1.00 0.00 H new ATOM 993 N VAL A 64 6.215 -7.957 4.663 1.00 0.00 N ATOM 994 CA VAL A 64 4.969 -8.628 4.989 1.00 0.00 C ATOM 995 C VAL A 64 4.419 -9.310 3.734 1.00 0.00 C ATOM 996 O VAL A 64 3.875 -8.648 2.852 1.00 0.00 O ATOM 997 CB VAL A 64 3.985 -7.634 5.609 1.00 0.00 C ATOM 998 CG1 VAL A 64 2.572 -8.219 5.656 1.00 0.00 C ATOM 999 CG2 VAL A 64 4.447 -7.202 7.001 1.00 0.00 C ATOM 0 H VAL A 64 6.108 -7.005 4.314 1.00 0.00 H new ATOM 0 HA VAL A 64 5.138 -9.405 5.735 1.00 0.00 H new ATOM 0 HB VAL A 64 3.959 -6.748 4.975 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.892 -7.493 6.101 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.241 -8.453 4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.575 -9.129 6.256 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.730 -6.496 7.419 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.516 -8.076 7.649 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.425 -6.726 6.928 1.00 0.00 H new ATOM 1009 N GLY A 65 4.581 -10.624 3.694 1.00 0.00 N ATOM 1010 CA GLY A 65 4.108 -11.403 2.563 1.00 0.00 C ATOM 1011 C GLY A 65 2.654 -11.836 2.764 1.00 0.00 C ATOM 1012 O GLY A 65 2.156 -11.847 3.889 1.00 0.00 O ATOM 0 H GLY A 65 5.034 -11.169 4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.193 -10.813 1.650 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.738 -12.283 2.434 1.00 0.00 H new ATOM 1016 N THR A 66 2.015 -12.184 1.657 1.00 0.00 N ATOM 1017 CA THR A 66 0.629 -12.618 1.698 1.00 0.00 C ATOM 1018 C THR A 66 0.521 -14.002 2.341 1.00 0.00 C ATOM 1019 O THR A 66 -0.579 -14.479 2.615 1.00 0.00 O ATOM 1020 CB THR A 66 0.075 -12.565 0.272 1.00 0.00 C ATOM 1021 OG1 THR A 66 -0.612 -11.317 0.213 1.00 0.00 O ATOM 1022 CG2 THR A 66 -1.021 -13.605 0.031 1.00 0.00 C ATOM 0 H THR A 66 2.432 -12.174 0.726 1.00 0.00 H new ATOM 0 HA THR A 66 0.026 -11.958 2.322 1.00 0.00 H new ATOM 0 HB THR A 66 0.886 -12.721 -0.439 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.132 -11.269 -0.616 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.379 -13.525 -0.995 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.618 -14.604 0.197 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.848 -13.428 0.719 1.00 0.00 H new ATOM 1030 N ASP A 67 1.678 -14.607 2.564 1.00 0.00 N ATOM 1031 CA ASP A 67 1.729 -15.926 3.171 1.00 0.00 C ATOM 1032 C ASP A 67 0.968 -15.902 4.498 1.00 0.00 C ATOM 1033 O ASP A 67 -0.044 -16.585 4.649 1.00 0.00 O ATOM 1034 CB ASP A 67 3.172 -16.346 3.459 1.00 0.00 C ATOM 1035 CG ASP A 67 4.131 -15.193 3.768 1.00 0.00 C ATOM 1036 OD1 ASP A 67 4.629 -14.515 2.856 1.00 0.00 O ATOM 1037 OD2 ASP A 67 4.363 -14.999 5.022 1.00 0.00 O ATOM 0 H ASP A 67 2.588 -14.208 2.335 1.00 0.00 H new ATOM 0 HA ASP A 67 1.281 -16.635 2.475 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.172 -17.035 4.303 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.553 -16.896 2.598 1.00 0.00 H new ATOM 1042 N MET A 68 1.485 -15.109 5.424 1.00 0.00 N ATOM 1043 CA MET A 68 0.867 -14.987 6.734 1.00 0.00 C ATOM 1044 C MET A 68 -0.568 -14.470 6.617 1.00 0.00 C ATOM 1045 O MET A 68 -1.502 -15.105 7.105 1.00 0.00 O ATOM 1046 CB MET A 68 1.688 -14.027 7.598 1.00 0.00 C ATOM 1047 CG MET A 68 1.650 -14.447 9.069 1.00 0.00 C ATOM 1048 SD MET A 68 1.364 -13.021 10.104 1.00 0.00 S ATOM 1049 CE MET A 68 -0.389 -12.801 9.851 1.00 0.00 C ATOM 0 H MET A 68 2.325 -14.545 5.294 1.00 0.00 H new ATOM 0 HA MET A 68 0.841 -15.974 7.197 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.720 -14.008 7.248 1.00 0.00 H new ATOM 0 HB3 MET A 68 1.298 -13.014 7.495 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.862 -15.184 9.225 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.591 -14.923 9.344 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.749 -11.990 10.484 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.578 -12.556 8.806 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.912 -13.722 10.108 1.00 0.00 H new ATOM 1059 N LEU A 69 -0.698 -13.321 5.969 1.00 0.00 N ATOM 1060 CA LEU A 69 -2.004 -12.712 5.782 1.00 0.00 C ATOM 1061 C LEU A 69 -2.971 -13.752 5.213 1.00 0.00 C ATOM 1062 O LEU A 69 -4.128 -13.820 5.625 1.00 0.00 O ATOM 1063 CB LEU A 69 -1.888 -11.447 4.928 1.00 0.00 C ATOM 1064 CG LEU A 69 -1.304 -10.218 5.627 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -1.010 -9.104 4.620 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -2.219 -9.743 6.756 1.00 0.00 C ATOM 0 H LEU A 69 0.079 -12.796 5.567 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.413 -12.387 6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.270 -11.674 4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.880 -11.192 4.556 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.354 -10.502 6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.596 -8.242 5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.292 -9.461 3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.933 -8.815 4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.780 -8.868 7.236 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.195 -9.481 6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.335 -10.540 7.490 1.00 0.00 H new ATOM 1078 N GLU A 70 -2.461 -14.535 4.274 1.00 0.00 N ATOM 1079 CA GLU A 70 -3.265 -15.569 3.644 1.00 0.00 C ATOM 1080 C GLU A 70 -3.676 -16.624 4.673 1.00 0.00 C ATOM 1081 O GLU A 70 -4.859 -16.938 4.806 1.00 0.00 O ATOM 1082 CB GLU A 70 -2.517 -16.208 2.473 1.00 0.00 C ATOM 1083 CG GLU A 70 -3.316 -17.370 1.879 1.00 0.00 C ATOM 1084 CD GLU A 70 -2.418 -18.282 1.041 1.00 0.00 C ATOM 1085 OE1 GLU A 70 -1.480 -17.799 0.390 1.00 0.00 O ATOM 1086 OE2 GLU A 70 -2.724 -19.535 1.081 1.00 0.00 O ATOM 0 H GLU A 70 -1.501 -14.474 3.934 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.168 -15.107 3.247 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.332 -15.459 1.703 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.544 -16.566 2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.778 -17.946 2.681 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.124 -16.981 1.260 1.00 0.00 H new ATOM 1093 N GLU A 71 -2.678 -17.140 5.375 1.00 0.00 N ATOM 1094 CA GLU A 71 -2.922 -18.152 6.389 1.00 0.00 C ATOM 1095 C GLU A 71 -3.849 -17.602 7.476 1.00 0.00 C ATOM 1096 O GLU A 71 -4.381 -18.361 8.284 1.00 0.00 O ATOM 1097 CB GLU A 71 -1.608 -18.654 6.990 1.00 0.00 C ATOM 1098 CG GLU A 71 -1.256 -20.043 6.457 1.00 0.00 C ATOM 1099 CD GLU A 71 -0.732 -20.944 7.577 1.00 0.00 C ATOM 1100 OE1 GLU A 71 0.410 -20.597 8.067 1.00 0.00 O ATOM 1101 OE2 GLU A 71 -1.397 -21.923 7.947 1.00 0.00 O ATOM 0 H GLU A 71 -1.699 -16.877 5.262 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.414 -19.002 5.916 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.805 -17.956 6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.690 -18.688 8.076 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.137 -20.496 6.003 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.503 -19.956 5.674 1.00 0.00 H new ATOM 1108 N GLN A 72 -4.011 -16.287 7.461 1.00 0.00 N ATOM 1109 CA GLN A 72 -4.863 -15.628 8.436 1.00 0.00 C ATOM 1110 C GLN A 72 -6.233 -15.327 7.825 1.00 0.00 C ATOM 1111 O GLN A 72 -7.262 -15.551 8.461 1.00 0.00 O ATOM 1112 CB GLN A 72 -4.206 -14.352 8.964 1.00 0.00 C ATOM 1113 CG GLN A 72 -5.023 -13.748 10.109 1.00 0.00 C ATOM 1114 CD GLN A 72 -4.303 -13.927 11.448 1.00 0.00 C ATOM 1115 OE1 GLN A 72 -3.357 -13.229 11.772 1.00 0.00 O ATOM 1116 NE2 GLN A 72 -4.806 -14.898 12.205 1.00 0.00 N ATOM 0 H GLN A 72 -3.567 -15.661 6.790 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.004 -16.301 9.282 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.197 -14.575 9.311 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.113 -13.626 8.157 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.191 -12.688 9.921 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.003 -14.223 10.152 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.600 -15.445 11.872 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.398 -15.096 13.118 1.00 0.00 H new ATOM 1125 N ILE A 73 -6.203 -14.825 6.599 1.00 0.00 N ATOM 1126 CA ILE A 73 -7.429 -14.491 5.896 1.00 0.00 C ATOM 1127 C ILE A 73 -8.113 -15.779 5.433 1.00 0.00 C ATOM 1128 O ILE A 73 -9.284 -16.006 5.733 1.00 0.00 O ATOM 1129 CB ILE A 73 -7.144 -13.504 4.762 1.00 0.00 C ATOM 1130 CG1 ILE A 73 -6.403 -12.271 5.282 1.00 0.00 C ATOM 1131 CG2 ILE A 73 -8.433 -13.130 4.026 1.00 0.00 C ATOM 1132 CD1 ILE A 73 -5.426 -11.736 4.233 1.00 0.00 C ATOM 0 H ILE A 73 -5.348 -14.642 6.075 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.125 -13.982 6.563 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.489 -13.992 4.040 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.121 -11.494 5.545 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.861 -12.525 6.193 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.204 -12.428 3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.884 -14.028 3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.130 -12.668 4.725 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.912 -10.859 4.628 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.694 -12.507 3.990 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.974 -11.460 3.332 1.00 0.00 H new ATOM 1144 N THR A 74 -7.353 -16.588 4.711 1.00 0.00 N ATOM 1145 CA THR A 74 -7.871 -17.847 4.204 1.00 0.00 C ATOM 1146 C THR A 74 -7.976 -18.875 5.332 1.00 0.00 C ATOM 1147 O THR A 74 -8.434 -19.995 5.116 1.00 0.00 O ATOM 1148 CB THR A 74 -6.970 -18.300 3.052 1.00 0.00 C ATOM 1149 OG1 THR A 74 -5.825 -18.845 3.701 1.00 0.00 O ATOM 1150 CG2 THR A 74 -6.418 -17.125 2.245 1.00 0.00 C ATOM 0 H THR A 74 -6.382 -16.396 4.465 1.00 0.00 H new ATOM 0 HA THR A 74 -8.884 -17.730 3.818 1.00 0.00 H new ATOM 0 HB THR A 74 -7.530 -18.962 2.392 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.580 -18.279 4.462 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.786 -17.501 1.441 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.244 -16.555 1.821 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.830 -16.480 2.898 1.00 0.00 H new ATOM 1158 N ALA A 75 -7.545 -18.455 6.513 1.00 0.00 N ATOM 1159 CA ALA A 75 -7.585 -19.324 7.677 1.00 0.00 C ATOM 1160 C ALA A 75 -9.036 -19.713 7.968 1.00 0.00 C ATOM 1161 O ALA A 75 -9.290 -20.665 8.704 1.00 0.00 O ATOM 1162 CB ALA A 75 -6.920 -18.622 8.863 1.00 0.00 C ATOM 0 H ALA A 75 -7.166 -17.524 6.689 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.029 -20.242 7.489 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.950 -19.274 9.736 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.883 -18.394 8.616 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.452 -17.697 9.083 1.00 0.00 H new ATOM 1168 N PHE A 76 -9.948 -18.957 7.375 1.00 0.00 N ATOM 1169 CA PHE A 76 -11.366 -19.211 7.562 1.00 0.00 C ATOM 1170 C PHE A 76 -11.942 -19.996 6.382 1.00 0.00 C ATOM 1171 O PHE A 76 -12.404 -19.407 5.406 1.00 0.00 O ATOM 1172 CB PHE A 76 -12.058 -17.848 7.639 1.00 0.00 C ATOM 1173 CG PHE A 76 -12.483 -17.446 9.053 1.00 0.00 C ATOM 1174 CD1 PHE A 76 -13.177 -18.321 9.829 1.00 0.00 C ATOM 1175 CD2 PHE A 76 -12.166 -16.214 9.534 1.00 0.00 C ATOM 1176 CE1 PHE A 76 -13.572 -17.948 11.141 1.00 0.00 C ATOM 1177 CE2 PHE A 76 -12.561 -15.841 10.845 1.00 0.00 C ATOM 1178 CZ PHE A 76 -13.255 -16.715 11.622 1.00 0.00 C ATOM 0 H PHE A 76 -9.733 -18.169 6.765 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.523 -19.799 8.466 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.385 -17.087 7.243 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.938 -17.862 6.996 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.428 -19.300 9.447 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.614 -15.520 8.918 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -14.124 -18.643 11.757 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.310 -14.862 11.226 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.554 -16.431 12.620 1.00 0.00 H new ATOM 1188 N GLU A 77 -11.898 -21.313 6.511 1.00 0.00 N ATOM 1189 CA GLU A 77 -12.409 -22.185 5.467 1.00 0.00 C ATOM 1190 C GLU A 77 -13.935 -22.276 5.552 1.00 0.00 C ATOM 1191 O GLU A 77 -14.577 -22.837 4.665 1.00 0.00 O ATOM 1192 CB GLU A 77 -11.771 -23.574 5.550 1.00 0.00 C ATOM 1193 CG GLU A 77 -11.170 -23.981 4.203 1.00 0.00 C ATOM 1194 CD GLU A 77 -11.930 -25.165 3.600 1.00 0.00 C ATOM 1195 OE1 GLU A 77 -12.630 -25.886 4.325 1.00 0.00 O ATOM 1196 OE2 GLU A 77 -11.773 -25.322 2.329 1.00 0.00 O ATOM 0 H GLU A 77 -11.516 -21.798 7.323 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.143 -21.757 4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.994 -23.577 6.315 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.520 -24.305 5.854 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.202 -23.135 3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.121 -24.246 4.334 1.00 0.00 H new ATOM 1203 N ASP A 78 -14.469 -21.718 6.627 1.00 0.00 N ATOM 1204 CA ASP A 78 -15.906 -21.729 6.840 1.00 0.00 C ATOM 1205 C ASP A 78 -16.517 -20.462 6.238 1.00 0.00 C ATOM 1206 O ASP A 78 -17.669 -20.131 6.515 1.00 0.00 O ATOM 1207 CB ASP A 78 -16.242 -21.752 8.332 1.00 0.00 C ATOM 1208 CG ASP A 78 -17.566 -22.433 8.687 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -17.487 -23.703 8.898 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -18.620 -21.782 8.759 1.00 0.00 O ATOM 0 H ASP A 78 -13.933 -21.255 7.361 1.00 0.00 H new ATOM 0 HA ASP A 78 -16.309 -22.623 6.365 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.436 -22.259 8.863 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.269 -20.726 8.699 1.00 0.00 H new ATOM 1215 N TYR A 79 -15.717 -19.786 5.426 1.00 0.00 N ATOM 1216 CA TYR A 79 -16.164 -18.564 4.781 1.00 0.00 C ATOM 1217 C TYR A 79 -15.491 -18.383 3.419 1.00 0.00 C ATOM 1218 O TYR A 79 -16.146 -18.021 2.443 1.00 0.00 O ATOM 1219 CB TYR A 79 -15.736 -17.420 5.705 1.00 0.00 C ATOM 1220 CG TYR A 79 -16.584 -17.293 6.971 1.00 0.00 C ATOM 1221 CD1 TYR A 79 -16.224 -17.978 8.115 1.00 0.00 C ATOM 1222 CD2 TYR A 79 -17.708 -16.493 6.972 1.00 0.00 C ATOM 1223 CE1 TYR A 79 -17.022 -17.859 9.307 1.00 0.00 C ATOM 1224 CE2 TYR A 79 -18.507 -16.373 8.165 1.00 0.00 C ATOM 1225 CZ TYR A 79 -18.124 -17.062 9.274 1.00 0.00 C ATOM 1226 OH TYR A 79 -18.878 -16.948 10.400 1.00 0.00 O ATOM 0 H TYR A 79 -14.761 -20.062 5.200 1.00 0.00 H new ATOM 0 HA TYR A 79 -17.241 -18.589 4.616 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.695 -17.568 5.991 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -15.785 -16.482 5.152 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -15.343 -18.603 8.115 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -17.989 -15.956 6.078 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -16.752 -18.391 10.207 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -19.389 -15.751 8.179 1.00 0.00 H new ATOM 0 HH TYR A 79 -19.632 -16.346 10.229 1.00 0.00 H new ATOM 1236 N VAL A 80 -14.192 -18.642 3.399 1.00 0.00 N ATOM 1237 CA VAL A 80 -13.423 -18.514 2.173 1.00 0.00 C ATOM 1238 C VAL A 80 -13.556 -19.799 1.354 1.00 0.00 C ATOM 1239 O VAL A 80 -13.276 -20.888 1.853 1.00 0.00 O ATOM 1240 CB VAL A 80 -11.970 -18.161 2.500 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -11.070 -18.352 1.278 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -11.862 -16.735 3.044 1.00 0.00 C ATOM 0 H VAL A 80 -13.653 -18.940 4.212 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.812 -17.699 1.563 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.626 -18.843 3.278 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.043 -18.094 1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.112 -19.392 0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -11.412 -17.706 0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.820 -16.509 3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.233 -16.032 2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.456 -16.647 3.953 1.00 0.00 H new ATOM 1252 N GLN A 81 -13.983 -19.631 0.111 1.00 0.00 N ATOM 1253 CA GLN A 81 -14.156 -20.764 -0.781 1.00 0.00 C ATOM 1254 C GLN A 81 -12.827 -21.121 -1.450 1.00 0.00 C ATOM 1255 O GLN A 81 -12.516 -22.297 -1.631 1.00 0.00 O ATOM 1256 CB GLN A 81 -15.237 -20.479 -1.826 1.00 0.00 C ATOM 1257 CG GLN A 81 -15.497 -21.711 -2.696 1.00 0.00 C ATOM 1258 CD GLN A 81 -16.099 -21.313 -4.045 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -15.698 -20.345 -4.671 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -17.081 -22.110 -4.455 1.00 0.00 N ATOM 0 H GLN A 81 -14.214 -18.726 -0.299 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.484 -21.619 -0.191 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.159 -20.180 -1.328 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.929 -19.644 -2.455 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.564 -22.251 -2.855 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.174 -22.390 -2.178 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -17.367 -22.903 -3.881 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -17.548 -21.928 -5.343 1.00 0.00 H new ATOM 1269 N SER A 82 -12.080 -20.084 -1.799 1.00 0.00 N ATOM 1270 CA SER A 82 -10.792 -20.274 -2.444 1.00 0.00 C ATOM 1271 C SER A 82 -10.141 -18.917 -2.724 1.00 0.00 C ATOM 1272 O SER A 82 -10.634 -18.149 -3.549 1.00 0.00 O ATOM 1273 CB SER A 82 -10.937 -21.071 -3.742 1.00 0.00 C ATOM 1274 OG SER A 82 -11.017 -22.473 -3.500 1.00 0.00 O ATOM 0 H SER A 82 -12.342 -19.110 -1.647 1.00 0.00 H new ATOM 0 HA SER A 82 -10.153 -20.844 -1.769 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.831 -20.743 -4.271 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.087 -20.863 -4.392 1.00 0.00 H new ATOM 0 HG SER A 82 -11.803 -22.665 -2.948 1.00 0.00 H new ATOM 1280 N MET A 83 -9.047 -18.665 -2.022 1.00 0.00 N ATOM 1281 CA MET A 83 -8.325 -17.414 -2.185 1.00 0.00 C ATOM 1282 C MET A 83 -7.340 -17.498 -3.352 1.00 0.00 C ATOM 1283 O MET A 83 -6.846 -18.578 -3.676 1.00 0.00 O ATOM 1284 CB MET A 83 -7.566 -17.092 -0.897 1.00 0.00 C ATOM 1285 CG MET A 83 -6.559 -15.961 -1.123 1.00 0.00 C ATOM 1286 SD MET A 83 -5.008 -16.631 -1.701 1.00 0.00 S ATOM 1287 CE MET A 83 -3.869 -15.574 -0.824 1.00 0.00 C ATOM 0 H MET A 83 -8.642 -19.305 -1.339 1.00 0.00 H new ATOM 0 HA MET A 83 -9.046 -16.625 -2.399 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.271 -16.806 -0.117 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.045 -17.983 -0.545 1.00 0.00 H new ATOM 0 HG2 MET A 83 -6.953 -15.253 -1.852 1.00 0.00 H new ATOM 0 HG3 MET A 83 -6.404 -15.410 -0.195 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.948 -16.121 -0.621 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.644 -14.697 -1.432 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.318 -15.257 0.117 1.00 0.00 H new ATOM 1297 N ASP A 84 -7.082 -16.346 -3.953 1.00 0.00 N ATOM 1298 CA ASP A 84 -6.164 -16.275 -5.077 1.00 0.00 C ATOM 1299 C ASP A 84 -5.384 -14.961 -5.011 1.00 0.00 C ATOM 1300 O ASP A 84 -5.514 -14.205 -4.050 1.00 0.00 O ATOM 1301 CB ASP A 84 -6.918 -16.313 -6.407 1.00 0.00 C ATOM 1302 CG ASP A 84 -7.269 -17.714 -6.913 1.00 0.00 C ATOM 1303 OD1 ASP A 84 -7.618 -18.607 -6.127 1.00 0.00 O ATOM 1304 OD2 ASP A 84 -7.169 -17.872 -8.189 1.00 0.00 O ATOM 0 H ASP A 84 -7.493 -15.453 -3.682 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.493 -17.132 -5.019 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.839 -15.740 -6.301 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.315 -15.811 -7.163 1.00 0.00 H new ATOM 1309 N VAL A 85 -4.591 -14.728 -6.047 1.00 0.00 N ATOM 1310 CA VAL A 85 -3.791 -13.517 -6.120 1.00 0.00 C ATOM 1311 C VAL A 85 -4.333 -12.618 -7.233 1.00 0.00 C ATOM 1312 O VAL A 85 -4.695 -13.101 -8.304 1.00 0.00 O ATOM 1313 CB VAL A 85 -2.315 -13.877 -6.307 1.00 0.00 C ATOM 1314 CG1 VAL A 85 -1.443 -12.619 -6.326 1.00 0.00 C ATOM 1315 CG2 VAL A 85 -1.847 -14.853 -5.227 1.00 0.00 C ATOM 0 H VAL A 85 -4.485 -15.357 -6.843 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.860 -12.956 -5.188 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.210 -14.372 -7.272 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.399 -12.902 -6.460 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.753 -11.974 -7.148 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.556 -12.084 -5.383 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.795 -15.092 -5.384 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.973 -14.397 -4.245 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.439 -15.767 -5.281 1.00 0.00 H new ATOM 1325 N ALA A 86 -4.372 -11.327 -6.939 1.00 0.00 N ATOM 1326 CA ALA A 86 -4.865 -10.356 -7.902 1.00 0.00 C ATOM 1327 C ALA A 86 -3.679 -9.698 -8.610 1.00 0.00 C ATOM 1328 O ALA A 86 -3.801 -9.250 -9.748 1.00 0.00 O ATOM 1329 CB ALA A 86 -5.757 -9.337 -7.189 1.00 0.00 C ATOM 0 H ALA A 86 -4.071 -10.931 -6.049 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.473 -10.845 -8.663 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.127 -8.609 -7.911 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.600 -9.851 -6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.180 -8.824 -6.419 1.00 0.00 H new ATOM 1335 N ALA A 87 -2.557 -9.662 -7.906 1.00 0.00 N ATOM 1336 CA ALA A 87 -1.349 -9.068 -8.451 1.00 0.00 C ATOM 1337 C ALA A 87 -0.322 -8.888 -7.332 1.00 0.00 C ATOM 1338 O ALA A 87 -0.645 -9.055 -6.156 1.00 0.00 O ATOM 1339 CB ALA A 87 -1.697 -7.747 -9.142 1.00 0.00 C ATOM 0 H ALA A 87 -2.460 -10.035 -6.962 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.905 -9.722 -9.201 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.791 -7.301 -9.551 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.406 -7.934 -9.949 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.143 -7.064 -8.419 1.00 0.00 H new ATOM 1345 N PHE A 88 0.894 -8.550 -7.735 1.00 0.00 N ATOM 1346 CA PHE A 88 1.969 -8.346 -6.780 1.00 0.00 C ATOM 1347 C PHE A 88 3.018 -7.379 -7.334 1.00 0.00 C ATOM 1348 O PHE A 88 3.841 -7.760 -8.164 1.00 0.00 O ATOM 1349 CB PHE A 88 2.623 -9.709 -6.544 1.00 0.00 C ATOM 1350 CG PHE A 88 2.693 -10.119 -5.071 1.00 0.00 C ATOM 1351 CD1 PHE A 88 3.756 -9.745 -4.311 1.00 0.00 C ATOM 1352 CD2 PHE A 88 1.691 -10.858 -4.524 1.00 0.00 C ATOM 1353 CE1 PHE A 88 3.820 -10.126 -2.944 1.00 0.00 C ATOM 1354 CE2 PHE A 88 1.755 -11.239 -3.158 1.00 0.00 C ATOM 1355 CZ PHE A 88 2.818 -10.865 -2.397 1.00 0.00 C ATOM 0 H PHE A 88 1.158 -8.412 -8.710 1.00 0.00 H new ATOM 0 HA PHE A 88 1.572 -7.921 -5.858 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.068 -10.467 -7.096 1.00 0.00 H new ATOM 0 HB3 PHE A 88 3.633 -9.692 -6.954 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.552 -9.158 -4.746 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.847 -11.155 -5.129 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.664 -9.829 -2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.959 -11.826 -2.723 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.867 -11.155 -1.358 1.00 0.00 H new ATOM 1365 N ASN A 89 2.954 -6.146 -6.851 1.00 0.00 N ATOM 1366 CA ASN A 89 3.887 -5.123 -7.288 1.00 0.00 C ATOM 1367 C ASN A 89 4.034 -4.069 -6.188 1.00 0.00 C ATOM 1368 O ASN A 89 3.306 -4.097 -5.197 1.00 0.00 O ATOM 1369 CB ASN A 89 3.384 -4.420 -8.551 1.00 0.00 C ATOM 1370 CG ASN A 89 3.694 -5.247 -9.799 1.00 0.00 C ATOM 1371 OD1 ASN A 89 3.173 -6.332 -10.002 1.00 0.00 O ATOM 1372 ND2 ASN A 89 4.570 -4.677 -10.622 1.00 0.00 N ATOM 0 H ASN A 89 2.270 -5.834 -6.162 1.00 0.00 H new ATOM 0 HA ASN A 89 4.841 -5.606 -7.500 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.309 -4.256 -8.477 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.851 -3.439 -8.636 1.00 0.00 H new ATOM 0 HD21 ASN A 89 4.843 -5.150 -11.483 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.968 -3.767 -10.392 1.00 0.00 H new ATOM 1379 N LYS A 90 4.980 -3.167 -6.398 1.00 0.00 N ATOM 1380 CA LYS A 90 5.232 -2.107 -5.437 1.00 0.00 C ATOM 1381 C LYS A 90 4.110 -1.071 -5.522 1.00 0.00 C ATOM 1382 O LYS A 90 3.580 -0.769 -6.589 1.00 0.00 O ATOM 1383 CB LYS A 90 6.629 -1.519 -5.642 1.00 0.00 C ATOM 1384 CG LYS A 90 6.968 -1.413 -7.130 1.00 0.00 C ATOM 1385 CD LYS A 90 7.905 -2.543 -7.560 1.00 0.00 C ATOM 1386 CE LYS A 90 7.298 -3.353 -8.708 1.00 0.00 C ATOM 1387 NZ LYS A 90 8.355 -3.795 -9.646 1.00 0.00 N ATOM 0 H LYS A 90 5.582 -3.148 -7.221 1.00 0.00 H new ATOM 0 HA LYS A 90 5.224 -2.503 -4.422 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.683 -0.532 -5.182 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.368 -2.145 -5.141 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.052 -1.451 -7.719 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.437 -0.450 -7.332 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.863 -2.127 -7.871 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.102 -3.199 -6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.771 -4.220 -8.310 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.562 -2.748 -9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.926 -4.343 -10.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.840 -2.963 -10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.042 -4.389 -9.140 1.00 0.00 H new ATOM 1401 N ILE A 91 3.756 -0.526 -4.355 1.00 0.00 N ATOM 1402 CA ILE A 91 2.710 0.474 -4.263 1.00 0.00 C ATOM 1403 C ILE A 91 3.297 1.857 -4.506 1.00 0.00 C ATOM 1404 O ILE A 91 2.645 2.715 -5.098 1.00 0.00 O ATOM 1405 CB ILE A 91 2.055 0.397 -2.886 1.00 0.00 C ATOM 1406 CG1 ILE A 91 0.978 1.472 -2.775 1.00 0.00 C ATOM 1407 CG2 ILE A 91 3.111 0.620 -1.808 1.00 0.00 C ATOM 1408 CD1 ILE A 91 -0.394 0.810 -2.684 1.00 0.00 C ATOM 1409 OXT ILE A 91 4.430 2.130 -4.111 1.00 0.00 O ATOM 0 H ILE A 91 4.186 -0.767 -3.462 1.00 0.00 H new ATOM 0 HA ILE A 91 1.951 0.285 -5.023 1.00 0.00 H new ATOM 0 HB ILE A 91 1.602 -0.585 -2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.155 2.089 -1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.018 2.133 -3.641 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.644 0.565 -0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.880 -0.148 -1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.564 1.602 -1.940 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.164 1.578 -2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.569 0.211 -3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.430 0.167 -1.804 1.00 0.00 H new TER 1421 ILE A 91