USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 592 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 26 THR OG1 : rot -64:sc= 0.131 USER MOD Set 1.2: A 58 GLN : amide:sc= -1.67 K(o=-1.5,f=-4.5!) USER MOD Set 2.1: A 18 TYR OH : rot 180:sc= -0.378 USER MOD Set 2.2: A 83 GLN : amide:sc= -2.83! K(o=-3.2!,f=-2.3) USER MOD Set 3.1: A 1 SER OG : rot 180:sc=0.000898 USER MOD Set 3.2: A 8 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.099) USER MOD Single : A 1 SER N :NH3+ -132:sc= -0.11 (180deg=-1.41!) USER MOD Single : A 5 MET CE :methyl -106:sc= -0.482 (180deg=-0.994) USER MOD Single : A 11 TYR OH : rot -166:sc= 0.414 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 2:sc= 1.15 USER MOD Single : A 20 THR OG1 : rot 114:sc= 0.141 USER MOD Single : A 22 GLN : amide:sc= -4.06! C(o=-4.1!,f=-2.1!) USER MOD Single : A 38 ASN : amide:sc= -3.74! K(o=-3.7!,f=-0.68) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -7.4! K(o=-7.4!,f=-1.2) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -126:sc= -2.87! (180deg=-6.56!) USER MOD Single : A 68 THR OG1 : rot -36:sc= 0.756 USER MOD Single : A 69 ASN : amide:sc= -4.05 K(o=-4.1,f=-0.22) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -4.18! K(o=-4.2!,f=-3) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.7!) USER MOD Single : A 81 ASN : amide:sc= -19.7! C(o=-20!,f=-19!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0232 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -32.948 1.393 -3.924 1.00 0.00 N ATOM 2 CA SER A 1 -31.971 0.414 -3.382 1.00 0.00 C ATOM 3 C SER A 1 -31.778 0.616 -1.879 1.00 0.00 C ATOM 4 O SER A 1 -30.734 1.100 -1.439 1.00 0.00 O ATOM 5 CB SER A 1 -30.630 0.553 -4.103 1.00 0.00 C ATOM 6 OG SER A 1 -29.684 -0.380 -3.609 1.00 0.00 O ATOM 0 H1 SER A 1 -33.644 0.897 -4.517 1.00 0.00 H new ATOM 0 H2 SER A 1 -33.438 1.866 -3.138 1.00 0.00 H new ATOM 0 H3 SER A 1 -32.447 2.102 -4.497 1.00 0.00 H new ATOM 0 HA SER A 1 -32.364 -0.589 -3.549 1.00 0.00 H new ATOM 0 HB2 SER A 1 -30.772 0.400 -5.173 1.00 0.00 H new ATOM 0 HB3 SER A 1 -30.248 1.566 -3.974 1.00 0.00 H new ATOM 0 HG SER A 1 -28.836 -0.271 -4.088 1.00 0.00 H new ATOM 14 N PRO A 2 -32.786 0.243 -1.069 1.00 0.00 N ATOM 15 CA PRO A 2 -32.728 0.386 0.386 1.00 0.00 C ATOM 16 C PRO A 2 -32.016 -0.775 1.058 1.00 0.00 C ATOM 17 O PRO A 2 -32.635 -1.785 1.393 1.00 0.00 O ATOM 18 CB PRO A 2 -34.203 0.403 0.771 1.00 0.00 C ATOM 19 CG PRO A 2 -34.846 -0.509 -0.218 1.00 0.00 C ATOM 20 CD PRO A 2 -34.071 -0.348 -1.504 1.00 0.00 C ATOM 0 HA PRO A 2 -32.169 1.269 0.697 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -34.353 0.053 1.792 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -34.618 1.409 0.715 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -34.816 -1.542 0.128 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -35.895 -0.251 -0.361 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -33.922 -1.305 -2.004 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -34.593 0.301 -2.207 1.00 0.00 H new ATOM 28 N ALA A 3 -30.712 -0.629 1.256 1.00 0.00 N ATOM 29 CA ALA A 3 -29.940 -1.665 1.916 1.00 0.00 C ATOM 30 C ALA A 3 -30.424 -1.791 3.346 1.00 0.00 C ATOM 31 O ALA A 3 -30.236 -2.820 3.996 1.00 0.00 O ATOM 32 CB ALA A 3 -28.455 -1.342 1.877 1.00 0.00 C ATOM 0 H ALA A 3 -30.174 0.190 0.971 1.00 0.00 H new ATOM 0 HA ALA A 3 -30.081 -2.612 1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -27.897 -2.133 2.378 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -28.126 -1.267 0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -28.275 -0.394 2.384 1.00 0.00 H new ATOM 38 N ALA A 4 -31.056 -0.723 3.826 1.00 0.00 N ATOM 39 CA ALA A 4 -31.599 -0.702 5.170 1.00 0.00 C ATOM 40 C ALA A 4 -33.043 -0.209 5.173 1.00 0.00 C ATOM 41 O ALA A 4 -33.963 -0.968 5.480 1.00 0.00 O ATOM 42 CB ALA A 4 -30.745 0.199 6.042 1.00 0.00 C ATOM 0 H ALA A 4 -31.202 0.138 3.299 1.00 0.00 H new ATOM 0 HA ALA A 4 -31.589 -1.718 5.564 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -31.151 0.217 7.054 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -29.724 -0.181 6.067 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -30.746 1.209 5.632 1.00 0.00 H new ATOM 48 N MET A 5 -33.240 1.065 4.829 1.00 0.00 N ATOM 49 CA MET A 5 -34.583 1.637 4.788 1.00 0.00 C ATOM 50 C MET A 5 -34.983 2.106 3.397 1.00 0.00 C ATOM 51 O MET A 5 -35.839 1.503 2.750 1.00 0.00 O ATOM 52 CB MET A 5 -34.697 2.795 5.776 1.00 0.00 C ATOM 53 CG MET A 5 -36.116 3.308 5.954 1.00 0.00 C ATOM 54 SD MET A 5 -36.225 4.653 7.150 1.00 0.00 S ATOM 55 CE MET A 5 -35.203 5.896 6.362 1.00 0.00 C ATOM 0 H MET A 5 -32.494 1.713 4.577 1.00 0.00 H new ATOM 0 HA MET A 5 -35.270 0.840 5.070 1.00 0.00 H new ATOM 0 HB2 MET A 5 -34.312 2.474 6.744 1.00 0.00 H new ATOM 0 HB3 MET A 5 -34.064 3.615 5.436 1.00 0.00 H new ATOM 0 HG2 MET A 5 -36.497 3.651 4.992 1.00 0.00 H new ATOM 0 HG3 MET A 5 -36.757 2.487 6.277 1.00 0.00 H new ATOM 0 HE1 MET A 5 -34.251 5.971 6.888 1.00 0.00 H new ATOM 0 HE2 MET A 5 -35.023 5.615 5.324 1.00 0.00 H new ATOM 0 HE3 MET A 5 -35.712 6.859 6.394 1.00 0.00 H new ATOM 65 N GLU A 6 -34.384 3.214 2.965 1.00 0.00 N ATOM 66 CA GLU A 6 -34.680 3.787 1.659 1.00 0.00 C ATOM 67 C GLU A 6 -33.481 3.702 0.721 1.00 0.00 C ATOM 68 O GLU A 6 -33.571 3.148 -0.376 1.00 0.00 O ATOM 69 CB GLU A 6 -35.121 5.244 1.808 1.00 0.00 C ATOM 70 CG GLU A 6 -36.394 5.413 2.621 1.00 0.00 C ATOM 71 CD GLU A 6 -37.573 4.674 2.020 1.00 0.00 C ATOM 72 OE1 GLU A 6 -38.274 5.263 1.170 1.00 0.00 O ATOM 73 OE2 GLU A 6 -37.796 3.505 2.400 1.00 0.00 O ATOM 0 H GLU A 6 -33.690 3.732 3.504 1.00 0.00 H new ATOM 0 HA GLU A 6 -35.491 3.205 1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -34.319 5.811 2.281 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -35.273 5.672 0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -36.223 5.053 3.635 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -36.635 6.473 2.696 1.00 0.00 H new ATOM 80 N ARG A 7 -32.363 4.275 1.156 1.00 0.00 N ATOM 81 CA ARG A 7 -31.139 4.284 0.355 1.00 0.00 C ATOM 82 C ARG A 7 -30.068 3.394 0.976 1.00 0.00 C ATOM 83 O ARG A 7 -30.148 3.037 2.152 1.00 0.00 O ATOM 84 CB ARG A 7 -30.612 5.713 0.208 1.00 0.00 C ATOM 85 CG ARG A 7 -31.677 6.703 -0.233 1.00 0.00 C ATOM 86 CD ARG A 7 -31.129 8.119 -0.312 1.00 0.00 C ATOM 87 NE ARG A 7 -29.998 8.219 -1.229 1.00 0.00 N ATOM 88 CZ ARG A 7 -29.571 9.363 -1.753 1.00 0.00 C ATOM 89 NH1 ARG A 7 -30.187 10.501 -1.461 1.00 0.00 N ATOM 90 NH2 ARG A 7 -28.527 9.371 -2.572 1.00 0.00 N ATOM 0 H ARG A 7 -32.277 4.740 2.060 1.00 0.00 H new ATOM 0 HA ARG A 7 -31.380 3.889 -0.632 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -30.195 6.039 1.161 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -29.797 5.720 -0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -32.067 6.409 -1.207 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -32.513 6.674 0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -31.919 8.796 -0.637 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -30.820 8.444 0.681 1.00 0.00 H new ATOM 0 HE ARG A 7 -29.507 7.361 -1.482 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -30.991 10.499 -0.833 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -29.857 11.378 -1.865 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -28.051 8.498 -2.800 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -28.200 10.250 -2.973 1.00 0.00 H new ATOM 104 N GLN A 8 -29.069 3.039 0.176 1.00 0.00 N ATOM 105 CA GLN A 8 -27.977 2.188 0.644 1.00 0.00 C ATOM 106 C GLN A 8 -26.711 3.011 0.872 1.00 0.00 C ATOM 107 O GLN A 8 -26.483 4.018 0.199 1.00 0.00 O ATOM 108 CB GLN A 8 -27.696 1.064 -0.370 1.00 0.00 C ATOM 109 CG GLN A 8 -26.991 1.543 -1.630 1.00 0.00 C ATOM 110 CD GLN A 8 -26.663 0.410 -2.584 1.00 0.00 C ATOM 111 OE1 GLN A 8 -26.645 0.596 -3.801 1.00 0.00 O ATOM 112 NE2 GLN A 8 -26.396 -0.770 -2.037 1.00 0.00 N ATOM 0 H GLN A 8 -28.991 3.326 -0.800 1.00 0.00 H new ATOM 0 HA GLN A 8 -28.279 1.741 1.591 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -27.086 0.298 0.109 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -28.639 0.593 -0.648 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -27.622 2.271 -2.140 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -26.071 2.057 -1.353 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -26.422 -0.880 -1.023 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -26.165 -1.567 -2.631 1.00 0.00 H new ATOM 121 N VAL A 9 -25.891 2.575 1.825 1.00 0.00 N ATOM 122 CA VAL A 9 -24.647 3.268 2.145 1.00 0.00 C ATOM 123 C VAL A 9 -23.460 2.623 1.424 1.00 0.00 C ATOM 124 O VAL A 9 -23.100 1.482 1.719 1.00 0.00 O ATOM 125 CB VAL A 9 -24.373 3.255 3.664 1.00 0.00 C ATOM 126 CG1 VAL A 9 -23.176 4.129 4.010 1.00 0.00 C ATOM 127 CG2 VAL A 9 -25.606 3.696 4.436 1.00 0.00 C ATOM 0 H VAL A 9 -26.066 1.744 2.390 1.00 0.00 H new ATOM 0 HA VAL A 9 -24.761 4.299 1.810 1.00 0.00 H new ATOM 0 HB VAL A 9 -24.136 2.232 3.956 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -23.005 4.102 5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -22.292 3.757 3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -23.373 5.155 3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -25.391 3.680 5.505 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -25.880 4.707 4.136 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -26.432 3.017 4.221 1.00 0.00 H new ATOM 137 N PRO A 10 -22.833 3.340 0.469 1.00 0.00 N ATOM 138 CA PRO A 10 -21.686 2.816 -0.285 1.00 0.00 C ATOM 139 C PRO A 10 -20.552 2.359 0.627 1.00 0.00 C ATOM 140 O PRO A 10 -20.544 2.656 1.821 1.00 0.00 O ATOM 141 CB PRO A 10 -21.236 4.007 -1.137 1.00 0.00 C ATOM 142 CG PRO A 10 -22.442 4.873 -1.249 1.00 0.00 C ATOM 143 CD PRO A 10 -23.187 4.709 0.045 1.00 0.00 C ATOM 0 HA PRO A 10 -21.956 1.937 -0.870 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -20.409 4.539 -0.667 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -20.890 3.683 -2.118 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -22.162 5.914 -1.409 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -23.060 4.575 -2.096 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -22.880 5.451 0.783 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -24.262 4.822 -0.093 1.00 0.00 H new ATOM 151 N TYR A 11 -19.596 1.635 0.053 1.00 0.00 N ATOM 152 CA TYR A 11 -18.457 1.129 0.811 1.00 0.00 C ATOM 153 C TYR A 11 -17.198 1.939 0.518 1.00 0.00 C ATOM 154 O TYR A 11 -16.676 1.912 -0.597 1.00 0.00 O ATOM 155 CB TYR A 11 -18.211 -0.350 0.483 1.00 0.00 C ATOM 156 CG TYR A 11 -16.895 -0.880 1.016 1.00 0.00 C ATOM 157 CD1 TYR A 11 -16.720 -1.126 2.372 1.00 0.00 C ATOM 158 CD2 TYR A 11 -15.827 -1.131 0.160 1.00 0.00 C ATOM 159 CE1 TYR A 11 -15.518 -1.607 2.861 1.00 0.00 C ATOM 160 CE2 TYR A 11 -14.624 -1.613 0.641 1.00 0.00 C ATOM 161 CZ TYR A 11 -14.475 -1.848 1.991 1.00 0.00 C ATOM 162 OH TYR A 11 -13.278 -2.324 2.475 1.00 0.00 O ATOM 0 H TYR A 11 -19.588 1.385 -0.936 1.00 0.00 H new ATOM 0 HA TYR A 11 -18.692 1.227 1.871 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -19.026 -0.945 0.895 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -18.235 -0.482 -0.599 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -17.535 -0.939 3.056 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -15.940 -0.946 -0.898 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -15.397 -1.793 3.918 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -13.806 -1.804 -0.037 1.00 0.00 H new ATOM 0 HH TYR A 11 -12.585 -2.225 1.789 1.00 0.00 H new ATOM 172 N THR A 12 -16.716 2.660 1.525 1.00 0.00 N ATOM 173 CA THR A 12 -15.511 3.466 1.380 1.00 0.00 C ATOM 174 C THR A 12 -14.379 2.918 2.245 1.00 0.00 C ATOM 175 O THR A 12 -14.507 2.853 3.467 1.00 0.00 O ATOM 176 CB THR A 12 -15.752 4.936 1.769 1.00 0.00 C ATOM 177 OG1 THR A 12 -16.536 5.590 0.763 1.00 0.00 O ATOM 178 CG2 THR A 12 -14.426 5.670 1.950 1.00 0.00 C ATOM 0 H THR A 12 -17.142 2.702 2.451 1.00 0.00 H new ATOM 0 HA THR A 12 -15.234 3.417 0.327 1.00 0.00 H new ATOM 0 HB THR A 12 -16.293 4.956 2.715 1.00 0.00 H new ATOM 0 HG1 THR A 12 -16.685 6.524 1.020 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.619 6.707 2.225 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.848 5.187 2.738 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.863 5.640 1.017 1.00 0.00 H new ATOM 186 N PRO A 13 -13.253 2.515 1.629 1.00 0.00 N ATOM 187 CA PRO A 13 -12.115 1.996 2.354 1.00 0.00 C ATOM 188 C PRO A 13 -11.057 3.062 2.609 1.00 0.00 C ATOM 189 O PRO A 13 -10.343 3.483 1.699 1.00 0.00 O ATOM 190 CB PRO A 13 -11.588 0.932 1.397 1.00 0.00 C ATOM 191 CG PRO A 13 -11.982 1.395 0.022 1.00 0.00 C ATOM 192 CD PRO A 13 -12.997 2.504 0.187 1.00 0.00 C ATOM 0 HA PRO A 13 -12.376 1.624 3.345 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.506 0.830 1.481 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.019 -0.044 1.620 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.110 1.752 -0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.405 0.571 -0.553 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.607 3.461 -0.160 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.906 2.305 -0.381 1.00 0.00 H new ATOM 200 N CYS A 14 -10.974 3.489 3.863 1.00 0.00 N ATOM 201 CA CYS A 14 -10.001 4.492 4.292 1.00 0.00 C ATOM 202 C CYS A 14 -10.247 5.844 3.643 1.00 0.00 C ATOM 203 O CYS A 14 -10.818 5.938 2.556 1.00 0.00 O ATOM 204 CB CYS A 14 -8.575 4.026 4.003 1.00 0.00 C ATOM 205 SG CYS A 14 -7.528 5.255 3.160 1.00 0.00 S ATOM 0 H CYS A 14 -11.578 3.151 4.613 1.00 0.00 H new ATOM 0 HA CYS A 14 -10.126 4.612 5.368 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.100 3.749 4.944 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.619 3.125 3.391 1.00 0.00 H new ATOM 210 N SER A 15 -9.792 6.885 4.327 1.00 0.00 N ATOM 211 CA SER A 15 -9.950 8.260 3.856 1.00 0.00 C ATOM 212 C SER A 15 -9.150 9.230 4.721 1.00 0.00 C ATOM 213 O SER A 15 -8.912 8.971 5.901 1.00 0.00 O ATOM 214 CB SER A 15 -11.427 8.670 3.865 1.00 0.00 C ATOM 215 OG SER A 15 -12.146 8.033 2.823 1.00 0.00 O ATOM 0 H SER A 15 -9.305 6.804 5.220 1.00 0.00 H new ATOM 0 HA SER A 15 -9.572 8.303 2.835 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.872 8.413 4.826 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.507 9.752 3.756 1.00 0.00 H new ATOM 0 HG SER A 15 -11.547 7.432 2.333 1.00 0.00 H new ATOM 221 N GLY A 16 -8.739 10.348 4.128 1.00 0.00 N ATOM 222 CA GLY A 16 -7.989 11.345 4.868 1.00 0.00 C ATOM 223 C GLY A 16 -6.526 11.407 4.476 1.00 0.00 C ATOM 224 O GLY A 16 -6.184 11.863 3.384 1.00 0.00 O ATOM 0 H GLY A 16 -8.912 10.580 3.150 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.443 12.323 4.709 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.064 11.129 5.934 1.00 0.00 H new ATOM 228 N LEU A 17 -5.663 10.946 5.375 1.00 0.00 N ATOM 229 CA LEU A 17 -4.222 10.961 5.142 1.00 0.00 C ATOM 230 C LEU A 17 -3.842 10.172 3.891 1.00 0.00 C ATOM 231 O LEU A 17 -2.966 10.589 3.136 1.00 0.00 O ATOM 232 CB LEU A 17 -3.480 10.394 6.357 1.00 0.00 C ATOM 233 CG LEU A 17 -3.658 11.180 7.660 1.00 0.00 C ATOM 234 CD1 LEU A 17 -2.984 10.454 8.813 1.00 0.00 C ATOM 235 CD2 LEU A 17 -3.099 12.590 7.520 1.00 0.00 C ATOM 0 H LEU A 17 -5.938 10.555 6.276 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.928 11.999 4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.816 9.370 6.521 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.416 10.347 6.123 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.725 11.255 7.872 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.119 11.025 9.731 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.429 9.466 8.931 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.919 10.349 8.604 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.236 13.130 8.457 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.036 12.538 7.283 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.624 13.112 6.720 1.00 0.00 H new ATOM 247 N TYR A 18 -4.503 9.039 3.669 1.00 0.00 N ATOM 248 CA TYR A 18 -4.200 8.209 2.503 1.00 0.00 C ATOM 249 C TYR A 18 -5.211 8.476 1.394 1.00 0.00 C ATOM 250 O TYR A 18 -4.859 8.613 0.223 1.00 0.00 O ATOM 251 CB TYR A 18 -4.257 6.720 2.884 1.00 0.00 C ATOM 252 CG TYR A 18 -3.693 6.410 4.254 1.00 0.00 C ATOM 253 CD1 TYR A 18 -2.373 6.697 4.556 1.00 0.00 C ATOM 254 CD2 TYR A 18 -4.479 5.821 5.238 1.00 0.00 C ATOM 255 CE1 TYR A 18 -1.844 6.407 5.803 1.00 0.00 C ATOM 256 CE2 TYR A 18 -3.960 5.527 6.485 1.00 0.00 C ATOM 257 CZ TYR A 18 -2.642 5.821 6.761 1.00 0.00 C ATOM 258 OH TYR A 18 -2.121 5.532 8.002 1.00 0.00 O ATOM 0 H TYR A 18 -5.242 8.677 4.271 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.198 8.458 2.153 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.294 6.386 2.846 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.709 6.144 2.138 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.745 7.155 3.806 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.512 5.589 5.025 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.812 6.639 6.023 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.584 5.070 7.239 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.814 5.122 8.561 1.00 0.00 H new ATOM 268 N GLY A 19 -6.470 8.555 1.802 1.00 0.00 N ATOM 269 CA GLY A 19 -7.568 8.843 0.893 1.00 0.00 C ATOM 270 C GLY A 19 -7.769 7.854 -0.253 1.00 0.00 C ATOM 271 O GLY A 19 -8.834 7.859 -0.869 1.00 0.00 O ATOM 0 H GLY A 19 -6.758 8.421 2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.490 8.888 1.472 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.410 9.834 0.467 1.00 0.00 H new ATOM 275 N THR A 20 -6.782 7.008 -0.562 1.00 0.00 N ATOM 276 CA THR A 20 -6.938 6.083 -1.687 1.00 0.00 C ATOM 277 C THR A 20 -6.559 4.632 -1.370 1.00 0.00 C ATOM 278 O THR A 20 -5.396 4.327 -1.101 1.00 0.00 O ATOM 279 CB THR A 20 -6.108 6.555 -2.897 1.00 0.00 C ATOM 280 OG1 THR A 20 -6.490 7.887 -3.261 1.00 0.00 O ATOM 281 CG2 THR A 20 -6.300 5.627 -4.088 1.00 0.00 C ATOM 0 H THR A 20 -5.893 6.944 -0.066 1.00 0.00 H new ATOM 0 HA THR A 20 -8.004 6.094 -1.914 1.00 0.00 H new ATOM 0 HB THR A 20 -5.056 6.539 -2.613 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.741 8.498 -3.099 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.703 5.984 -4.927 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.982 4.620 -3.819 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.352 5.612 -4.372 1.00 0.00 H new ATOM 289 N ALA A 21 -7.556 3.742 -1.407 1.00 0.00 N ATOM 290 CA ALA A 21 -7.327 2.311 -1.194 1.00 0.00 C ATOM 291 C ALA A 21 -6.551 1.734 -2.385 1.00 0.00 C ATOM 292 O ALA A 21 -6.652 2.260 -3.494 1.00 0.00 O ATOM 293 CB ALA A 21 -8.661 1.593 -1.030 1.00 0.00 C ATOM 0 H ALA A 21 -8.530 3.989 -1.583 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.741 2.166 -0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.485 0.529 -0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.192 2.004 -0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.262 1.731 -1.929 1.00 0.00 H new ATOM 299 N GLN A 22 -5.780 0.658 -2.176 1.00 0.00 N ATOM 300 CA GLN A 22 -5.013 0.059 -3.277 1.00 0.00 C ATOM 301 C GLN A 22 -4.393 -1.270 -2.856 1.00 0.00 C ATOM 302 O GLN A 22 -4.740 -1.824 -1.816 1.00 0.00 O ATOM 303 CB GLN A 22 -3.916 1.009 -3.832 1.00 0.00 C ATOM 304 CG GLN A 22 -3.295 1.998 -2.838 1.00 0.00 C ATOM 305 CD GLN A 22 -2.552 3.123 -3.534 1.00 0.00 C ATOM 306 OE1 GLN A 22 -1.577 3.658 -3.006 1.00 0.00 O ATOM 307 NE2 GLN A 22 -3.015 3.494 -4.722 1.00 0.00 N ATOM 0 H GLN A 22 -5.671 0.193 -1.275 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.725 -0.120 -4.083 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.116 0.398 -4.249 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.345 1.579 -4.656 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.080 2.418 -2.209 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.609 1.465 -2.179 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.826 3.023 -5.123 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.559 4.250 -5.234 1.00 0.00 H new ATOM 316 N CYS A 23 -3.483 -1.783 -3.681 1.00 0.00 N ATOM 317 CA CYS A 23 -2.807 -3.056 -3.389 1.00 0.00 C ATOM 318 C CYS A 23 -1.310 -2.815 -3.353 1.00 0.00 C ATOM 319 O CYS A 23 -0.709 -2.481 -4.372 1.00 0.00 O ATOM 320 CB CYS A 23 -3.162 -4.147 -4.419 1.00 0.00 C ATOM 321 SG CYS A 23 -2.132 -5.634 -4.327 1.00 0.00 S ATOM 0 H CYS A 23 -3.194 -1.343 -4.555 1.00 0.00 H new ATOM 0 HA CYS A 23 -3.149 -3.420 -2.420 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -4.204 -4.434 -4.280 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.078 -3.724 -5.420 1.00 0.00 H new ATOM 326 N CYS A 24 -0.702 -3.013 -2.186 1.00 0.00 N ATOM 327 CA CYS A 24 0.726 -2.749 -2.032 1.00 0.00 C ATOM 328 C CYS A 24 1.539 -4.011 -2.218 1.00 0.00 C ATOM 329 O CYS A 24 1.518 -4.914 -1.381 1.00 0.00 O ATOM 330 CB CYS A 24 1.027 -2.149 -0.649 1.00 0.00 C ATOM 331 SG CYS A 24 0.306 -0.500 -0.352 1.00 0.00 S ATOM 0 H CYS A 24 -1.168 -3.351 -1.344 1.00 0.00 H new ATOM 0 HA CYS A 24 1.007 -2.031 -2.803 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.659 -2.833 0.115 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.108 -2.084 -0.525 1.00 0.00 H new ATOM 336 N ALA A 25 2.256 -4.061 -3.330 1.00 0.00 N ATOM 337 CA ALA A 25 3.097 -5.196 -3.633 1.00 0.00 C ATOM 338 C ALA A 25 4.430 -5.047 -2.915 1.00 0.00 C ATOM 339 O ALA A 25 5.327 -4.338 -3.372 1.00 0.00 O ATOM 340 CB ALA A 25 3.274 -5.329 -5.136 1.00 0.00 C ATOM 0 H ALA A 25 2.269 -3.324 -4.035 1.00 0.00 H new ATOM 0 HA ALA A 25 2.624 -6.112 -3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.910 -6.188 -5.353 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.301 -5.470 -5.606 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.739 -4.425 -5.529 1.00 0.00 H new ATOM 346 N THR A 26 4.532 -5.725 -1.781 1.00 0.00 N ATOM 347 CA THR A 26 5.719 -5.690 -0.941 1.00 0.00 C ATOM 348 C THR A 26 6.989 -6.005 -1.718 1.00 0.00 C ATOM 349 O THR A 26 6.946 -6.371 -2.893 1.00 0.00 O ATOM 350 CB THR A 26 5.611 -6.649 0.258 1.00 0.00 C ATOM 351 OG1 THR A 26 5.412 -7.993 -0.200 1.00 0.00 O ATOM 352 CG2 THR A 26 4.471 -6.246 1.184 1.00 0.00 C ATOM 0 H THR A 26 3.788 -6.319 -1.416 1.00 0.00 H new ATOM 0 HA THR A 26 5.781 -4.667 -0.571 1.00 0.00 H new ATOM 0 HB THR A 26 6.544 -6.592 0.818 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.552 -8.056 -0.665 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.419 -6.942 2.022 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.647 -5.238 1.560 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.530 -6.270 0.634 1.00 0.00 H new ATOM 360 N ASP A 27 8.113 -5.850 -1.032 1.00 0.00 N ATOM 361 CA ASP A 27 9.431 -6.094 -1.616 1.00 0.00 C ATOM 362 C ASP A 27 9.434 -7.353 -2.493 1.00 0.00 C ATOM 363 O ASP A 27 8.826 -8.368 -2.152 1.00 0.00 O ATOM 364 CB ASP A 27 10.469 -6.267 -0.492 1.00 0.00 C ATOM 365 CG ASP A 27 11.848 -6.658 -1.002 1.00 0.00 C ATOM 366 OD1 ASP A 27 11.976 -7.743 -1.604 1.00 0.00 O ATOM 367 OD2 ASP A 27 12.804 -5.886 -0.780 1.00 0.00 O ATOM 0 H ASP A 27 8.140 -5.552 -0.057 1.00 0.00 H new ATOM 0 HA ASP A 27 9.683 -5.237 -2.240 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.547 -5.335 0.068 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.117 -7.028 0.204 1.00 0.00 H new ATOM 372 N VAL A 28 10.130 -7.262 -3.630 1.00 0.00 N ATOM 373 CA VAL A 28 10.223 -8.351 -4.588 1.00 0.00 C ATOM 374 C VAL A 28 11.229 -8.015 -5.695 1.00 0.00 C ATOM 375 O VAL A 28 12.021 -8.863 -6.108 1.00 0.00 O ATOM 376 CB VAL A 28 8.848 -8.637 -5.199 1.00 0.00 C ATOM 377 CG1 VAL A 28 8.415 -7.486 -6.085 1.00 0.00 C ATOM 378 CG2 VAL A 28 8.852 -9.953 -5.963 1.00 0.00 C ATOM 0 H VAL A 28 10.644 -6.425 -3.906 1.00 0.00 H new ATOM 0 HA VAL A 28 10.571 -9.240 -4.063 1.00 0.00 H new ATOM 0 HB VAL A 28 8.124 -8.733 -4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.436 -7.704 -6.512 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.357 -6.573 -5.493 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.140 -7.353 -6.888 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.863 -10.131 -6.386 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.587 -9.905 -6.766 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.108 -10.767 -5.285 1.00 0.00 H new ATOM 388 N LEU A 29 11.185 -6.767 -6.170 1.00 0.00 N ATOM 389 CA LEU A 29 12.091 -6.286 -7.203 1.00 0.00 C ATOM 390 C LEU A 29 13.406 -5.869 -6.574 1.00 0.00 C ATOM 391 O LEU A 29 14.170 -5.092 -7.147 1.00 0.00 O ATOM 392 CB LEU A 29 11.467 -5.105 -7.948 1.00 0.00 C ATOM 393 CG LEU A 29 12.126 -4.763 -9.285 1.00 0.00 C ATOM 394 CD1 LEU A 29 11.692 -5.742 -10.365 1.00 0.00 C ATOM 395 CD2 LEU A 29 11.799 -3.339 -9.687 1.00 0.00 C ATOM 0 H LEU A 29 10.519 -6.066 -5.846 1.00 0.00 H new ATOM 0 HA LEU A 29 12.274 -7.089 -7.917 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.413 -5.322 -8.124 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.508 -4.226 -7.304 1.00 0.00 H new ATOM 0 HG LEU A 29 13.206 -4.847 -9.168 1.00 0.00 H new ATOM 0 HD11 LEU A 29 12.172 -5.480 -11.308 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.982 -6.753 -10.078 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.610 -5.696 -10.484 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.276 -3.112 -10.641 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.719 -3.228 -9.785 1.00 0.00 H new ATOM 0 HD23 LEU A 29 12.167 -2.652 -8.925 1.00 0.00 H new ATOM 407 N GLY A 30 13.661 -6.398 -5.385 1.00 0.00 N ATOM 408 CA GLY A 30 14.837 -6.009 -4.650 1.00 0.00 C ATOM 409 C GLY A 30 14.565 -4.657 -4.058 1.00 0.00 C ATOM 410 O GLY A 30 15.408 -4.026 -3.420 1.00 0.00 O ATOM 0 H GLY A 30 13.072 -7.089 -4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 30 15.058 -6.734 -3.867 1.00 0.00 H new ATOM 0 HA3 GLY A 30 15.706 -5.973 -5.306 1.00 0.00 H new ATOM 414 N VAL A 31 13.335 -4.248 -4.310 1.00 0.00 N ATOM 415 CA VAL A 31 12.785 -2.989 -3.881 1.00 0.00 C ATOM 416 C VAL A 31 12.288 -3.087 -2.437 1.00 0.00 C ATOM 417 O VAL A 31 11.675 -4.078 -2.053 1.00 0.00 O ATOM 418 CB VAL A 31 11.629 -2.617 -4.835 1.00 0.00 C ATOM 419 CG1 VAL A 31 10.432 -3.532 -4.622 1.00 0.00 C ATOM 420 CG2 VAL A 31 11.243 -1.155 -4.682 1.00 0.00 C ATOM 0 H VAL A 31 12.671 -4.811 -4.841 1.00 0.00 H new ATOM 0 HA VAL A 31 13.552 -2.215 -3.912 1.00 0.00 H new ATOM 0 HB VAL A 31 11.977 -2.760 -5.858 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.632 -3.249 -5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.725 -4.564 -4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.081 -3.439 -3.594 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.427 -0.921 -5.366 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.923 -0.969 -3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 31 12.102 -0.526 -4.914 1.00 0.00 H new ATOM 430 N ALA A 32 12.550 -2.056 -1.644 1.00 0.00 N ATOM 431 CA ALA A 32 12.154 -2.051 -0.236 1.00 0.00 C ATOM 432 C ALA A 32 10.711 -1.596 -0.057 1.00 0.00 C ATOM 433 O ALA A 32 9.957 -2.171 0.727 1.00 0.00 O ATOM 434 CB ALA A 32 13.086 -1.158 0.564 1.00 0.00 C ATOM 0 H ALA A 32 13.034 -1.212 -1.949 1.00 0.00 H new ATOM 0 HA ALA A 32 12.227 -3.074 0.133 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.783 -1.161 1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.107 -1.530 0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.038 -0.141 0.175 1.00 0.00 H new ATOM 440 N ASP A 33 10.342 -0.558 -0.789 1.00 0.00 N ATOM 441 CA ASP A 33 8.988 -0.004 -0.720 1.00 0.00 C ATOM 442 C ASP A 33 7.969 -0.971 -1.319 1.00 0.00 C ATOM 443 O ASP A 33 8.338 -1.895 -2.044 1.00 0.00 O ATOM 444 CB ASP A 33 8.936 1.329 -1.474 1.00 0.00 C ATOM 445 CG ASP A 33 9.474 1.209 -2.885 1.00 0.00 C ATOM 446 OD1 ASP A 33 10.694 1.404 -3.075 1.00 0.00 O ATOM 447 OD2 ASP A 33 8.677 0.921 -3.803 1.00 0.00 O ATOM 0 H ASP A 33 10.960 -0.076 -1.442 1.00 0.00 H new ATOM 0 HA ASP A 33 8.737 0.155 0.329 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.906 1.685 -1.509 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.513 2.076 -0.929 1.00 0.00 H new ATOM 452 N LEU A 34 6.682 -0.760 -1.018 1.00 0.00 N ATOM 453 CA LEU A 34 5.631 -1.618 -1.578 1.00 0.00 C ATOM 454 C LEU A 34 4.875 -0.823 -2.636 1.00 0.00 C ATOM 455 O LEU A 34 4.217 0.167 -2.317 1.00 0.00 O ATOM 456 CB LEU A 34 4.615 -2.140 -0.539 1.00 0.00 C ATOM 457 CG LEU A 34 4.937 -1.942 0.937 1.00 0.00 C ATOM 458 CD1 LEU A 34 3.753 -2.393 1.798 1.00 0.00 C ATOM 459 CD2 LEU A 34 6.187 -2.728 1.303 1.00 0.00 C ATOM 0 H LEU A 34 6.348 -0.018 -0.403 1.00 0.00 H new ATOM 0 HA LEU A 34 6.131 -2.495 -1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.657 -1.661 -0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.480 -3.208 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 34 5.120 -0.884 1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.993 -2.248 2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.872 -1.805 1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.551 -3.448 1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.412 -2.582 2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.020 -3.788 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.026 -2.378 0.702 1.00 0.00 H new ATOM 471 N ASP A 35 4.965 -1.246 -3.888 1.00 0.00 N ATOM 472 CA ASP A 35 4.299 -0.536 -4.973 1.00 0.00 C ATOM 473 C ASP A 35 2.783 -0.692 -4.908 1.00 0.00 C ATOM 474 O ASP A 35 2.242 -1.717 -5.324 1.00 0.00 O ATOM 475 CB ASP A 35 4.816 -1.042 -6.320 1.00 0.00 C ATOM 476 CG ASP A 35 6.331 -1.040 -6.395 1.00 0.00 C ATOM 477 OD1 ASP A 35 6.927 0.057 -6.340 1.00 0.00 O ATOM 478 OD2 ASP A 35 6.922 -2.134 -6.503 1.00 0.00 O ATOM 0 H ASP A 35 5.489 -2.072 -4.178 1.00 0.00 H new ATOM 0 HA ASP A 35 4.528 0.524 -4.865 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.448 -2.054 -6.491 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.414 -0.418 -7.118 1.00 0.00 H new ATOM 483 N CYS A 36 2.092 0.326 -4.384 1.00 0.00 N ATOM 484 CA CYS A 36 0.634 0.269 -4.300 1.00 0.00 C ATOM 485 C CYS A 36 -0.002 0.913 -5.525 1.00 0.00 C ATOM 486 O CYS A 36 0.011 2.136 -5.676 1.00 0.00 O ATOM 487 CB CYS A 36 0.132 0.943 -3.010 1.00 0.00 C ATOM 488 SG CYS A 36 -0.880 -0.144 -1.959 1.00 0.00 S ATOM 0 H CYS A 36 2.511 1.182 -4.019 1.00 0.00 H new ATOM 0 HA CYS A 36 0.338 -0.780 -4.272 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.990 1.292 -2.436 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.453 1.824 -3.275 1.00 0.00 H new ATOM 493 N ALA A 37 -0.558 0.077 -6.405 1.00 0.00 N ATOM 494 CA ALA A 37 -1.209 0.563 -7.615 1.00 0.00 C ATOM 495 C ALA A 37 -2.707 0.738 -7.399 1.00 0.00 C ATOM 496 O ALA A 37 -3.363 -0.123 -6.813 1.00 0.00 O ATOM 497 CB ALA A 37 -0.947 -0.391 -8.771 1.00 0.00 C ATOM 0 H ALA A 37 -0.568 -0.937 -6.299 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.789 1.538 -7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.438 -0.018 -9.669 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.126 -0.463 -8.947 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.341 -1.377 -8.525 1.00 0.00 H new ATOM 503 N ASN A 38 -3.242 1.857 -7.877 1.00 0.00 N ATOM 504 CA ASN A 38 -4.666 2.146 -7.736 1.00 0.00 C ATOM 505 C ASN A 38 -5.487 1.347 -8.748 1.00 0.00 C ATOM 506 O ASN A 38 -5.391 1.588 -9.950 1.00 0.00 O ATOM 507 CB ASN A 38 -4.923 3.648 -7.921 1.00 0.00 C ATOM 508 CG ASN A 38 -6.388 3.993 -8.162 1.00 0.00 C ATOM 509 OD1 ASN A 38 -6.694 5.014 -8.777 1.00 0.00 O ATOM 510 ND2 ASN A 38 -7.305 3.150 -7.691 1.00 0.00 N ATOM 0 H ASN A 38 -2.712 2.579 -8.365 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.975 1.852 -6.733 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.575 4.179 -7.035 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.331 4.008 -8.762 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.296 3.342 -7.836 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.016 2.313 -7.185 1.00 0.00 H new ATOM 517 N PRO A 39 -6.308 0.385 -8.279 1.00 0.00 N ATOM 518 CA PRO A 39 -7.138 -0.429 -9.160 1.00 0.00 C ATOM 519 C PRO A 39 -8.453 0.264 -9.520 1.00 0.00 C ATOM 520 O PRO A 39 -9.340 0.391 -8.677 1.00 0.00 O ATOM 521 CB PRO A 39 -7.401 -1.680 -8.325 1.00 0.00 C ATOM 522 CG PRO A 39 -7.359 -1.219 -6.905 1.00 0.00 C ATOM 523 CD PRO A 39 -6.483 0.011 -6.861 1.00 0.00 C ATOM 0 HA PRO A 39 -6.654 -0.629 -10.116 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.369 -2.119 -8.568 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.647 -2.445 -8.513 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.362 -0.990 -6.545 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.959 -2.000 -6.259 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -6.953 0.814 -6.293 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.526 -0.199 -6.384 1.00 0.00 H new ATOM 531 N PRO A 40 -8.600 0.727 -10.779 1.00 0.00 N ATOM 532 CA PRO A 40 -9.819 1.405 -11.227 1.00 0.00 C ATOM 533 C PRO A 40 -10.987 0.438 -11.360 1.00 0.00 C ATOM 534 O PRO A 40 -11.023 -0.386 -12.276 1.00 0.00 O ATOM 535 CB PRO A 40 -9.443 1.980 -12.604 1.00 0.00 C ATOM 536 CG PRO A 40 -7.964 1.802 -12.728 1.00 0.00 C ATOM 537 CD PRO A 40 -7.610 0.632 -11.859 1.00 0.00 C ATOM 0 HA PRO A 40 -10.143 2.166 -10.517 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.968 1.457 -13.403 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.718 3.032 -12.677 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.679 1.618 -13.764 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.435 2.700 -12.407 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.687 -0.312 -12.398 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.590 0.701 -11.481 1.00 0.00 H new ATOM 545 N ALA A 41 -11.947 0.555 -10.446 1.00 0.00 N ATOM 546 CA ALA A 41 -13.124 -0.307 -10.442 1.00 0.00 C ATOM 547 C ALA A 41 -14.036 0.032 -9.269 1.00 0.00 C ATOM 548 O ALA A 41 -13.653 0.779 -8.369 1.00 0.00 O ATOM 549 CB ALA A 41 -12.713 -1.773 -10.374 1.00 0.00 C ATOM 0 H ALA A 41 -11.931 1.244 -9.694 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.670 -0.137 -11.370 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.604 -2.401 -10.372 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.098 -2.019 -11.240 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.143 -1.949 -9.462 1.00 0.00 H new ATOM 555 N THR A 42 -15.242 -0.522 -9.287 1.00 0.00 N ATOM 556 CA THR A 42 -16.205 -0.281 -8.221 1.00 0.00 C ATOM 557 C THR A 42 -16.079 -1.346 -7.135 1.00 0.00 C ATOM 558 O THR A 42 -16.726 -2.392 -7.199 1.00 0.00 O ATOM 559 CB THR A 42 -17.654 -0.263 -8.768 1.00 0.00 C ATOM 560 OG1 THR A 42 -17.827 0.856 -9.646 1.00 0.00 O ATOM 561 CG2 THR A 42 -18.690 -0.195 -7.646 1.00 0.00 C ATOM 0 H THR A 42 -15.576 -1.140 -10.027 1.00 0.00 H new ATOM 0 HA THR A 42 -15.985 0.697 -7.792 1.00 0.00 H new ATOM 0 HB THR A 42 -17.811 -1.195 -9.311 1.00 0.00 H new ATOM 0 HG1 THR A 42 -18.744 0.862 -9.991 1.00 0.00 H new ATOM 0 HG21 THR A 42 -19.692 -0.184 -8.076 1.00 0.00 H new ATOM 0 HG22 THR A 42 -18.582 -1.065 -6.998 1.00 0.00 H new ATOM 0 HG23 THR A 42 -18.536 0.713 -7.063 1.00 0.00 H new ATOM 569 N LEU A 43 -15.232 -1.076 -6.144 1.00 0.00 N ATOM 570 CA LEU A 43 -15.016 -2.008 -5.042 1.00 0.00 C ATOM 571 C LEU A 43 -16.335 -2.302 -4.329 1.00 0.00 C ATOM 572 O LEU A 43 -16.769 -1.537 -3.467 1.00 0.00 O ATOM 573 CB LEU A 43 -13.999 -1.430 -4.047 1.00 0.00 C ATOM 574 CG LEU A 43 -12.785 -0.733 -4.677 1.00 0.00 C ATOM 575 CD1 LEU A 43 -11.952 -0.040 -3.607 1.00 0.00 C ATOM 576 CD2 LEU A 43 -11.927 -1.727 -5.447 1.00 0.00 C ATOM 0 H LEU A 43 -14.684 -0.218 -6.083 1.00 0.00 H new ATOM 0 HA LEU A 43 -14.621 -2.939 -5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -14.512 -0.717 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.642 -2.238 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.153 0.018 -5.376 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.096 0.449 -4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.562 0.705 -3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.601 -0.777 -2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.073 -1.209 -5.884 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.572 -2.503 -4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.520 -2.182 -6.240 1.00 0.00 H new ATOM 588 N ALA A 44 -16.965 -3.415 -4.699 1.00 0.00 N ATOM 589 CA ALA A 44 -18.238 -3.815 -4.109 1.00 0.00 C ATOM 590 C ALA A 44 -18.164 -3.846 -2.586 1.00 0.00 C ATOM 591 O ALA A 44 -19.087 -3.402 -1.902 1.00 0.00 O ATOM 592 CB ALA A 44 -18.661 -5.173 -4.647 1.00 0.00 C ATOM 0 H ALA A 44 -16.612 -4.058 -5.408 1.00 0.00 H new ATOM 0 HA ALA A 44 -18.985 -3.072 -4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.612 -5.461 -4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -18.771 -5.117 -5.730 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -17.903 -5.915 -4.397 1.00 0.00 H new ATOM 598 N ASN A 45 -17.065 -4.376 -2.060 1.00 0.00 N ATOM 599 CA ASN A 45 -16.870 -4.461 -0.616 1.00 0.00 C ATOM 600 C ASN A 45 -15.409 -4.738 -0.280 1.00 0.00 C ATOM 601 O ASN A 45 -14.540 -4.664 -1.149 1.00 0.00 O ATOM 602 CB ASN A 45 -17.777 -5.540 -0.009 1.00 0.00 C ATOM 603 CG ASN A 45 -17.753 -6.847 -0.781 1.00 0.00 C ATOM 604 OD1 ASN A 45 -18.776 -7.519 -0.911 1.00 0.00 O ATOM 605 ND2 ASN A 45 -16.586 -7.223 -1.287 1.00 0.00 N ATOM 0 H ASN A 45 -16.295 -4.754 -2.612 1.00 0.00 H new ATOM 0 HA ASN A 45 -17.142 -3.499 -0.181 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -17.469 -5.728 1.020 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -18.800 -5.166 0.028 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -16.513 -8.098 -1.806 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -15.761 -6.637 -1.157 1.00 0.00 H new ATOM 612 N ALA A 46 -15.144 -5.059 0.981 1.00 0.00 N ATOM 613 CA ALA A 46 -13.785 -5.333 1.425 1.00 0.00 C ATOM 614 C ALA A 46 -13.244 -6.624 0.824 1.00 0.00 C ATOM 615 O ALA A 46 -12.198 -6.624 0.180 1.00 0.00 O ATOM 616 CB ALA A 46 -13.729 -5.385 2.943 1.00 0.00 C ATOM 0 H ALA A 46 -15.851 -5.136 1.712 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.150 -4.520 1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.707 -5.591 3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.051 -4.427 3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.388 -6.174 3.305 1.00 0.00 H new ATOM 622 N THR A 47 -13.959 -7.721 1.041 1.00 0.00 N ATOM 623 CA THR A 47 -13.550 -9.020 0.521 1.00 0.00 C ATOM 624 C THR A 47 -13.309 -8.964 -0.986 1.00 0.00 C ATOM 625 O THR A 47 -12.642 -9.832 -1.551 1.00 0.00 O ATOM 626 CB THR A 47 -14.609 -10.100 0.822 1.00 0.00 C ATOM 627 OG1 THR A 47 -14.943 -10.083 2.215 1.00 0.00 O ATOM 628 CG2 THR A 47 -14.102 -11.482 0.438 1.00 0.00 C ATOM 0 H THR A 47 -14.828 -7.737 1.575 1.00 0.00 H new ATOM 0 HA THR A 47 -12.618 -9.282 1.022 1.00 0.00 H new ATOM 0 HB THR A 47 -15.497 -9.879 0.230 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.617 -10.770 2.398 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.868 -12.225 0.660 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.875 -11.503 -0.628 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.200 -11.709 1.006 1.00 0.00 H new ATOM 636 N HIS A 48 -13.847 -7.933 -1.631 1.00 0.00 N ATOM 637 CA HIS A 48 -13.706 -7.779 -3.074 1.00 0.00 C ATOM 638 C HIS A 48 -12.316 -7.293 -3.461 1.00 0.00 C ATOM 639 O HIS A 48 -11.627 -7.951 -4.241 1.00 0.00 O ATOM 640 CB HIS A 48 -14.769 -6.824 -3.625 1.00 0.00 C ATOM 641 CG HIS A 48 -14.687 -6.618 -5.108 1.00 0.00 C ATOM 642 ND1 HIS A 48 -15.422 -7.357 -6.010 1.00 0.00 N ATOM 643 CD2 HIS A 48 -13.952 -5.750 -5.848 1.00 0.00 C ATOM 644 CE1 HIS A 48 -15.145 -6.954 -7.238 1.00 0.00 C ATOM 645 NE2 HIS A 48 -14.257 -5.980 -7.166 1.00 0.00 N ATOM 0 H HIS A 48 -14.384 -7.193 -1.178 1.00 0.00 H new ATOM 0 HA HIS A 48 -13.850 -8.765 -3.516 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -15.757 -7.212 -3.375 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -14.670 -5.859 -3.128 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.257 -5.015 -5.470 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.572 -7.354 -8.146 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -13.861 -5.479 -7.962 1.00 0.00 H new ATOM 654 N PHE A 49 -11.892 -6.150 -2.925 1.00 0.00 N ATOM 655 CA PHE A 49 -10.574 -5.633 -3.267 1.00 0.00 C ATOM 656 C PHE A 49 -9.502 -6.340 -2.456 1.00 0.00 C ATOM 657 O PHE A 49 -8.317 -6.284 -2.787 1.00 0.00 O ATOM 658 CB PHE A 49 -10.496 -4.101 -3.160 1.00 0.00 C ATOM 659 CG PHE A 49 -10.373 -3.516 -1.783 1.00 0.00 C ATOM 660 CD1 PHE A 49 -11.213 -3.904 -0.754 1.00 0.00 C ATOM 661 CD2 PHE A 49 -9.433 -2.527 -1.539 1.00 0.00 C ATOM 662 CE1 PHE A 49 -11.112 -3.314 0.493 1.00 0.00 C ATOM 663 CE2 PHE A 49 -9.325 -1.942 -0.296 1.00 0.00 C ATOM 664 CZ PHE A 49 -10.167 -2.334 0.720 1.00 0.00 C ATOM 0 H PHE A 49 -12.427 -5.579 -2.270 1.00 0.00 H new ATOM 0 HA PHE A 49 -10.388 -5.853 -4.318 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -9.642 -3.764 -3.748 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -11.389 -3.684 -3.626 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -11.952 -4.672 -0.926 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -8.775 -2.210 -2.335 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -11.773 -3.621 1.290 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.582 -1.178 -0.119 1.00 0.00 H new ATOM 0 HZ PHE A 49 -10.088 -1.875 1.694 1.00 0.00 H new ATOM 674 N GLU A 50 -9.924 -7.001 -1.383 1.00 0.00 N ATOM 675 CA GLU A 50 -9.001 -7.766 -0.559 1.00 0.00 C ATOM 676 C GLU A 50 -8.536 -8.995 -1.332 1.00 0.00 C ATOM 677 O GLU A 50 -7.377 -9.403 -1.237 1.00 0.00 O ATOM 678 CB GLU A 50 -9.666 -8.203 0.748 1.00 0.00 C ATOM 679 CG GLU A 50 -9.424 -7.256 1.911 1.00 0.00 C ATOM 680 CD GLU A 50 -9.986 -7.785 3.214 1.00 0.00 C ATOM 681 OE1 GLU A 50 -9.273 -8.545 3.904 1.00 0.00 O ATOM 682 OE2 GLU A 50 -11.141 -7.443 3.547 1.00 0.00 O ATOM 0 H GLU A 50 -10.894 -7.021 -1.067 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.147 -7.134 -0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.740 -8.294 0.585 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.299 -9.194 1.017 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.353 -7.088 2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.877 -6.290 1.689 1.00 0.00 H new ATOM 689 N SER A 51 -9.456 -9.583 -2.099 1.00 0.00 N ATOM 690 CA SER A 51 -9.153 -10.762 -2.901 1.00 0.00 C ATOM 691 C SER A 51 -8.483 -10.375 -4.218 1.00 0.00 C ATOM 692 O SER A 51 -7.635 -11.107 -4.730 1.00 0.00 O ATOM 693 CB SER A 51 -10.434 -11.548 -3.185 1.00 0.00 C ATOM 694 OG SER A 51 -10.165 -12.699 -3.965 1.00 0.00 O ATOM 0 H SER A 51 -10.419 -9.258 -2.179 1.00 0.00 H new ATOM 0 HA SER A 51 -8.462 -11.386 -2.334 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.899 -11.843 -2.244 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.147 -10.910 -3.707 1.00 0.00 H new ATOM 0 HG SER A 51 -11.000 -13.184 -4.131 1.00 0.00 H new ATOM 700 N THR A 52 -8.869 -9.222 -4.767 1.00 0.00 N ATOM 701 CA THR A 52 -8.304 -8.750 -6.030 1.00 0.00 C ATOM 702 C THR A 52 -6.806 -8.491 -5.898 1.00 0.00 C ATOM 703 O THR A 52 -6.066 -8.557 -6.879 1.00 0.00 O ATOM 704 CB THR A 52 -9.010 -7.469 -6.534 1.00 0.00 C ATOM 705 OG1 THR A 52 -8.962 -7.420 -7.965 1.00 0.00 O ATOM 706 CG2 THR A 52 -8.364 -6.206 -5.970 1.00 0.00 C ATOM 0 H THR A 52 -9.567 -8.601 -4.358 1.00 0.00 H new ATOM 0 HA THR A 52 -8.467 -9.541 -6.762 1.00 0.00 H new ATOM 0 HB THR A 52 -10.044 -7.507 -6.190 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.412 -6.608 -8.280 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.889 -5.329 -6.348 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.422 -6.223 -4.882 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.319 -6.164 -6.277 1.00 0.00 H new ATOM 714 N CYS A 53 -6.367 -8.195 -4.679 1.00 0.00 N ATOM 715 CA CYS A 53 -4.947 -7.933 -4.425 1.00 0.00 C ATOM 716 C CYS A 53 -4.228 -9.226 -4.049 1.00 0.00 C ATOM 717 O CYS A 53 -3.198 -9.568 -4.630 1.00 0.00 O ATOM 718 CB CYS A 53 -4.740 -6.894 -3.313 1.00 0.00 C ATOM 719 SG CYS A 53 -3.003 -6.689 -2.832 1.00 0.00 S ATOM 0 H CYS A 53 -6.965 -8.130 -3.855 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.528 -7.529 -5.347 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.133 -5.933 -3.646 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.319 -7.189 -2.438 1.00 0.00 H new ATOM 724 N ALA A 54 -4.781 -9.937 -3.066 1.00 0.00 N ATOM 725 CA ALA A 54 -4.207 -11.194 -2.598 1.00 0.00 C ATOM 726 C ALA A 54 -4.036 -12.192 -3.739 1.00 0.00 C ATOM 727 O ALA A 54 -3.346 -13.203 -3.591 1.00 0.00 O ATOM 728 CB ALA A 54 -5.078 -11.792 -1.505 1.00 0.00 C ATOM 0 H ALA A 54 -5.632 -9.659 -2.577 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.218 -10.979 -2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.640 -12.730 -1.163 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.142 -11.095 -0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.077 -11.980 -1.898 1.00 0.00 H new ATOM 734 N ALA A 55 -4.678 -11.909 -4.868 1.00 0.00 N ATOM 735 CA ALA A 55 -4.594 -12.776 -6.039 1.00 0.00 C ATOM 736 C ALA A 55 -3.143 -13.118 -6.361 1.00 0.00 C ATOM 737 O ALA A 55 -2.810 -14.274 -6.624 1.00 0.00 O ATOM 738 CB ALA A 55 -5.251 -12.107 -7.234 1.00 0.00 C ATOM 0 H ALA A 55 -5.264 -11.084 -4.997 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.122 -13.703 -5.815 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.182 -12.763 -8.102 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.299 -11.910 -7.010 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.743 -11.167 -7.449 1.00 0.00 H new ATOM 744 N ILE A 56 -2.286 -12.102 -6.336 1.00 0.00 N ATOM 745 CA ILE A 56 -0.864 -12.294 -6.617 1.00 0.00 C ATOM 746 C ILE A 56 -0.078 -12.516 -5.329 1.00 0.00 C ATOM 747 O ILE A 56 1.125 -12.778 -5.361 1.00 0.00 O ATOM 748 CB ILE A 56 -0.260 -11.098 -7.388 1.00 0.00 C ATOM 749 CG1 ILE A 56 -0.851 -9.782 -6.875 1.00 0.00 C ATOM 750 CG2 ILE A 56 -0.511 -11.250 -8.881 1.00 0.00 C ATOM 751 CD1 ILE A 56 -0.029 -8.565 -7.242 1.00 0.00 C ATOM 0 H ILE A 56 -2.549 -11.139 -6.125 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.786 -13.181 -7.245 1.00 0.00 H new ATOM 0 HB ILE A 56 0.817 -11.082 -7.219 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.858 -9.665 -7.276 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.944 -9.834 -5.790 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.080 -10.400 -9.411 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.049 -12.171 -9.236 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.584 -11.287 -9.068 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.508 -7.670 -6.846 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.971 -8.660 -6.818 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.043 -8.488 -8.327 1.00 0.00 H new ATOM 763 N GLY A 57 -0.768 -12.409 -4.194 1.00 0.00 N ATOM 764 CA GLY A 57 -0.123 -12.617 -2.905 1.00 0.00 C ATOM 765 C GLY A 57 0.159 -11.323 -2.161 1.00 0.00 C ATOM 766 O GLY A 57 1.134 -11.232 -1.416 1.00 0.00 O ATOM 0 H GLY A 57 -1.761 -12.182 -4.143 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.757 -13.253 -2.287 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.814 -13.153 -3.057 1.00 0.00 H new ATOM 770 N GLN A 58 -0.701 -10.327 -2.351 1.00 0.00 N ATOM 771 CA GLN A 58 -0.539 -9.035 -1.691 1.00 0.00 C ATOM 772 C GLN A 58 -1.775 -8.708 -0.848 1.00 0.00 C ATOM 773 O GLN A 58 -2.537 -9.606 -0.493 1.00 0.00 O ATOM 774 CB GLN A 58 -0.276 -7.949 -2.741 1.00 0.00 C ATOM 775 CG GLN A 58 1.071 -8.069 -3.444 1.00 0.00 C ATOM 776 CD GLN A 58 2.203 -8.490 -2.524 1.00 0.00 C ATOM 777 OE1 GLN A 58 2.588 -7.756 -1.616 1.00 0.00 O ATOM 778 NE2 GLN A 58 2.750 -9.676 -2.771 1.00 0.00 N ATOM 0 H GLN A 58 -1.519 -10.390 -2.958 1.00 0.00 H new ATOM 0 HA GLN A 58 0.318 -9.077 -1.018 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.068 -7.984 -3.489 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.336 -6.973 -2.260 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.985 -8.793 -4.255 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.321 -7.110 -3.898 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.397 -10.251 -3.536 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.523 -10.011 -2.196 1.00 0.00 H new ATOM 787 N ARG A 59 -1.979 -7.427 -0.521 1.00 0.00 N ATOM 788 CA ARG A 59 -3.129 -7.034 0.299 1.00 0.00 C ATOM 789 C ARG A 59 -3.572 -5.597 0.055 1.00 0.00 C ATOM 790 O ARG A 59 -2.823 -4.770 -0.466 1.00 0.00 O ATOM 791 CB ARG A 59 -2.780 -7.193 1.779 1.00 0.00 C ATOM 792 CG ARG A 59 -1.816 -6.126 2.273 1.00 0.00 C ATOM 793 CD ARG A 59 -0.478 -6.192 1.554 1.00 0.00 C ATOM 794 NE ARG A 59 0.117 -7.524 1.628 1.00 0.00 N ATOM 795 CZ ARG A 59 1.260 -7.790 2.252 1.00 0.00 C ATOM 796 NH1 ARG A 59 1.934 -6.820 2.856 1.00 0.00 N ATOM 797 NH2 ARG A 59 1.731 -9.030 2.274 1.00 0.00 N ATOM 0 H ARG A 59 -1.374 -6.657 -0.806 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.954 -7.687 0.015 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.695 -7.152 2.370 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.340 -8.177 1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.259 -5.141 2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.658 -6.248 3.345 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.614 -5.913 0.509 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.205 -5.465 1.992 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.373 -8.295 1.174 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.575 -5.865 2.843 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.811 -7.029 3.334 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.216 -9.779 1.812 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.608 -9.234 2.753 1.00 0.00 H new ATOM 811 N ALA A 60 -4.811 -5.327 0.456 1.00 0.00 N ATOM 812 CA ALA A 60 -5.405 -4.002 0.332 1.00 0.00 C ATOM 813 C ALA A 60 -4.818 -3.058 1.382 1.00 0.00 C ATOM 814 O ALA A 60 -4.798 -3.377 2.571 1.00 0.00 O ATOM 815 CB ALA A 60 -6.921 -4.096 0.479 1.00 0.00 C ATOM 0 H ALA A 60 -5.430 -6.021 0.876 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.175 -3.600 -0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.358 -3.102 0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.323 -4.744 -0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.167 -4.510 1.457 1.00 0.00 H new ATOM 821 N ARG A 61 -4.344 -1.897 0.936 1.00 0.00 N ATOM 822 CA ARG A 61 -3.744 -0.911 1.826 1.00 0.00 C ATOM 823 C ARG A 61 -4.232 0.489 1.469 1.00 0.00 C ATOM 824 O ARG A 61 -5.093 0.655 0.605 1.00 0.00 O ATOM 825 CB ARG A 61 -2.221 -0.946 1.703 1.00 0.00 C ATOM 826 CG ARG A 61 -1.616 -2.326 1.878 1.00 0.00 C ATOM 827 CD ARG A 61 -1.436 -2.682 3.341 1.00 0.00 C ATOM 828 NE ARG A 61 -0.236 -2.079 3.919 1.00 0.00 N ATOM 829 CZ ARG A 61 0.156 -2.273 5.177 1.00 0.00 C ATOM 830 NH1 ARG A 61 -0.568 -3.025 6.000 1.00 0.00 N ATOM 831 NH2 ARG A 61 1.273 -1.711 5.616 1.00 0.00 N ATOM 0 H ARG A 61 -4.365 -1.616 -0.044 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.036 -1.152 2.848 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.937 -0.558 0.724 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.792 -0.276 2.448 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.257 -3.067 1.400 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.651 -2.366 1.373 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.311 -2.353 3.902 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.380 -3.766 3.444 1.00 0.00 H new ATOM 0 HE ARG A 61 0.333 -1.476 3.325 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.430 -3.458 5.669 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.261 -3.169 6.962 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.832 -1.130 4.991 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.574 -1.859 6.579 1.00 0.00 H new ATOM 845 N CYS A 62 -3.677 1.490 2.141 1.00 0.00 N ATOM 846 CA CYS A 62 -4.026 2.880 1.874 1.00 0.00 C ATOM 847 C CYS A 62 -2.813 3.779 2.128 1.00 0.00 C ATOM 848 O CYS A 62 -2.373 3.927 3.267 1.00 0.00 O ATOM 849 CB CYS A 62 -5.212 3.327 2.736 1.00 0.00 C ATOM 850 SG CYS A 62 -6.529 4.154 1.783 1.00 0.00 S ATOM 0 H CYS A 62 -2.982 1.365 2.877 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.322 2.966 0.828 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -5.631 2.458 3.243 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.854 4.005 3.510 1.00 0.00 H new ATOM 855 N CYS A 63 -2.275 4.375 1.062 1.00 0.00 N ATOM 856 CA CYS A 63 -1.104 5.236 1.163 1.00 0.00 C ATOM 857 C CYS A 63 -1.480 6.677 0.891 1.00 0.00 C ATOM 858 O CYS A 63 -2.577 6.949 0.404 1.00 0.00 O ATOM 859 CB CYS A 63 -0.052 4.763 0.172 1.00 0.00 C ATOM 860 SG CYS A 63 -0.118 2.972 -0.164 1.00 0.00 S ATOM 0 H CYS A 63 -2.638 4.273 0.114 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.700 5.180 2.174 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.178 5.305 -0.765 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.936 5.016 0.556 1.00 0.00 H new ATOM 865 N LYS A 64 -0.574 7.612 1.176 1.00 0.00 N ATOM 866 CA LYS A 64 -0.902 9.011 0.950 1.00 0.00 C ATOM 867 C LYS A 64 -0.458 9.435 -0.456 1.00 0.00 C ATOM 868 O LYS A 64 -0.330 8.593 -1.345 1.00 0.00 O ATOM 869 CB LYS A 64 -0.263 9.932 1.996 1.00 0.00 C ATOM 870 CG LYS A 64 -0.085 9.386 3.403 1.00 0.00 C ATOM 871 CD LYS A 64 1.218 8.604 3.563 1.00 0.00 C ATOM 872 CE LYS A 64 2.396 9.401 3.053 1.00 0.00 C ATOM 873 NZ LYS A 64 3.709 8.835 3.477 1.00 0.00 N ATOM 0 H LYS A 64 0.358 7.433 1.550 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.984 9.109 1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.718 10.231 1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.868 10.836 2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.100 10.211 4.115 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.927 8.738 3.648 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.370 8.356 4.613 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.150 7.662 3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.358 9.440 1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.316 10.427 3.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.269 9.573 3.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.550 8.045 4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.225 8.491 2.642 1.00 0.00 H new ATOM 887 N ASP A 65 -0.249 10.746 -0.648 1.00 0.00 N ATOM 888 CA ASP A 65 0.191 11.310 -1.932 1.00 0.00 C ATOM 889 C ASP A 65 -0.965 11.454 -2.924 1.00 0.00 C ATOM 890 O ASP A 65 -1.191 12.536 -3.464 1.00 0.00 O ATOM 891 CB ASP A 65 1.323 10.477 -2.550 1.00 0.00 C ATOM 892 CG ASP A 65 1.867 11.100 -3.821 1.00 0.00 C ATOM 893 OD1 ASP A 65 1.297 10.839 -4.901 1.00 0.00 O ATOM 894 OD2 ASP A 65 2.861 11.850 -3.736 1.00 0.00 O ATOM 0 H ASP A 65 -0.380 11.445 0.083 1.00 0.00 H new ATOM 0 HA ASP A 65 0.572 12.309 -1.719 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.130 10.371 -1.825 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.956 9.474 -2.768 1.00 0.00 H new ATOM 899 N ASP A 66 -1.693 10.367 -3.162 1.00 0.00 N ATOM 900 CA ASP A 66 -2.819 10.383 -4.095 1.00 0.00 C ATOM 901 C ASP A 66 -4.061 11.025 -3.474 1.00 0.00 C ATOM 902 O ASP A 66 -5.188 10.701 -3.848 1.00 0.00 O ATOM 903 CB ASP A 66 -3.139 8.961 -4.555 1.00 0.00 C ATOM 904 CG ASP A 66 -3.133 7.971 -3.407 1.00 0.00 C ATOM 905 OD1 ASP A 66 -3.691 8.297 -2.339 1.00 0.00 O ATOM 906 OD2 ASP A 66 -2.569 6.870 -3.577 1.00 0.00 O ATOM 0 H ASP A 66 -1.524 9.462 -2.722 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.528 10.987 -4.955 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.116 8.949 -5.038 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.410 8.651 -5.304 1.00 0.00 H new ATOM 911 N VAL A 67 -3.850 11.935 -2.526 1.00 0.00 N ATOM 912 CA VAL A 67 -4.954 12.611 -1.854 1.00 0.00 C ATOM 913 C VAL A 67 -5.321 13.918 -2.554 1.00 0.00 C ATOM 914 O VAL A 67 -6.449 14.397 -2.438 1.00 0.00 O ATOM 915 CB VAL A 67 -4.610 12.911 -0.383 1.00 0.00 C ATOM 916 CG1 VAL A 67 -4.332 11.621 0.370 1.00 0.00 C ATOM 917 CG2 VAL A 67 -3.422 13.856 -0.292 1.00 0.00 C ATOM 0 H VAL A 67 -2.924 12.220 -2.207 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.807 11.934 -1.896 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.467 13.400 0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.091 11.850 1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.214 10.982 0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.491 11.104 -0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.195 14.055 0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.556 13.399 -0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.662 14.792 -0.796 1.00 0.00 H new ATOM 927 N THR A 68 -4.364 14.489 -3.279 1.00 0.00 N ATOM 928 CA THR A 68 -4.594 15.744 -3.988 1.00 0.00 C ATOM 929 C THR A 68 -4.516 15.547 -5.499 1.00 0.00 C ATOM 930 O THR A 68 -4.481 16.513 -6.260 1.00 0.00 O ATOM 931 CB THR A 68 -3.583 16.834 -3.567 1.00 0.00 C ATOM 932 OG1 THR A 68 -3.966 18.096 -4.125 1.00 0.00 O ATOM 933 CG2 THR A 68 -2.171 16.487 -4.022 1.00 0.00 C ATOM 0 H THR A 68 -3.426 14.105 -3.391 1.00 0.00 H new ATOM 0 HA THR A 68 -5.597 16.074 -3.718 1.00 0.00 H new ATOM 0 HB THR A 68 -3.589 16.893 -2.479 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.344 17.957 -5.019 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.484 17.274 -3.710 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.866 15.541 -3.574 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.150 16.397 -5.108 1.00 0.00 H new ATOM 941 N ASN A 69 -4.493 14.288 -5.923 1.00 0.00 N ATOM 942 CA ASN A 69 -4.423 13.959 -7.342 1.00 0.00 C ATOM 943 C ASN A 69 -4.723 12.482 -7.572 1.00 0.00 C ATOM 944 O ASN A 69 -3.909 11.616 -7.252 1.00 0.00 O ATOM 945 CB ASN A 69 -3.041 14.307 -7.901 1.00 0.00 C ATOM 946 CG ASN A 69 -2.897 13.940 -9.365 1.00 0.00 C ATOM 947 OD1 ASN A 69 -3.199 14.740 -10.250 1.00 0.00 O ATOM 948 ND2 ASN A 69 -2.436 12.723 -9.626 1.00 0.00 N ATOM 0 H ASN A 69 -4.522 13.478 -5.304 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.176 14.549 -7.865 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -2.862 15.375 -7.778 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.277 13.787 -7.323 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.320 12.418 -10.592 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.198 12.093 -8.860 1.00 0.00 H new ATOM 955 N THR A 70 -5.899 12.202 -8.127 1.00 0.00 N ATOM 956 CA THR A 70 -6.312 10.835 -8.402 1.00 0.00 C ATOM 957 C THR A 70 -5.394 10.174 -9.424 1.00 0.00 C ATOM 958 O THR A 70 -5.306 8.947 -9.492 1.00 0.00 O ATOM 959 CB THR A 70 -7.759 10.793 -8.924 1.00 0.00 C ATOM 960 OG1 THR A 70 -7.856 11.516 -10.158 1.00 0.00 O ATOM 961 CG2 THR A 70 -8.721 11.388 -7.906 1.00 0.00 C ATOM 0 H THR A 70 -6.583 12.909 -8.395 1.00 0.00 H new ATOM 0 HA THR A 70 -6.250 10.286 -7.462 1.00 0.00 H new ATOM 0 HB THR A 70 -8.031 9.751 -9.090 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.779 11.483 -10.485 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.737 11.347 -8.298 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.667 10.819 -6.978 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.449 12.425 -7.711 1.00 0.00 H new ATOM 969 N GLY A 71 -4.712 10.994 -10.218 1.00 0.00 N ATOM 970 CA GLY A 71 -3.810 10.472 -11.229 1.00 0.00 C ATOM 971 C GLY A 71 -2.604 9.772 -10.630 1.00 0.00 C ATOM 972 O GLY A 71 -1.853 9.103 -11.340 1.00 0.00 O ATOM 0 H GLY A 71 -4.768 12.012 -10.179 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.351 9.773 -11.867 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.472 11.289 -11.866 1.00 0.00 H new ATOM 976 N ASN A 72 -2.417 9.928 -9.322 1.00 0.00 N ATOM 977 CA ASN A 72 -1.294 9.304 -8.632 1.00 0.00 C ATOM 978 C ASN A 72 -1.552 7.818 -8.401 1.00 0.00 C ATOM 979 O ASN A 72 -2.022 7.416 -7.336 1.00 0.00 O ATOM 980 CB ASN A 72 -1.032 10.003 -7.294 1.00 0.00 C ATOM 981 CG ASN A 72 -0.472 11.400 -7.470 1.00 0.00 C ATOM 982 OD1 ASN A 72 0.215 11.688 -8.450 1.00 0.00 O ATOM 983 ND2 ASN A 72 -0.760 12.277 -6.516 1.00 0.00 N ATOM 0 H ASN A 72 -3.028 10.480 -8.720 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.413 9.407 -9.265 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.962 10.056 -6.727 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.334 9.406 -6.706 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.408 13.232 -6.578 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.333 11.996 -5.721 1.00 0.00 H new ATOM 990 N SER A 73 -1.242 7.007 -9.408 1.00 0.00 N ATOM 991 CA SER A 73 -1.434 5.564 -9.317 1.00 0.00 C ATOM 992 C SER A 73 -0.174 4.886 -8.784 1.00 0.00 C ATOM 993 O SER A 73 -0.156 4.390 -7.657 1.00 0.00 O ATOM 994 CB SER A 73 -1.805 4.989 -10.684 1.00 0.00 C ATOM 995 OG SER A 73 -1.855 3.573 -10.647 1.00 0.00 O ATOM 0 H SER A 73 -0.856 7.325 -10.297 1.00 0.00 H new ATOM 0 HA SER A 73 -2.251 5.370 -8.622 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.773 5.382 -10.996 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.075 5.311 -11.427 1.00 0.00 H new ATOM 0 HG SER A 73 -2.096 3.231 -11.533 1.00 0.00 H new ATOM 1001 N PHE A 74 0.876 4.870 -9.599 1.00 0.00 N ATOM 1002 CA PHE A 74 2.145 4.251 -9.191 1.00 0.00 C ATOM 1003 C PHE A 74 3.000 5.231 -8.394 1.00 0.00 C ATOM 1004 O PHE A 74 3.262 6.347 -8.842 1.00 0.00 O ATOM 1005 CB PHE A 74 2.955 3.737 -10.395 1.00 0.00 C ATOM 1006 CG PHE A 74 3.794 2.533 -10.066 1.00 0.00 C ATOM 1007 CD1 PHE A 74 4.648 2.552 -8.974 1.00 0.00 C ATOM 1008 CD2 PHE A 74 3.734 1.387 -10.844 1.00 0.00 C ATOM 1009 CE1 PHE A 74 5.423 1.458 -8.661 1.00 0.00 C ATOM 1010 CE2 PHE A 74 4.509 0.285 -10.536 1.00 0.00 C ATOM 1011 CZ PHE A 74 5.355 0.320 -9.443 1.00 0.00 C ATOM 0 H PHE A 74 0.881 5.272 -10.536 1.00 0.00 H new ATOM 0 HA PHE A 74 1.884 3.399 -8.564 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.271 3.486 -11.206 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.602 4.536 -10.759 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.706 3.438 -8.360 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.075 1.355 -11.699 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.083 1.489 -7.806 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.454 -0.603 -11.149 1.00 0.00 H new ATOM 0 HZ PHE A 74 5.962 -0.540 -9.201 1.00 0.00 H new ATOM 1021 N LEU A 75 3.435 4.803 -7.210 1.00 0.00 N ATOM 1022 CA LEU A 75 4.270 5.638 -6.355 1.00 0.00 C ATOM 1023 C LEU A 75 5.271 4.796 -5.570 1.00 0.00 C ATOM 1024 O LEU A 75 5.047 3.612 -5.317 1.00 0.00 O ATOM 1025 CB LEU A 75 3.411 6.437 -5.369 1.00 0.00 C ATOM 1026 CG LEU A 75 2.320 7.304 -5.999 1.00 0.00 C ATOM 1027 CD1 LEU A 75 1.298 7.718 -4.952 1.00 0.00 C ATOM 1028 CD2 LEU A 75 2.933 8.532 -6.658 1.00 0.00 C ATOM 0 H LEU A 75 3.222 3.884 -6.823 1.00 0.00 H new ATOM 0 HA LEU A 75 4.813 6.324 -7.005 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.941 5.740 -4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.066 7.079 -4.781 1.00 0.00 H new ATOM 0 HG LEU A 75 1.811 6.717 -6.764 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.529 8.334 -5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.838 6.829 -4.521 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.793 8.288 -4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.144 9.139 -7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.465 9.119 -5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.630 8.218 -7.435 1.00 0.00 H new ATOM 1040 N ILE A 76 6.376 5.426 -5.191 1.00 0.00 N ATOM 1041 CA ILE A 76 7.414 4.775 -4.401 1.00 0.00 C ATOM 1042 C ILE A 76 7.315 5.301 -2.982 1.00 0.00 C ATOM 1043 O ILE A 76 7.580 6.480 -2.741 1.00 0.00 O ATOM 1044 CB ILE A 76 8.828 5.065 -4.949 1.00 0.00 C ATOM 1045 CG1 ILE A 76 8.911 4.737 -6.444 1.00 0.00 C ATOM 1046 CG2 ILE A 76 9.867 4.279 -4.163 1.00 0.00 C ATOM 1047 CD1 ILE A 76 8.688 3.276 -6.767 1.00 0.00 C ATOM 0 H ILE A 76 6.578 6.399 -5.421 1.00 0.00 H new ATOM 0 HA ILE A 76 7.262 3.697 -4.444 1.00 0.00 H new ATOM 0 HB ILE A 76 9.035 6.128 -4.829 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.171 5.334 -6.978 1.00 0.00 H new ATOM 0 HG13 ILE A 76 9.891 5.036 -6.817 1.00 0.00 H new ATOM 0 HG21 ILE A 76 10.860 4.492 -4.559 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.825 4.569 -3.113 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.661 3.212 -4.253 1.00 0.00 H new ATOM 0 HD11 ILE A 76 8.763 3.126 -7.844 1.00 0.00 H new ATOM 0 HD12 ILE A 76 9.443 2.673 -6.263 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.697 2.975 -6.427 1.00 0.00 H new ATOM 1059 N ILE A 77 6.947 4.448 -2.036 1.00 0.00 N ATOM 1060 CA ILE A 77 6.762 4.918 -0.673 1.00 0.00 C ATOM 1061 C ILE A 77 7.098 3.889 0.392 1.00 0.00 C ATOM 1062 O ILE A 77 7.069 2.683 0.161 1.00 0.00 O ATOM 1063 CB ILE A 77 5.309 5.364 -0.480 1.00 0.00 C ATOM 1064 CG1 ILE A 77 4.366 4.379 -1.198 1.00 0.00 C ATOM 1065 CG2 ILE A 77 5.124 6.791 -0.978 1.00 0.00 C ATOM 1066 CD1 ILE A 77 3.160 5.033 -1.830 1.00 0.00 C ATOM 0 H ILE A 77 6.775 3.453 -2.181 1.00 0.00 H new ATOM 0 HA ILE A 77 7.461 5.745 -0.544 1.00 0.00 H new ATOM 0 HB ILE A 77 5.061 5.356 0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.927 3.852 -1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.027 3.630 -0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.087 7.095 -0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.779 7.459 -0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.374 6.842 -2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.547 4.274 -2.315 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.574 5.536 -1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.488 5.762 -2.571 1.00 0.00 H new ATOM 1078 N ASN A 78 7.381 4.405 1.580 1.00 0.00 N ATOM 1079 CA ASN A 78 7.723 3.588 2.730 1.00 0.00 C ATOM 1080 C ASN A 78 6.564 2.673 3.104 1.00 0.00 C ATOM 1081 O ASN A 78 5.406 2.970 2.810 1.00 0.00 O ATOM 1082 CB ASN A 78 8.069 4.498 3.912 1.00 0.00 C ATOM 1083 CG ASN A 78 8.976 3.820 4.921 1.00 0.00 C ATOM 1084 OD1 ASN A 78 9.713 2.893 4.584 1.00 0.00 O ATOM 1085 ND2 ASN A 78 8.936 4.284 6.164 1.00 0.00 N ATOM 0 H ASN A 78 7.379 5.407 1.771 1.00 0.00 H new ATOM 0 HA ASN A 78 8.583 2.967 2.479 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.554 5.401 3.541 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.150 4.810 4.407 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.531 3.870 6.882 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.311 5.054 6.401 1.00 0.00 H new ATOM 1092 N ALA A 79 6.883 1.556 3.748 1.00 0.00 N ATOM 1093 CA ALA A 79 5.864 0.604 4.170 1.00 0.00 C ATOM 1094 C ALA A 79 4.982 1.213 5.250 1.00 0.00 C ATOM 1095 O ALA A 79 3.933 0.666 5.594 1.00 0.00 O ATOM 1096 CB ALA A 79 6.507 -0.683 4.663 1.00 0.00 C ATOM 0 H ALA A 79 7.837 1.288 3.989 1.00 0.00 H new ATOM 0 HA ALA A 79 5.238 0.365 3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.730 -1.382 4.974 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.094 -1.127 3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.158 -0.464 5.510 1.00 0.00 H new ATOM 1102 N ALA A 80 5.419 2.349 5.785 1.00 0.00 N ATOM 1103 CA ALA A 80 4.671 3.044 6.822 1.00 0.00 C ATOM 1104 C ALA A 80 3.717 4.060 6.208 1.00 0.00 C ATOM 1105 O ALA A 80 2.887 4.646 6.903 1.00 0.00 O ATOM 1106 CB ALA A 80 5.619 3.729 7.794 1.00 0.00 C ATOM 0 H ALA A 80 6.290 2.807 5.515 1.00 0.00 H new ATOM 0 HA ALA A 80 4.083 2.308 7.370 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.043 4.244 8.563 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.262 2.983 8.261 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.232 4.452 7.256 1.00 0.00 H new ATOM 1112 N ASN A 81 3.846 4.274 4.900 1.00 0.00 N ATOM 1113 CA ASN A 81 2.983 5.214 4.197 1.00 0.00 C ATOM 1114 C ASN A 81 1.632 4.568 3.908 1.00 0.00 C ATOM 1115 O ASN A 81 0.618 5.253 3.784 1.00 0.00 O ATOM 1116 CB ASN A 81 3.648 5.694 2.894 1.00 0.00 C ATOM 1117 CG ASN A 81 2.765 5.585 1.684 1.00 0.00 C ATOM 1118 OD1 ASN A 81 2.688 4.527 1.079 1.00 0.00 O ATOM 1119 ND2 ASN A 81 2.130 6.682 1.299 1.00 0.00 N ATOM 0 H ASN A 81 4.537 3.810 4.310 1.00 0.00 H new ATOM 0 HA ASN A 81 2.824 6.085 4.833 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.955 6.733 3.015 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.554 5.112 2.724 1.00 0.00 H new ATOM 0 HD21 ASN A 81 1.545 6.666 0.463 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.226 7.543 1.838 1.00 0.00 H new ATOM 1126 N CYS A 82 1.634 3.240 3.813 1.00 0.00 N ATOM 1127 CA CYS A 82 0.414 2.485 3.545 1.00 0.00 C ATOM 1128 C CYS A 82 -0.029 1.722 4.796 1.00 0.00 C ATOM 1129 O CYS A 82 0.697 0.857 5.286 1.00 0.00 O ATOM 1130 CB CYS A 82 0.644 1.493 2.400 1.00 0.00 C ATOM 1131 SG CYS A 82 1.426 2.208 0.917 1.00 0.00 S ATOM 0 H CYS A 82 2.469 2.664 3.918 1.00 0.00 H new ATOM 0 HA CYS A 82 -0.367 3.190 3.261 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.267 0.677 2.765 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.315 1.059 2.115 1.00 0.00 H new ATOM 1136 N GLN A 83 -1.214 2.043 5.311 1.00 0.00 N ATOM 1137 CA GLN A 83 -1.739 1.374 6.500 1.00 0.00 C ATOM 1138 C GLN A 83 -3.049 0.652 6.191 1.00 0.00 C ATOM 1139 O GLN A 83 -3.912 1.185 5.492 1.00 0.00 O ATOM 1140 CB GLN A 83 -1.963 2.388 7.630 1.00 0.00 C ATOM 1141 CG GLN A 83 -0.769 2.535 8.566 1.00 0.00 C ATOM 1142 CD GLN A 83 0.480 3.004 7.848 1.00 0.00 C ATOM 1143 OE1 GLN A 83 0.404 3.734 6.860 1.00 0.00 O ATOM 1144 NE2 GLN A 83 1.638 2.585 8.344 1.00 0.00 N ATOM 0 H GLN A 83 -1.828 2.760 4.925 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.003 0.636 6.819 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.193 3.360 7.194 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.834 2.085 8.211 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -1.017 3.243 9.356 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.569 1.578 9.047 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.652 1.980 9.165 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.514 2.868 7.904 1.00 0.00 H new ATOM 1153 N THR A 84 -3.184 -0.565 6.715 1.00 0.00 N ATOM 1154 CA THR A 84 -4.387 -1.365 6.508 1.00 0.00 C ATOM 1155 C THR A 84 -5.642 -0.570 6.873 1.00 0.00 C ATOM 1156 O THR A 84 -5.700 0.043 7.939 1.00 0.00 O ATOM 1157 CB THR A 84 -4.353 -2.655 7.350 1.00 0.00 C ATOM 1158 OG1 THR A 84 -2.997 -3.069 7.560 1.00 0.00 O ATOM 1159 CG2 THR A 84 -5.122 -3.772 6.659 1.00 0.00 C ATOM 0 H THR A 84 -2.472 -1.019 7.288 1.00 0.00 H new ATOM 0 HA THR A 84 -4.417 -1.628 5.451 1.00 0.00 H new ATOM 0 HB THR A 84 -4.824 -2.446 8.311 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.985 -3.888 8.097 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.084 -4.673 7.272 1.00 0.00 H new ATOM 0 HG22 THR A 84 -6.160 -3.469 6.523 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.673 -3.975 5.687 1.00 0.00 H new ATOM 1167 N PRO A 85 -6.669 -0.569 5.997 1.00 0.00 N ATOM 1168 CA PRO A 85 -7.914 0.165 6.249 1.00 0.00 C ATOM 1169 C PRO A 85 -8.647 -0.345 7.488 1.00 0.00 C ATOM 1170 O PRO A 85 -8.666 -1.546 7.758 1.00 0.00 O ATOM 1171 CB PRO A 85 -8.754 -0.084 4.990 1.00 0.00 C ATOM 1172 CG PRO A 85 -8.159 -1.291 4.349 1.00 0.00 C ATOM 1173 CD PRO A 85 -6.699 -1.278 4.705 1.00 0.00 C ATOM 0 HA PRO A 85 -7.724 1.221 6.441 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.801 -0.250 5.243 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.720 0.774 4.319 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.640 -2.200 4.710 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.296 -1.265 3.268 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.297 -2.288 4.791 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -6.106 -0.762 3.950 1.00 0.00 H new ATOM 1181 N ALA A 86 -9.252 0.576 8.239 1.00 0.00 N ATOM 1182 CA ALA A 86 -9.982 0.218 9.449 1.00 0.00 C ATOM 1183 C ALA A 86 -11.274 -0.521 9.113 1.00 0.00 C ATOM 1184 O ALA A 86 -12.098 -0.027 8.342 1.00 0.00 O ATOM 1185 CB ALA A 86 -10.287 1.463 10.270 1.00 0.00 C ATOM 0 H ALA A 86 -9.249 1.574 8.028 1.00 0.00 H new ATOM 0 HA ALA A 86 -9.352 -0.449 10.038 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.832 1.180 11.170 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.354 1.952 10.549 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.894 2.149 9.679 1.00 0.00 H new ATOM 1191 N GLY A 87 -11.444 -1.704 9.695 1.00 0.00 N ATOM 1192 CA GLY A 87 -12.640 -2.489 9.444 1.00 0.00 C ATOM 1193 C GLY A 87 -12.414 -3.586 8.419 1.00 0.00 C ATOM 1194 O GLY A 87 -13.254 -4.471 8.256 1.00 0.00 O ATOM 0 H GLY A 87 -10.776 -2.133 10.335 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -12.980 -2.935 10.379 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -13.436 -1.830 9.096 1.00 0.00 H new ATOM 1198 N LEU A 88 -11.278 -3.526 7.726 1.00 0.00 N ATOM 1199 CA LEU A 88 -10.943 -4.520 6.712 1.00 0.00 C ATOM 1200 C LEU A 88 -10.963 -5.927 7.300 1.00 0.00 C ATOM 1201 O LEU A 88 -11.994 -6.616 7.150 1.00 0.00 O ATOM 1202 CB LEU A 88 -9.564 -4.224 6.116 1.00 0.00 C ATOM 1203 CG LEU A 88 -9.197 -5.044 4.878 1.00 0.00 C ATOM 1204 CD1 LEU A 88 -9.799 -4.429 3.628 1.00 0.00 C ATOM 1205 CD2 LEU A 88 -7.687 -5.162 4.743 1.00 0.00 C ATOM 1206 OXT LEU A 88 -9.947 -6.330 7.906 1.00 0.00 O ATOM 0 H LEU A 88 -10.574 -2.798 7.850 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.693 -4.465 5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -9.518 -3.166 5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.810 -4.398 6.883 1.00 0.00 H new ATOM 0 HG LEU A 88 -9.610 -6.046 4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -9.525 -5.028 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -10.885 -4.402 3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -9.420 -3.415 3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.446 -5.749 3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.251 -4.167 4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.280 -5.655 5.626 1.00 0.00 H new TER 1218 LEU A 88