USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 550 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 61 THR OG1 : rot -33:sc= -3.23! USER MOD Set 1.2: A 68 SER OG : rot 118:sc= -2.33! USER MOD Set 2.1: A 55 GLN : amide:sc= -0.79 K(o=0.096,f=-14!) USER MOD Set 2.2: A 59 LYS NZ :NH3+ -162:sc= 0.886 (180deg=0) USER MOD Set 3.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 72 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Set 4.1: A 4 THR OG1 : rot 64:sc= 0.479! USER MOD Set 4.2: A 46 THR OG1 : rot -3:sc= 0.113 USER MOD Set 5.1: A 1 ALA N :NH3+ -152:sc= 0.259 (180deg=0) USER MOD Set 5.2: A 53 SER OG : rot 180:sc= -0.559 USER MOD Single : A 2 THR OG1 : rot 180:sc= -3.87! USER MOD Single : A 3 GLN : amide:sc= -0.135 X(o=-0.14,f=0) USER MOD Single : A 12 MET CE :methyl -106:sc=-0.00846 (180deg=-0.946) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 147:sc= 1.21 USER MOD Single : A 22 LYS NZ :NH3+ -153:sc= -0.0564 (180deg=-0.517) USER MOD Single : A 23 LYS NZ :NH3+ -128:sc= -0.0584 (180deg=-1.21!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.0581 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 47:sc= -1.09! USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 105:sc= -0.0131 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -66:sc= -0.989! USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 53:sc= 0.0195 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -24.788 -5.593 -9.036 1.00 0.00 N ATOM 2 CA ALA A 1 -25.134 -7.043 -9.038 1.00 0.00 C ATOM 3 C ALA A 1 -23.864 -7.869 -9.247 1.00 0.00 C ATOM 4 O ALA A 1 -22.936 -7.439 -9.902 1.00 0.00 O ATOM 5 CB ALA A 1 -26.122 -7.330 -10.170 1.00 0.00 C ATOM 0 H1 ALA A 1 -25.476 -5.073 -8.455 1.00 0.00 H new ATOM 0 H2 ALA A 1 -23.834 -5.464 -8.642 1.00 0.00 H new ATOM 0 H3 ALA A 1 -24.812 -5.229 -10.010 1.00 0.00 H new ATOM 0 HA ALA A 1 -25.588 -7.310 -8.084 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -26.375 -8.390 -10.172 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -27.027 -6.741 -10.021 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -25.669 -7.064 -11.125 1.00 0.00 H new ATOM 13 N THR A 2 -23.819 -9.054 -8.697 1.00 0.00 N ATOM 14 CA THR A 2 -22.611 -9.915 -8.860 1.00 0.00 C ATOM 15 C THR A 2 -22.109 -9.814 -10.296 1.00 0.00 C ATOM 16 O THR A 2 -22.838 -10.097 -11.226 1.00 0.00 O ATOM 17 CB THR A 2 -22.987 -11.373 -8.572 1.00 0.00 C ATOM 18 OG1 THR A 2 -21.972 -12.232 -9.072 1.00 0.00 O ATOM 19 CG2 THR A 2 -24.314 -11.700 -9.258 1.00 0.00 C ATOM 0 H THR A 2 -24.569 -9.464 -8.140 1.00 0.00 H new ATOM 0 HA THR A 2 -21.834 -9.585 -8.170 1.00 0.00 H new ATOM 0 HB THR A 2 -23.087 -11.517 -7.496 1.00 0.00 H new ATOM 0 HG1 THR A 2 -22.212 -13.164 -8.887 1.00 0.00 H new ATOM 0 HG21 THR A 2 -24.583 -12.736 -9.054 1.00 0.00 H new ATOM 0 HG22 THR A 2 -25.093 -11.041 -8.876 1.00 0.00 H new ATOM 0 HG23 THR A 2 -24.213 -11.556 -10.334 1.00 0.00 H new ATOM 27 N GLN A 3 -20.879 -9.416 -10.511 1.00 0.00 N ATOM 28 CA GLN A 3 -20.418 -9.327 -11.917 1.00 0.00 C ATOM 29 C GLN A 3 -18.895 -9.257 -12.017 1.00 0.00 C ATOM 30 O GLN A 3 -18.199 -8.811 -11.121 1.00 0.00 O ATOM 31 CB GLN A 3 -21.027 -8.086 -12.573 1.00 0.00 C ATOM 32 CG GLN A 3 -21.888 -8.508 -13.765 1.00 0.00 C ATOM 33 CD GLN A 3 -22.102 -7.309 -14.691 1.00 0.00 C ATOM 34 OE1 GLN A 3 -22.117 -7.453 -15.897 1.00 0.00 O ATOM 35 NE2 GLN A 3 -22.269 -6.123 -14.173 1.00 0.00 N ATOM 0 H GLN A 3 -20.199 -9.158 -9.796 1.00 0.00 H new ATOM 0 HA GLN A 3 -20.744 -10.230 -12.432 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -21.632 -7.539 -11.850 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -20.237 -7.411 -12.903 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -21.403 -9.319 -14.309 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -22.848 -8.888 -13.417 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -22.256 -6.002 -13.160 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -22.412 -5.317 -14.781 1.00 0.00 H new ATOM 44 N THR A 4 -18.398 -9.697 -13.137 1.00 0.00 N ATOM 45 CA THR A 4 -16.938 -9.691 -13.413 1.00 0.00 C ATOM 46 C THR A 4 -16.701 -8.732 -14.586 1.00 0.00 C ATOM 47 O THR A 4 -17.041 -9.034 -15.713 1.00 0.00 O ATOM 48 CB THR A 4 -16.530 -11.121 -13.789 1.00 0.00 C ATOM 49 OG1 THR A 4 -15.123 -11.190 -13.968 1.00 0.00 O ATOM 50 CG2 THR A 4 -17.227 -11.524 -15.090 1.00 0.00 C ATOM 0 H THR A 4 -18.964 -10.073 -13.897 1.00 0.00 H new ATOM 0 HA THR A 4 -16.352 -9.367 -12.553 1.00 0.00 H new ATOM 0 HB THR A 4 -16.825 -11.800 -12.989 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.675 -10.999 -13.117 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.938 -12.540 -15.358 1.00 0.00 H new ATOM 0 HG22 THR A 4 -18.307 -11.478 -14.953 1.00 0.00 H new ATOM 0 HG23 THR A 4 -16.933 -10.841 -15.887 1.00 0.00 H new ATOM 58 N VAL A 5 -16.161 -7.562 -14.337 1.00 0.00 N ATOM 59 CA VAL A 5 -15.966 -6.595 -15.457 1.00 0.00 C ATOM 60 C VAL A 5 -14.888 -5.574 -15.096 1.00 0.00 C ATOM 61 O VAL A 5 -14.156 -5.736 -14.140 1.00 0.00 O ATOM 62 CB VAL A 5 -17.280 -5.858 -15.729 1.00 0.00 C ATOM 63 CG1 VAL A 5 -18.398 -6.872 -15.975 1.00 0.00 C ATOM 64 CG2 VAL A 5 -17.639 -4.989 -14.522 1.00 0.00 C ATOM 0 H VAL A 5 -15.852 -7.241 -13.420 1.00 0.00 H new ATOM 0 HA VAL A 5 -15.655 -7.146 -16.345 1.00 0.00 H new ATOM 0 HB VAL A 5 -17.163 -5.227 -16.610 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -19.332 -6.344 -16.168 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -18.146 -7.490 -16.837 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -18.515 -7.506 -15.096 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -18.575 -4.465 -14.717 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -17.753 -5.620 -13.641 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -16.845 -4.262 -14.348 1.00 0.00 H new ATOM 74 N THR A 6 -14.786 -4.523 -15.864 1.00 0.00 N ATOM 75 CA THR A 6 -13.759 -3.487 -15.582 1.00 0.00 C ATOM 76 C THR A 6 -14.400 -2.328 -14.821 1.00 0.00 C ATOM 77 O THR A 6 -15.583 -2.074 -14.930 1.00 0.00 O ATOM 78 CB THR A 6 -13.182 -2.970 -16.902 1.00 0.00 C ATOM 79 OG1 THR A 6 -13.449 -3.909 -17.934 1.00 0.00 O ATOM 80 CG2 THR A 6 -11.671 -2.780 -16.760 1.00 0.00 C ATOM 0 H THR A 6 -15.374 -4.339 -16.677 1.00 0.00 H new ATOM 0 HA THR A 6 -12.961 -3.921 -14.980 1.00 0.00 H new ATOM 0 HB THR A 6 -13.644 -2.015 -17.152 1.00 0.00 H new ATOM 0 HG1 THR A 6 -13.082 -3.578 -18.780 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.261 -2.412 -17.700 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.468 -2.059 -15.968 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.206 -3.734 -16.510 1.00 0.00 H new ATOM 88 N LEU A 7 -13.622 -1.623 -14.053 1.00 0.00 N ATOM 89 CA LEU A 7 -14.167 -0.476 -13.281 1.00 0.00 C ATOM 90 C LEU A 7 -13.223 0.717 -13.436 1.00 0.00 C ATOM 91 O LEU A 7 -12.018 0.573 -13.399 1.00 0.00 O ATOM 92 CB LEU A 7 -14.278 -0.858 -11.799 1.00 0.00 C ATOM 93 CG LEU A 7 -15.521 -1.723 -11.584 1.00 0.00 C ATOM 94 CD1 LEU A 7 -15.109 -3.193 -11.493 1.00 0.00 C ATOM 95 CD2 LEU A 7 -16.213 -1.306 -10.284 1.00 0.00 C ATOM 0 H LEU A 7 -12.624 -1.793 -13.926 1.00 0.00 H new ATOM 0 HA LEU A 7 -15.157 -0.215 -13.656 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.386 -1.401 -11.485 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -14.337 0.041 -11.185 1.00 0.00 H new ATOM 0 HG LEU A 7 -16.207 -1.589 -12.420 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -15.994 -3.810 -11.340 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -14.615 -3.490 -12.418 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -14.424 -3.328 -10.656 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -17.099 -1.922 -10.130 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -15.527 -1.441 -9.447 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -16.506 -0.258 -10.348 1.00 0.00 H new ATOM 107 N ALA A 8 -13.755 1.894 -13.614 1.00 0.00 N ATOM 108 CA ALA A 8 -12.876 3.085 -13.772 1.00 0.00 C ATOM 109 C ALA A 8 -12.494 3.612 -12.389 1.00 0.00 C ATOM 110 O ALA A 8 -13.295 3.620 -11.476 1.00 0.00 O ATOM 111 CB ALA A 8 -13.620 4.173 -14.548 1.00 0.00 C ATOM 0 H ALA A 8 -14.757 2.082 -13.657 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.976 2.806 -14.320 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.975 5.044 -14.663 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.896 3.794 -15.532 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.520 4.457 -14.003 1.00 0.00 H new ATOM 117 N VAL A 9 -11.275 4.045 -12.222 1.00 0.00 N ATOM 118 CA VAL A 9 -10.853 4.558 -10.891 1.00 0.00 C ATOM 119 C VAL A 9 -10.520 6.049 -10.983 1.00 0.00 C ATOM 120 O VAL A 9 -9.604 6.440 -11.679 1.00 0.00 O ATOM 121 CB VAL A 9 -9.616 3.799 -10.413 1.00 0.00 C ATOM 122 CG1 VAL A 9 -9.410 4.075 -8.925 1.00 0.00 C ATOM 123 CG2 VAL A 9 -9.815 2.298 -10.628 1.00 0.00 C ATOM 0 H VAL A 9 -10.557 4.065 -12.946 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.671 4.412 -10.185 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.744 4.129 -10.977 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.529 3.538 -8.574 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.268 5.145 -8.770 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.285 3.740 -8.368 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.930 1.761 -10.286 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.685 1.962 -10.064 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.972 2.100 -11.688 1.00 0.00 H new ATOM 133 N PRO A 10 -11.272 6.833 -10.258 1.00 0.00 N ATOM 134 CA PRO A 10 -11.010 8.286 -10.268 1.00 0.00 C ATOM 135 C PRO A 10 -9.608 8.563 -9.717 1.00 0.00 C ATOM 136 O PRO A 10 -8.780 7.677 -9.636 1.00 0.00 O ATOM 137 CB PRO A 10 -12.087 8.903 -9.364 1.00 0.00 C ATOM 138 CG PRO A 10 -13.054 7.775 -8.955 1.00 0.00 C ATOM 139 CD PRO A 10 -12.500 6.465 -9.525 1.00 0.00 C ATOM 0 HA PRO A 10 -11.048 8.708 -11.272 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.633 9.357 -8.483 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.622 9.694 -9.890 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -13.137 7.716 -7.870 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -14.055 7.969 -9.342 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.282 5.753 -8.729 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.223 5.990 -10.188 1.00 0.00 H new ATOM 147 N GLY A 11 -9.328 9.782 -9.348 1.00 0.00 N ATOM 148 CA GLY A 11 -7.972 10.101 -8.817 1.00 0.00 C ATOM 149 C GLY A 11 -6.986 10.155 -9.986 1.00 0.00 C ATOM 150 O GLY A 11 -6.357 11.163 -10.235 1.00 0.00 O ATOM 0 H GLY A 11 -9.976 10.569 -9.391 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.987 11.056 -8.291 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.661 9.345 -8.096 1.00 0.00 H new ATOM 154 N MET A 12 -6.874 9.074 -10.712 1.00 0.00 N ATOM 155 CA MET A 12 -5.958 9.019 -11.891 1.00 0.00 C ATOM 156 C MET A 12 -4.685 9.829 -11.637 1.00 0.00 C ATOM 157 O MET A 12 -3.694 9.322 -11.152 1.00 0.00 O ATOM 158 CB MET A 12 -6.689 9.582 -13.114 1.00 0.00 C ATOM 159 CG MET A 12 -7.877 8.683 -13.460 1.00 0.00 C ATOM 160 SD MET A 12 -9.386 9.681 -13.528 1.00 0.00 S ATOM 161 CE MET A 12 -10.493 8.378 -14.121 1.00 0.00 C ATOM 0 H MET A 12 -7.388 8.211 -10.535 1.00 0.00 H new ATOM 0 HA MET A 12 -5.671 7.982 -12.065 1.00 0.00 H new ATOM 0 HB2 MET A 12 -7.034 10.595 -12.909 1.00 0.00 H new ATOM 0 HB3 MET A 12 -6.007 9.643 -13.962 1.00 0.00 H new ATOM 0 HG2 MET A 12 -7.709 8.192 -14.419 1.00 0.00 H new ATOM 0 HG3 MET A 12 -7.982 7.896 -12.713 1.00 0.00 H new ATOM 0 HE1 MET A 12 -10.725 8.548 -15.172 1.00 0.00 H new ATOM 0 HE2 MET A 12 -10.007 7.409 -14.009 1.00 0.00 H new ATOM 0 HE3 MET A 12 -11.415 8.391 -13.540 1.00 0.00 H new ATOM 171 N THR A 13 -4.707 11.078 -11.987 1.00 0.00 N ATOM 172 CA THR A 13 -3.505 11.944 -11.805 1.00 0.00 C ATOM 173 C THR A 13 -3.265 12.230 -10.321 1.00 0.00 C ATOM 174 O THR A 13 -2.145 12.441 -9.900 1.00 0.00 O ATOM 175 CB THR A 13 -3.717 13.267 -12.543 1.00 0.00 C ATOM 176 OG1 THR A 13 -2.607 14.122 -12.308 1.00 0.00 O ATOM 177 CG2 THR A 13 -4.997 13.936 -12.038 1.00 0.00 C ATOM 0 H THR A 13 -5.514 11.547 -12.397 1.00 0.00 H new ATOM 0 HA THR A 13 -2.636 11.424 -12.208 1.00 0.00 H new ATOM 0 HB THR A 13 -3.808 13.077 -13.612 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.741 14.969 -12.782 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.147 14.879 -12.565 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.847 13.279 -12.221 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.910 14.128 -10.969 1.00 0.00 H new ATOM 185 N CYS A 14 -4.300 12.251 -9.526 1.00 0.00 N ATOM 186 CA CYS A 14 -4.116 12.536 -8.073 1.00 0.00 C ATOM 187 C CYS A 14 -2.890 11.779 -7.554 1.00 0.00 C ATOM 188 O CYS A 14 -2.395 10.872 -8.192 1.00 0.00 O ATOM 189 CB CYS A 14 -5.360 12.093 -7.301 1.00 0.00 C ATOM 190 SG CYS A 14 -5.443 10.285 -7.265 1.00 0.00 S ATOM 0 H CYS A 14 -5.263 12.084 -9.818 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.967 13.606 -7.930 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.328 12.486 -6.285 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.256 12.499 -7.772 1.00 0.00 H new ATOM 196 N ALA A 15 -2.396 12.148 -6.402 1.00 0.00 N ATOM 197 CA ALA A 15 -1.201 11.453 -5.842 1.00 0.00 C ATOM 198 C ALA A 15 -1.340 9.945 -6.054 1.00 0.00 C ATOM 199 O ALA A 15 -0.868 9.400 -7.031 1.00 0.00 O ATOM 200 CB ALA A 15 -1.096 11.749 -4.346 1.00 0.00 C ATOM 0 H ALA A 15 -2.769 12.901 -5.824 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.304 11.809 -6.348 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.223 11.242 -3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.996 12.824 -4.194 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.994 11.393 -3.841 1.00 0.00 H new ATOM 206 N ALA A 16 -1.987 9.268 -5.147 1.00 0.00 N ATOM 207 CA ALA A 16 -2.163 7.796 -5.294 1.00 0.00 C ATOM 208 C ALA A 16 -3.534 7.403 -4.743 1.00 0.00 C ATOM 209 O ALA A 16 -3.645 6.834 -3.675 1.00 0.00 O ATOM 210 CB ALA A 16 -1.069 7.069 -4.509 1.00 0.00 C ATOM 0 H ALA A 16 -2.403 9.672 -4.308 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.094 7.519 -6.346 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.198 5.992 -4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.091 7.358 -4.895 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.137 7.339 -3.455 1.00 0.00 H new ATOM 216 N CYS A 17 -4.581 7.716 -5.455 1.00 0.00 N ATOM 217 CA CYS A 17 -5.943 7.374 -4.960 1.00 0.00 C ATOM 218 C CYS A 17 -6.339 5.966 -5.418 1.00 0.00 C ATOM 219 O CYS A 17 -6.759 5.154 -4.618 1.00 0.00 O ATOM 220 CB CYS A 17 -6.955 8.393 -5.494 1.00 0.00 C ATOM 221 SG CYS A 17 -6.277 10.062 -5.324 1.00 0.00 S ATOM 0 H CYS A 17 -4.552 8.193 -6.356 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.938 7.401 -3.870 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.179 8.185 -6.540 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.893 8.312 -4.945 1.00 0.00 H new ATOM 227 N PRO A 18 -6.206 5.723 -6.695 1.00 0.00 N ATOM 228 CA PRO A 18 -6.586 4.385 -7.204 1.00 0.00 C ATOM 229 C PRO A 18 -5.782 3.299 -6.494 1.00 0.00 C ATOM 230 O PRO A 18 -6.188 2.156 -6.436 1.00 0.00 O ATOM 231 CB PRO A 18 -6.245 4.397 -8.698 1.00 0.00 C ATOM 232 CG PRO A 18 -5.578 5.753 -9.013 1.00 0.00 C ATOM 233 CD PRO A 18 -5.515 6.553 -7.707 1.00 0.00 C ATOM 0 HA PRO A 18 -7.641 4.175 -7.030 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.574 3.574 -8.944 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.146 4.265 -9.298 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.577 5.603 -9.418 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.149 6.295 -9.767 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.483 6.747 -7.416 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.002 7.522 -7.817 1.00 0.00 H new ATOM 241 N ILE A 19 -4.645 3.638 -5.959 1.00 0.00 N ATOM 242 CA ILE A 19 -3.833 2.606 -5.265 1.00 0.00 C ATOM 243 C ILE A 19 -4.724 1.839 -4.289 1.00 0.00 C ATOM 244 O ILE A 19 -4.696 0.627 -4.229 1.00 0.00 O ATOM 245 CB ILE A 19 -2.689 3.271 -4.492 1.00 0.00 C ATOM 246 CG1 ILE A 19 -1.632 3.781 -5.473 1.00 0.00 C ATOM 247 CG2 ILE A 19 -2.052 2.251 -3.544 1.00 0.00 C ATOM 248 CD1 ILE A 19 -0.363 4.165 -4.709 1.00 0.00 C ATOM 0 H ILE A 19 -4.246 4.577 -5.972 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.414 1.922 -6.003 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.083 4.109 -3.917 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.405 3.011 -6.211 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.014 4.643 -6.019 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.238 2.724 -2.994 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.803 1.889 -2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.661 1.413 -4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.388 4.528 -5.410 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.595 4.949 -3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.023 3.292 -4.183 1.00 0.00 H new ATOM 260 N THR A 20 -5.514 2.537 -3.521 1.00 0.00 N ATOM 261 CA THR A 20 -6.401 1.844 -2.549 1.00 0.00 C ATOM 262 C THR A 20 -7.645 1.328 -3.264 1.00 0.00 C ATOM 263 O THR A 20 -8.160 0.275 -2.944 1.00 0.00 O ATOM 264 CB THR A 20 -6.806 2.807 -1.440 1.00 0.00 C ATOM 265 OG1 THR A 20 -5.770 3.757 -1.234 1.00 0.00 O ATOM 266 CG2 THR A 20 -7.052 2.026 -0.148 1.00 0.00 C ATOM 0 H THR A 20 -5.583 3.555 -3.525 1.00 0.00 H new ATOM 0 HA THR A 20 -5.863 1.003 -2.112 1.00 0.00 H new ATOM 0 HB THR A 20 -7.720 3.326 -1.727 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.161 4.614 -0.965 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.342 2.716 0.645 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.850 1.301 -0.308 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.140 1.504 0.141 1.00 0.00 H new ATOM 274 N VAL A 21 -8.133 2.048 -4.233 1.00 0.00 N ATOM 275 CA VAL A 21 -9.338 1.569 -4.955 1.00 0.00 C ATOM 276 C VAL A 21 -9.130 0.104 -5.346 1.00 0.00 C ATOM 277 O VAL A 21 -9.993 -0.725 -5.139 1.00 0.00 O ATOM 278 CB VAL A 21 -9.565 2.410 -6.204 1.00 0.00 C ATOM 279 CG1 VAL A 21 -10.770 1.849 -6.964 1.00 0.00 C ATOM 280 CG2 VAL A 21 -9.842 3.854 -5.777 1.00 0.00 C ATOM 0 H VAL A 21 -7.753 2.939 -4.553 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.212 1.659 -4.310 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.687 2.384 -6.850 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.943 2.443 -7.861 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.573 0.815 -7.246 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.653 1.889 -6.326 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.007 4.470 -6.661 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.729 3.883 -5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.987 4.239 -5.221 1.00 0.00 H new ATOM 290 N LYS A 22 -7.989 -0.237 -5.905 1.00 0.00 N ATOM 291 CA LYS A 22 -7.764 -1.662 -6.285 1.00 0.00 C ATOM 292 C LYS A 22 -8.112 -2.571 -5.100 1.00 0.00 C ATOM 293 O LYS A 22 -9.107 -3.292 -5.105 1.00 0.00 O ATOM 294 CB LYS A 22 -6.286 -1.856 -6.652 1.00 0.00 C ATOM 295 CG LYS A 22 -5.971 -3.350 -6.782 1.00 0.00 C ATOM 296 CD LYS A 22 -4.767 -3.696 -5.904 1.00 0.00 C ATOM 297 CE LYS A 22 -3.634 -4.237 -6.778 1.00 0.00 C ATOM 298 NZ LYS A 22 -4.075 -5.498 -7.438 1.00 0.00 N ATOM 0 H LYS A 22 -7.220 0.401 -6.110 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.396 -1.917 -7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.066 -1.346 -7.590 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.651 -1.407 -5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.835 -3.942 -6.482 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.760 -3.599 -7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.432 -2.811 -5.363 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.050 -4.438 -5.157 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.356 -3.498 -7.530 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.748 -4.422 -6.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.246 -6.093 -7.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.725 -6.011 -6.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.563 -5.272 -8.328 1.00 0.00 H new ATOM 312 N LYS A 23 -7.294 -2.543 -4.087 1.00 0.00 N ATOM 313 CA LYS A 23 -7.549 -3.394 -2.895 1.00 0.00 C ATOM 314 C LYS A 23 -8.930 -3.065 -2.336 1.00 0.00 C ATOM 315 O LYS A 23 -9.672 -3.937 -1.935 1.00 0.00 O ATOM 316 CB LYS A 23 -6.489 -3.111 -1.828 1.00 0.00 C ATOM 317 CG LYS A 23 -6.648 -1.677 -1.319 1.00 0.00 C ATOM 318 CD LYS A 23 -5.510 -1.349 -0.350 1.00 0.00 C ATOM 319 CE LYS A 23 -5.861 -1.868 1.045 1.00 0.00 C ATOM 320 NZ LYS A 23 -5.286 -3.231 1.228 1.00 0.00 N ATOM 0 H LYS A 23 -6.456 -1.964 -4.034 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.505 -4.446 -3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.592 -3.815 -1.002 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.492 -3.252 -2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.639 -0.980 -2.157 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.610 -1.562 -0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.582 -1.804 -0.696 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.345 -0.272 -0.318 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.470 -1.192 1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.943 -1.898 1.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.031 -3.882 1.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.898 -3.568 0.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.528 -3.195 1.939 1.00 0.00 H new ATOM 334 N ALA A 24 -9.278 -1.808 -2.313 1.00 0.00 N ATOM 335 CA ALA A 24 -10.611 -1.412 -1.784 1.00 0.00 C ATOM 336 C ALA A 24 -11.703 -2.164 -2.545 1.00 0.00 C ATOM 337 O ALA A 24 -12.703 -2.558 -1.982 1.00 0.00 O ATOM 338 CB ALA A 24 -10.800 0.095 -1.961 1.00 0.00 C ATOM 0 H ALA A 24 -8.695 -1.037 -2.639 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.674 -1.661 -0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.776 0.387 -1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.020 0.626 -1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.739 0.347 -3.020 1.00 0.00 H new ATOM 344 N LEU A 25 -11.519 -2.378 -3.820 1.00 0.00 N ATOM 345 CA LEU A 25 -12.549 -3.117 -4.602 1.00 0.00 C ATOM 346 C LEU A 25 -12.647 -4.538 -4.053 1.00 0.00 C ATOM 347 O LEU A 25 -13.604 -4.901 -3.398 1.00 0.00 O ATOM 348 CB LEU A 25 -12.138 -3.167 -6.077 1.00 0.00 C ATOM 349 CG LEU A 25 -12.281 -1.777 -6.701 1.00 0.00 C ATOM 350 CD1 LEU A 25 -11.455 -1.706 -7.989 1.00 0.00 C ATOM 351 CD2 LEU A 25 -13.752 -1.514 -7.026 1.00 0.00 C ATOM 0 H LEU A 25 -10.703 -2.074 -4.351 1.00 0.00 H new ATOM 0 HA LEU A 25 -13.512 -2.614 -4.518 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.108 -3.511 -6.166 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -12.761 -3.883 -6.614 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.922 -1.025 -5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.557 -0.716 -8.433 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.406 -1.894 -7.759 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.813 -2.458 -8.693 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.855 -0.524 -7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.109 -2.266 -7.729 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.341 -1.564 -6.110 1.00 0.00 H new ATOM 363 N SER A 26 -11.653 -5.340 -4.308 1.00 0.00 N ATOM 364 CA SER A 26 -11.662 -6.738 -3.800 1.00 0.00 C ATOM 365 C SER A 26 -11.815 -6.736 -2.277 1.00 0.00 C ATOM 366 O SER A 26 -12.089 -7.752 -1.671 1.00 0.00 O ATOM 367 CB SER A 26 -10.347 -7.424 -4.193 1.00 0.00 C ATOM 368 OG SER A 26 -9.627 -7.790 -3.022 1.00 0.00 O ATOM 0 H SER A 26 -10.828 -5.085 -4.851 1.00 0.00 H new ATOM 0 HA SER A 26 -12.500 -7.281 -4.237 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.553 -8.308 -4.796 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.745 -6.753 -4.807 1.00 0.00 H new ATOM 0 HG SER A 26 -8.789 -8.229 -3.277 1.00 0.00 H new ATOM 374 N LYS A 27 -11.635 -5.612 -1.646 1.00 0.00 N ATOM 375 CA LYS A 27 -11.765 -5.576 -0.173 1.00 0.00 C ATOM 376 C LYS A 27 -13.250 -5.570 0.216 1.00 0.00 C ATOM 377 O LYS A 27 -13.615 -5.958 1.308 1.00 0.00 O ATOM 378 CB LYS A 27 -11.050 -4.318 0.354 1.00 0.00 C ATOM 379 CG LYS A 27 -11.768 -3.754 1.581 1.00 0.00 C ATOM 380 CD LYS A 27 -10.746 -3.117 2.524 1.00 0.00 C ATOM 381 CE LYS A 27 -11.469 -2.227 3.536 1.00 0.00 C ATOM 382 NZ LYS A 27 -11.565 -0.841 2.999 1.00 0.00 N ATOM 0 H LYS A 27 -11.404 -4.722 -2.088 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.305 -6.459 0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.019 -4.562 0.611 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.012 -3.561 -0.430 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.507 -3.013 1.274 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.308 -4.548 2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.182 -3.892 3.043 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.028 -2.528 1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.466 -2.621 3.736 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.931 -2.225 4.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.057 -0.235 3.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.609 -0.467 2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.096 -0.851 2.105 1.00 0.00 H new ATOM 396 N VAL A 28 -14.109 -5.130 -0.661 1.00 0.00 N ATOM 397 CA VAL A 28 -15.557 -5.100 -0.324 1.00 0.00 C ATOM 398 C VAL A 28 -16.151 -6.504 -0.462 1.00 0.00 C ATOM 399 O VAL A 28 -15.440 -7.490 -0.497 1.00 0.00 O ATOM 400 CB VAL A 28 -16.277 -4.129 -1.252 1.00 0.00 C ATOM 401 CG1 VAL A 28 -17.492 -3.535 -0.533 1.00 0.00 C ATOM 402 CG2 VAL A 28 -15.326 -2.997 -1.651 1.00 0.00 C ATOM 0 H VAL A 28 -13.871 -4.791 -1.593 1.00 0.00 H new ATOM 0 HA VAL A 28 -15.683 -4.766 0.706 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.604 -4.663 -2.144 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -18.005 -2.841 -1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -18.174 -4.336 -0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -17.163 -3.004 0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -15.843 -2.304 -2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.997 -2.466 -0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -14.460 -3.414 -2.165 1.00 0.00 H new ATOM 412 N GLU A 29 -17.448 -6.603 -0.511 1.00 0.00 N ATOM 413 CA GLU A 29 -18.101 -7.939 -0.614 1.00 0.00 C ATOM 414 C GLU A 29 -18.232 -8.373 -2.078 1.00 0.00 C ATOM 415 O GLU A 29 -18.263 -7.563 -2.982 1.00 0.00 O ATOM 416 CB GLU A 29 -19.487 -7.850 0.019 1.00 0.00 C ATOM 417 CG GLU A 29 -19.371 -8.030 1.535 1.00 0.00 C ATOM 418 CD GLU A 29 -18.222 -7.172 2.070 1.00 0.00 C ATOM 419 OE1 GLU A 29 -17.086 -7.605 1.964 1.00 0.00 O ATOM 420 OE2 GLU A 29 -18.497 -6.096 2.576 1.00 0.00 O ATOM 0 H GLU A 29 -18.090 -5.811 -0.484 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.490 -8.678 -0.095 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -19.941 -6.886 -0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -20.139 -8.617 -0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -20.306 -7.745 2.017 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -19.196 -9.079 1.774 1.00 0.00 H new ATOM 427 N GLY A 30 -18.305 -9.660 -2.305 1.00 0.00 N ATOM 428 CA GLY A 30 -18.431 -10.190 -3.697 1.00 0.00 C ATOM 429 C GLY A 30 -17.067 -10.157 -4.389 1.00 0.00 C ATOM 430 O GLY A 30 -16.902 -10.672 -5.477 1.00 0.00 O ATOM 0 H GLY A 30 -18.282 -10.374 -1.577 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -18.813 -11.211 -3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -19.149 -9.593 -4.260 1.00 0.00 H new ATOM 434 N VAL A 31 -16.085 -9.565 -3.765 1.00 0.00 N ATOM 435 CA VAL A 31 -14.732 -9.508 -4.384 1.00 0.00 C ATOM 436 C VAL A 31 -14.390 -10.883 -4.975 1.00 0.00 C ATOM 437 O VAL A 31 -14.055 -11.806 -4.260 1.00 0.00 O ATOM 438 CB VAL A 31 -13.704 -9.153 -3.303 1.00 0.00 C ATOM 439 CG1 VAL A 31 -14.045 -9.903 -2.013 1.00 0.00 C ATOM 440 CG2 VAL A 31 -12.301 -9.557 -3.773 1.00 0.00 C ATOM 0 H VAL A 31 -16.163 -9.118 -2.852 1.00 0.00 H new ATOM 0 HA VAL A 31 -14.715 -8.755 -5.172 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.727 -8.079 -3.119 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -13.316 -9.652 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -15.041 -9.615 -1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -14.021 -10.977 -2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.572 -9.304 -3.003 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.275 -10.631 -3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.058 -9.024 -4.692 1.00 0.00 H new ATOM 450 N SER A 32 -14.454 -11.024 -6.267 1.00 0.00 N ATOM 451 CA SER A 32 -14.114 -12.335 -6.891 1.00 0.00 C ATOM 452 C SER A 32 -12.797 -12.185 -7.651 1.00 0.00 C ATOM 453 O SER A 32 -11.920 -13.023 -7.577 1.00 0.00 O ATOM 454 CB SER A 32 -15.220 -12.751 -7.862 1.00 0.00 C ATOM 455 OG SER A 32 -16.467 -12.260 -7.390 1.00 0.00 O ATOM 0 H SER A 32 -14.727 -10.290 -6.920 1.00 0.00 H new ATOM 0 HA SER A 32 -14.017 -13.098 -6.119 1.00 0.00 H new ATOM 0 HB2 SER A 32 -15.014 -12.357 -8.857 1.00 0.00 H new ATOM 0 HB3 SER A 32 -15.253 -13.837 -7.950 1.00 0.00 H new ATOM 0 HG SER A 32 -16.370 -11.321 -7.127 1.00 0.00 H new ATOM 461 N LYS A 33 -12.651 -11.106 -8.367 1.00 0.00 N ATOM 462 CA LYS A 33 -11.394 -10.865 -9.124 1.00 0.00 C ATOM 463 C LYS A 33 -10.873 -9.480 -8.747 1.00 0.00 C ATOM 464 O LYS A 33 -11.640 -8.591 -8.437 1.00 0.00 O ATOM 465 CB LYS A 33 -11.677 -10.922 -10.627 1.00 0.00 C ATOM 466 CG LYS A 33 -10.357 -11.003 -11.395 1.00 0.00 C ATOM 467 CD LYS A 33 -10.620 -11.540 -12.803 1.00 0.00 C ATOM 468 CE LYS A 33 -9.521 -11.055 -13.751 1.00 0.00 C ATOM 469 NZ LYS A 33 -10.073 -10.012 -14.661 1.00 0.00 N ATOM 0 H LYS A 33 -13.356 -10.375 -8.460 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.653 -11.626 -8.881 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.297 -11.788 -10.858 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.235 -10.038 -10.936 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.895 -10.017 -11.450 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.658 -11.654 -10.870 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.647 -12.630 -12.788 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.594 -11.202 -13.156 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.686 -10.649 -13.180 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.133 -11.891 -14.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.326 -9.683 -15.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.856 -10.414 -15.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.423 -9.210 -14.098 1.00 0.00 H new ATOM 483 N VAL A 34 -9.586 -9.284 -8.744 1.00 0.00 N ATOM 484 CA VAL A 34 -9.062 -7.948 -8.353 1.00 0.00 C ATOM 485 C VAL A 34 -7.878 -7.540 -9.230 1.00 0.00 C ATOM 486 O VAL A 34 -6.732 -7.767 -8.896 1.00 0.00 O ATOM 487 CB VAL A 34 -8.611 -8.003 -6.899 1.00 0.00 C ATOM 488 CG1 VAL A 34 -7.655 -9.180 -6.724 1.00 0.00 C ATOM 489 CG2 VAL A 34 -7.898 -6.700 -6.532 1.00 0.00 C ATOM 0 H VAL A 34 -8.883 -9.980 -8.992 1.00 0.00 H new ATOM 0 HA VAL A 34 -9.855 -7.211 -8.483 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.476 -8.130 -6.248 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.325 -9.230 -5.686 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.166 -10.106 -6.987 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.790 -9.046 -7.374 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.576 -6.742 -5.491 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.028 -6.567 -7.176 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.581 -5.861 -6.667 1.00 0.00 H new ATOM 499 N ASP A 35 -8.151 -6.894 -10.324 1.00 0.00 N ATOM 500 CA ASP A 35 -7.061 -6.408 -11.211 1.00 0.00 C ATOM 501 C ASP A 35 -7.220 -4.892 -11.310 1.00 0.00 C ATOM 502 O ASP A 35 -7.914 -4.386 -12.167 1.00 0.00 O ATOM 503 CB ASP A 35 -7.195 -7.040 -12.599 1.00 0.00 C ATOM 504 CG ASP A 35 -6.090 -8.080 -12.798 1.00 0.00 C ATOM 505 OD1 ASP A 35 -6.310 -9.226 -12.442 1.00 0.00 O ATOM 506 OD2 ASP A 35 -5.043 -7.712 -13.304 1.00 0.00 O ATOM 0 H ASP A 35 -9.094 -6.679 -10.647 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.082 -6.676 -10.814 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.173 -7.509 -12.703 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.127 -6.271 -13.368 1.00 0.00 H new ATOM 511 N VAL A 36 -6.619 -4.169 -10.407 1.00 0.00 N ATOM 512 CA VAL A 36 -6.774 -2.688 -10.406 1.00 0.00 C ATOM 513 C VAL A 36 -5.462 -2.028 -9.997 1.00 0.00 C ATOM 514 O VAL A 36 -4.640 -2.627 -9.331 1.00 0.00 O ATOM 515 CB VAL A 36 -7.829 -2.332 -9.363 1.00 0.00 C ATOM 516 CG1 VAL A 36 -8.001 -0.812 -9.281 1.00 0.00 C ATOM 517 CG2 VAL A 36 -9.157 -2.996 -9.719 1.00 0.00 C ATOM 0 H VAL A 36 -6.025 -4.542 -9.667 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.060 -2.345 -11.400 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.501 -2.697 -8.390 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.757 -0.571 -8.533 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -7.053 -0.353 -9.000 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.316 -0.429 -10.252 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -9.905 -2.737 -8.970 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.487 -2.647 -10.697 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.028 -4.078 -9.744 1.00 0.00 H new ATOM 527 N GLY A 37 -5.259 -0.791 -10.362 1.00 0.00 N ATOM 528 CA GLY A 37 -4.001 -0.120 -9.950 1.00 0.00 C ATOM 529 C GLY A 37 -4.080 1.389 -10.171 1.00 0.00 C ATOM 530 O GLY A 37 -4.878 1.888 -10.958 1.00 0.00 O ATOM 0 H GLY A 37 -5.901 -0.226 -10.919 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.804 -0.326 -8.898 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.165 -0.530 -10.517 1.00 0.00 H new ATOM 534 N PHE A 38 -3.238 2.109 -9.470 1.00 0.00 N ATOM 535 CA PHE A 38 -3.212 3.589 -9.591 1.00 0.00 C ATOM 536 C PHE A 38 -2.107 4.004 -10.568 1.00 0.00 C ATOM 537 O PHE A 38 -1.991 5.163 -10.916 1.00 0.00 O ATOM 538 CB PHE A 38 -2.974 4.204 -8.195 1.00 0.00 C ATOM 539 CG PHE A 38 -1.905 5.281 -8.242 1.00 0.00 C ATOM 540 CD1 PHE A 38 -2.216 6.561 -8.719 1.00 0.00 C ATOM 541 CD2 PHE A 38 -0.603 4.993 -7.813 1.00 0.00 C ATOM 542 CE1 PHE A 38 -1.227 7.550 -8.765 1.00 0.00 C ATOM 543 CE2 PHE A 38 0.386 5.982 -7.860 1.00 0.00 C ATOM 544 CZ PHE A 38 0.074 7.261 -8.336 1.00 0.00 C ATOM 0 H PHE A 38 -2.561 1.723 -8.812 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.164 3.952 -9.977 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.905 4.629 -7.819 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.675 3.422 -7.497 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.219 6.785 -9.051 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.362 4.006 -7.445 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.468 8.537 -9.132 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.390 5.759 -7.529 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.837 8.025 -8.372 1.00 0.00 H new ATOM 554 N GLU A 39 -1.302 3.076 -11.022 1.00 0.00 N ATOM 555 CA GLU A 39 -0.225 3.445 -11.987 1.00 0.00 C ATOM 556 C GLU A 39 -0.829 4.384 -13.028 1.00 0.00 C ATOM 557 O GLU A 39 -0.163 5.221 -13.603 1.00 0.00 O ATOM 558 CB GLU A 39 0.306 2.184 -12.673 1.00 0.00 C ATOM 559 CG GLU A 39 1.822 2.104 -12.490 1.00 0.00 C ATOM 560 CD GLU A 39 2.436 1.330 -13.658 1.00 0.00 C ATOM 561 OE1 GLU A 39 1.988 1.529 -14.775 1.00 0.00 O ATOM 562 OE2 GLU A 39 3.344 0.552 -13.415 1.00 0.00 O ATOM 0 H GLU A 39 -1.344 2.089 -10.769 1.00 0.00 H new ATOM 0 HA GLU A 39 0.600 3.933 -11.469 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.169 1.299 -12.250 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.058 2.202 -13.734 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.247 3.107 -12.441 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.060 1.611 -11.548 1.00 0.00 H new ATOM 569 N LYS A 40 -2.106 4.248 -13.247 1.00 0.00 N ATOM 570 CA LYS A 40 -2.811 5.116 -14.219 1.00 0.00 C ATOM 571 C LYS A 40 -4.197 5.428 -13.662 1.00 0.00 C ATOM 572 O LYS A 40 -4.443 6.484 -13.115 1.00 0.00 O ATOM 573 CB LYS A 40 -2.973 4.369 -15.536 1.00 0.00 C ATOM 574 CG LYS A 40 -1.709 4.531 -16.381 1.00 0.00 C ATOM 575 CD LYS A 40 -2.007 5.434 -17.580 1.00 0.00 C ATOM 576 CE LYS A 40 -0.696 5.818 -18.267 1.00 0.00 C ATOM 577 NZ LYS A 40 -0.291 7.185 -17.834 1.00 0.00 N ATOM 0 H LYS A 40 -2.698 3.559 -12.783 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.245 6.033 -14.383 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.161 3.312 -15.345 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.836 4.753 -16.079 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.909 4.961 -15.779 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.361 3.557 -16.724 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.661 4.919 -18.283 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.534 6.330 -17.252 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.083 5.099 -18.015 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.818 5.789 -19.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.601 7.447 -18.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.032 7.866 -18.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.158 7.197 -16.803 1.00 0.00 H new ATOM 591 N ARG A 41 -5.096 4.492 -13.797 1.00 0.00 N ATOM 592 CA ARG A 41 -6.484 4.670 -13.288 1.00 0.00 C ATOM 593 C ARG A 41 -7.347 3.556 -13.869 1.00 0.00 C ATOM 594 O ARG A 41 -8.262 3.805 -14.629 1.00 0.00 O ATOM 595 CB ARG A 41 -7.046 6.020 -13.739 1.00 0.00 C ATOM 596 CG ARG A 41 -7.014 6.108 -15.266 1.00 0.00 C ATOM 597 CD ARG A 41 -5.788 6.907 -15.707 1.00 0.00 C ATOM 598 NE ARG A 41 -6.207 7.982 -16.661 1.00 0.00 N ATOM 599 CZ ARG A 41 -6.980 7.718 -17.685 1.00 0.00 C ATOM 600 NH1 ARG A 41 -7.253 6.483 -18.015 1.00 0.00 N ATOM 601 NH2 ARG A 41 -7.435 8.696 -18.418 1.00 0.00 N ATOM 0 H ARG A 41 -4.922 3.594 -14.248 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.483 4.636 -12.199 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.068 6.137 -13.380 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.461 6.831 -13.306 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.983 5.108 -15.698 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.923 6.585 -15.632 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.297 7.348 -14.839 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.063 6.247 -16.183 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.884 8.938 -16.511 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.863 5.712 -17.473 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.856 6.290 -18.815 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.188 9.660 -18.193 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.037 8.497 -19.217 1.00 0.00 H new ATOM 615 N GLU A 42 -7.061 2.325 -13.541 1.00 0.00 N ATOM 616 CA GLU A 42 -7.879 1.218 -14.116 1.00 0.00 C ATOM 617 C GLU A 42 -8.269 0.236 -13.019 1.00 0.00 C ATOM 618 O GLU A 42 -7.431 -0.273 -12.302 1.00 0.00 O ATOM 619 CB GLU A 42 -7.065 0.490 -15.187 1.00 0.00 C ATOM 620 CG GLU A 42 -7.151 1.261 -16.506 1.00 0.00 C ATOM 621 CD GLU A 42 -7.396 0.282 -17.655 1.00 0.00 C ATOM 622 OE1 GLU A 42 -7.408 -0.911 -17.399 1.00 0.00 O ATOM 623 OE2 GLU A 42 -7.567 0.741 -18.772 1.00 0.00 O ATOM 0 H GLU A 42 -6.311 2.040 -12.911 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.783 1.633 -14.561 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.025 0.403 -14.872 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.444 -0.523 -15.321 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.957 1.993 -16.460 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.228 1.815 -16.677 1.00 0.00 H new ATOM 630 N ALA A 43 -9.538 -0.034 -12.874 1.00 0.00 N ATOM 631 CA ALA A 43 -9.964 -0.975 -11.818 1.00 0.00 C ATOM 632 C ALA A 43 -10.659 -2.191 -12.432 1.00 0.00 C ATOM 633 O ALA A 43 -11.860 -2.229 -12.558 1.00 0.00 O ATOM 634 CB ALA A 43 -10.938 -0.261 -10.884 1.00 0.00 C ATOM 0 H ALA A 43 -10.289 0.358 -13.442 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.086 -1.313 -11.267 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.259 -0.947 -10.100 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.445 0.600 -10.433 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.806 0.074 -11.451 1.00 0.00 H new ATOM 640 N VAL A 44 -9.921 -3.203 -12.777 1.00 0.00 N ATOM 641 CA VAL A 44 -10.560 -4.424 -13.341 1.00 0.00 C ATOM 642 C VAL A 44 -10.794 -5.395 -12.187 1.00 0.00 C ATOM 643 O VAL A 44 -9.884 -5.704 -11.451 1.00 0.00 O ATOM 644 CB VAL A 44 -9.634 -5.065 -14.375 1.00 0.00 C ATOM 645 CG1 VAL A 44 -10.380 -6.188 -15.099 1.00 0.00 C ATOM 646 CG2 VAL A 44 -9.192 -4.010 -15.391 1.00 0.00 C ATOM 0 H VAL A 44 -8.905 -3.241 -12.694 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.501 -4.173 -13.830 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.757 -5.474 -13.873 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.721 -6.646 -15.837 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.694 -6.941 -14.376 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.257 -5.778 -15.601 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.532 -4.468 -16.128 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.068 -3.600 -15.894 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.661 -3.209 -14.876 1.00 0.00 H new ATOM 656 N VAL A 45 -11.995 -5.869 -11.998 1.00 0.00 N ATOM 657 CA VAL A 45 -12.233 -6.798 -10.860 1.00 0.00 C ATOM 658 C VAL A 45 -13.492 -7.599 -11.110 1.00 0.00 C ATOM 659 O VAL A 45 -14.054 -7.589 -12.188 1.00 0.00 O ATOM 660 CB VAL A 45 -12.416 -6.000 -9.567 1.00 0.00 C ATOM 661 CG1 VAL A 45 -11.241 -5.046 -9.375 1.00 0.00 C ATOM 662 CG2 VAL A 45 -13.715 -5.196 -9.646 1.00 0.00 C ATOM 0 H VAL A 45 -12.810 -5.657 -12.573 1.00 0.00 H new ATOM 0 HA VAL A 45 -11.376 -7.465 -10.768 1.00 0.00 H new ATOM 0 HB VAL A 45 -12.460 -6.689 -8.724 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.378 -4.481 -8.453 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.314 -5.617 -9.317 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.190 -4.357 -10.218 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.847 -4.627 -8.726 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.668 -4.511 -10.493 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -14.557 -5.876 -9.776 1.00 0.00 H new ATOM 672 N THR A 46 -13.940 -8.293 -10.114 1.00 0.00 N ATOM 673 CA THR A 46 -15.164 -9.096 -10.275 1.00 0.00 C ATOM 674 C THR A 46 -15.876 -9.200 -8.942 1.00 0.00 C ATOM 675 O THR A 46 -15.595 -10.074 -8.150 1.00 0.00 O ATOM 676 CB THR A 46 -14.794 -10.496 -10.759 1.00 0.00 C ATOM 677 OG1 THR A 46 -14.184 -10.406 -12.036 1.00 0.00 O ATOM 678 CG2 THR A 46 -16.054 -11.357 -10.839 1.00 0.00 C ATOM 0 H THR A 46 -13.507 -8.337 -9.191 1.00 0.00 H new ATOM 0 HA THR A 46 -15.818 -8.618 -11.004 1.00 0.00 H new ATOM 0 HB THR A 46 -14.094 -10.954 -10.060 1.00 0.00 H new ATOM 0 HG1 THR A 46 -14.184 -9.472 -12.334 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.790 -12.357 -11.185 1.00 0.00 H new ATOM 0 HG22 THR A 46 -16.513 -11.423 -9.852 1.00 0.00 H new ATOM 0 HG23 THR A 46 -16.759 -10.906 -11.537 1.00 0.00 H new ATOM 686 N PHE A 47 -16.825 -8.350 -8.694 1.00 0.00 N ATOM 687 CA PHE A 47 -17.558 -8.464 -7.421 1.00 0.00 C ATOM 688 C PHE A 47 -18.780 -9.298 -7.722 1.00 0.00 C ATOM 689 O PHE A 47 -19.669 -8.896 -8.446 1.00 0.00 O ATOM 690 CB PHE A 47 -17.948 -7.093 -6.877 1.00 0.00 C ATOM 691 CG PHE A 47 -19.150 -6.562 -7.623 1.00 0.00 C ATOM 692 CD1 PHE A 47 -18.979 -5.877 -8.831 1.00 0.00 C ATOM 693 CD2 PHE A 47 -20.435 -6.772 -7.111 1.00 0.00 C ATOM 694 CE1 PHE A 47 -20.096 -5.398 -9.525 1.00 0.00 C ATOM 695 CE2 PHE A 47 -21.551 -6.295 -7.805 1.00 0.00 C ATOM 696 CZ PHE A 47 -21.382 -5.608 -9.012 1.00 0.00 C ATOM 0 H PHE A 47 -17.119 -7.593 -9.311 1.00 0.00 H new ATOM 0 HA PHE A 47 -16.940 -8.925 -6.651 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -18.173 -7.166 -5.813 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -17.112 -6.401 -6.979 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -17.987 -5.718 -9.227 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -20.565 -7.303 -6.179 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -19.966 -4.866 -10.456 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -22.543 -6.457 -7.410 1.00 0.00 H new ATOM 0 HZ PHE A 47 -22.244 -5.239 -9.548 1.00 0.00 H new ATOM 706 N ASP A 48 -18.809 -10.479 -7.228 1.00 0.00 N ATOM 707 CA ASP A 48 -19.957 -11.351 -7.551 1.00 0.00 C ATOM 708 C ASP A 48 -21.054 -11.196 -6.492 1.00 0.00 C ATOM 709 O ASP A 48 -21.665 -12.150 -6.053 1.00 0.00 O ATOM 710 CB ASP A 48 -19.454 -12.789 -7.692 1.00 0.00 C ATOM 711 CG ASP A 48 -19.547 -13.536 -6.358 1.00 0.00 C ATOM 712 OD1 ASP A 48 -18.608 -13.440 -5.585 1.00 0.00 O ATOM 713 OD2 ASP A 48 -20.551 -14.193 -6.137 1.00 0.00 O ATOM 0 H ASP A 48 -18.099 -10.885 -6.619 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.410 -11.063 -8.500 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -20.042 -13.311 -8.447 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -18.421 -12.784 -8.039 1.00 0.00 H new ATOM 718 N ASP A 49 -21.321 -9.969 -6.118 1.00 0.00 N ATOM 719 CA ASP A 49 -22.390 -9.666 -5.119 1.00 0.00 C ATOM 720 C ASP A 49 -22.491 -10.771 -4.070 1.00 0.00 C ATOM 721 O ASP A 49 -23.546 -11.022 -3.524 1.00 0.00 O ATOM 722 CB ASP A 49 -23.737 -9.518 -5.833 1.00 0.00 C ATOM 723 CG ASP A 49 -24.838 -9.218 -4.811 1.00 0.00 C ATOM 724 OD1 ASP A 49 -24.505 -8.919 -3.677 1.00 0.00 O ATOM 725 OD2 ASP A 49 -25.998 -9.295 -5.182 1.00 0.00 O ATOM 0 H ASP A 49 -20.831 -9.147 -6.472 1.00 0.00 H new ATOM 0 HA ASP A 49 -22.132 -8.734 -4.616 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -23.683 -8.715 -6.568 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -23.973 -10.433 -6.377 1.00 0.00 H new ATOM 730 N THR A 50 -21.412 -11.426 -3.758 1.00 0.00 N ATOM 731 CA THR A 50 -21.494 -12.483 -2.719 1.00 0.00 C ATOM 732 C THR A 50 -22.034 -11.843 -1.443 1.00 0.00 C ATOM 733 O THR A 50 -22.504 -12.514 -0.546 1.00 0.00 O ATOM 734 CB THR A 50 -20.107 -13.070 -2.450 1.00 0.00 C ATOM 735 OG1 THR A 50 -19.692 -13.836 -3.571 1.00 0.00 O ATOM 736 CG2 THR A 50 -20.162 -13.966 -1.212 1.00 0.00 C ATOM 0 H THR A 50 -20.491 -11.279 -4.170 1.00 0.00 H new ATOM 0 HA THR A 50 -22.148 -13.288 -3.055 1.00 0.00 H new ATOM 0 HB THR A 50 -19.397 -12.260 -2.280 1.00 0.00 H new ATOM 0 HG1 THR A 50 -19.020 -13.335 -4.079 1.00 0.00 H new ATOM 0 HG21 THR A 50 -19.174 -14.384 -1.021 1.00 0.00 H new ATOM 0 HG22 THR A 50 -20.480 -13.378 -0.351 1.00 0.00 H new ATOM 0 HG23 THR A 50 -20.872 -14.776 -1.380 1.00 0.00 H new ATOM 744 N LYS A 51 -21.957 -10.539 -1.352 1.00 0.00 N ATOM 745 CA LYS A 51 -22.451 -9.852 -0.129 1.00 0.00 C ATOM 746 C LYS A 51 -22.630 -8.342 -0.368 1.00 0.00 C ATOM 747 O LYS A 51 -22.762 -7.579 0.569 1.00 0.00 O ATOM 748 CB LYS A 51 -21.421 -10.051 0.969 1.00 0.00 C ATOM 749 CG LYS A 51 -21.796 -11.267 1.818 1.00 0.00 C ATOM 750 CD LYS A 51 -21.477 -10.981 3.287 1.00 0.00 C ATOM 751 CE LYS A 51 -22.699 -10.355 3.963 1.00 0.00 C ATOM 752 NZ LYS A 51 -22.644 -10.619 5.429 1.00 0.00 N ATOM 0 H LYS A 51 -21.574 -9.926 -2.071 1.00 0.00 H new ATOM 0 HA LYS A 51 -23.418 -10.272 0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.433 -10.192 0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -21.368 -9.161 1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -22.856 -11.492 1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -21.245 -12.144 1.479 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -21.200 -11.904 3.796 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -20.623 -10.308 3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.721 -9.281 3.776 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -23.614 -10.771 3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.474 -10.194 5.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -22.642 -11.645 5.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -21.777 -10.202 5.825 1.00 0.00 H new ATOM 766 N ALA A 52 -22.634 -7.893 -1.596 1.00 0.00 N ATOM 767 CA ALA A 52 -22.801 -6.430 -1.843 1.00 0.00 C ATOM 768 C ALA A 52 -22.921 -6.154 -3.347 1.00 0.00 C ATOM 769 O ALA A 52 -23.260 -7.024 -4.122 1.00 0.00 O ATOM 770 CB ALA A 52 -21.593 -5.684 -1.278 1.00 0.00 C ATOM 0 H ALA A 52 -22.530 -8.469 -2.431 1.00 0.00 H new ATOM 0 HA ALA A 52 -23.711 -6.086 -1.351 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -21.710 -4.615 -1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -21.521 -5.868 -0.206 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -20.686 -6.036 -1.769 1.00 0.00 H new ATOM 776 N SER A 53 -22.656 -4.943 -3.767 1.00 0.00 N ATOM 777 CA SER A 53 -22.768 -4.617 -5.219 1.00 0.00 C ATOM 778 C SER A 53 -21.822 -3.466 -5.573 1.00 0.00 C ATOM 779 O SER A 53 -21.194 -2.876 -4.716 1.00 0.00 O ATOM 780 CB SER A 53 -24.208 -4.208 -5.533 1.00 0.00 C ATOM 781 OG SER A 53 -24.203 -3.106 -6.431 1.00 0.00 O ATOM 0 H SER A 53 -22.368 -4.169 -3.169 1.00 0.00 H new ATOM 0 HA SER A 53 -22.496 -5.494 -5.807 1.00 0.00 H new ATOM 0 HB2 SER A 53 -24.748 -5.047 -5.973 1.00 0.00 H new ATOM 0 HB3 SER A 53 -24.730 -3.940 -4.614 1.00 0.00 H new ATOM 0 HG SER A 53 -25.126 -2.845 -6.634 1.00 0.00 H new ATOM 787 N VAL A 54 -21.715 -3.150 -6.836 1.00 0.00 N ATOM 788 CA VAL A 54 -20.808 -2.045 -7.264 1.00 0.00 C ATOM 789 C VAL A 54 -20.922 -0.865 -6.297 1.00 0.00 C ATOM 790 O VAL A 54 -19.969 -0.495 -5.642 1.00 0.00 O ATOM 791 CB VAL A 54 -21.198 -1.578 -8.670 1.00 0.00 C ATOM 792 CG1 VAL A 54 -20.480 -0.265 -8.992 1.00 0.00 C ATOM 793 CG2 VAL A 54 -20.793 -2.639 -9.693 1.00 0.00 C ATOM 0 H VAL A 54 -22.219 -3.612 -7.593 1.00 0.00 H new ATOM 0 HA VAL A 54 -19.782 -2.413 -7.265 1.00 0.00 H new ATOM 0 HB VAL A 54 -22.276 -1.424 -8.712 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -20.758 0.066 -9.993 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -20.768 0.495 -8.265 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -19.402 -0.420 -8.948 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -21.071 -2.305 -10.693 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -19.715 -2.794 -9.649 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -21.304 -3.575 -9.468 1.00 0.00 H new ATOM 803 N GLN A 55 -22.078 -0.264 -6.213 1.00 0.00 N ATOM 804 CA GLN A 55 -22.249 0.904 -5.302 1.00 0.00 C ATOM 805 C GLN A 55 -21.557 0.624 -3.969 1.00 0.00 C ATOM 806 O GLN A 55 -20.713 1.376 -3.531 1.00 0.00 O ATOM 807 CB GLN A 55 -23.740 1.152 -5.063 1.00 0.00 C ATOM 808 CG GLN A 55 -24.072 2.614 -5.370 1.00 0.00 C ATOM 809 CD GLN A 55 -25.015 3.159 -4.297 1.00 0.00 C ATOM 810 OE1 GLN A 55 -24.643 4.020 -3.525 1.00 0.00 O ATOM 811 NE2 GLN A 55 -26.231 2.691 -4.214 1.00 0.00 N ATOM 0 H GLN A 55 -22.912 -0.532 -6.736 1.00 0.00 H new ATOM 0 HA GLN A 55 -21.803 1.787 -5.760 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -24.335 0.493 -5.695 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -23.997 0.919 -4.030 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -23.158 3.207 -5.401 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -24.537 2.694 -6.353 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -26.545 1.968 -4.862 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -26.867 3.048 -3.502 1.00 0.00 H new ATOM 820 N LYS A 56 -21.902 -0.452 -3.321 1.00 0.00 N ATOM 821 CA LYS A 56 -21.251 -0.768 -2.021 1.00 0.00 C ATOM 822 C LYS A 56 -19.741 -0.884 -2.234 1.00 0.00 C ATOM 823 O LYS A 56 -18.959 -0.210 -1.592 1.00 0.00 O ATOM 824 CB LYS A 56 -21.794 -2.091 -1.488 1.00 0.00 C ATOM 825 CG LYS A 56 -23.320 -2.022 -1.408 1.00 0.00 C ATOM 826 CD LYS A 56 -23.772 -2.364 0.013 1.00 0.00 C ATOM 827 CE LYS A 56 -25.241 -2.792 -0.008 1.00 0.00 C ATOM 828 NZ LYS A 56 -25.820 -2.647 1.357 1.00 0.00 N ATOM 0 H LYS A 56 -22.603 -1.124 -3.633 1.00 0.00 H new ATOM 0 HA LYS A 56 -21.461 0.023 -1.302 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -21.490 -2.910 -2.140 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -21.377 -2.297 -0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -23.664 -1.024 -1.680 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -23.764 -2.718 -2.120 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -23.155 -3.165 0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -23.643 -1.500 0.665 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -25.799 -2.181 -0.718 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -25.325 -3.826 -0.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -26.818 -2.938 1.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -25.294 -3.248 2.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -25.753 -1.654 1.659 1.00 0.00 H new ATOM 842 N LEU A 57 -19.323 -1.731 -3.137 1.00 0.00 N ATOM 843 CA LEU A 57 -17.865 -1.883 -3.393 1.00 0.00 C ATOM 844 C LEU A 57 -17.250 -0.505 -3.635 1.00 0.00 C ATOM 845 O LEU A 57 -16.367 -0.074 -2.920 1.00 0.00 O ATOM 846 CB LEU A 57 -17.649 -2.759 -4.628 1.00 0.00 C ATOM 847 CG LEU A 57 -17.776 -4.232 -4.238 1.00 0.00 C ATOM 848 CD1 LEU A 57 -18.820 -4.901 -5.126 1.00 0.00 C ATOM 849 CD2 LEU A 57 -16.428 -4.930 -4.429 1.00 0.00 C ATOM 0 H LEU A 57 -19.929 -2.322 -3.706 1.00 0.00 H new ATOM 0 HA LEU A 57 -17.391 -2.351 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -18.382 -2.511 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -16.664 -2.568 -5.054 1.00 0.00 H new ATOM 0 HG LEU A 57 -18.079 -4.306 -3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -18.913 -5.951 -4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -19.782 -4.405 -4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -18.513 -4.825 -6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -16.519 -5.980 -4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -16.125 -4.856 -5.473 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -15.678 -4.452 -3.799 1.00 0.00 H new ATOM 861 N THR A 58 -17.715 0.193 -4.634 1.00 0.00 N ATOM 862 CA THR A 58 -17.159 1.546 -4.914 1.00 0.00 C ATOM 863 C THR A 58 -17.409 2.447 -3.706 1.00 0.00 C ATOM 864 O THR A 58 -16.596 3.280 -3.359 1.00 0.00 O ATOM 865 CB THR A 58 -17.845 2.144 -6.144 1.00 0.00 C ATOM 866 OG1 THR A 58 -19.133 1.567 -6.295 1.00 0.00 O ATOM 867 CG2 THR A 58 -17.006 1.858 -7.390 1.00 0.00 C ATOM 0 H THR A 58 -18.454 -0.114 -5.267 1.00 0.00 H new ATOM 0 HA THR A 58 -16.089 1.468 -5.104 1.00 0.00 H new ATOM 0 HB THR A 58 -17.943 3.222 -6.016 1.00 0.00 H new ATOM 0 HG1 THR A 58 -19.042 0.614 -6.505 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.497 2.285 -8.265 1.00 0.00 H new ATOM 0 HG22 THR A 58 -16.018 2.304 -7.274 1.00 0.00 H new ATOM 0 HG23 THR A 58 -16.904 0.781 -7.521 1.00 0.00 H new ATOM 875 N LYS A 59 -18.529 2.284 -3.058 1.00 0.00 N ATOM 876 CA LYS A 59 -18.824 3.128 -1.870 1.00 0.00 C ATOM 877 C LYS A 59 -17.707 2.940 -0.844 1.00 0.00 C ATOM 878 O LYS A 59 -17.154 3.892 -0.330 1.00 0.00 O ATOM 879 CB LYS A 59 -20.160 2.705 -1.256 1.00 0.00 C ATOM 880 CG LYS A 59 -21.292 3.524 -1.879 1.00 0.00 C ATOM 881 CD LYS A 59 -22.637 2.877 -1.541 1.00 0.00 C ATOM 882 CE LYS A 59 -23.375 3.738 -0.514 1.00 0.00 C ATOM 883 NZ LYS A 59 -24.757 4.014 -0.999 1.00 0.00 N ATOM 0 H LYS A 59 -19.250 1.604 -3.300 1.00 0.00 H new ATOM 0 HA LYS A 59 -18.885 4.175 -2.166 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -20.330 1.642 -1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.140 2.855 -0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -21.264 4.547 -1.504 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.164 3.578 -2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -23.239 2.773 -2.444 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -22.480 1.874 -1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -23.411 3.226 0.447 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -22.840 4.674 -0.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -25.152 4.824 -0.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -24.731 4.233 -2.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -25.354 3.177 -0.841 1.00 0.00 H new ATOM 897 N ALA A 60 -17.362 1.715 -0.553 1.00 0.00 N ATOM 898 CA ALA A 60 -16.271 1.463 0.427 1.00 0.00 C ATOM 899 C ALA A 60 -14.986 2.106 -0.091 1.00 0.00 C ATOM 900 O ALA A 60 -14.199 2.644 0.662 1.00 0.00 O ATOM 901 CB ALA A 60 -16.062 -0.045 0.583 1.00 0.00 C ATOM 0 H ALA A 60 -17.789 0.879 -0.952 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.535 1.890 1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -15.263 -0.229 1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -16.983 -0.505 0.940 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -15.791 -0.476 -0.381 1.00 0.00 H new ATOM 907 N THR A 61 -14.773 2.061 -1.378 1.00 0.00 N ATOM 908 CA THR A 61 -13.546 2.677 -1.953 1.00 0.00 C ATOM 909 C THR A 61 -13.643 4.198 -1.819 1.00 0.00 C ATOM 910 O THR A 61 -12.733 4.849 -1.346 1.00 0.00 O ATOM 911 CB THR A 61 -13.425 2.295 -3.432 1.00 0.00 C ATOM 912 OG1 THR A 61 -14.450 2.941 -4.172 1.00 0.00 O ATOM 913 CG2 THR A 61 -13.566 0.780 -3.585 1.00 0.00 C ATOM 0 H THR A 61 -15.397 1.623 -2.056 1.00 0.00 H new ATOM 0 HA THR A 61 -12.667 2.317 -1.419 1.00 0.00 H new ATOM 0 HB THR A 61 -12.450 2.607 -3.807 1.00 0.00 H new ATOM 0 HG1 THR A 61 -15.250 3.030 -3.613 1.00 0.00 H new ATOM 0 HG21 THR A 61 -13.480 0.511 -4.638 1.00 0.00 H new ATOM 0 HG22 THR A 61 -12.780 0.282 -3.018 1.00 0.00 H new ATOM 0 HG23 THR A 61 -14.539 0.465 -3.209 1.00 0.00 H new ATOM 921 N ALA A 62 -14.744 4.770 -2.228 1.00 0.00 N ATOM 922 CA ALA A 62 -14.902 6.249 -2.119 1.00 0.00 C ATOM 923 C ALA A 62 -14.759 6.680 -0.656 1.00 0.00 C ATOM 924 O ALA A 62 -14.427 7.811 -0.363 1.00 0.00 O ATOM 925 CB ALA A 62 -16.289 6.651 -2.626 1.00 0.00 C ATOM 0 H ALA A 62 -15.540 4.277 -2.633 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.133 6.736 -2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.406 7.732 -2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -16.397 6.350 -3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -17.053 6.158 -2.025 1.00 0.00 H new ATOM 931 N ASP A 63 -15.020 5.792 0.265 1.00 0.00 N ATOM 932 CA ASP A 63 -14.913 6.156 1.708 1.00 0.00 C ATOM 933 C ASP A 63 -13.448 6.390 2.087 1.00 0.00 C ATOM 934 O ASP A 63 -13.150 6.937 3.131 1.00 0.00 O ATOM 935 CB ASP A 63 -15.482 5.022 2.563 1.00 0.00 C ATOM 936 CG ASP A 63 -16.964 5.283 2.840 1.00 0.00 C ATOM 937 OD1 ASP A 63 -17.321 6.439 3.001 1.00 0.00 O ATOM 938 OD2 ASP A 63 -17.716 4.324 2.886 1.00 0.00 O ATOM 0 H ASP A 63 -15.303 4.829 0.081 1.00 0.00 H new ATOM 0 HA ASP A 63 -15.477 7.072 1.885 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.360 4.069 2.049 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.933 4.950 3.502 1.00 0.00 H new ATOM 943 N ALA A 64 -12.528 5.982 1.258 1.00 0.00 N ATOM 944 CA ALA A 64 -11.088 6.186 1.589 1.00 0.00 C ATOM 945 C ALA A 64 -10.529 7.346 0.764 1.00 0.00 C ATOM 946 O ALA A 64 -9.332 7.521 0.653 1.00 0.00 O ATOM 947 CB ALA A 64 -10.306 4.910 1.269 1.00 0.00 C ATOM 0 H ALA A 64 -12.709 5.517 0.368 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.991 6.418 2.650 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.253 5.058 1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.701 4.083 1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.406 4.678 0.209 1.00 0.00 H new ATOM 953 N GLY A 65 -11.385 8.138 0.179 1.00 0.00 N ATOM 954 CA GLY A 65 -10.900 9.283 -0.644 1.00 0.00 C ATOM 955 C GLY A 65 -10.717 8.822 -2.090 1.00 0.00 C ATOM 956 O GLY A 65 -10.828 9.596 -3.020 1.00 0.00 O ATOM 0 H GLY A 65 -12.399 8.042 0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.613 10.106 -0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.956 9.658 -0.247 1.00 0.00 H new ATOM 960 N TYR A 66 -10.441 7.561 -2.284 1.00 0.00 N ATOM 961 CA TYR A 66 -10.254 7.034 -3.665 1.00 0.00 C ATOM 962 C TYR A 66 -11.379 6.042 -3.973 1.00 0.00 C ATOM 963 O TYR A 66 -11.495 5.025 -3.320 1.00 0.00 O ATOM 964 CB TYR A 66 -8.912 6.310 -3.761 1.00 0.00 C ATOM 965 CG TYR A 66 -7.921 6.936 -2.813 1.00 0.00 C ATOM 966 CD1 TYR A 66 -7.904 8.323 -2.621 1.00 0.00 C ATOM 967 CD2 TYR A 66 -7.012 6.124 -2.128 1.00 0.00 C ATOM 968 CE1 TYR A 66 -6.978 8.895 -1.743 1.00 0.00 C ATOM 969 CE2 TYR A 66 -6.086 6.695 -1.250 1.00 0.00 C ATOM 970 CZ TYR A 66 -6.068 8.082 -1.057 1.00 0.00 C ATOM 971 OH TYR A 66 -5.154 8.645 -0.190 1.00 0.00 O ATOM 0 H TYR A 66 -10.337 6.870 -1.541 1.00 0.00 H new ATOM 0 HA TYR A 66 -10.273 7.859 -4.377 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -9.041 5.255 -3.521 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.534 6.361 -4.782 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.606 8.951 -3.151 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.025 5.054 -2.277 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.965 9.965 -1.594 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.385 6.067 -0.721 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.599 7.940 0.203 1.00 0.00 H new ATOM 981 N PRO A 67 -12.179 6.365 -4.957 1.00 0.00 N ATOM 982 CA PRO A 67 -13.280 5.431 -5.279 1.00 0.00 C ATOM 983 C PRO A 67 -13.051 4.743 -6.626 1.00 0.00 C ATOM 984 O PRO A 67 -11.936 4.598 -7.082 1.00 0.00 O ATOM 985 CB PRO A 67 -14.548 6.282 -5.325 1.00 0.00 C ATOM 986 CG PRO A 67 -14.151 7.738 -5.009 1.00 0.00 C ATOM 987 CD PRO A 67 -12.631 7.772 -4.828 1.00 0.00 C ATOM 0 HA PRO A 67 -13.349 4.638 -4.535 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.015 6.218 -6.308 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.278 5.919 -4.601 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -14.456 8.402 -5.818 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.653 8.085 -4.105 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.161 8.405 -5.581 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.362 8.182 -3.855 1.00 0.00 H new ATOM 995 N SER A 68 -14.111 4.306 -7.253 1.00 0.00 N ATOM 996 CA SER A 68 -13.986 3.610 -8.564 1.00 0.00 C ATOM 997 C SER A 68 -15.268 3.793 -9.374 1.00 0.00 C ATOM 998 O SER A 68 -16.070 4.666 -9.106 1.00 0.00 O ATOM 999 CB SER A 68 -13.745 2.119 -8.326 1.00 0.00 C ATOM 1000 OG SER A 68 -13.692 1.870 -6.927 1.00 0.00 O ATOM 0 H SER A 68 -15.066 4.403 -6.908 1.00 0.00 H new ATOM 0 HA SER A 68 -13.148 4.035 -9.117 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.543 1.532 -8.782 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.812 1.810 -8.798 1.00 0.00 H new ATOM 0 HG SER A 68 -14.419 1.264 -6.675 1.00 0.00 H new ATOM 1006 N SER A 69 -15.460 2.973 -10.367 1.00 0.00 N ATOM 1007 CA SER A 69 -16.681 3.085 -11.207 1.00 0.00 C ATOM 1008 C SER A 69 -16.834 1.809 -12.041 1.00 0.00 C ATOM 1009 O SER A 69 -15.912 1.039 -12.171 1.00 0.00 O ATOM 1010 CB SER A 69 -16.556 4.290 -12.140 1.00 0.00 C ATOM 1011 OG SER A 69 -17.514 5.272 -11.769 1.00 0.00 O ATOM 0 H SER A 69 -14.819 2.226 -10.634 1.00 0.00 H new ATOM 0 HA SER A 69 -17.554 3.216 -10.567 1.00 0.00 H new ATOM 0 HB2 SER A 69 -15.550 4.706 -12.082 1.00 0.00 H new ATOM 0 HB3 SER A 69 -16.715 3.982 -13.174 1.00 0.00 H new ATOM 0 HG SER A 69 -17.426 5.470 -10.813 1.00 0.00 H new ATOM 1017 N VAL A 70 -17.986 1.576 -12.608 1.00 0.00 N ATOM 1018 CA VAL A 70 -18.173 0.340 -13.428 1.00 0.00 C ATOM 1019 C VAL A 70 -17.755 0.605 -14.878 1.00 0.00 C ATOM 1020 O VAL A 70 -17.912 1.697 -15.388 1.00 0.00 O ATOM 1021 CB VAL A 70 -19.646 -0.071 -13.394 1.00 0.00 C ATOM 1022 CG1 VAL A 70 -20.501 1.062 -13.963 1.00 0.00 C ATOM 1023 CG2 VAL A 70 -19.842 -1.332 -14.239 1.00 0.00 C ATOM 0 H VAL A 70 -18.803 2.183 -12.541 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.555 -0.459 -13.017 1.00 0.00 H new ATOM 0 HB VAL A 70 -19.946 -0.273 -12.366 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -21.551 0.772 -13.940 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -20.360 1.961 -13.363 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -20.202 1.262 -14.992 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -20.891 -1.626 -14.216 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -19.544 -1.130 -15.268 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -19.230 -2.139 -13.836 1.00 0.00 H new ATOM 1033 N LYS A 71 -17.228 -0.388 -15.551 1.00 0.00 N ATOM 1034 CA LYS A 71 -16.810 -0.187 -16.968 1.00 0.00 C ATOM 1035 C LYS A 71 -16.926 -1.513 -17.723 1.00 0.00 C ATOM 1036 O LYS A 71 -16.263 -2.480 -17.403 1.00 0.00 O ATOM 1037 CB LYS A 71 -15.360 0.299 -17.011 1.00 0.00 C ATOM 1038 CG LYS A 71 -15.261 1.535 -17.908 1.00 0.00 C ATOM 1039 CD LYS A 71 -13.899 1.552 -18.604 1.00 0.00 C ATOM 1040 CE LYS A 71 -14.092 1.814 -20.099 1.00 0.00 C ATOM 1041 NZ LYS A 71 -13.864 3.258 -20.382 1.00 0.00 N ATOM 0 H LYS A 71 -17.071 -1.325 -15.180 1.00 0.00 H new ATOM 0 HA LYS A 71 -17.454 0.558 -17.435 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -15.016 0.539 -16.005 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.712 -0.491 -17.390 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.060 1.525 -18.649 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.389 2.440 -17.314 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.266 2.324 -18.168 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.390 0.600 -18.454 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.399 1.205 -20.679 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.099 1.527 -20.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.995 3.438 -21.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.542 3.829 -19.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.895 3.517 -20.107 1.00 0.00 H new ATOM 1055 N GLN A 72 -17.764 -1.568 -18.722 1.00 0.00 N ATOM 1056 CA GLN A 72 -17.921 -2.833 -19.494 1.00 0.00 C ATOM 1057 C GLN A 72 -18.191 -3.988 -18.528 1.00 0.00 C ATOM 1058 O GLN A 72 -18.459 -3.715 -17.370 1.00 0.00 O ATOM 1059 CB GLN A 72 -16.638 -3.116 -20.278 1.00 0.00 C ATOM 1060 CG GLN A 72 -16.126 -1.820 -20.906 1.00 0.00 C ATOM 1061 CD GLN A 72 -14.858 -2.111 -21.710 1.00 0.00 C ATOM 1062 OE1 GLN A 72 -13.858 -2.529 -21.160 1.00 0.00 O ATOM 1063 NE2 GLN A 72 -14.857 -1.909 -22.999 1.00 0.00 N ATOM 1064 OXT GLN A 72 -18.123 -5.125 -18.963 1.00 0.00 O ATOM 0 H GLN A 72 -18.346 -0.792 -19.037 1.00 0.00 H new ATOM 0 HA GLN A 72 -18.756 -2.734 -20.187 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -15.880 -3.536 -19.616 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -16.830 -3.857 -21.054 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -16.890 -1.390 -21.554 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -15.916 -1.085 -20.129 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -15.696 -1.558 -23.461 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -14.017 -2.102 -23.545 1.00 0.00 H new TER 1073 GLN A 72