USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 562 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 31 ASN : amide:sc= -5.26! C(o=-7.9!,f=-12!) USER MOD Set 1.2: A 45 CYS SG : rot -103:sc= -2.62! USER MOD Set 2.1: A 5 LYS NZ :NH3+ -119:sc= -0.108 (180deg=-2.3!) USER MOD Set 2.2: A 21 ASN : amide:sc= 0.925 K(o=0.82,f=-14!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc=-0.00242 (180deg=-0.113) USER MOD Single : A 4 SER OG : rot 120:sc= -0.0116 USER MOD Single : A 6 LYS NZ :NH3+ 144:sc= -0.0309 (180deg=-0.259) USER MOD Single : A 10 LYS NZ :NH3+ -119:sc= -0.109 (180deg=-0.787) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 24 GLN : amide:sc= -0.0885 X(o=-0.088,f=0.14) USER MOD Single : A 25 LYS NZ :NH3+ -128:sc= -0.228 (180deg=-1.87) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -95:sc= -0.173 USER MOD Single : A 36 LYS NZ :NH3+ -153:sc= -0.0826 (180deg=-0.818) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.42! C(o=-1.4!,f=-5.5!) USER MOD Single : A 59 GLN : amide:sc= -0.677 X(o=-0.68,f=-0.24) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 120:sc= 0.928 USER MOD Single : A 66 ASN : amide:sc= -2.6! C(o=-2.6!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.672 -2.437 -15.876 1.00 0.00 N ATOM 2 CA MET A 1 8.974 -1.736 -16.080 1.00 0.00 C ATOM 3 C MET A 1 9.580 -1.338 -14.730 1.00 0.00 C ATOM 4 O MET A 1 10.782 -1.333 -14.556 1.00 0.00 O ATOM 5 CB MET A 1 8.627 -0.491 -16.898 1.00 0.00 C ATOM 6 CG MET A 1 9.860 -0.034 -17.680 1.00 0.00 C ATOM 7 SD MET A 1 10.191 -1.205 -19.020 1.00 0.00 S ATOM 8 CE MET A 1 11.970 -0.906 -19.145 1.00 0.00 C ATOM 0 H1 MET A 1 7.346 -2.835 -16.780 1.00 0.00 H new ATOM 0 H2 MET A 1 7.795 -3.204 -15.185 1.00 0.00 H new ATOM 0 H3 MET A 1 6.966 -1.761 -15.521 1.00 0.00 H new ATOM 0 HA MET A 1 9.708 -2.366 -16.583 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.809 -0.710 -17.584 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.285 0.307 -16.239 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.697 0.964 -18.087 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.722 0.029 -17.016 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.391 -1.537 -19.928 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.147 0.142 -19.389 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.446 -1.142 -18.193 1.00 0.00 H new ATOM 20 N VAL A 2 8.755 -1.006 -13.773 1.00 0.00 N ATOM 21 CA VAL A 2 9.282 -0.613 -12.434 1.00 0.00 C ATOM 22 C VAL A 2 9.731 -1.853 -11.658 1.00 0.00 C ATOM 23 O VAL A 2 10.603 -1.788 -10.814 1.00 0.00 O ATOM 24 CB VAL A 2 8.103 0.061 -11.733 1.00 0.00 C ATOM 25 CG1 VAL A 2 8.577 0.685 -10.418 1.00 0.00 C ATOM 26 CG2 VAL A 2 7.530 1.153 -12.638 1.00 0.00 C ATOM 0 H VAL A 2 7.739 -0.990 -13.861 1.00 0.00 H new ATOM 0 HA VAL A 2 10.147 0.046 -12.505 1.00 0.00 H new ATOM 0 HB VAL A 2 7.332 -0.681 -11.524 1.00 0.00 H new ATOM 0 HG11 VAL A 2 7.735 1.165 -9.919 1.00 0.00 H new ATOM 0 HG12 VAL A 2 8.986 -0.093 -9.773 1.00 0.00 H new ATOM 0 HG13 VAL A 2 9.348 1.427 -10.625 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.689 1.635 -12.139 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.301 1.895 -12.847 1.00 0.00 H new ATOM 0 HG23 VAL A 2 7.191 0.709 -13.574 1.00 0.00 H new ATOM 36 N ASP A 3 9.144 -2.985 -11.938 1.00 0.00 N ATOM 37 CA ASP A 3 9.540 -4.231 -11.220 1.00 0.00 C ATOM 38 C ASP A 3 9.156 -4.139 -9.740 1.00 0.00 C ATOM 39 O ASP A 3 9.637 -3.292 -9.014 1.00 0.00 O ATOM 40 CB ASP A 3 11.059 -4.308 -11.374 1.00 0.00 C ATOM 41 CG ASP A 3 11.498 -5.773 -11.385 1.00 0.00 C ATOM 42 OD1 ASP A 3 10.643 -6.625 -11.555 1.00 0.00 O ATOM 43 OD2 ASP A 3 12.684 -6.017 -11.225 1.00 0.00 O ATOM 0 H ASP A 3 8.407 -3.101 -12.633 1.00 0.00 H new ATOM 0 HA ASP A 3 9.041 -5.113 -11.621 1.00 0.00 H new ATOM 0 HB2 ASP A 3 11.367 -3.818 -12.298 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.545 -3.778 -10.555 1.00 0.00 H new ATOM 48 N SER A 4 8.297 -5.011 -9.288 1.00 0.00 N ATOM 49 CA SER A 4 7.885 -4.980 -7.856 1.00 0.00 C ATOM 50 C SER A 4 8.365 -6.247 -7.143 1.00 0.00 C ATOM 51 O SER A 4 9.224 -6.955 -7.630 1.00 0.00 O ATOM 52 CB SER A 4 6.358 -4.929 -7.886 1.00 0.00 C ATOM 53 OG SER A 4 5.925 -3.598 -7.633 1.00 0.00 O ATOM 0 H SER A 4 7.862 -5.744 -9.849 1.00 0.00 H new ATOM 0 HA SER A 4 8.311 -4.132 -7.320 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.991 -5.264 -8.856 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.946 -5.606 -7.138 1.00 0.00 H new ATOM 0 HG SER A 4 5.408 -3.271 -8.398 1.00 0.00 H new ATOM 59 N LYS A 5 7.819 -6.539 -5.996 1.00 0.00 N ATOM 60 CA LYS A 5 8.248 -7.762 -5.258 1.00 0.00 C ATOM 61 C LYS A 5 7.412 -8.969 -5.701 1.00 0.00 C ATOM 62 O LYS A 5 7.002 -9.782 -4.895 1.00 0.00 O ATOM 63 CB LYS A 5 7.994 -7.442 -3.784 1.00 0.00 C ATOM 64 CG LYS A 5 9.312 -7.042 -3.112 1.00 0.00 C ATOM 65 CD LYS A 5 9.573 -5.548 -3.342 1.00 0.00 C ATOM 66 CE LYS A 5 9.936 -5.312 -4.811 1.00 0.00 C ATOM 67 NZ LYS A 5 11.237 -4.585 -4.774 1.00 0.00 N ATOM 0 H LYS A 5 7.095 -5.986 -5.537 1.00 0.00 H new ATOM 0 HA LYS A 5 9.291 -8.015 -5.446 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.269 -6.633 -3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.566 -8.309 -3.281 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.266 -7.253 -2.044 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.133 -7.632 -3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.688 -4.969 -3.078 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.382 -5.206 -2.697 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.025 -6.254 -5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.170 -4.725 -5.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.127 -3.654 -5.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.537 -4.459 -3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.956 -5.134 -5.287 1.00 0.00 H new ATOM 81 N LYS A 6 7.162 -9.093 -6.976 1.00 0.00 N ATOM 82 CA LYS A 6 6.358 -10.248 -7.474 1.00 0.00 C ATOM 83 C LYS A 6 4.981 -10.272 -6.807 1.00 0.00 C ATOM 84 O LYS A 6 4.161 -9.402 -7.030 1.00 0.00 O ATOM 85 CB LYS A 6 7.168 -11.489 -7.092 1.00 0.00 C ATOM 86 CG LYS A 6 8.579 -11.380 -7.679 1.00 0.00 C ATOM 87 CD LYS A 6 9.485 -12.432 -7.032 1.00 0.00 C ATOM 88 CE LYS A 6 9.374 -13.748 -7.805 1.00 0.00 C ATOM 89 NZ LYS A 6 8.442 -14.588 -7.002 1.00 0.00 N ATOM 0 H LYS A 6 7.480 -8.444 -7.696 1.00 0.00 H new ATOM 0 HA LYS A 6 6.181 -10.192 -8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.220 -11.582 -6.007 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.676 -12.387 -7.466 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.547 -11.527 -8.759 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.981 -10.382 -7.504 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.518 -12.085 -7.030 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.198 -12.584 -5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.990 -13.583 -8.812 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.347 -14.228 -7.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.851 -15.158 -7.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.990 -15.218 -6.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.833 -13.975 -6.423 1.00 0.00 H new ATOM 103 N ARG A 7 4.705 -11.267 -6.008 1.00 0.00 N ATOM 104 CA ARG A 7 3.365 -11.339 -5.360 1.00 0.00 C ATOM 105 C ARG A 7 2.294 -11.522 -6.441 1.00 0.00 C ATOM 106 O ARG A 7 2.619 -11.725 -7.594 1.00 0.00 O ATOM 107 CB ARG A 7 3.206 -9.990 -4.656 1.00 0.00 C ATOM 108 CG ARG A 7 2.987 -10.217 -3.158 1.00 0.00 C ATOM 109 CD ARG A 7 2.075 -9.121 -2.603 1.00 0.00 C ATOM 110 NE ARG A 7 0.848 -9.836 -2.148 1.00 0.00 N ATOM 111 CZ ARG A 7 0.926 -10.724 -1.194 1.00 0.00 C ATOM 112 NH1 ARG A 7 1.473 -10.408 -0.052 1.00 0.00 N ATOM 113 NH2 ARG A 7 0.463 -11.930 -1.385 1.00 0.00 N ATOM 0 H ARG A 7 5.344 -12.028 -5.777 1.00 0.00 H new ATOM 0 HA ARG A 7 3.266 -12.171 -4.662 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.094 -9.378 -4.816 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.362 -9.445 -5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.540 -11.197 -2.990 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.943 -10.209 -2.635 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.552 -8.590 -1.779 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.840 -8.379 -3.366 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.052 -9.631 -2.582 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.839 -9.468 0.095 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.534 -11.102 0.693 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.040 -12.178 -2.280 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.524 -12.624 -0.640 1.00 0.00 H new ATOM 127 N PRO A 8 1.049 -11.431 -6.049 1.00 0.00 N ATOM 128 CA PRO A 8 -0.048 -11.575 -7.027 1.00 0.00 C ATOM 129 C PRO A 8 -0.081 -10.356 -7.951 1.00 0.00 C ATOM 130 O PRO A 8 -1.086 -9.682 -8.078 1.00 0.00 O ATOM 131 CB PRO A 8 -1.303 -11.655 -6.163 1.00 0.00 C ATOM 132 CG PRO A 8 -0.933 -10.983 -4.877 1.00 0.00 C ATOM 133 CD PRO A 8 0.553 -11.184 -4.689 1.00 0.00 C ATOM 0 HA PRO A 8 0.057 -12.446 -7.674 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.144 -11.154 -6.642 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.601 -12.690 -5.996 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.178 -9.921 -4.912 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.489 -11.411 -4.043 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.022 -10.306 -4.246 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.762 -12.025 -4.028 1.00 0.00 H new ATOM 141 N GLY A 9 1.021 -10.063 -8.592 1.00 0.00 N ATOM 142 CA GLY A 9 1.075 -8.886 -9.501 1.00 0.00 C ATOM 143 C GLY A 9 -0.155 -8.884 -10.411 1.00 0.00 C ATOM 144 O GLY A 9 -0.670 -7.844 -10.771 1.00 0.00 O ATOM 0 H GLY A 9 1.889 -10.594 -8.522 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.111 -7.965 -8.919 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.984 -8.919 -10.101 1.00 0.00 H new ATOM 148 N LYS A 10 -0.634 -10.041 -10.783 1.00 0.00 N ATOM 149 CA LYS A 10 -1.835 -10.100 -11.667 1.00 0.00 C ATOM 150 C LYS A 10 -3.015 -9.402 -10.993 1.00 0.00 C ATOM 151 O LYS A 10 -3.989 -9.050 -11.628 1.00 0.00 O ATOM 152 CB LYS A 10 -2.120 -11.596 -11.850 1.00 0.00 C ATOM 153 CG LYS A 10 -3.612 -11.807 -12.130 1.00 0.00 C ATOM 154 CD LYS A 10 -3.851 -13.252 -12.571 1.00 0.00 C ATOM 155 CE LYS A 10 -5.112 -13.319 -13.435 1.00 0.00 C ATOM 156 NZ LYS A 10 -4.721 -12.704 -14.733 1.00 0.00 N ATOM 0 H LYS A 10 -0.247 -10.946 -10.514 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.675 -9.600 -12.622 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.526 -11.991 -12.674 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.827 -12.144 -10.955 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.195 -11.588 -11.235 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.948 -11.119 -12.906 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.992 -13.619 -13.133 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.960 -13.897 -11.699 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.444 -14.348 -13.570 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.937 -12.776 -12.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.309 -11.865 -14.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.720 -12.424 -14.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.860 -13.393 -15.499 1.00 0.00 H new ATOM 170 N ASP A 11 -2.929 -9.194 -9.716 1.00 0.00 N ATOM 171 CA ASP A 11 -4.036 -8.510 -8.991 1.00 0.00 C ATOM 172 C ASP A 11 -3.478 -7.732 -7.803 1.00 0.00 C ATOM 173 O ASP A 11 -3.505 -8.190 -6.678 1.00 0.00 O ATOM 174 CB ASP A 11 -4.953 -9.636 -8.513 1.00 0.00 C ATOM 175 CG ASP A 11 -6.167 -9.037 -7.801 1.00 0.00 C ATOM 176 OD1 ASP A 11 -6.644 -8.006 -8.249 1.00 0.00 O ATOM 177 OD2 ASP A 11 -6.602 -9.619 -6.820 1.00 0.00 O ATOM 0 H ASP A 11 -2.136 -9.468 -9.135 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.566 -7.796 -9.621 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.277 -10.240 -9.360 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.412 -10.298 -7.837 1.00 0.00 H new ATOM 182 N LEU A 12 -2.960 -6.563 -8.045 1.00 0.00 N ATOM 183 CA LEU A 12 -2.385 -5.760 -6.933 1.00 0.00 C ATOM 184 C LEU A 12 -2.591 -4.270 -7.192 1.00 0.00 C ATOM 185 O LEU A 12 -2.518 -3.810 -8.314 1.00 0.00 O ATOM 186 CB LEU A 12 -0.896 -6.097 -6.944 1.00 0.00 C ATOM 187 CG LEU A 12 -0.492 -6.694 -5.598 1.00 0.00 C ATOM 188 CD1 LEU A 12 0.855 -7.403 -5.740 1.00 0.00 C ATOM 189 CD2 LEU A 12 -0.371 -5.576 -4.561 1.00 0.00 C ATOM 0 H LEU A 12 -2.910 -6.128 -8.966 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.855 -5.983 -5.975 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.679 -6.803 -7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.312 -5.199 -7.144 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.248 -7.410 -5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.145 -7.830 -4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.771 -8.199 -6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.611 -6.687 -6.062 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.083 -6.001 -3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.386 -4.861 -4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.330 -5.068 -4.460 1.00 0.00 H new ATOM 201 N ASP A 13 -2.828 -3.506 -6.163 1.00 0.00 N ATOM 202 CA ASP A 13 -3.014 -2.043 -6.355 1.00 0.00 C ATOM 203 C ASP A 13 -1.654 -1.365 -6.480 1.00 0.00 C ATOM 204 O ASP A 13 -0.779 -1.552 -5.657 1.00 0.00 O ATOM 205 CB ASP A 13 -3.742 -1.563 -5.098 1.00 0.00 C ATOM 206 CG ASP A 13 -5.246 -1.490 -5.376 1.00 0.00 C ATOM 207 OD1 ASP A 13 -5.698 -0.444 -5.812 1.00 0.00 O ATOM 208 OD2 ASP A 13 -5.920 -2.482 -5.145 1.00 0.00 O ATOM 0 H ASP A 13 -2.901 -3.832 -5.199 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.577 -1.809 -7.259 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.547 -2.244 -4.269 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.368 -0.583 -4.800 1.00 0.00 H new ATOM 213 N ARG A 14 -1.461 -0.593 -7.511 1.00 0.00 N ATOM 214 CA ARG A 14 -0.150 0.080 -7.698 1.00 0.00 C ATOM 215 C ARG A 14 0.383 0.592 -6.358 1.00 0.00 C ATOM 216 O ARG A 14 1.575 0.713 -6.158 1.00 0.00 O ATOM 217 CB ARG A 14 -0.433 1.248 -8.642 1.00 0.00 C ATOM 218 CG ARG A 14 0.874 1.981 -8.953 1.00 0.00 C ATOM 219 CD ARG A 14 1.972 0.960 -9.264 1.00 0.00 C ATOM 220 NE ARG A 14 2.839 1.628 -10.274 1.00 0.00 N ATOM 221 CZ ARG A 14 2.951 1.126 -11.472 1.00 0.00 C ATOM 222 NH1 ARG A 14 1.977 1.266 -12.332 1.00 0.00 N ATOM 223 NH2 ARG A 14 4.035 0.483 -11.812 1.00 0.00 N ATOM 0 H ARG A 14 -2.156 -0.400 -8.232 1.00 0.00 H new ATOM 0 HA ARG A 14 0.604 -0.597 -8.100 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.886 0.883 -9.564 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.147 1.933 -8.186 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.735 2.651 -9.802 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.167 2.599 -8.104 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.536 0.701 -8.368 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.551 0.034 -9.655 1.00 0.00 H new ATOM 0 HE ARG A 14 3.345 2.479 -10.028 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.130 1.768 -12.066 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.064 0.874 -13.269 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.795 0.373 -11.140 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.122 0.090 -12.749 1.00 0.00 H new ATOM 237 N ILE A 15 -0.492 0.890 -5.438 1.00 0.00 N ATOM 238 CA ILE A 15 -0.037 1.388 -4.111 1.00 0.00 C ATOM 239 C ILE A 15 0.576 0.250 -3.296 1.00 0.00 C ATOM 240 O ILE A 15 1.636 0.386 -2.722 1.00 0.00 O ATOM 241 CB ILE A 15 -1.298 1.911 -3.432 1.00 0.00 C ATOM 242 CG1 ILE A 15 -2.082 2.791 -4.412 1.00 0.00 C ATOM 243 CG2 ILE A 15 -0.904 2.736 -2.209 1.00 0.00 C ATOM 244 CD1 ILE A 15 -1.119 3.730 -5.146 1.00 0.00 C ATOM 0 H ILE A 15 -1.503 0.810 -5.548 1.00 0.00 H new ATOM 0 HA ILE A 15 0.729 2.158 -4.202 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.922 1.072 -3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.615 2.167 -5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.832 3.371 -3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.802 3.113 -1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.346 2.110 -1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.282 3.575 -2.521 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.679 4.354 -5.842 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.606 4.364 -4.422 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.385 3.141 -5.697 1.00 0.00 H new ATOM 256 N ASP A 16 -0.080 -0.876 -3.243 1.00 0.00 N ATOM 257 CA ASP A 16 0.470 -2.017 -2.463 1.00 0.00 C ATOM 258 C ASP A 16 1.727 -2.566 -3.146 1.00 0.00 C ATOM 259 O ASP A 16 2.589 -3.140 -2.512 1.00 0.00 O ATOM 260 CB ASP A 16 -0.639 -3.067 -2.469 1.00 0.00 C ATOM 261 CG ASP A 16 -1.950 -2.431 -2.001 1.00 0.00 C ATOM 262 OD1 ASP A 16 -2.414 -1.521 -2.666 1.00 0.00 O ATOM 263 OD2 ASP A 16 -2.467 -2.868 -0.985 1.00 0.00 O ATOM 0 H ASP A 16 -0.971 -1.054 -3.706 1.00 0.00 H new ATOM 0 HA ASP A 16 0.756 -1.728 -1.452 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.760 -3.478 -3.472 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.372 -3.897 -1.815 1.00 0.00 H new ATOM 268 N ARG A 17 1.837 -2.395 -4.434 1.00 0.00 N ATOM 269 CA ARG A 17 3.038 -2.912 -5.150 1.00 0.00 C ATOM 270 C ARG A 17 4.234 -2.011 -4.886 1.00 0.00 C ATOM 271 O ARG A 17 5.187 -2.399 -4.241 1.00 0.00 O ATOM 272 CB ARG A 17 2.660 -2.886 -6.632 1.00 0.00 C ATOM 273 CG ARG A 17 1.315 -3.588 -6.830 1.00 0.00 C ATOM 274 CD ARG A 17 0.754 -3.238 -8.211 1.00 0.00 C ATOM 275 NE ARG A 17 0.903 -4.484 -9.011 1.00 0.00 N ATOM 276 CZ ARG A 17 0.709 -4.458 -10.302 1.00 0.00 C ATOM 277 NH1 ARG A 17 -0.496 -4.605 -10.784 1.00 0.00 N ATOM 278 NH2 ARG A 17 1.719 -4.285 -11.111 1.00 0.00 N ATOM 0 H ARG A 17 1.150 -1.921 -5.021 1.00 0.00 H new ATOM 0 HA ARG A 17 3.317 -3.913 -4.820 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.600 -1.856 -6.984 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.431 -3.381 -7.223 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.439 -4.667 -6.739 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.615 -3.281 -6.053 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.290 -2.932 -8.147 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.302 -2.411 -8.662 1.00 0.00 H new ATOM 0 HE ARG A 17 1.157 -5.358 -8.551 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.285 -4.740 -10.152 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.648 -4.585 -11.792 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.660 -4.170 -10.735 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.567 -4.265 -12.119 1.00 0.00 H new ATOM 292 N ASN A 18 4.190 -0.806 -5.360 1.00 0.00 N ATOM 293 CA ASN A 18 5.323 0.121 -5.113 1.00 0.00 C ATOM 294 C ASN A 18 5.596 0.181 -3.620 1.00 0.00 C ATOM 295 O ASN A 18 6.712 0.390 -3.187 1.00 0.00 O ATOM 296 CB ASN A 18 4.856 1.479 -5.635 1.00 0.00 C ATOM 297 CG ASN A 18 6.075 2.347 -5.958 1.00 0.00 C ATOM 298 OD1 ASN A 18 6.955 2.507 -5.136 1.00 0.00 O ATOM 299 ND2 ASN A 18 6.165 2.917 -7.129 1.00 0.00 N ATOM 0 H ASN A 18 3.421 -0.420 -5.908 1.00 0.00 H new ATOM 0 HA ASN A 18 6.244 -0.194 -5.605 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.243 1.347 -6.527 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.232 1.972 -4.890 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.974 3.496 -7.353 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.426 2.783 -7.820 1.00 0.00 H new ATOM 306 N ILE A 19 4.587 -0.038 -2.826 1.00 0.00 N ATOM 307 CA ILE A 19 4.790 -0.038 -1.361 1.00 0.00 C ATOM 308 C ILE A 19 5.706 -1.199 -0.984 1.00 0.00 C ATOM 309 O ILE A 19 6.698 -1.023 -0.306 1.00 0.00 O ATOM 310 CB ILE A 19 3.388 -0.222 -0.766 1.00 0.00 C ATOM 311 CG1 ILE A 19 2.746 1.147 -0.542 1.00 0.00 C ATOM 312 CG2 ILE A 19 3.481 -0.961 0.571 1.00 0.00 C ATOM 313 CD1 ILE A 19 1.308 0.963 -0.054 1.00 0.00 C ATOM 0 H ILE A 19 3.631 -0.217 -3.133 1.00 0.00 H new ATOM 0 HA ILE A 19 5.257 0.875 -0.992 1.00 0.00 H new ATOM 0 HB ILE A 19 2.781 -0.805 -1.458 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.320 1.714 0.191 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.756 1.721 -1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.482 -1.088 0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.936 -1.939 0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.092 -0.383 1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.850 1.939 0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.737 0.413 -0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.310 0.406 0.883 1.00 0.00 H new ATOM 325 N LEU A 20 5.399 -2.386 -1.444 1.00 0.00 N ATOM 326 CA LEU A 20 6.274 -3.547 -1.131 1.00 0.00 C ATOM 327 C LEU A 20 7.702 -3.244 -1.575 1.00 0.00 C ATOM 328 O LEU A 20 8.654 -3.518 -0.871 1.00 0.00 O ATOM 329 CB LEU A 20 5.698 -4.712 -1.936 1.00 0.00 C ATOM 330 CG LEU A 20 4.385 -5.168 -1.302 1.00 0.00 C ATOM 331 CD1 LEU A 20 3.650 -6.103 -2.263 1.00 0.00 C ATOM 332 CD2 LEU A 20 4.681 -5.910 0.004 1.00 0.00 C ATOM 0 H LEU A 20 4.584 -2.597 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 20 6.304 -3.772 -0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.529 -4.406 -2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.409 -5.538 -1.960 1.00 0.00 H new ATOM 0 HG LEU A 20 3.761 -4.298 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.713 -6.428 -1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.439 -5.576 -3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.273 -6.973 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.745 -6.236 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.305 -6.779 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.204 -5.244 0.690 1.00 0.00 H new ATOM 344 N ASN A 21 7.861 -2.656 -2.732 1.00 0.00 N ATOM 345 CA ASN A 21 9.228 -2.314 -3.201 1.00 0.00 C ATOM 346 C ASN A 21 9.889 -1.382 -2.191 1.00 0.00 C ATOM 347 O ASN A 21 11.064 -1.496 -1.899 1.00 0.00 O ATOM 348 CB ASN A 21 9.027 -1.601 -4.537 1.00 0.00 C ATOM 349 CG ASN A 21 10.378 -1.445 -5.237 1.00 0.00 C ATOM 350 OD1 ASN A 21 10.849 -2.359 -5.884 1.00 0.00 O ATOM 351 ND2 ASN A 21 11.027 -0.318 -5.132 1.00 0.00 N ATOM 0 H ASN A 21 7.105 -2.400 -3.367 1.00 0.00 H new ATOM 0 HA ASN A 21 9.867 -3.190 -3.308 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.342 -2.170 -5.166 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.573 -0.623 -4.375 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.930 -0.204 -5.593 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.632 0.449 -4.589 1.00 0.00 H new ATOM 358 N GLU A 22 9.136 -0.470 -1.640 1.00 0.00 N ATOM 359 CA GLU A 22 9.714 0.459 -0.633 1.00 0.00 C ATOM 360 C GLU A 22 10.171 -0.328 0.592 1.00 0.00 C ATOM 361 O GLU A 22 11.210 -0.060 1.161 1.00 0.00 O ATOM 362 CB GLU A 22 8.575 1.408 -0.268 1.00 0.00 C ATOM 363 CG GLU A 22 8.611 2.630 -1.187 1.00 0.00 C ATOM 364 CD GLU A 22 7.243 3.312 -1.181 1.00 0.00 C ATOM 365 OE1 GLU A 22 6.426 2.950 -0.348 1.00 0.00 O ATOM 366 OE2 GLU A 22 7.033 4.184 -2.008 1.00 0.00 O ATOM 0 H GLU A 22 8.147 -0.329 -1.844 1.00 0.00 H new ATOM 0 HA GLU A 22 10.582 0.998 -1.012 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.617 0.897 -0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.667 1.720 0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.379 3.328 -0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.875 2.328 -2.201 1.00 0.00 H new ATOM 373 N LEU A 23 9.412 -1.309 0.995 1.00 0.00 N ATOM 374 CA LEU A 23 9.819 -2.122 2.170 1.00 0.00 C ATOM 375 C LEU A 23 11.080 -2.913 1.829 1.00 0.00 C ATOM 376 O LEU A 23 11.996 -3.013 2.620 1.00 0.00 O ATOM 377 CB LEU A 23 8.640 -3.061 2.434 1.00 0.00 C ATOM 378 CG LEU A 23 7.528 -2.305 3.177 1.00 0.00 C ATOM 379 CD1 LEU A 23 8.142 -1.422 4.267 1.00 0.00 C ATOM 380 CD2 LEU A 23 6.755 -1.431 2.190 1.00 0.00 C ATOM 0 H LEU A 23 8.530 -1.581 0.561 1.00 0.00 H new ATOM 0 HA LEU A 23 10.047 -1.514 3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.258 -3.454 1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.969 -3.915 3.025 1.00 0.00 H new ATOM 0 HG LEU A 23 6.849 -3.025 3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.350 -0.888 4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.689 -2.045 4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.824 -0.704 3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.966 -0.895 2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.435 -0.714 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.312 -2.059 1.417 1.00 0.00 H new ATOM 392 N GLN A 24 11.150 -3.445 0.639 1.00 0.00 N ATOM 393 CA GLN A 24 12.371 -4.191 0.233 1.00 0.00 C ATOM 394 C GLN A 24 13.552 -3.225 0.160 1.00 0.00 C ATOM 395 O GLN A 24 14.665 -3.559 0.512 1.00 0.00 O ATOM 396 CB GLN A 24 12.051 -4.756 -1.151 1.00 0.00 C ATOM 397 CG GLN A 24 13.335 -5.277 -1.801 1.00 0.00 C ATOM 398 CD GLN A 24 13.944 -6.371 -0.922 1.00 0.00 C ATOM 399 OE1 GLN A 24 14.958 -6.161 -0.285 1.00 0.00 O ATOM 400 NE2 GLN A 24 13.365 -7.540 -0.859 1.00 0.00 N ATOM 0 H GLN A 24 10.415 -3.395 -0.067 1.00 0.00 H new ATOM 0 HA GLN A 24 12.637 -4.981 0.936 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.321 -5.561 -1.067 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.602 -3.984 -1.776 1.00 0.00 H new ATOM 0 HG2 GLN A 24 13.118 -5.672 -2.794 1.00 0.00 H new ATOM 0 HG3 GLN A 24 14.047 -4.462 -1.930 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.514 -7.717 -1.393 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.764 -8.276 -0.276 1.00 0.00 H new ATOM 409 N LYS A 25 13.309 -2.016 -0.278 1.00 0.00 N ATOM 410 CA LYS A 25 14.411 -1.014 -0.352 1.00 0.00 C ATOM 411 C LYS A 25 14.674 -0.435 1.033 1.00 0.00 C ATOM 412 O LYS A 25 15.782 -0.054 1.360 1.00 0.00 O ATOM 413 CB LYS A 25 13.898 0.067 -1.320 1.00 0.00 C ATOM 414 CG LYS A 25 13.453 1.311 -0.540 1.00 0.00 C ATOM 415 CD LYS A 25 12.881 2.346 -1.511 1.00 0.00 C ATOM 416 CE LYS A 25 12.732 3.692 -0.796 1.00 0.00 C ATOM 417 NZ LYS A 25 14.121 4.211 -0.658 1.00 0.00 N ATOM 0 H LYS A 25 12.396 -1.681 -0.587 1.00 0.00 H new ATOM 0 HA LYS A 25 15.352 -1.443 -0.697 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.683 0.334 -2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.064 -0.323 -1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.702 1.039 0.202 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.298 1.734 0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.538 2.452 -2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.913 2.012 -1.886 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.110 4.378 -1.371 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.257 3.571 0.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.298 4.469 0.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.797 3.477 -0.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.240 5.050 -1.261 1.00 0.00 H new ATOM 431 N ASP A 26 13.670 -0.381 1.855 1.00 0.00 N ATOM 432 CA ASP A 26 13.864 0.154 3.226 1.00 0.00 C ATOM 433 C ASP A 26 13.136 -0.732 4.243 1.00 0.00 C ATOM 434 O ASP A 26 11.953 -0.583 4.477 1.00 0.00 O ATOM 435 CB ASP A 26 13.250 1.555 3.196 1.00 0.00 C ATOM 436 CG ASP A 26 14.342 2.596 3.445 1.00 0.00 C ATOM 437 OD1 ASP A 26 15.429 2.424 2.917 1.00 0.00 O ATOM 438 OD2 ASP A 26 14.075 3.549 4.160 1.00 0.00 O ATOM 0 H ASP A 26 12.721 -0.685 1.637 1.00 0.00 H new ATOM 0 HA ASP A 26 14.914 0.178 3.518 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.775 1.735 2.232 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.473 1.639 3.955 1.00 0.00 H new ATOM 443 N GLY A 27 13.832 -1.663 4.840 1.00 0.00 N ATOM 444 CA GLY A 27 13.177 -2.568 5.830 1.00 0.00 C ATOM 445 C GLY A 27 13.115 -1.886 7.200 1.00 0.00 C ATOM 446 O GLY A 27 12.846 -2.517 8.203 1.00 0.00 O ATOM 0 H GLY A 27 14.825 -1.836 4.685 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.171 -2.821 5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.733 -3.503 5.904 1.00 0.00 H new ATOM 450 N ARG A 28 13.360 -0.607 7.254 1.00 0.00 N ATOM 451 CA ARG A 28 13.312 0.106 8.564 1.00 0.00 C ATOM 452 C ARG A 28 12.464 1.377 8.449 1.00 0.00 C ATOM 453 O ARG A 28 12.749 2.382 9.069 1.00 0.00 O ATOM 454 CB ARG A 28 14.772 0.460 8.880 1.00 0.00 C ATOM 455 CG ARG A 28 15.497 0.863 7.591 1.00 0.00 C ATOM 456 CD ARG A 28 14.856 2.130 7.018 1.00 0.00 C ATOM 457 NE ARG A 28 14.849 3.097 8.148 1.00 0.00 N ATOM 458 CZ ARG A 28 15.859 3.905 8.322 1.00 0.00 C ATOM 459 NH1 ARG A 28 16.010 4.938 7.540 1.00 0.00 N ATOM 460 NH2 ARG A 28 16.718 3.680 9.279 1.00 0.00 N ATOM 0 H ARG A 28 13.591 -0.024 6.450 1.00 0.00 H new ATOM 0 HA ARG A 28 12.862 -0.504 9.347 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.810 1.277 9.601 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.272 -0.393 9.338 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.553 1.038 7.795 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.443 0.054 6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.426 2.514 6.172 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.846 1.934 6.659 1.00 0.00 H new ATOM 0 HE ARG A 28 14.055 3.129 8.787 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.339 5.114 6.793 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.799 5.570 7.676 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.600 2.873 9.891 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.507 4.312 9.415 1.00 0.00 H new ATOM 474 N ILE A 29 11.427 1.341 7.656 1.00 0.00 N ATOM 475 CA ILE A 29 10.570 2.553 7.498 1.00 0.00 C ATOM 476 C ILE A 29 9.156 2.282 8.008 1.00 0.00 C ATOM 477 O ILE A 29 8.597 1.224 7.794 1.00 0.00 O ATOM 478 CB ILE A 29 10.552 2.827 5.993 1.00 0.00 C ATOM 479 CG1 ILE A 29 9.640 4.022 5.702 1.00 0.00 C ATOM 480 CG2 ILE A 29 10.025 1.595 5.255 1.00 0.00 C ATOM 481 CD1 ILE A 29 9.692 4.352 4.208 1.00 0.00 C ATOM 0 H ILE A 29 11.136 0.528 7.112 1.00 0.00 H new ATOM 0 HA ILE A 29 10.950 3.401 8.067 1.00 0.00 H new ATOM 0 HB ILE A 29 11.564 3.049 5.654 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.617 3.793 5.999 1.00 0.00 H new ATOM 0 HG13 ILE A 29 9.956 4.885 6.287 1.00 0.00 H new ATOM 0 HG21 ILE A 29 10.012 1.791 4.183 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.673 0.743 5.461 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.014 1.372 5.595 1.00 0.00 H new ATOM 0 HD11 ILE A 29 9.043 5.203 4.000 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.715 4.599 3.925 1.00 0.00 H new ATOM 0 HD13 ILE A 29 9.355 3.490 3.633 1.00 0.00 H new ATOM 493 N SER A 30 8.571 3.235 8.677 1.00 0.00 N ATOM 494 CA SER A 30 7.192 3.040 9.196 1.00 0.00 C ATOM 495 C SER A 30 6.177 3.171 8.053 1.00 0.00 C ATOM 496 O SER A 30 6.322 2.563 7.011 1.00 0.00 O ATOM 497 CB SER A 30 6.999 4.154 10.225 1.00 0.00 C ATOM 498 OG SER A 30 5.998 3.769 11.157 1.00 0.00 O ATOM 0 H SER A 30 8.990 4.141 8.886 1.00 0.00 H new ATOM 0 HA SER A 30 7.046 2.053 9.636 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.937 4.351 10.743 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.710 5.079 9.726 1.00 0.00 H new ATOM 0 HG SER A 30 5.875 4.482 11.818 1.00 0.00 H new ATOM 504 N ASN A 31 5.157 3.969 8.231 1.00 0.00 N ATOM 505 CA ASN A 31 4.150 4.142 7.144 1.00 0.00 C ATOM 506 C ASN A 31 4.122 5.593 6.675 1.00 0.00 C ATOM 507 O ASN A 31 3.998 5.867 5.502 1.00 0.00 O ATOM 508 CB ASN A 31 2.814 3.750 7.771 1.00 0.00 C ATOM 509 CG ASN A 31 2.047 2.850 6.803 1.00 0.00 C ATOM 510 OD1 ASN A 31 1.534 3.311 5.803 1.00 0.00 O ATOM 511 ND2 ASN A 31 1.951 1.573 7.055 1.00 0.00 N ATOM 0 H ASN A 31 4.978 4.507 9.079 1.00 0.00 H new ATOM 0 HA ASN A 31 4.380 3.533 6.269 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.981 3.230 8.715 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.230 4.642 7.997 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.446 0.963 6.413 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.381 1.185 7.894 1.00 0.00 H new ATOM 518 N VAL A 32 4.256 6.530 7.575 1.00 0.00 N ATOM 519 CA VAL A 32 4.259 7.957 7.149 1.00 0.00 C ATOM 520 C VAL A 32 5.162 8.111 5.928 1.00 0.00 C ATOM 521 O VAL A 32 4.731 8.536 4.874 1.00 0.00 O ATOM 522 CB VAL A 32 4.818 8.733 8.343 1.00 0.00 C ATOM 523 CG1 VAL A 32 4.943 10.212 7.977 1.00 0.00 C ATOM 524 CG2 VAL A 32 3.872 8.582 9.537 1.00 0.00 C ATOM 0 H VAL A 32 4.362 6.371 8.577 1.00 0.00 H new ATOM 0 HA VAL A 32 3.269 8.320 6.873 1.00 0.00 H new ATOM 0 HB VAL A 32 5.800 8.339 8.604 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.341 10.765 8.828 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.616 10.321 7.126 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.961 10.606 7.716 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.270 9.135 10.388 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.890 8.976 9.275 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.782 7.528 9.799 1.00 0.00 H new ATOM 534 N GLU A 33 6.402 7.719 6.046 1.00 0.00 N ATOM 535 CA GLU A 33 7.314 7.790 4.873 1.00 0.00 C ATOM 536 C GLU A 33 6.840 6.791 3.818 1.00 0.00 C ATOM 537 O GLU A 33 6.945 7.024 2.631 1.00 0.00 O ATOM 538 CB GLU A 33 8.690 7.397 5.412 1.00 0.00 C ATOM 539 CG GLU A 33 9.748 7.631 4.332 1.00 0.00 C ATOM 540 CD GLU A 33 10.672 8.771 4.760 1.00 0.00 C ATOM 541 OE1 GLU A 33 10.727 9.048 5.947 1.00 0.00 O ATOM 542 OE2 GLU A 33 11.311 9.348 3.895 1.00 0.00 O ATOM 0 H GLU A 33 6.820 7.354 6.902 1.00 0.00 H new ATOM 0 HA GLU A 33 7.338 8.776 4.409 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.926 7.984 6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.688 6.350 5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.326 6.721 4.172 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.268 7.875 3.384 1.00 0.00 H new ATOM 549 N LEU A 34 6.285 5.689 4.253 1.00 0.00 N ATOM 550 CA LEU A 34 5.762 4.681 3.291 1.00 0.00 C ATOM 551 C LEU A 34 4.524 5.240 2.589 1.00 0.00 C ATOM 552 O LEU A 34 4.084 4.730 1.580 1.00 0.00 O ATOM 553 CB LEU A 34 5.393 3.471 4.149 1.00 0.00 C ATOM 554 CG LEU A 34 5.975 2.204 3.522 1.00 0.00 C ATOM 555 CD1 LEU A 34 6.137 1.128 4.598 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.032 1.695 2.429 1.00 0.00 C ATOM 0 H LEU A 34 6.173 5.446 5.237 1.00 0.00 H new ATOM 0 HA LEU A 34 6.485 4.421 2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.778 3.598 5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.309 3.385 4.229 1.00 0.00 H new ATOM 0 HG LEU A 34 6.948 2.430 3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.552 0.225 4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.810 1.489 5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.165 0.902 5.036 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.447 0.792 1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.058 1.470 2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.918 2.460 1.661 1.00 0.00 H new ATOM 568 N SER A 35 3.956 6.284 3.129 1.00 0.00 N ATOM 569 CA SER A 35 2.745 6.890 2.513 1.00 0.00 C ATOM 570 C SER A 35 3.146 7.905 1.434 1.00 0.00 C ATOM 571 O SER A 35 2.617 7.908 0.343 1.00 0.00 O ATOM 572 CB SER A 35 2.035 7.591 3.663 1.00 0.00 C ATOM 573 OG SER A 35 2.639 8.856 3.891 1.00 0.00 O ATOM 0 H SER A 35 4.283 6.746 3.978 1.00 0.00 H new ATOM 0 HA SER A 35 2.112 6.147 2.028 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.978 7.718 3.429 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.091 6.981 4.565 1.00 0.00 H new ATOM 0 HG SER A 35 3.307 8.776 4.603 1.00 0.00 H new ATOM 579 N LYS A 36 4.074 8.768 1.736 1.00 0.00 N ATOM 580 CA LYS A 36 4.502 9.788 0.731 1.00 0.00 C ATOM 581 C LYS A 36 5.497 9.183 -0.266 1.00 0.00 C ATOM 582 O LYS A 36 5.743 9.735 -1.320 1.00 0.00 O ATOM 583 CB LYS A 36 5.171 10.889 1.553 1.00 0.00 C ATOM 584 CG LYS A 36 4.209 11.367 2.643 1.00 0.00 C ATOM 585 CD LYS A 36 4.892 11.268 4.007 1.00 0.00 C ATOM 586 CE LYS A 36 5.540 12.610 4.353 1.00 0.00 C ATOM 587 NZ LYS A 36 5.427 12.721 5.833 1.00 0.00 N ATOM 0 H LYS A 36 4.556 8.814 2.634 1.00 0.00 H new ATOM 0 HA LYS A 36 3.663 10.162 0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.090 10.514 2.003 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.449 11.722 0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.907 12.396 2.450 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.303 10.762 2.634 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.164 10.996 4.771 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.646 10.481 3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.582 12.640 4.033 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.030 13.435 3.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.407 13.725 6.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.551 12.259 6.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.244 12.257 6.279 1.00 0.00 H new ATOM 601 N ARG A 37 6.078 8.060 0.060 1.00 0.00 N ATOM 602 CA ARG A 37 7.062 7.435 -0.874 1.00 0.00 C ATOM 603 C ARG A 37 6.343 6.795 -2.053 1.00 0.00 C ATOM 604 O ARG A 37 6.919 6.565 -3.097 1.00 0.00 O ATOM 605 CB ARG A 37 7.775 6.371 -0.045 1.00 0.00 C ATOM 606 CG ARG A 37 8.962 7.004 0.678 1.00 0.00 C ATOM 607 CD ARG A 37 10.257 6.330 0.220 1.00 0.00 C ATOM 608 NE ARG A 37 11.294 7.395 0.309 1.00 0.00 N ATOM 609 CZ ARG A 37 12.559 7.082 0.235 1.00 0.00 C ATOM 610 NH1 ARG A 37 13.169 6.576 1.273 1.00 0.00 N ATOM 611 NH2 ARG A 37 13.216 7.275 -0.877 1.00 0.00 N ATOM 0 H ARG A 37 5.916 7.549 0.928 1.00 0.00 H new ATOM 0 HA ARG A 37 7.757 8.167 -1.286 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.085 5.934 0.678 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.117 5.561 -0.689 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.002 8.073 0.468 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.845 6.895 1.756 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.507 5.481 0.856 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.167 5.950 -0.798 1.00 0.00 H new ATOM 0 HE ARG A 37 11.016 8.369 0.428 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.657 6.425 2.142 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.158 6.332 1.215 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.741 7.671 -1.688 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.205 7.030 -0.934 1.00 0.00 H new ATOM 625 N VAL A 38 5.088 6.523 -1.902 1.00 0.00 N ATOM 626 CA VAL A 38 4.318 5.913 -3.026 1.00 0.00 C ATOM 627 C VAL A 38 3.362 6.947 -3.618 1.00 0.00 C ATOM 628 O VAL A 38 2.730 6.719 -4.631 1.00 0.00 O ATOM 629 CB VAL A 38 3.544 4.733 -2.419 1.00 0.00 C ATOM 630 CG1 VAL A 38 4.389 3.462 -2.527 1.00 0.00 C ATOM 631 CG2 VAL A 38 3.231 5.007 -0.947 1.00 0.00 C ATOM 0 H VAL A 38 4.553 6.694 -1.051 1.00 0.00 H new ATOM 0 HA VAL A 38 4.969 5.576 -3.833 1.00 0.00 H new ATOM 0 HB VAL A 38 2.609 4.605 -2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.841 2.623 -2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.603 3.256 -3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.325 3.600 -1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.682 4.163 -0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.162 5.144 -0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.626 5.910 -0.866 1.00 0.00 H new ATOM 641 N GLY A 39 3.276 8.096 -3.010 1.00 0.00 N ATOM 642 CA GLY A 39 2.389 9.166 -3.548 1.00 0.00 C ATOM 643 C GLY A 39 0.991 9.060 -2.928 1.00 0.00 C ATOM 644 O GLY A 39 -0.007 9.247 -3.597 1.00 0.00 O ATOM 0 H GLY A 39 3.784 8.342 -2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.817 10.145 -3.332 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.321 9.080 -4.632 1.00 0.00 H new ATOM 648 N LEU A 40 0.905 8.782 -1.655 1.00 0.00 N ATOM 649 CA LEU A 40 -0.438 8.691 -1.003 1.00 0.00 C ATOM 650 C LEU A 40 -0.344 9.041 0.473 1.00 0.00 C ATOM 651 O LEU A 40 0.705 8.951 1.079 1.00 0.00 O ATOM 652 CB LEU A 40 -0.876 7.233 -1.150 1.00 0.00 C ATOM 653 CG LEU A 40 0.312 6.313 -0.900 1.00 0.00 C ATOM 654 CD1 LEU A 40 -0.049 5.283 0.178 1.00 0.00 C ATOM 655 CD2 LEU A 40 0.671 5.587 -2.194 1.00 0.00 C ATOM 0 H LEU A 40 1.701 8.614 -1.039 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.143 9.384 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.676 7.010 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.277 7.062 -2.149 1.00 0.00 H new ATOM 0 HG LEU A 40 1.163 6.905 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.803 4.627 0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.307 5.799 1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.901 4.690 -0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.521 4.928 -2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.182 4.997 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.931 6.317 -2.961 1.00 0.00 H new ATOM 667 N SER A 41 -1.442 9.384 1.070 1.00 0.00 N ATOM 668 CA SER A 41 -1.428 9.673 2.521 1.00 0.00 C ATOM 669 C SER A 41 -1.196 8.383 3.270 1.00 0.00 C ATOM 670 O SER A 41 -1.386 7.311 2.732 1.00 0.00 O ATOM 671 CB SER A 41 -2.808 10.231 2.839 1.00 0.00 C ATOM 672 OG SER A 41 -2.838 11.619 2.536 1.00 0.00 O ATOM 0 H SER A 41 -2.350 9.477 0.615 1.00 0.00 H new ATOM 0 HA SER A 41 -0.644 10.375 2.804 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.567 9.705 2.260 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.043 10.072 3.892 1.00 0.00 H new ATOM 0 HG SER A 41 -3.727 11.979 2.739 1.00 0.00 H new ATOM 678 N PRO A 42 -0.768 8.515 4.473 1.00 0.00 N ATOM 679 CA PRO A 42 -0.480 7.334 5.280 1.00 0.00 C ATOM 680 C PRO A 42 -1.778 6.655 5.717 1.00 0.00 C ATOM 681 O PRO A 42 -1.915 5.453 5.621 1.00 0.00 O ATOM 682 CB PRO A 42 0.292 7.884 6.466 1.00 0.00 C ATOM 683 CG PRO A 42 -0.132 9.317 6.578 1.00 0.00 C ATOM 684 CD PRO A 42 -0.517 9.767 5.191 1.00 0.00 C ATOM 0 HA PRO A 42 0.084 6.572 4.742 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.061 7.332 7.377 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.367 7.802 6.308 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.972 9.419 7.265 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.678 9.930 6.972 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.402 10.402 5.208 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.280 10.344 4.722 1.00 0.00 H new ATOM 692 N THR A 43 -2.740 7.414 6.177 1.00 0.00 N ATOM 693 CA THR A 43 -4.034 6.797 6.599 1.00 0.00 C ATOM 694 C THR A 43 -4.393 5.642 5.652 1.00 0.00 C ATOM 695 O THR A 43 -4.544 4.515 6.080 1.00 0.00 O ATOM 696 CB THR A 43 -5.064 7.933 6.506 1.00 0.00 C ATOM 697 OG1 THR A 43 -5.189 8.558 7.775 1.00 0.00 O ATOM 698 CG2 THR A 43 -6.426 7.374 6.079 1.00 0.00 C ATOM 0 H THR A 43 -2.687 8.428 6.278 1.00 0.00 H new ATOM 0 HA THR A 43 -3.994 6.377 7.604 1.00 0.00 H new ATOM 0 HB THR A 43 -4.729 8.660 5.766 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.844 9.285 7.719 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.149 8.187 6.016 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.333 6.894 5.105 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.765 6.643 6.812 1.00 0.00 H new ATOM 706 N PRO A 44 -4.494 5.962 4.387 1.00 0.00 N ATOM 707 CA PRO A 44 -4.807 4.937 3.372 1.00 0.00 C ATOM 708 C PRO A 44 -3.569 4.092 3.079 1.00 0.00 C ATOM 709 O PRO A 44 -3.651 2.888 2.959 1.00 0.00 O ATOM 710 CB PRO A 44 -5.205 5.749 2.147 1.00 0.00 C ATOM 711 CG PRO A 44 -4.517 7.071 2.315 1.00 0.00 C ATOM 712 CD PRO A 44 -4.338 7.297 3.801 1.00 0.00 C ATOM 0 HA PRO A 44 -5.588 4.245 3.689 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.891 5.255 1.227 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.287 5.872 2.090 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.553 7.070 1.807 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.109 7.872 1.873 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.358 7.719 4.025 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.081 7.993 4.191 1.00 0.00 H new ATOM 720 N CYS A 45 -2.411 4.707 2.979 1.00 0.00 N ATOM 721 CA CYS A 45 -1.179 3.905 2.719 1.00 0.00 C ATOM 722 C CYS A 45 -1.261 2.620 3.514 1.00 0.00 C ATOM 723 O CYS A 45 -1.182 1.533 2.976 1.00 0.00 O ATOM 724 CB CYS A 45 -0.020 4.762 3.215 1.00 0.00 C ATOM 725 SG CYS A 45 1.538 3.886 2.923 1.00 0.00 S ATOM 0 H CYS A 45 -2.271 5.714 3.065 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.057 3.648 1.667 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.014 5.721 2.697 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.138 4.974 4.278 1.00 0.00 H new ATOM 0 HG CYS A 45 1.968 3.381 4.041 1.00 0.00 H new ATOM 731 N LEU A 46 -1.492 2.731 4.788 1.00 0.00 N ATOM 732 CA LEU A 46 -1.663 1.519 5.608 1.00 0.00 C ATOM 733 C LEU A 46 -2.725 0.653 4.962 1.00 0.00 C ATOM 734 O LEU A 46 -2.510 -0.499 4.671 1.00 0.00 O ATOM 735 CB LEU A 46 -2.130 2.031 6.965 1.00 0.00 C ATOM 736 CG LEU A 46 -1.053 2.940 7.551 1.00 0.00 C ATOM 737 CD1 LEU A 46 -1.644 4.318 7.849 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.512 2.326 8.843 1.00 0.00 C ATOM 0 H LEU A 46 -1.569 3.614 5.293 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.756 0.922 5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.067 2.578 6.859 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.323 1.195 7.637 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.242 3.045 6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.871 4.963 8.267 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.024 4.758 6.927 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.459 4.217 8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.257 2.976 9.261 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.324 2.217 9.562 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.083 1.347 8.629 1.00 0.00 H new ATOM 750 N GLU A 47 -3.863 1.222 4.681 1.00 0.00 N ATOM 751 CA GLU A 47 -4.926 0.445 4.002 1.00 0.00 C ATOM 752 C GLU A 47 -4.303 -0.390 2.880 1.00 0.00 C ATOM 753 O GLU A 47 -4.605 -1.556 2.712 1.00 0.00 O ATOM 754 CB GLU A 47 -5.878 1.493 3.429 1.00 0.00 C ATOM 755 CG GLU A 47 -7.271 1.292 4.023 1.00 0.00 C ATOM 756 CD GLU A 47 -8.150 0.549 3.016 1.00 0.00 C ATOM 757 OE1 GLU A 47 -8.332 1.065 1.926 1.00 0.00 O ATOM 758 OE2 GLU A 47 -8.625 -0.522 3.354 1.00 0.00 O ATOM 0 H GLU A 47 -4.099 2.191 4.893 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.443 -0.241 4.672 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.514 2.495 3.658 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.918 1.409 2.343 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.204 0.725 4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.716 2.256 4.269 1.00 0.00 H new ATOM 765 N ARG A 48 -3.404 0.198 2.128 1.00 0.00 N ATOM 766 CA ARG A 48 -2.730 -0.559 1.036 1.00 0.00 C ATOM 767 C ARG A 48 -1.746 -1.565 1.643 1.00 0.00 C ATOM 768 O ARG A 48 -1.838 -2.760 1.417 1.00 0.00 O ATOM 769 CB ARG A 48 -1.991 0.503 0.214 1.00 0.00 C ATOM 770 CG ARG A 48 -3.015 1.371 -0.522 1.00 0.00 C ATOM 771 CD ARG A 48 -2.879 2.823 -0.064 1.00 0.00 C ATOM 772 NE ARG A 48 -3.694 3.607 -1.034 1.00 0.00 N ATOM 773 CZ ARG A 48 -4.940 3.281 -1.248 1.00 0.00 C ATOM 774 NH1 ARG A 48 -5.709 2.952 -0.248 1.00 0.00 N ATOM 775 NH2 ARG A 48 -5.416 3.283 -2.463 1.00 0.00 N ATOM 0 H ARG A 48 -3.110 1.170 2.226 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.428 -1.125 0.420 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.374 1.121 0.866 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.320 0.026 -0.500 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.858 1.302 -1.598 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.024 1.009 -0.323 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.244 2.952 0.955 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.837 3.144 -0.072 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.280 4.396 -1.530 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.337 2.949 0.702 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.682 2.697 -0.415 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.815 3.539 -3.246 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.389 3.028 -2.630 1.00 0.00 H new ATOM 789 N VAL A 49 -0.825 -1.099 2.442 1.00 0.00 N ATOM 790 CA VAL A 49 0.134 -2.035 3.090 1.00 0.00 C ATOM 791 C VAL A 49 -0.644 -3.115 3.845 1.00 0.00 C ATOM 792 O VAL A 49 -0.395 -4.294 3.693 1.00 0.00 O ATOM 793 CB VAL A 49 0.945 -1.164 4.058 1.00 0.00 C ATOM 794 CG1 VAL A 49 1.301 -1.973 5.311 1.00 0.00 C ATOM 795 CG2 VAL A 49 2.232 -0.708 3.371 1.00 0.00 C ATOM 0 H VAL A 49 -0.696 -0.114 2.673 1.00 0.00 H new ATOM 0 HA VAL A 49 0.781 -2.544 2.376 1.00 0.00 H new ATOM 0 HB VAL A 49 0.351 -0.296 4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.877 -1.350 5.995 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.386 -2.303 5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.893 -2.843 5.026 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.811 -0.089 4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.820 -1.580 3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.984 -0.130 2.481 1.00 0.00 H new ATOM 805 N ARG A 50 -1.601 -2.722 4.638 1.00 0.00 N ATOM 806 CA ARG A 50 -2.412 -3.724 5.378 1.00 0.00 C ATOM 807 C ARG A 50 -2.768 -4.871 4.447 1.00 0.00 C ATOM 808 O ARG A 50 -2.512 -6.023 4.736 1.00 0.00 O ATOM 809 CB ARG A 50 -3.672 -2.976 5.818 1.00 0.00 C ATOM 810 CG ARG A 50 -3.280 -1.776 6.683 1.00 0.00 C ATOM 811 CD ARG A 50 -3.438 -2.138 8.158 1.00 0.00 C ATOM 812 NE ARG A 50 -3.821 -0.865 8.827 1.00 0.00 N ATOM 813 CZ ARG A 50 -4.430 -0.893 9.981 1.00 0.00 C ATOM 814 NH1 ARG A 50 -3.736 -0.967 11.083 1.00 0.00 N ATOM 815 NH2 ARG A 50 -5.733 -0.850 10.033 1.00 0.00 N ATOM 0 H ARG A 50 -1.856 -1.749 4.805 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.881 -4.147 6.231 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.232 -2.641 4.945 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.326 -3.643 6.379 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.249 -1.487 6.477 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.907 -0.918 6.439 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.202 -2.903 8.297 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.510 -2.536 8.568 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.608 0.029 8.384 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.717 -1.003 11.043 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.212 -0.989 11.985 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.276 -0.794 9.171 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.208 -0.872 10.935 1.00 0.00 H new ATOM 829 N ARG A 51 -3.321 -4.563 3.311 1.00 0.00 N ATOM 830 CA ARG A 51 -3.653 -5.637 2.339 1.00 0.00 C ATOM 831 C ARG A 51 -2.454 -6.565 2.200 1.00 0.00 C ATOM 832 O ARG A 51 -2.586 -7.773 2.167 1.00 0.00 O ATOM 833 CB ARG A 51 -3.931 -4.916 1.018 1.00 0.00 C ATOM 834 CG ARG A 51 -4.039 -5.945 -0.112 1.00 0.00 C ATOM 835 CD ARG A 51 -2.652 -6.195 -0.711 1.00 0.00 C ATOM 836 NE ARG A 51 -2.736 -5.679 -2.107 1.00 0.00 N ATOM 837 CZ ARG A 51 -3.284 -6.409 -3.042 1.00 0.00 C ATOM 838 NH1 ARG A 51 -3.079 -7.697 -3.069 1.00 0.00 N ATOM 839 NH2 ARG A 51 -4.032 -5.848 -3.953 1.00 0.00 N ATOM 0 H ARG A 51 -3.557 -3.616 3.013 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.507 -6.239 2.648 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.855 -4.343 1.092 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.132 -4.207 0.803 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.455 -6.877 0.270 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.720 -5.584 -0.883 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.878 -5.677 -0.145 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.401 -7.256 -0.697 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.366 -4.756 -2.332 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.491 -8.135 -2.360 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.507 -8.266 -3.799 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.188 -4.840 -3.935 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.460 -6.417 -4.683 1.00 0.00 H new ATOM 853 N LEU A 52 -1.273 -6.006 2.148 1.00 0.00 N ATOM 854 CA LEU A 52 -0.055 -6.853 2.046 1.00 0.00 C ATOM 855 C LEU A 52 0.141 -7.634 3.347 1.00 0.00 C ATOM 856 O LEU A 52 0.696 -8.714 3.360 1.00 0.00 O ATOM 857 CB LEU A 52 1.099 -5.872 1.835 1.00 0.00 C ATOM 858 CG LEU A 52 0.869 -5.080 0.548 1.00 0.00 C ATOM 859 CD1 LEU A 52 1.983 -4.048 0.382 1.00 0.00 C ATOM 860 CD2 LEU A 52 0.877 -6.037 -0.646 1.00 0.00 C ATOM 0 H LEU A 52 -1.103 -5.001 2.172 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.121 -7.580 1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.172 -5.192 2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.044 -6.413 1.777 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.094 -4.571 0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.821 -3.482 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.979 -3.368 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.945 -4.557 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.713 -5.474 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.840 -6.545 -0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.084 -6.775 -0.526 1.00 0.00 H new ATOM 872 N GLU A 53 -0.322 -7.093 4.444 1.00 0.00 N ATOM 873 CA GLU A 53 -0.174 -7.799 5.750 1.00 0.00 C ATOM 874 C GLU A 53 -0.973 -9.102 5.738 1.00 0.00 C ATOM 875 O GLU A 53 -0.422 -10.181 5.830 1.00 0.00 O ATOM 876 CB GLU A 53 -0.748 -6.831 6.787 1.00 0.00 C ATOM 877 CG GLU A 53 0.331 -6.476 7.812 1.00 0.00 C ATOM 878 CD GLU A 53 0.979 -7.759 8.338 1.00 0.00 C ATOM 879 OE1 GLU A 53 0.248 -8.639 8.762 1.00 0.00 O ATOM 880 OE2 GLU A 53 2.197 -7.837 8.311 1.00 0.00 O ATOM 0 H GLU A 53 -0.797 -6.191 4.491 1.00 0.00 H new ATOM 0 HA GLU A 53 0.862 -8.062 5.964 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.108 -5.927 6.295 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.604 -7.284 7.287 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.086 -5.836 7.354 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.107 -5.913 8.636 1.00 0.00 H new ATOM 887 N ARG A 54 -2.269 -9.011 5.619 1.00 0.00 N ATOM 888 CA ARG A 54 -3.105 -10.245 5.593 1.00 0.00 C ATOM 889 C ARG A 54 -2.547 -11.238 4.572 1.00 0.00 C ATOM 890 O ARG A 54 -2.722 -12.433 4.692 1.00 0.00 O ATOM 891 CB ARG A 54 -4.495 -9.771 5.170 1.00 0.00 C ATOM 892 CG ARG A 54 -5.195 -9.112 6.358 1.00 0.00 C ATOM 893 CD ARG A 54 -6.711 -9.281 6.215 1.00 0.00 C ATOM 894 NE ARG A 54 -7.048 -10.451 7.069 1.00 0.00 N ATOM 895 CZ ARG A 54 -8.295 -10.729 7.332 1.00 0.00 C ATOM 896 NH1 ARG A 54 -9.152 -10.869 6.358 1.00 0.00 N ATOM 897 NH2 ARG A 54 -8.686 -10.867 8.569 1.00 0.00 N ATOM 0 H ARG A 54 -2.786 -8.135 5.539 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.122 -10.753 6.557 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.414 -9.064 4.345 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.084 -10.614 4.810 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.854 -9.563 7.290 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.939 -8.053 6.403 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.241 -8.387 6.543 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.993 -9.456 5.177 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.304 -11.036 7.449 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.847 -10.761 5.391 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.127 -11.086 6.564 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.017 -10.757 9.331 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.661 -11.084 8.774 1.00 0.00 H new ATOM 911 N GLN A 55 -1.877 -10.749 3.564 1.00 0.00 N ATOM 912 CA GLN A 55 -1.311 -11.663 2.530 1.00 0.00 C ATOM 913 C GLN A 55 0.037 -12.221 2.996 1.00 0.00 C ATOM 914 O GLN A 55 0.720 -12.911 2.265 1.00 0.00 O ATOM 915 CB GLN A 55 -1.128 -10.790 1.289 1.00 0.00 C ATOM 916 CG GLN A 55 -2.498 -10.419 0.716 1.00 0.00 C ATOM 917 CD GLN A 55 -3.145 -11.657 0.092 1.00 0.00 C ATOM 918 OE1 GLN A 55 -2.717 -12.768 0.335 1.00 0.00 O ATOM 919 NE2 GLN A 55 -4.167 -11.512 -0.707 1.00 0.00 N ATOM 0 H GLN A 55 -1.697 -9.757 3.411 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.958 -12.518 2.336 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.573 -9.887 1.545 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.542 -11.323 0.540 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.137 -10.020 1.504 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.390 -9.636 -0.034 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.526 -10.580 -0.911 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.606 -12.331 -1.127 1.00 0.00 H new ATOM 928 N GLY A 56 0.424 -11.931 4.208 1.00 0.00 N ATOM 929 CA GLY A 56 1.728 -12.447 4.719 1.00 0.00 C ATOM 930 C GLY A 56 2.875 -11.821 3.924 1.00 0.00 C ATOM 931 O GLY A 56 3.655 -12.509 3.294 1.00 0.00 O ATOM 0 H GLY A 56 -0.105 -11.360 4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.834 -12.210 5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.761 -13.533 4.630 1.00 0.00 H new ATOM 935 N PHE A 57 2.988 -10.521 3.948 1.00 0.00 N ATOM 936 CA PHE A 57 4.087 -9.852 3.193 1.00 0.00 C ATOM 937 C PHE A 57 4.557 -8.599 3.935 1.00 0.00 C ATOM 938 O PHE A 57 5.302 -7.796 3.409 1.00 0.00 O ATOM 939 CB PHE A 57 3.468 -9.474 1.849 1.00 0.00 C ATOM 940 CG PHE A 57 4.140 -10.255 0.747 1.00 0.00 C ATOM 941 CD1 PHE A 57 3.850 -11.614 0.575 1.00 0.00 C ATOM 942 CD2 PHE A 57 5.054 -9.623 -0.103 1.00 0.00 C ATOM 943 CE1 PHE A 57 4.474 -12.339 -0.447 1.00 0.00 C ATOM 944 CE2 PHE A 57 5.678 -10.349 -1.126 1.00 0.00 C ATOM 945 CZ PHE A 57 5.387 -11.707 -1.297 1.00 0.00 C ATOM 0 H PHE A 57 2.367 -9.893 4.458 1.00 0.00 H new ATOM 0 HA PHE A 57 4.958 -10.497 3.077 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.398 -9.684 1.858 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.582 -8.404 1.672 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.145 -12.103 1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 57 5.279 -8.575 0.029 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.250 -13.387 -0.579 1.00 0.00 H new ATOM 0 HE2 PHE A 57 6.383 -9.861 -1.782 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.868 -12.267 -2.086 1.00 0.00 H new ATOM 955 N ILE A 58 4.124 -8.424 5.153 1.00 0.00 N ATOM 956 CA ILE A 58 4.540 -7.220 5.927 1.00 0.00 C ATOM 957 C ILE A 58 4.808 -7.593 7.382 1.00 0.00 C ATOM 958 O ILE A 58 4.608 -6.805 8.284 1.00 0.00 O ATOM 959 CB ILE A 58 3.360 -6.256 5.821 1.00 0.00 C ATOM 960 CG1 ILE A 58 2.830 -6.253 4.385 1.00 0.00 C ATOM 961 CG2 ILE A 58 3.823 -4.848 6.187 1.00 0.00 C ATOM 962 CD1 ILE A 58 3.891 -5.664 3.451 1.00 0.00 C ATOM 0 H ILE A 58 3.500 -9.063 5.646 1.00 0.00 H new ATOM 0 HA ILE A 58 5.460 -6.778 5.544 1.00 0.00 H new ATOM 0 HB ILE A 58 2.570 -6.573 6.502 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.581 -7.268 4.076 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.912 -5.668 4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.983 -4.158 6.112 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.206 -4.845 7.208 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.612 -4.535 5.503 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.514 -5.662 2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.118 -4.643 3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.797 -6.268 3.503 1.00 0.00 H new ATOM 974 N GLN A 59 5.283 -8.784 7.616 1.00 0.00 N ATOM 975 CA GLN A 59 5.590 -9.202 9.013 1.00 0.00 C ATOM 976 C GLN A 59 7.013 -8.777 9.377 1.00 0.00 C ATOM 977 O GLN A 59 7.457 -8.940 10.497 1.00 0.00 O ATOM 978 CB GLN A 59 5.468 -10.727 9.008 1.00 0.00 C ATOM 979 CG GLN A 59 6.288 -11.302 7.852 1.00 0.00 C ATOM 980 CD GLN A 59 7.055 -12.534 8.334 1.00 0.00 C ATOM 981 OE1 GLN A 59 7.113 -13.534 7.648 1.00 0.00 O ATOM 982 NE2 GLN A 59 7.650 -12.503 9.495 1.00 0.00 N ATOM 0 H GLN A 59 5.472 -9.486 6.901 1.00 0.00 H new ATOM 0 HA GLN A 59 4.920 -8.747 9.743 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.821 -11.134 9.956 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.423 -11.018 8.906 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.631 -11.570 7.024 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.983 -10.551 7.477 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.601 -11.663 10.071 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.164 -13.319 9.827 1.00 0.00 H new ATOM 991 N GLY A 60 7.725 -8.225 8.436 1.00 0.00 N ATOM 992 CA GLY A 60 9.117 -7.773 8.714 1.00 0.00 C ATOM 993 C GLY A 60 9.277 -6.331 8.234 1.00 0.00 C ATOM 994 O GLY A 60 9.878 -5.508 8.895 1.00 0.00 O ATOM 0 H GLY A 60 7.402 -8.066 7.482 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.329 -7.840 9.781 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.832 -8.420 8.206 1.00 0.00 H new ATOM 998 N TYR A 61 8.730 -6.016 7.090 1.00 0.00 N ATOM 999 CA TYR A 61 8.834 -4.624 6.568 1.00 0.00 C ATOM 1000 C TYR A 61 8.164 -3.650 7.536 1.00 0.00 C ATOM 1001 O TYR A 61 8.596 -3.492 8.660 1.00 0.00 O ATOM 1002 CB TYR A 61 8.100 -4.658 5.232 1.00 0.00 C ATOM 1003 CG TYR A 61 8.634 -5.797 4.396 1.00 0.00 C ATOM 1004 CD1 TYR A 61 9.989 -6.145 4.473 1.00 0.00 C ATOM 1005 CD2 TYR A 61 7.776 -6.508 3.550 1.00 0.00 C ATOM 1006 CE1 TYR A 61 10.484 -7.203 3.701 1.00 0.00 C ATOM 1007 CE2 TYR A 61 8.272 -7.566 2.778 1.00 0.00 C ATOM 1008 CZ TYR A 61 9.626 -7.913 2.853 1.00 0.00 C ATOM 1009 OH TYR A 61 10.115 -8.956 2.093 1.00 0.00 O ATOM 0 H TYR A 61 8.215 -6.664 6.494 1.00 0.00 H new ATOM 0 HA TYR A 61 9.866 -4.291 6.456 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.030 -4.783 5.396 1.00 0.00 H new ATOM 0 HB3 TYR A 61 8.234 -3.712 4.707 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.651 -5.598 5.127 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.731 -6.241 3.492 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.528 -7.471 3.760 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.610 -8.114 2.125 1.00 0.00 H new ATOM 0 HH TYR A 61 9.388 -9.342 1.561 1.00 0.00 H new ATOM 1019 N THR A 62 7.105 -3.006 7.126 1.00 0.00 N ATOM 1020 CA THR A 62 6.422 -2.064 8.051 1.00 0.00 C ATOM 1021 C THR A 62 5.488 -2.831 8.975 1.00 0.00 C ATOM 1022 O THR A 62 4.533 -2.289 9.493 1.00 0.00 O ATOM 1023 CB THR A 62 5.630 -1.110 7.156 1.00 0.00 C ATOM 1024 OG1 THR A 62 5.393 0.104 7.853 1.00 0.00 O ATOM 1025 CG2 THR A 62 4.290 -1.745 6.769 1.00 0.00 C ATOM 0 H THR A 62 6.688 -3.091 6.199 1.00 0.00 H new ATOM 0 HA THR A 62 7.128 -1.524 8.682 1.00 0.00 H new ATOM 0 HB THR A 62 6.205 -0.909 6.252 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.803 0.848 7.364 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.733 -1.059 6.132 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.470 -2.675 6.230 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.713 -1.954 7.670 1.00 0.00 H new ATOM 1033 N ALA A 63 5.750 -4.092 9.183 1.00 0.00 N ATOM 1034 CA ALA A 63 4.876 -4.890 10.078 1.00 0.00 C ATOM 1035 C ALA A 63 4.452 -4.028 11.269 1.00 0.00 C ATOM 1036 O ALA A 63 3.381 -4.188 11.820 1.00 0.00 O ATOM 1037 CB ALA A 63 5.742 -6.060 10.540 1.00 0.00 C ATOM 0 H ALA A 63 6.532 -4.601 8.771 1.00 0.00 H new ATOM 0 HA ALA A 63 3.968 -5.236 9.584 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.164 -6.699 11.208 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.064 -6.638 9.674 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.616 -5.679 11.068 1.00 0.00 H new ATOM 1043 N LEU A 64 5.285 -3.090 11.647 1.00 0.00 N ATOM 1044 CA LEU A 64 4.934 -2.188 12.776 1.00 0.00 C ATOM 1045 C LEU A 64 3.559 -1.583 12.544 1.00 0.00 C ATOM 1046 O LEU A 64 2.797 -1.360 13.464 1.00 0.00 O ATOM 1047 CB LEU A 64 6.010 -1.096 12.755 1.00 0.00 C ATOM 1048 CG LEU A 64 5.990 -0.369 11.404 1.00 0.00 C ATOM 1049 CD1 LEU A 64 5.023 0.816 11.476 1.00 0.00 C ATOM 1050 CD2 LEU A 64 7.395 0.142 11.080 1.00 0.00 C ATOM 0 H LEU A 64 6.194 -2.913 11.219 1.00 0.00 H new ATOM 0 HA LEU A 64 4.900 -2.709 13.733 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.835 -0.385 13.563 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.992 -1.537 12.926 1.00 0.00 H new ATOM 0 HG LEU A 64 5.664 -1.059 10.626 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.009 1.333 10.516 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.021 0.455 11.709 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.350 1.505 12.254 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.382 0.659 10.120 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.720 0.832 11.859 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.086 -0.700 11.029 1.00 0.00 H new ATOM 1062 N LEU A 65 3.236 -1.326 11.317 1.00 0.00 N ATOM 1063 CA LEU A 65 1.904 -0.741 10.996 1.00 0.00 C ATOM 1064 C LEU A 65 0.792 -1.749 11.308 1.00 0.00 C ATOM 1065 O LEU A 65 -0.381 -1.441 11.233 1.00 0.00 O ATOM 1066 CB LEU A 65 1.971 -0.410 9.486 1.00 0.00 C ATOM 1067 CG LEU A 65 1.432 -1.576 8.633 1.00 0.00 C ATOM 1068 CD1 LEU A 65 2.038 -2.901 9.104 1.00 0.00 C ATOM 1069 CD2 LEU A 65 -0.094 -1.640 8.744 1.00 0.00 C ATOM 0 H LEU A 65 3.838 -1.495 10.512 1.00 0.00 H new ATOM 0 HA LEU A 65 1.679 0.147 11.587 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.391 0.490 9.283 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.002 -0.196 9.204 1.00 0.00 H new ATOM 0 HG LEU A 65 1.712 -1.408 7.593 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.649 -3.716 8.494 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.123 -2.860 9.006 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.774 -3.071 10.148 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.468 -2.466 8.139 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.377 -1.795 9.785 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.524 -0.704 8.387 1.00 0.00 H new ATOM 1081 N ASN A 66 1.155 -2.948 11.671 1.00 0.00 N ATOM 1082 CA ASN A 66 0.126 -3.977 11.999 1.00 0.00 C ATOM 1083 C ASN A 66 -0.072 -4.062 13.515 1.00 0.00 C ATOM 1084 O ASN A 66 0.888 -4.374 14.201 1.00 0.00 O ATOM 1085 CB ASN A 66 0.697 -5.290 11.460 1.00 0.00 C ATOM 1086 CG ASN A 66 -0.450 -6.199 11.010 1.00 0.00 C ATOM 1087 OD1 ASN A 66 -1.424 -5.737 10.450 1.00 0.00 O ATOM 1088 ND2 ASN A 66 -0.376 -7.484 11.235 1.00 0.00 N ATOM 1089 OXT ASN A 66 -1.179 -3.812 13.963 1.00 0.00 O ATOM 0 H ASN A 66 2.122 -3.261 11.755 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.846 -3.744 11.564 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.367 -5.091 10.624 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.287 -5.786 12.231 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.135 -8.098 10.941 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.441 -7.873 11.705 1.00 0.00 H new TER 1096 ASN A 66