USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 667 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 59 SER OG : rot -34:sc= 0.674 USER MOD Set 1.2: A 74 CYS SG : rot -155:sc= 0.737 USER MOD Set 2.1: A 38 HIS : no HE2:sc= -2.37! C(o=-6.2!,f=-11!) USER MOD Set 2.2: A 54 MET CE :methyl -102:sc= -3.83! (180deg=-4.06!) USER MOD Set 3.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 65 GLN : amide:sc= -1.04 K(o=-1,f=-4!) USER MOD Set 4.1: A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 11 THR OG1 : rot -47:sc= 1.26 USER MOD Set 4.3: A 39 ASN : amide:sc= 0.2 K(o=1.5,f=-3.4) USER MOD Single : A 4 LYS NZ :NH3+ 139:sc= 1.66 (180deg=-1.17) USER MOD Single : A 6 SER OG : rot 180:sc= 0.141 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 77:sc= 0.964 USER MOD Single : A 20 GLN : amide:sc= -1.19 X(o=-1.2,f=-1.2) USER MOD Single : A 21 GLN : amide:sc= 0.41 K(o=0.41,f=-0.1) USER MOD Single : A 26 SER OG : rot 61:sc= 1.25 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0887 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 34 CYS SG : rot -160:sc= -0.31 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= 1.33 (180deg=1.19) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -165:sc= 0.821 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -144:sc= -0.262 (180deg=-1.39) USER MOD Single : A 71 ASN : amide:sc= 0.41 X(o=0.41,f=0) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.27) USER MOD Single : A 83 THR OG1 : rot -10:sc= 1.23 USER MOD Single : A 85 GLN :FLIP amide:sc= -1.15 F(o=-1.9,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 4 -16.727 -0.420 5.527 1.00 0.00 N ATOM 38 CA LYS A 4 -16.306 0.866 6.102 1.00 0.00 C ATOM 39 C LYS A 4 -16.199 1.966 5.043 1.00 0.00 C ATOM 40 O LYS A 4 -15.660 3.035 5.330 1.00 0.00 O ATOM 41 CB LYS A 4 -14.957 0.672 6.816 1.00 0.00 C ATOM 42 CG LYS A 4 -13.826 0.296 5.861 1.00 0.00 C ATOM 43 CD LYS A 4 -12.537 1.103 5.897 1.00 0.00 C ATOM 44 CE LYS A 4 -12.569 2.568 5.434 1.00 0.00 C ATOM 45 NZ LYS A 4 -13.089 3.477 6.475 1.00 0.00 N ATOM 0 HA LYS A 4 -17.065 1.190 6.814 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.693 1.591 7.339 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.061 -0.106 7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.568 -0.746 6.049 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -14.220 0.349 4.846 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.167 1.089 6.922 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.802 0.579 5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.563 2.879 5.153 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.189 2.650 4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.524 4.350 6.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.081 3.710 6.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.029 3.012 7.403 1.00 0.00 H new ATOM 59 N MET A 5 -16.565 1.654 3.802 1.00 0.00 N ATOM 60 CA MET A 5 -16.188 2.388 2.607 1.00 0.00 C ATOM 61 C MET A 5 -17.419 2.475 1.721 1.00 0.00 C ATOM 62 O MET A 5 -17.809 1.502 1.067 1.00 0.00 O ATOM 63 CB MET A 5 -14.922 1.787 1.976 1.00 0.00 C ATOM 64 CG MET A 5 -15.054 0.315 1.642 1.00 0.00 C ATOM 65 SD MET A 5 -13.625 -0.663 2.160 1.00 0.00 S ATOM 66 CE MET A 5 -14.383 -2.292 2.375 1.00 0.00 C ATOM 0 H MET A 5 -17.157 0.849 3.598 1.00 0.00 H new ATOM 0 HA MET A 5 -15.887 3.415 2.816 1.00 0.00 H new ATOM 0 HB2 MET A 5 -14.682 2.338 1.066 1.00 0.00 H new ATOM 0 HB3 MET A 5 -14.085 1.923 2.661 1.00 0.00 H new ATOM 0 HG2 MET A 5 -15.950 -0.081 2.121 1.00 0.00 H new ATOM 0 HG3 MET A 5 -15.192 0.204 0.566 1.00 0.00 H new ATOM 0 HE1 MET A 5 -13.625 -3.007 2.695 1.00 0.00 H new ATOM 0 HE2 MET A 5 -15.166 -2.232 3.131 1.00 0.00 H new ATOM 0 HE3 MET A 5 -14.815 -2.620 1.430 1.00 0.00 H new ATOM 76 N SER A 6 -18.123 3.590 1.861 1.00 0.00 N ATOM 77 CA SER A 6 -19.401 3.978 1.286 1.00 0.00 C ATOM 78 C SER A 6 -19.366 4.157 -0.239 1.00 0.00 C ATOM 79 O SER A 6 -19.598 5.224 -0.792 1.00 0.00 O ATOM 80 CB SER A 6 -19.946 5.125 2.136 1.00 0.00 C ATOM 81 OG SER A 6 -18.922 5.963 2.661 1.00 0.00 O ATOM 0 H SER A 6 -17.764 4.337 2.456 1.00 0.00 H new ATOM 0 HA SER A 6 -20.133 3.172 1.341 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.626 5.726 1.532 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.530 4.714 2.960 1.00 0.00 H new ATOM 0 HG SER A 6 -19.326 6.679 3.194 1.00 0.00 H new ATOM 87 N ASP A 7 -19.117 3.023 -0.888 1.00 0.00 N ATOM 88 CA ASP A 7 -18.999 2.714 -2.304 1.00 0.00 C ATOM 89 C ASP A 7 -17.617 3.101 -2.811 1.00 0.00 C ATOM 90 O ASP A 7 -17.110 4.179 -2.514 1.00 0.00 O ATOM 91 CB ASP A 7 -20.143 3.207 -3.186 1.00 0.00 C ATOM 92 CG ASP A 7 -19.809 4.389 -4.103 1.00 0.00 C ATOM 93 OD1 ASP A 7 -19.183 4.105 -5.150 1.00 0.00 O ATOM 94 OD2 ASP A 7 -20.312 5.511 -3.925 1.00 0.00 O ATOM 0 H ASP A 7 -18.972 2.173 -0.343 1.00 0.00 H new ATOM 0 HA ASP A 7 -19.105 1.633 -2.390 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -20.486 2.377 -3.803 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -20.976 3.492 -2.544 1.00 0.00 H new ATOM 99 N VAL A 8 -16.984 2.167 -3.516 1.00 0.00 N ATOM 100 CA VAL A 8 -15.631 2.289 -3.999 1.00 0.00 C ATOM 101 C VAL A 8 -15.589 1.607 -5.346 1.00 0.00 C ATOM 102 O VAL A 8 -15.505 0.388 -5.502 1.00 0.00 O ATOM 103 CB VAL A 8 -14.621 1.681 -3.014 1.00 0.00 C ATOM 104 CG1 VAL A 8 -13.182 1.884 -3.488 1.00 0.00 C ATOM 105 CG2 VAL A 8 -14.749 2.357 -1.659 1.00 0.00 C ATOM 0 H VAL A 8 -17.421 1.281 -3.769 1.00 0.00 H new ATOM 0 HA VAL A 8 -15.346 3.337 -4.094 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.840 0.615 -2.949 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.495 1.441 -2.767 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.047 1.405 -4.458 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.976 2.950 -3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -14.030 1.921 -0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -14.551 3.424 -1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.758 2.212 -1.274 1.00 0.00 H new ATOM 115 N LYS A 9 -15.619 2.464 -6.344 1.00 0.00 N ATOM 116 CA LYS A 9 -15.593 2.094 -7.758 1.00 0.00 C ATOM 117 C LYS A 9 -14.192 1.691 -8.224 1.00 0.00 C ATOM 118 O LYS A 9 -13.949 1.633 -9.427 1.00 0.00 O ATOM 119 CB LYS A 9 -16.199 3.264 -8.555 1.00 0.00 C ATOM 120 CG LYS A 9 -17.676 3.425 -8.160 1.00 0.00 C ATOM 121 CD LYS A 9 -18.586 2.424 -8.890 1.00 0.00 C ATOM 122 CE LYS A 9 -19.749 2.055 -7.968 1.00 0.00 C ATOM 123 NZ LYS A 9 -20.825 1.332 -8.673 1.00 0.00 N ATOM 0 H LYS A 9 -15.664 3.472 -6.197 1.00 0.00 H new ATOM 0 HA LYS A 9 -16.194 1.201 -7.931 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -15.652 4.184 -8.349 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -16.114 3.075 -9.625 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.779 3.289 -7.083 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -18.002 4.440 -8.385 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -18.962 2.860 -9.816 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -18.023 1.532 -9.164 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -19.377 1.438 -7.150 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -20.157 2.963 -7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -21.588 1.106 -8.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -21.201 1.928 -9.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -20.446 0.451 -9.076 1.00 0.00 H new ATOM 137 N CYS A 10 -13.278 1.412 -7.296 1.00 0.00 N ATOM 138 CA CYS A 10 -11.861 1.249 -7.528 1.00 0.00 C ATOM 139 C CYS A 10 -11.356 0.029 -6.797 1.00 0.00 C ATOM 140 O CYS A 10 -11.242 -1.020 -7.428 1.00 0.00 O ATOM 141 CB CYS A 10 -11.139 2.553 -7.145 1.00 0.00 C ATOM 142 SG CYS A 10 -11.431 3.843 -8.386 1.00 0.00 S ATOM 0 H CYS A 10 -13.528 1.289 -6.315 1.00 0.00 H new ATOM 0 HA CYS A 10 -11.652 1.070 -8.583 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -11.489 2.894 -6.171 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.069 2.367 -7.053 1.00 0.00 H new ATOM 0 HG CYS A 10 -10.812 4.931 -8.035 1.00 0.00 H new ATOM 148 N THR A 11 -11.062 0.132 -5.503 1.00 0.00 N ATOM 149 CA THR A 11 -10.685 -1.027 -4.719 1.00 0.00 C ATOM 150 C THR A 11 -9.356 -1.596 -5.248 1.00 0.00 C ATOM 151 O THR A 11 -8.319 -0.963 -5.008 1.00 0.00 O ATOM 152 CB THR A 11 -11.930 -1.940 -4.652 1.00 0.00 C ATOM 153 OG1 THR A 11 -12.949 -1.283 -3.934 1.00 0.00 O ATOM 154 CG2 THR A 11 -11.710 -3.331 -4.117 1.00 0.00 C ATOM 0 H THR A 11 -11.079 1.008 -4.981 1.00 0.00 H new ATOM 0 HA THR A 11 -10.434 -0.828 -3.677 1.00 0.00 H new ATOM 0 HB THR A 11 -12.219 -2.109 -5.689 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.579 -0.912 -3.106 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.655 -3.875 -4.119 1.00 0.00 H new ATOM 0 HG22 THR A 11 -10.989 -3.853 -4.746 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.327 -3.273 -3.098 1.00 0.00 H new ATOM 162 N SER A 12 -9.319 -2.703 -6.002 1.00 0.00 N ATOM 163 CA SER A 12 -8.057 -3.323 -6.378 1.00 0.00 C ATOM 164 C SER A 12 -7.512 -2.750 -7.693 1.00 0.00 C ATOM 165 O SER A 12 -6.792 -3.448 -8.394 1.00 0.00 O ATOM 166 CB SER A 12 -8.181 -4.858 -6.357 1.00 0.00 C ATOM 167 OG SER A 12 -9.036 -5.358 -7.359 1.00 0.00 O ATOM 0 H SER A 12 -10.147 -3.180 -6.358 1.00 0.00 H new ATOM 0 HA SER A 12 -7.302 -3.072 -5.633 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.191 -5.298 -6.480 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.551 -5.173 -5.381 1.00 0.00 H new ATOM 0 HG SER A 12 -9.075 -6.335 -7.298 1.00 0.00 H new ATOM 173 N VAL A 13 -7.652 -1.441 -7.934 1.00 0.00 N ATOM 174 CA VAL A 13 -7.129 -0.788 -9.142 1.00 0.00 C ATOM 175 C VAL A 13 -5.930 0.102 -8.795 1.00 0.00 C ATOM 176 O VAL A 13 -4.847 -0.100 -9.344 1.00 0.00 O ATOM 177 CB VAL A 13 -8.271 -0.067 -9.895 1.00 0.00 C ATOM 178 CG1 VAL A 13 -9.417 -1.017 -10.230 1.00 0.00 C ATOM 179 CG2 VAL A 13 -8.854 1.132 -9.149 1.00 0.00 C ATOM 0 H VAL A 13 -8.131 -0.804 -7.298 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.742 -1.534 -9.837 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.796 0.299 -10.805 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.199 -0.472 -10.759 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.047 -1.825 -10.862 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.825 -1.434 -9.309 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.649 1.580 -9.745 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.260 0.803 -8.192 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.070 1.869 -8.976 1.00 0.00 H new ATOM 189 N VAL A 14 -6.089 1.014 -7.826 1.00 0.00 N ATOM 190 CA VAL A 14 -5.147 2.072 -7.505 1.00 0.00 C ATOM 191 C VAL A 14 -3.780 1.486 -7.176 1.00 0.00 C ATOM 192 O VAL A 14 -2.806 1.759 -7.862 1.00 0.00 O ATOM 193 CB VAL A 14 -5.752 2.897 -6.352 1.00 0.00 C ATOM 194 CG1 VAL A 14 -4.743 3.842 -5.710 1.00 0.00 C ATOM 195 CG2 VAL A 14 -6.960 3.701 -6.846 1.00 0.00 C ATOM 0 H VAL A 14 -6.914 1.027 -7.226 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.983 2.734 -8.356 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.064 2.182 -5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.225 4.397 -4.905 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.911 3.266 -5.306 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.371 4.540 -6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.376 4.278 -6.020 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.646 4.379 -7.640 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.719 3.019 -7.230 1.00 0.00 H new ATOM 205 N LEU A 15 -3.702 0.642 -6.148 1.00 0.00 N ATOM 206 CA LEU A 15 -2.434 0.095 -5.685 1.00 0.00 C ATOM 207 C LEU A 15 -1.809 -0.766 -6.780 1.00 0.00 C ATOM 208 O LEU A 15 -0.594 -0.752 -6.978 1.00 0.00 O ATOM 209 CB LEU A 15 -2.676 -0.624 -4.348 1.00 0.00 C ATOM 210 CG LEU A 15 -1.446 -1.103 -3.584 1.00 0.00 C ATOM 211 CD1 LEU A 15 -1.777 -1.648 -2.194 1.00 0.00 C ATOM 212 CD2 LEU A 15 -0.655 -2.130 -4.373 1.00 0.00 C ATOM 0 H LEU A 15 -4.512 0.322 -5.618 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.698 0.875 -5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.237 0.049 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.313 -1.488 -4.539 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.827 -0.216 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.860 -1.972 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.250 -0.866 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.457 -2.495 -2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.213 -2.445 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.286 -2.994 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.323 -1.690 -5.313 1.00 0.00 H new ATOM 224 N LEU A 16 -2.648 -1.480 -7.527 1.00 0.00 N ATOM 225 CA LEU A 16 -2.240 -2.318 -8.639 1.00 0.00 C ATOM 226 C LEU A 16 -1.637 -1.474 -9.776 1.00 0.00 C ATOM 227 O LEU A 16 -0.861 -1.989 -10.572 1.00 0.00 O ATOM 228 CB LEU A 16 -3.386 -3.259 -9.075 1.00 0.00 C ATOM 229 CG LEU A 16 -3.208 -4.731 -8.628 1.00 0.00 C ATOM 230 CD1 LEU A 16 -3.154 -4.913 -7.089 1.00 0.00 C ATOM 231 CD2 LEU A 16 -4.372 -5.588 -9.127 1.00 0.00 C ATOM 0 H LEU A 16 -3.655 -1.488 -7.367 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.435 -2.978 -8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.325 -2.880 -8.671 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.471 -3.229 -10.161 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.254 -5.040 -9.056 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.028 -5.969 -6.852 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.314 -4.348 -6.685 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.082 -4.550 -6.647 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.230 -6.619 -8.803 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.307 -5.205 -8.718 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.410 -5.551 -10.216 1.00 0.00 H new ATOM 243 N SER A 17 -1.897 -0.165 -9.772 1.00 0.00 N ATOM 244 CA SER A 17 -1.335 0.837 -10.659 1.00 0.00 C ATOM 245 C SER A 17 -0.197 1.648 -10.001 1.00 0.00 C ATOM 246 O SER A 17 0.389 2.512 -10.650 1.00 0.00 O ATOM 247 CB SER A 17 -2.471 1.741 -11.146 1.00 0.00 C ATOM 248 OG SER A 17 -3.555 0.958 -11.630 1.00 0.00 O ATOM 0 H SER A 17 -2.550 0.243 -9.102 1.00 0.00 H new ATOM 0 HA SER A 17 -0.872 0.335 -11.508 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.811 2.380 -10.331 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.108 2.399 -11.936 1.00 0.00 H new ATOM 0 HG SER A 17 -4.057 0.591 -10.873 1.00 0.00 H new ATOM 254 N VAL A 18 0.163 1.365 -8.743 1.00 0.00 N ATOM 255 CA VAL A 18 1.183 2.085 -7.982 1.00 0.00 C ATOM 256 C VAL A 18 2.344 1.153 -7.641 1.00 0.00 C ATOM 257 O VAL A 18 3.430 1.305 -8.194 1.00 0.00 O ATOM 258 CB VAL A 18 0.543 2.752 -6.745 1.00 0.00 C ATOM 259 CG1 VAL A 18 1.573 3.304 -5.743 1.00 0.00 C ATOM 260 CG2 VAL A 18 -0.385 3.910 -7.148 1.00 0.00 C ATOM 0 H VAL A 18 -0.263 0.604 -8.213 1.00 0.00 H new ATOM 0 HA VAL A 18 1.605 2.889 -8.586 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.020 1.954 -6.261 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.053 3.758 -4.900 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.204 2.491 -5.385 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.192 4.055 -6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.819 4.357 -6.253 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.187 4.663 -7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.182 3.532 -7.787 1.00 0.00 H new ATOM 270 N LEU A 19 2.164 0.223 -6.697 1.00 0.00 N ATOM 271 CA LEU A 19 3.299 -0.417 -6.031 1.00 0.00 C ATOM 272 C LEU A 19 3.672 -1.665 -6.817 1.00 0.00 C ATOM 273 O LEU A 19 4.741 -1.737 -7.420 1.00 0.00 O ATOM 274 CB LEU A 19 2.981 -0.666 -4.540 1.00 0.00 C ATOM 275 CG LEU A 19 4.189 -0.618 -3.581 1.00 0.00 C ATOM 276 CD1 LEU A 19 5.143 -1.805 -3.738 1.00 0.00 C ATOM 277 CD2 LEU A 19 4.973 0.695 -3.676 1.00 0.00 C ATOM 0 H LEU A 19 1.250 -0.100 -6.380 1.00 0.00 H new ATOM 0 HA LEU A 19 4.176 0.231 -6.023 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.252 0.076 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.505 -1.642 -4.447 1.00 0.00 H new ATOM 0 HG LEU A 19 3.744 -0.682 -2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.968 -1.705 -3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.606 -2.732 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.535 -1.824 -4.755 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.810 0.670 -2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.350 0.821 -4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.317 1.529 -3.426 1.00 0.00 H new ATOM 289 N GLN A 20 2.755 -2.631 -6.862 1.00 0.00 N ATOM 290 CA GLN A 20 2.863 -3.827 -7.669 1.00 0.00 C ATOM 291 C GLN A 20 3.092 -3.538 -9.160 1.00 0.00 C ATOM 292 O GLN A 20 3.682 -4.385 -9.816 1.00 0.00 O ATOM 293 CB GLN A 20 1.603 -4.654 -7.412 1.00 0.00 C ATOM 294 CG GLN A 20 0.473 -4.495 -8.401 1.00 0.00 C ATOM 295 CD GLN A 20 0.631 -5.279 -9.703 1.00 0.00 C ATOM 296 OE1 GLN A 20 0.717 -4.700 -10.778 1.00 0.00 O ATOM 297 NE2 GLN A 20 0.678 -6.593 -9.638 1.00 0.00 N ATOM 0 H GLN A 20 1.893 -2.593 -6.318 1.00 0.00 H new ATOM 0 HA GLN A 20 3.751 -4.388 -7.379 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.886 -5.706 -7.386 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.226 -4.400 -6.421 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.455 -4.804 -7.920 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.370 -3.437 -8.643 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.605 -7.062 -8.735 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.787 -7.142 -10.491 1.00 0.00 H new ATOM 306 N GLN A 21 2.662 -2.362 -9.652 1.00 0.00 N ATOM 307 CA GLN A 21 2.739 -1.875 -11.033 1.00 0.00 C ATOM 308 C GLN A 21 4.020 -2.323 -11.726 1.00 0.00 C ATOM 309 O GLN A 21 3.968 -2.696 -12.897 1.00 0.00 O ATOM 310 CB GLN A 21 2.612 -0.351 -10.979 1.00 0.00 C ATOM 311 CG GLN A 21 2.755 0.363 -12.322 1.00 0.00 C ATOM 312 CD GLN A 21 1.535 0.360 -13.232 1.00 0.00 C ATOM 313 OE1 GLN A 21 1.413 -0.474 -14.120 1.00 0.00 O ATOM 314 NE2 GLN A 21 0.674 1.358 -13.143 1.00 0.00 N ATOM 0 H GLN A 21 2.217 -1.676 -9.042 1.00 0.00 H new ATOM 0 HA GLN A 21 1.932 -2.298 -11.631 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.641 -0.098 -10.553 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.369 0.037 -10.297 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.032 1.399 -12.128 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.584 -0.093 -12.863 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.774 2.054 -12.404 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.091 1.433 -13.813 1.00 0.00 H new ATOM 323 N LEU A 22 5.140 -2.268 -11.004 1.00 0.00 N ATOM 324 CA LEU A 22 6.424 -2.786 -11.443 1.00 0.00 C ATOM 325 C LEU A 22 7.127 -3.591 -10.361 1.00 0.00 C ATOM 326 O LEU A 22 7.882 -4.497 -10.698 1.00 0.00 O ATOM 327 CB LEU A 22 7.318 -1.611 -11.848 1.00 0.00 C ATOM 328 CG LEU A 22 6.943 -1.075 -13.243 1.00 0.00 C ATOM 329 CD1 LEU A 22 6.719 0.436 -13.215 1.00 0.00 C ATOM 330 CD2 LEU A 22 7.978 -1.480 -14.290 1.00 0.00 C ATOM 0 H LEU A 22 5.174 -1.850 -10.074 1.00 0.00 H new ATOM 0 HA LEU A 22 6.242 -3.454 -12.285 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.226 -0.812 -11.113 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.361 -1.928 -11.846 1.00 0.00 H new ATOM 0 HG LEU A 22 5.998 -1.534 -13.533 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.456 0.783 -14.214 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.909 0.671 -12.524 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.632 0.933 -12.887 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.684 -1.086 -15.263 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.952 -1.076 -14.014 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.038 -2.567 -14.341 1.00 0.00 H new ATOM 342 N ARG A 23 6.989 -3.231 -9.079 1.00 0.00 N ATOM 343 CA ARG A 23 7.797 -3.863 -8.039 1.00 0.00 C ATOM 344 C ARG A 23 7.293 -5.288 -7.810 1.00 0.00 C ATOM 345 O ARG A 23 7.866 -6.250 -8.315 1.00 0.00 O ATOM 346 CB ARG A 23 7.812 -3.010 -6.756 1.00 0.00 C ATOM 347 CG ARG A 23 8.563 -1.673 -6.900 1.00 0.00 C ATOM 348 CD ARG A 23 7.658 -0.433 -6.833 1.00 0.00 C ATOM 349 NE ARG A 23 8.442 0.786 -6.567 1.00 0.00 N ATOM 350 CZ ARG A 23 9.015 1.130 -5.406 1.00 0.00 C ATOM 351 NH1 ARG A 23 8.813 0.418 -4.299 1.00 0.00 N ATOM 352 NH2 ARG A 23 9.801 2.193 -5.358 1.00 0.00 N ATOM 0 H ARG A 23 6.338 -2.520 -8.745 1.00 0.00 H new ATOM 0 HA ARG A 23 8.836 -3.927 -8.361 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.784 -2.807 -6.455 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.271 -3.588 -5.953 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.314 -1.604 -6.113 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.096 -1.669 -7.851 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.118 -0.323 -7.773 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.912 -0.566 -6.050 1.00 0.00 H new ATOM 0 HE ARG A 23 8.560 1.434 -7.346 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.213 -0.406 -4.325 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.259 0.697 -3.425 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.967 2.743 -6.201 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.241 2.462 -4.478 1.00 0.00 H new ATOM 366 N VAL A 24 6.187 -5.405 -7.084 1.00 0.00 N ATOM 367 CA VAL A 24 5.651 -6.668 -6.588 1.00 0.00 C ATOM 368 C VAL A 24 4.576 -7.182 -7.556 1.00 0.00 C ATOM 369 O VAL A 24 3.423 -7.391 -7.184 1.00 0.00 O ATOM 370 CB VAL A 24 5.242 -6.502 -5.108 1.00 0.00 C ATOM 371 CG1 VAL A 24 4.231 -5.381 -4.849 1.00 0.00 C ATOM 372 CG2 VAL A 24 4.776 -7.810 -4.466 1.00 0.00 C ATOM 0 H VAL A 24 5.621 -4.600 -6.816 1.00 0.00 H new ATOM 0 HA VAL A 24 6.396 -7.464 -6.573 1.00 0.00 H new ATOM 0 HB VAL A 24 6.167 -6.197 -4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.001 -5.337 -3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.654 -4.429 -5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.317 -5.579 -5.409 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.503 -7.628 -3.427 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.911 -8.193 -5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.582 -8.542 -4.506 1.00 0.00 H new ATOM 382 N GLU A 25 4.942 -7.315 -8.831 1.00 0.00 N ATOM 383 CA GLU A 25 4.004 -7.584 -9.927 1.00 0.00 C ATOM 384 C GLU A 25 3.167 -8.858 -9.739 1.00 0.00 C ATOM 385 O GLU A 25 2.060 -8.947 -10.266 1.00 0.00 O ATOM 386 CB GLU A 25 4.742 -7.560 -11.270 1.00 0.00 C ATOM 387 CG GLU A 25 5.737 -8.714 -11.420 1.00 0.00 C ATOM 388 CD GLU A 25 6.604 -8.505 -12.651 1.00 0.00 C ATOM 389 OE1 GLU A 25 7.663 -7.851 -12.517 1.00 0.00 O ATOM 390 OE2 GLU A 25 6.220 -8.979 -13.747 1.00 0.00 O ATOM 0 H GLU A 25 5.912 -7.238 -9.138 1.00 0.00 H new ATOM 0 HA GLU A 25 3.269 -6.779 -9.918 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.014 -7.606 -12.080 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.273 -6.613 -11.371 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.365 -8.780 -10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.199 -9.659 -11.501 1.00 0.00 H new ATOM 397 N SER A 26 3.653 -9.820 -8.955 1.00 0.00 N ATOM 398 CA SER A 26 2.903 -10.814 -8.192 1.00 0.00 C ATOM 399 C SER A 26 3.894 -11.593 -7.330 1.00 0.00 C ATOM 400 O SER A 26 5.089 -11.581 -7.617 1.00 0.00 O ATOM 401 CB SER A 26 2.167 -11.796 -9.109 1.00 0.00 C ATOM 402 OG SER A 26 0.984 -11.217 -9.612 1.00 0.00 O ATOM 0 H SER A 26 4.659 -9.932 -8.828 1.00 0.00 H new ATOM 0 HA SER A 26 2.158 -10.300 -7.584 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.816 -12.086 -9.935 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.927 -12.706 -8.558 1.00 0.00 H new ATOM 0 HG SER A 26 1.207 -10.421 -10.138 1.00 0.00 H new ATOM 408 N SER A 27 3.399 -12.290 -6.308 1.00 0.00 N ATOM 409 CA SER A 27 4.015 -13.439 -5.660 1.00 0.00 C ATOM 410 C SER A 27 2.981 -13.912 -4.640 1.00 0.00 C ATOM 411 O SER A 27 2.552 -13.135 -3.777 1.00 0.00 O ATOM 412 CB SER A 27 5.361 -13.080 -5.014 1.00 0.00 C ATOM 413 OG SER A 27 5.956 -14.171 -4.335 1.00 0.00 O ATOM 0 H SER A 27 2.502 -12.050 -5.887 1.00 0.00 H new ATOM 0 HA SER A 27 4.262 -14.227 -6.371 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.044 -12.722 -5.785 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.214 -12.259 -4.312 1.00 0.00 H new ATOM 0 HG SER A 27 6.809 -13.888 -3.945 1.00 0.00 H new ATOM 419 N SER A 28 2.555 -15.173 -4.772 1.00 0.00 N ATOM 420 CA SER A 28 1.604 -15.834 -3.892 1.00 0.00 C ATOM 421 C SER A 28 0.296 -15.027 -3.761 1.00 0.00 C ATOM 422 O SER A 28 -0.040 -14.153 -4.572 1.00 0.00 O ATOM 423 CB SER A 28 2.357 -16.100 -2.566 1.00 0.00 C ATOM 424 OG SER A 28 1.633 -16.917 -1.659 1.00 0.00 O ATOM 0 H SER A 28 2.880 -15.778 -5.526 1.00 0.00 H new ATOM 0 HA SER A 28 1.258 -16.788 -4.290 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.312 -16.576 -2.789 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.580 -15.147 -2.086 1.00 0.00 H new ATOM 0 HG SER A 28 2.161 -17.049 -0.844 1.00 0.00 H new ATOM 430 N LYS A 29 -0.488 -15.354 -2.737 1.00 0.00 N ATOM 431 CA LYS A 29 -1.387 -14.423 -2.071 1.00 0.00 C ATOM 432 C LYS A 29 -0.656 -13.625 -0.980 1.00 0.00 C ATOM 433 O LYS A 29 -1.289 -12.770 -0.375 1.00 0.00 O ATOM 434 CB LYS A 29 -2.573 -15.198 -1.473 1.00 0.00 C ATOM 435 CG LYS A 29 -3.913 -14.922 -2.159 1.00 0.00 C ATOM 436 CD LYS A 29 -4.075 -15.566 -3.542 1.00 0.00 C ATOM 437 CE LYS A 29 -5.569 -15.522 -3.894 1.00 0.00 C ATOM 438 NZ LYS A 29 -5.973 -16.550 -4.870 1.00 0.00 N ATOM 0 H LYS A 29 -0.515 -16.294 -2.341 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.756 -13.708 -2.806 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.361 -16.266 -1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.660 -14.947 -0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.716 -15.277 -1.513 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.038 -13.844 -2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.489 -15.029 -4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.713 -16.594 -3.532 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.153 -15.648 -2.982 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.811 -14.537 -4.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.991 -16.464 -5.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.441 -16.418 -5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.772 -17.494 -4.483 1.00 0.00 H new ATOM 452 N LEU A 30 0.638 -13.867 -0.725 1.00 0.00 N ATOM 453 CA LEU A 30 1.449 -13.202 0.301 1.00 0.00 C ATOM 454 C LEU A 30 1.220 -11.693 0.252 1.00 0.00 C ATOM 455 O LEU A 30 0.628 -11.123 1.166 1.00 0.00 O ATOM 456 CB LEU A 30 2.939 -13.589 0.123 1.00 0.00 C ATOM 457 CG LEU A 30 3.897 -13.107 1.235 1.00 0.00 C ATOM 458 CD1 LEU A 30 5.311 -13.633 0.968 1.00 0.00 C ATOM 459 CD2 LEU A 30 3.995 -11.587 1.346 1.00 0.00 C ATOM 0 H LEU A 30 1.169 -14.561 -1.251 1.00 0.00 H new ATOM 0 HA LEU A 30 1.146 -13.536 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.007 -14.675 0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.287 -13.189 -0.829 1.00 0.00 H new ATOM 0 HG LEU A 30 3.481 -13.492 2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.982 -13.290 1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.297 -14.723 0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.662 -13.261 0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.685 -11.324 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.359 -11.176 0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.010 -11.174 1.565 1.00 0.00 H new ATOM 471 N TRP A 31 1.672 -11.038 -0.816 1.00 0.00 N ATOM 472 CA TRP A 31 1.554 -9.590 -0.939 1.00 0.00 C ATOM 473 C TRP A 31 0.076 -9.175 -0.986 1.00 0.00 C ATOM 474 O TRP A 31 -0.321 -8.117 -0.483 1.00 0.00 O ATOM 475 CB TRP A 31 2.331 -9.159 -2.195 1.00 0.00 C ATOM 476 CG TRP A 31 1.630 -8.269 -3.174 1.00 0.00 C ATOM 477 CD1 TRP A 31 1.649 -6.922 -3.133 1.00 0.00 C ATOM 478 CD2 TRP A 31 0.831 -8.623 -4.347 1.00 0.00 C ATOM 479 NE1 TRP A 31 0.970 -6.415 -4.218 1.00 0.00 N ATOM 480 CE2 TRP A 31 0.406 -7.415 -4.978 1.00 0.00 C ATOM 481 CE3 TRP A 31 0.414 -9.836 -4.938 1.00 0.00 C ATOM 482 CZ2 TRP A 31 -0.402 -7.403 -6.123 1.00 0.00 C ATOM 483 CZ3 TRP A 31 -0.388 -9.837 -6.097 1.00 0.00 C ATOM 484 CH2 TRP A 31 -0.794 -8.624 -6.688 1.00 0.00 C ATOM 0 H TRP A 31 2.125 -11.491 -1.610 1.00 0.00 H new ATOM 0 HA TRP A 31 1.982 -9.087 -0.072 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.239 -8.651 -1.870 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.642 -10.060 -2.723 1.00 0.00 H new ATOM 0 HD1 TRP A 31 2.125 -6.330 -2.365 1.00 0.00 H new ATOM 0 HE1 TRP A 31 0.894 -5.421 -4.432 1.00 0.00 H new ATOM 0 HE3 TRP A 31 0.713 -10.775 -4.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.717 -6.468 -6.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -0.694 -10.775 -6.536 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.408 -8.635 -7.577 1.00 0.00 H new ATOM 495 N ALA A 32 -0.741 -10.034 -1.595 1.00 0.00 N ATOM 496 CA ALA A 32 -2.159 -9.836 -1.821 1.00 0.00 C ATOM 497 C ALA A 32 -2.940 -9.711 -0.501 1.00 0.00 C ATOM 498 O ALA A 32 -3.956 -9.017 -0.474 1.00 0.00 O ATOM 499 CB ALA A 32 -2.718 -10.963 -2.690 1.00 0.00 C ATOM 0 H ALA A 32 -0.409 -10.927 -1.959 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.284 -8.892 -2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.784 -10.803 -2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.202 -10.972 -3.650 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.567 -11.919 -2.188 1.00 0.00 H new ATOM 505 N GLN A 33 -2.477 -10.319 0.596 1.00 0.00 N ATOM 506 CA GLN A 33 -3.060 -10.176 1.926 1.00 0.00 C ATOM 507 C GLN A 33 -3.044 -8.714 2.391 1.00 0.00 C ATOM 508 O GLN A 33 -3.987 -8.307 3.066 1.00 0.00 O ATOM 509 CB GLN A 33 -2.336 -11.065 2.954 1.00 0.00 C ATOM 510 CG GLN A 33 -2.754 -12.541 2.912 1.00 0.00 C ATOM 511 CD GLN A 33 -2.271 -13.309 4.148 1.00 0.00 C ATOM 512 OE1 GLN A 33 -2.613 -12.970 5.271 1.00 0.00 O ATOM 513 NE2 GLN A 33 -1.470 -14.354 3.991 1.00 0.00 N ATOM 0 H GLN A 33 -1.667 -10.938 0.579 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.097 -10.503 1.856 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.262 -10.998 2.783 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.525 -10.673 3.954 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.840 -12.609 2.844 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.349 -13.007 2.014 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.182 -14.640 3.055 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.142 -14.872 4.806 1.00 0.00 H new ATOM 522 N CYS A 34 -2.048 -7.909 2.001 1.00 0.00 N ATOM 523 CA CYS A 34 -2.085 -6.460 2.198 1.00 0.00 C ATOM 524 C CYS A 34 -2.788 -5.781 1.032 1.00 0.00 C ATOM 525 O CYS A 34 -3.456 -4.759 1.215 1.00 0.00 O ATOM 526 CB CYS A 34 -0.665 -5.911 2.352 1.00 0.00 C ATOM 527 SG CYS A 34 0.012 -6.261 3.995 1.00 0.00 S ATOM 0 H CYS A 34 -1.200 -8.244 1.543 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.644 -6.249 3.109 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.020 -6.351 1.591 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.670 -4.834 2.182 1.00 0.00 H new ATOM 0 HG CYS A 34 0.999 -5.451 4.239 1.00 0.00 H new ATOM 533 N VAL A 35 -2.675 -6.338 -0.176 1.00 0.00 N ATOM 534 CA VAL A 35 -3.329 -5.740 -1.321 1.00 0.00 C ATOM 535 C VAL A 35 -4.865 -5.804 -1.206 1.00 0.00 C ATOM 536 O VAL A 35 -5.512 -5.011 -1.883 1.00 0.00 O ATOM 537 CB VAL A 35 -2.744 -6.280 -2.650 1.00 0.00 C ATOM 538 CG1 VAL A 35 -3.704 -7.100 -3.528 1.00 0.00 C ATOM 539 CG2 VAL A 35 -2.218 -5.111 -3.486 1.00 0.00 C ATOM 0 H VAL A 35 -2.145 -7.186 -0.376 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.107 -4.673 -1.331 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.959 -6.971 -2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.185 -7.424 -4.430 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.048 -7.973 -2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.560 -6.485 -3.804 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.806 -5.489 -4.422 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.034 -4.421 -3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.439 -4.589 -2.931 1.00 0.00 H new ATOM 549 N GLN A 36 -5.460 -6.643 -0.343 1.00 0.00 N ATOM 550 CA GLN A 36 -6.871 -6.507 0.020 1.00 0.00 C ATOM 551 C GLN A 36 -7.066 -5.234 0.860 1.00 0.00 C ATOM 552 O GLN A 36 -7.603 -4.258 0.349 1.00 0.00 O ATOM 553 CB GLN A 36 -7.488 -7.777 0.647 1.00 0.00 C ATOM 554 CG GLN A 36 -6.743 -8.469 1.803 1.00 0.00 C ATOM 555 CD GLN A 36 -7.696 -9.282 2.684 1.00 0.00 C ATOM 556 OE1 GLN A 36 -8.620 -9.929 2.200 1.00 0.00 O ATOM 557 NE2 GLN A 36 -7.550 -9.230 3.998 1.00 0.00 N ATOM 0 H GLN A 36 -4.983 -7.420 0.113 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.444 -6.393 -0.900 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.485 -7.518 1.004 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.616 -8.510 -0.150 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.972 -9.125 1.398 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.236 -7.719 2.410 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.784 -8.694 4.405 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.204 -9.726 4.604 1.00 0.00 H new ATOM 566 N LEU A 37 -6.589 -5.204 2.111 1.00 0.00 N ATOM 567 CA LEU A 37 -6.787 -4.155 3.115 1.00 0.00 C ATOM 568 C LEU A 37 -6.447 -2.756 2.612 1.00 0.00 C ATOM 569 O LEU A 37 -7.104 -1.815 3.036 1.00 0.00 O ATOM 570 CB LEU A 37 -5.981 -4.529 4.386 1.00 0.00 C ATOM 571 CG LEU A 37 -6.753 -4.499 5.724 1.00 0.00 C ATOM 572 CD1 LEU A 37 -6.940 -3.087 6.270 1.00 0.00 C ATOM 573 CD2 LEU A 37 -8.093 -5.249 5.662 1.00 0.00 C ATOM 0 H LEU A 37 -6.015 -5.966 2.472 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.850 -4.107 3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.573 -5.531 4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.133 -3.848 4.465 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.118 -5.036 6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.489 -3.130 7.211 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.965 -2.630 6.439 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.500 -2.490 5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.587 -5.192 6.632 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.730 -4.794 4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.914 -6.294 5.407 1.00 0.00 H new ATOM 585 N HIS A 38 -5.534 -2.564 1.650 1.00 0.00 N ATOM 586 CA HIS A 38 -5.363 -1.244 1.031 1.00 0.00 C ATOM 587 C HIS A 38 -6.702 -0.647 0.501 1.00 0.00 C ATOM 588 O HIS A 38 -6.799 0.570 0.350 1.00 0.00 O ATOM 589 CB HIS A 38 -4.279 -1.296 -0.036 1.00 0.00 C ATOM 590 CG HIS A 38 -4.850 -1.282 -1.426 1.00 0.00 C ATOM 591 ND1 HIS A 38 -5.288 -2.359 -2.150 1.00 0.00 N ATOM 592 CD2 HIS A 38 -5.090 -0.161 -2.161 1.00 0.00 C ATOM 593 CE1 HIS A 38 -5.726 -1.891 -3.325 1.00 0.00 C ATOM 594 NE2 HIS A 38 -5.706 -0.552 -3.327 1.00 0.00 N ATOM 0 H HIS A 38 -4.914 -3.290 1.290 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.033 -0.554 1.808 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.608 -0.446 0.088 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.680 -2.197 0.100 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -5.282 -3.334 -1.850 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.842 0.852 -1.879 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.049 -2.505 -4.153 1.00 0.00 H new ATOM 603 N ASN A 39 -7.712 -1.471 0.170 1.00 0.00 N ATOM 604 CA ASN A 39 -9.070 -1.040 -0.192 1.00 0.00 C ATOM 605 C ASN A 39 -9.759 -0.386 1.009 1.00 0.00 C ATOM 606 O ASN A 39 -10.358 0.681 0.922 1.00 0.00 O ATOM 607 CB ASN A 39 -9.932 -2.220 -0.683 1.00 0.00 C ATOM 608 CG ASN A 39 -11.387 -1.799 -0.892 1.00 0.00 C ATOM 609 OD1 ASN A 39 -11.650 -0.848 -1.620 1.00 0.00 O ATOM 610 ND2 ASN A 39 -12.345 -2.502 -0.320 1.00 0.00 N ATOM 0 H ASN A 39 -7.600 -2.485 0.147 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.973 -0.320 -1.004 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.525 -2.605 -1.618 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.887 -3.032 0.043 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.322 -2.258 -0.480 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.109 -3.290 0.283 1.00 0.00 H new ATOM 617 N ASP A 40 -9.629 -0.976 2.185 1.00 0.00 N ATOM 618 CA ASP A 40 -10.186 -0.419 3.405 1.00 0.00 C ATOM 619 C ASP A 40 -9.406 0.827 3.851 1.00 0.00 C ATOM 620 O ASP A 40 -9.845 1.580 4.715 1.00 0.00 O ATOM 621 CB ASP A 40 -10.158 -1.479 4.500 1.00 0.00 C ATOM 622 CG ASP A 40 -11.217 -2.571 4.332 1.00 0.00 C ATOM 623 OD1 ASP A 40 -10.963 -3.529 3.569 1.00 0.00 O ATOM 624 OD2 ASP A 40 -12.281 -2.540 4.990 1.00 0.00 O ATOM 0 H ASP A 40 -9.133 -1.857 2.321 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.215 -0.116 3.214 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.172 -1.943 4.518 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.300 -0.994 5.466 1.00 0.00 H new ATOM 629 N ILE A 41 -8.247 1.099 3.262 1.00 0.00 N ATOM 630 CA ILE A 41 -7.475 2.274 3.591 1.00 0.00 C ATOM 631 C ILE A 41 -7.964 3.505 2.817 1.00 0.00 C ATOM 632 O ILE A 41 -7.618 4.601 3.241 1.00 0.00 O ATOM 633 CB ILE A 41 -5.983 1.940 3.408 1.00 0.00 C ATOM 634 CG1 ILE A 41 -5.354 1.326 4.691 1.00 0.00 C ATOM 635 CG2 ILE A 41 -5.126 3.168 3.163 1.00 0.00 C ATOM 636 CD1 ILE A 41 -5.792 -0.072 5.107 1.00 0.00 C ATOM 0 H ILE A 41 -7.824 0.508 2.546 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.617 2.554 4.635 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.983 1.255 2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.272 1.310 4.557 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.563 2.001 5.521 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.085 2.867 3.042 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.465 3.674 2.259 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.211 3.846 4.012 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.267 -0.362 6.017 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.867 -0.077 5.290 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.556 -0.779 4.312 1.00 0.00 H new ATOM 648 N LEU A 42 -8.775 3.410 1.747 1.00 0.00 N ATOM 649 CA LEU A 42 -9.192 4.621 1.026 1.00 0.00 C ATOM 650 C LEU A 42 -9.853 5.624 1.964 1.00 0.00 C ATOM 651 O LEU A 42 -9.661 6.819 1.756 1.00 0.00 O ATOM 652 CB LEU A 42 -10.202 4.352 -0.110 1.00 0.00 C ATOM 653 CG LEU A 42 -9.742 3.723 -1.432 1.00 0.00 C ATOM 654 CD1 LEU A 42 -8.242 3.837 -1.646 1.00 0.00 C ATOM 655 CD2 LEU A 42 -10.067 2.242 -1.528 1.00 0.00 C ATOM 0 H LEU A 42 -9.144 2.535 1.373 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.268 5.012 0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.981 3.708 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.672 5.305 -0.354 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.287 4.287 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.974 3.375 -2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.955 4.889 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.719 3.329 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.717 1.854 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.572 1.708 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.145 2.100 -1.451 1.00 0.00 H new ATOM 667 N LEU A 43 -10.578 5.171 2.998 1.00 0.00 N ATOM 668 CA LEU A 43 -11.137 6.070 4.005 1.00 0.00 C ATOM 669 C LEU A 43 -10.432 5.786 5.322 1.00 0.00 C ATOM 670 O LEU A 43 -11.072 5.429 6.314 1.00 0.00 O ATOM 671 CB LEU A 43 -12.681 5.983 4.077 1.00 0.00 C ATOM 672 CG LEU A 43 -13.486 6.520 2.876 1.00 0.00 C ATOM 673 CD1 LEU A 43 -12.880 7.807 2.323 1.00 0.00 C ATOM 674 CD2 LEU A 43 -13.634 5.496 1.744 1.00 0.00 C ATOM 0 H LEU A 43 -10.788 4.185 3.154 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.954 7.110 3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.952 4.937 4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.006 6.522 4.967 1.00 0.00 H new ATOM 0 HG LEU A 43 -14.482 6.729 3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.474 8.155 1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.874 8.570 3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.858 7.616 1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.210 5.935 0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.647 5.212 1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.150 4.612 2.118 1.00 0.00 H new ATOM 686 N ALA A 44 -9.100 5.888 5.323 1.00 0.00 N ATOM 687 CA ALA A 44 -8.312 5.654 6.540 1.00 0.00 C ATOM 688 C ALA A 44 -8.257 6.902 7.421 1.00 0.00 C ATOM 689 O ALA A 44 -8.247 6.792 8.649 1.00 0.00 O ATOM 690 CB ALA A 44 -6.888 5.231 6.207 1.00 0.00 C ATOM 0 H ALA A 44 -8.546 6.129 4.501 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.812 4.851 7.082 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.332 5.066 7.130 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.909 4.309 5.626 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.402 6.015 5.626 1.00 0.00 H new ATOM 696 N LYS A 45 -8.194 8.084 6.801 1.00 0.00 N ATOM 697 CA LYS A 45 -8.192 9.369 7.483 1.00 0.00 C ATOM 698 C LYS A 45 -8.688 10.430 6.517 1.00 0.00 C ATOM 699 O LYS A 45 -9.794 10.944 6.659 1.00 0.00 O ATOM 700 CB LYS A 45 -6.789 9.688 8.033 1.00 0.00 C ATOM 701 CG LYS A 45 -6.793 10.997 8.845 1.00 0.00 C ATOM 702 CD LYS A 45 -6.987 10.796 10.353 1.00 0.00 C ATOM 703 CE LYS A 45 -5.752 11.218 11.162 1.00 0.00 C ATOM 704 NZ LYS A 45 -4.548 10.402 10.911 1.00 0.00 N ATOM 0 H LYS A 45 -8.142 8.169 5.786 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.862 9.343 8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.447 8.867 8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.082 9.771 7.207 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.851 11.520 8.677 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.587 11.643 8.470 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.850 11.372 10.686 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.208 9.747 10.552 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.523 12.259 10.936 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.994 11.168 12.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.898 10.485 11.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.823 9.406 10.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.074 10.739 10.049 1.00 0.00 H new ATOM 718 N ASP A 46 -7.888 10.731 5.514 1.00 0.00 N ATOM 719 CA ASP A 46 -8.113 11.776 4.523 1.00 0.00 C ATOM 720 C ASP A 46 -7.521 11.299 3.211 1.00 0.00 C ATOM 721 O ASP A 46 -6.753 10.339 3.224 1.00 0.00 O ATOM 722 CB ASP A 46 -7.414 13.071 4.950 1.00 0.00 C ATOM 723 CG ASP A 46 -7.996 14.311 4.271 1.00 0.00 C ATOM 724 OD1 ASP A 46 -9.222 14.331 3.994 1.00 0.00 O ATOM 725 OD2 ASP A 46 -7.220 15.250 3.996 1.00 0.00 O ATOM 0 H ASP A 46 -7.015 10.228 5.356 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.180 11.975 4.424 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.495 13.183 6.031 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.352 12.999 4.716 1.00 0.00 H new ATOM 730 N THR A 47 -7.834 11.950 2.096 1.00 0.00 N ATOM 731 CA THR A 47 -7.529 11.439 0.766 1.00 0.00 C ATOM 732 C THR A 47 -6.024 11.227 0.534 1.00 0.00 C ATOM 733 O THR A 47 -5.667 10.312 -0.215 1.00 0.00 O ATOM 734 CB THR A 47 -8.175 12.376 -0.266 1.00 0.00 C ATOM 735 OG1 THR A 47 -9.553 12.525 0.046 1.00 0.00 O ATOM 736 CG2 THR A 47 -8.085 11.861 -1.705 1.00 0.00 C ATOM 0 H THR A 47 -8.309 12.852 2.090 1.00 0.00 H new ATOM 0 HA THR A 47 -7.953 10.441 0.657 1.00 0.00 H new ATOM 0 HB THR A 47 -7.627 13.316 -0.212 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.973 13.123 -0.607 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.562 12.574 -2.377 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.038 11.743 -1.984 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.591 10.898 -1.779 1.00 0.00 H new ATOM 744 N THR A 48 -5.149 12.000 1.185 1.00 0.00 N ATOM 745 CA THR A 48 -3.712 11.773 1.109 1.00 0.00 C ATOM 746 C THR A 48 -3.392 10.602 2.043 1.00 0.00 C ATOM 747 O THR A 48 -3.089 9.507 1.575 1.00 0.00 O ATOM 748 CB THR A 48 -2.956 13.086 1.416 1.00 0.00 C ATOM 749 OG1 THR A 48 -3.321 14.068 0.456 1.00 0.00 O ATOM 750 CG2 THR A 48 -1.438 12.908 1.342 1.00 0.00 C ATOM 0 H THR A 48 -5.418 12.790 1.771 1.00 0.00 H new ATOM 0 HA THR A 48 -3.377 11.494 0.110 1.00 0.00 H new ATOM 0 HB THR A 48 -3.226 13.387 2.428 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.846 14.904 0.646 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.949 13.856 1.565 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.124 12.158 2.068 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.158 12.582 0.340 1.00 0.00 H new ATOM 758 N GLU A 49 -3.542 10.802 3.354 1.00 0.00 N ATOM 759 CA GLU A 49 -3.143 9.879 4.418 1.00 0.00 C ATOM 760 C GLU A 49 -3.658 8.443 4.260 1.00 0.00 C ATOM 761 O GLU A 49 -3.039 7.487 4.728 1.00 0.00 O ATOM 762 CB GLU A 49 -3.719 10.428 5.723 1.00 0.00 C ATOM 763 CG GLU A 49 -2.920 11.597 6.296 1.00 0.00 C ATOM 764 CD GLU A 49 -3.430 11.899 7.703 1.00 0.00 C ATOM 765 OE1 GLU A 49 -3.351 10.982 8.557 1.00 0.00 O ATOM 766 OE2 GLU A 49 -4.034 12.980 7.904 1.00 0.00 O ATOM 0 H GLU A 49 -3.966 11.654 3.720 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.055 9.820 4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.746 10.750 5.551 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.755 9.626 6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.859 11.351 6.324 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.027 12.475 5.659 1.00 0.00 H new ATOM 773 N ALA A 50 -4.825 8.304 3.644 1.00 0.00 N ATOM 774 CA ALA A 50 -5.401 7.071 3.179 1.00 0.00 C ATOM 775 C ALA A 50 -4.445 6.374 2.231 1.00 0.00 C ATOM 776 O ALA A 50 -3.677 5.506 2.635 1.00 0.00 O ATOM 777 CB ALA A 50 -6.750 7.392 2.525 1.00 0.00 C ATOM 0 H ALA A 50 -5.424 9.106 3.449 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.573 6.382 4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.207 6.471 2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.407 7.860 3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.596 8.073 1.688 1.00 0.00 H new ATOM 783 N PHE A 51 -4.520 6.743 0.960 1.00 0.00 N ATOM 784 CA PHE A 51 -3.743 6.130 -0.103 1.00 0.00 C ATOM 785 C PHE A 51 -2.254 6.030 0.273 1.00 0.00 C ATOM 786 O PHE A 51 -1.610 5.037 -0.057 1.00 0.00 O ATOM 787 CB PHE A 51 -4.001 6.853 -1.431 1.00 0.00 C ATOM 788 CG PHE A 51 -2.744 7.492 -2.007 1.00 0.00 C ATOM 789 CD1 PHE A 51 -2.309 8.746 -1.540 1.00 0.00 C ATOM 790 CD2 PHE A 51 -1.894 6.734 -2.842 1.00 0.00 C ATOM 791 CE1 PHE A 51 -1.025 9.216 -1.867 1.00 0.00 C ATOM 792 CE2 PHE A 51 -0.622 7.214 -3.188 1.00 0.00 C ATOM 793 CZ PHE A 51 -0.180 8.444 -2.682 1.00 0.00 C ATOM 0 H PHE A 51 -5.134 7.490 0.635 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.072 5.100 -0.240 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.407 6.144 -2.153 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.758 7.622 -1.280 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.964 9.349 -0.928 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.226 5.777 -3.217 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.688 10.171 -1.492 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.015 6.637 -3.842 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.812 8.799 -2.919 1.00 0.00 H new ATOM 803 N GLU A 52 -1.727 7.008 1.008 1.00 0.00 N ATOM 804 CA GLU A 52 -0.382 6.993 1.547 1.00 0.00 C ATOM 805 C GLU A 52 -0.154 5.764 2.427 1.00 0.00 C ATOM 806 O GLU A 52 0.721 4.955 2.105 1.00 0.00 O ATOM 807 CB GLU A 52 -0.112 8.316 2.279 1.00 0.00 C ATOM 808 CG GLU A 52 0.293 9.416 1.274 1.00 0.00 C ATOM 809 CD GLU A 52 1.346 10.411 1.772 1.00 0.00 C ATOM 810 OE1 GLU A 52 1.390 10.678 2.991 1.00 0.00 O ATOM 811 OE2 GLU A 52 2.120 10.885 0.899 1.00 0.00 O ATOM 0 H GLU A 52 -2.245 7.854 1.248 1.00 0.00 H new ATOM 0 HA GLU A 52 0.339 6.912 0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.003 8.625 2.826 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.681 8.177 3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.670 8.937 0.371 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.601 9.972 0.991 1.00 0.00 H new ATOM 818 N LYS A 53 -0.960 5.537 3.476 1.00 0.00 N ATOM 819 CA LYS A 53 -0.773 4.320 4.263 1.00 0.00 C ATOM 820 C LYS A 53 -0.982 3.085 3.399 1.00 0.00 C ATOM 821 O LYS A 53 -0.398 2.050 3.712 1.00 0.00 O ATOM 822 CB LYS A 53 -1.601 4.266 5.569 1.00 0.00 C ATOM 823 CG LYS A 53 -0.802 4.742 6.809 1.00 0.00 C ATOM 824 CD LYS A 53 -1.031 3.889 8.062 1.00 0.00 C ATOM 825 CE LYS A 53 -0.031 4.179 9.193 1.00 0.00 C ATOM 826 NZ LYS A 53 -0.300 5.438 9.923 1.00 0.00 N ATOM 0 H LYS A 53 -1.713 6.152 3.785 1.00 0.00 H new ATOM 0 HA LYS A 53 0.263 4.338 4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.490 4.886 5.456 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.944 3.245 5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.261 4.737 6.568 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.074 5.774 7.030 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.043 4.062 8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.966 2.835 7.791 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.047 3.350 9.900 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.974 4.221 8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.413 5.566 10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.257 6.239 9.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.246 5.395 10.353 1.00 0.00 H new ATOM 840 N MET A 54 -1.767 3.160 2.318 1.00 0.00 N ATOM 841 CA MET A 54 -2.124 2.008 1.492 1.00 0.00 C ATOM 842 C MET A 54 -0.844 1.510 0.795 1.00 0.00 C ATOM 843 O MET A 54 -0.773 0.351 0.390 1.00 0.00 O ATOM 844 CB MET A 54 -3.221 2.348 0.453 1.00 0.00 C ATOM 845 CG MET A 54 -2.765 2.384 -1.014 1.00 0.00 C ATOM 846 SD MET A 54 -3.571 3.406 -2.272 1.00 0.00 S ATOM 847 CE MET A 54 -5.310 3.380 -1.850 1.00 0.00 C ATOM 0 H MET A 54 -2.176 4.035 1.991 1.00 0.00 H new ATOM 0 HA MET A 54 -2.542 1.228 2.128 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.023 1.616 0.547 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.646 3.320 0.706 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.715 2.676 -1.004 1.00 0.00 H new ATOM 0 HG3 MET A 54 -2.807 1.357 -1.376 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.834 2.688 -2.509 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.429 3.056 -0.816 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.728 4.380 -1.967 1.00 0.00 H new ATOM 857 N VAL A 55 0.117 2.409 0.569 1.00 0.00 N ATOM 858 CA VAL A 55 1.400 2.126 -0.037 1.00 0.00 C ATOM 859 C VAL A 55 2.345 1.650 1.064 1.00 0.00 C ATOM 860 O VAL A 55 3.118 0.715 0.828 1.00 0.00 O ATOM 861 CB VAL A 55 1.894 3.403 -0.753 1.00 0.00 C ATOM 862 CG1 VAL A 55 3.305 3.240 -1.313 1.00 0.00 C ATOM 863 CG2 VAL A 55 1.001 3.741 -1.955 1.00 0.00 C ATOM 0 H VAL A 55 0.008 3.392 0.817 1.00 0.00 H new ATOM 0 HA VAL A 55 1.342 1.338 -0.788 1.00 0.00 H new ATOM 0 HB VAL A 55 1.869 4.188 0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.609 4.163 -1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.996 3.019 -0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.318 2.422 -2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.371 4.644 -2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.018 2.914 -2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.021 3.905 -1.614 1.00 0.00 H new ATOM 873 N SER A 56 2.282 2.241 2.263 1.00 0.00 N ATOM 874 CA SER A 56 3.336 2.022 3.234 1.00 0.00 C ATOM 875 C SER A 56 3.270 0.648 3.882 1.00 0.00 C ATOM 876 O SER A 56 4.328 0.073 4.151 1.00 0.00 O ATOM 877 CB SER A 56 3.401 3.149 4.248 1.00 0.00 C ATOM 878 OG SER A 56 2.274 3.228 5.081 1.00 0.00 O ATOM 0 H SER A 56 1.529 2.857 2.570 1.00 0.00 H new ATOM 0 HA SER A 56 4.277 2.035 2.685 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.289 3.018 4.866 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.517 4.095 3.719 1.00 0.00 H new ATOM 0 HG SER A 56 2.268 4.093 5.541 1.00 0.00 H new ATOM 884 N LEU A 57 2.060 0.082 4.008 1.00 0.00 N ATOM 885 CA LEU A 57 1.844 -1.339 4.305 1.00 0.00 C ATOM 886 C LEU A 57 2.722 -2.148 3.381 1.00 0.00 C ATOM 887 O LEU A 57 3.539 -2.938 3.842 1.00 0.00 O ATOM 888 CB LEU A 57 0.390 -1.863 4.169 1.00 0.00 C ATOM 889 CG LEU A 57 -0.624 -1.098 3.295 1.00 0.00 C ATOM 890 CD1 LEU A 57 -1.325 -1.997 2.264 1.00 0.00 C ATOM 891 CD2 LEU A 57 -1.772 -0.561 4.156 1.00 0.00 C ATOM 0 H LEU A 57 1.192 0.608 3.905 1.00 0.00 H new ATOM 0 HA LEU A 57 2.088 -1.450 5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.447 -2.881 3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.028 -1.924 5.174 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.040 -0.318 2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.026 -1.402 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.581 -2.437 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.865 -2.790 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.480 -0.023 3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.280 -1.392 4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.374 0.115 4.912 1.00 0.00 H new ATOM 903 N LEU A 58 2.561 -1.953 2.072 1.00 0.00 N ATOM 904 CA LEU A 58 3.322 -2.733 1.111 1.00 0.00 C ATOM 905 C LEU A 58 4.822 -2.525 1.242 1.00 0.00 C ATOM 906 O LEU A 58 5.547 -3.478 0.982 1.00 0.00 O ATOM 907 CB LEU A 58 2.819 -2.544 -0.329 1.00 0.00 C ATOM 908 CG LEU A 58 2.121 -3.832 -0.790 1.00 0.00 C ATOM 909 CD1 LEU A 58 0.852 -4.174 0.001 1.00 0.00 C ATOM 910 CD2 LEU A 58 1.753 -3.642 -2.253 1.00 0.00 C ATOM 0 H LEU A 58 1.921 -1.272 1.663 1.00 0.00 H new ATOM 0 HA LEU A 58 3.144 -3.779 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.127 -1.703 -0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.653 -2.310 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 58 2.809 -4.661 -0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.420 -5.097 -0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.103 -4.305 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.130 -3.364 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.253 -4.538 -2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.085 -2.787 -2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.657 -3.466 -2.836 1.00 0.00 H new ATOM 922 N SER A 59 5.307 -1.362 1.686 1.00 0.00 N ATOM 923 CA SER A 59 6.742 -1.160 1.852 1.00 0.00 C ATOM 924 C SER A 59 7.334 -1.983 3.002 1.00 0.00 C ATOM 925 O SER A 59 8.463 -2.459 2.888 1.00 0.00 O ATOM 926 CB SER A 59 7.066 0.333 1.990 1.00 0.00 C ATOM 927 OG SER A 59 8.370 0.584 1.490 1.00 0.00 O ATOM 0 H SER A 59 4.732 -0.557 1.933 1.00 0.00 H new ATOM 0 HA SER A 59 7.223 -1.531 0.947 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.335 0.927 1.442 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.002 0.635 3.036 1.00 0.00 H new ATOM 0 HG SER A 59 8.948 -0.184 1.682 1.00 0.00 H new ATOM 933 N VAL A 60 6.595 -2.160 4.092 1.00 0.00 N ATOM 934 CA VAL A 60 7.048 -2.949 5.241 1.00 0.00 C ATOM 935 C VAL A 60 6.790 -4.445 4.991 1.00 0.00 C ATOM 936 O VAL A 60 7.640 -5.287 5.285 1.00 0.00 O ATOM 937 CB VAL A 60 6.463 -2.373 6.555 1.00 0.00 C ATOM 938 CG1 VAL A 60 4.933 -2.430 6.675 1.00 0.00 C ATOM 939 CG2 VAL A 60 7.084 -3.042 7.785 1.00 0.00 C ATOM 0 H VAL A 60 5.663 -1.762 4.208 1.00 0.00 H new ATOM 0 HA VAL A 60 8.128 -2.870 5.365 1.00 0.00 H new ATOM 0 HB VAL A 60 6.729 -1.317 6.514 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.627 -2.003 7.630 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.483 -1.861 5.862 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.602 -3.467 6.619 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.651 -2.614 8.689 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.882 -4.113 7.758 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.161 -2.876 7.785 1.00 0.00 H new ATOM 949 N LEU A 61 5.660 -4.789 4.367 1.00 0.00 N ATOM 950 CA LEU A 61 5.292 -6.137 3.941 1.00 0.00 C ATOM 951 C LEU A 61 6.282 -6.664 2.910 1.00 0.00 C ATOM 952 O LEU A 61 6.542 -7.868 2.883 1.00 0.00 O ATOM 953 CB LEU A 61 3.848 -6.046 3.422 1.00 0.00 C ATOM 954 CG LEU A 61 3.252 -7.107 2.486 1.00 0.00 C ATOM 955 CD1 LEU A 61 3.878 -7.053 1.085 1.00 0.00 C ATOM 956 CD2 LEU A 61 3.224 -8.506 3.095 1.00 0.00 C ATOM 0 H LEU A 61 4.944 -4.100 4.135 1.00 0.00 H new ATOM 0 HA LEU A 61 5.335 -6.857 4.759 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.201 -6.001 4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.758 -5.088 2.909 1.00 0.00 H new ATOM 0 HG LEU A 61 2.201 -6.850 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.428 -7.820 0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.700 -6.072 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.951 -7.228 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.791 -9.205 2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.240 -8.818 3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.621 -8.496 4.003 1.00 0.00 H new ATOM 968 N LEU A 62 6.870 -5.779 2.091 1.00 0.00 N ATOM 969 CA LEU A 62 7.808 -6.138 1.036 1.00 0.00 C ATOM 970 C LEU A 62 8.939 -7.006 1.579 1.00 0.00 C ATOM 971 O LEU A 62 9.462 -7.830 0.838 1.00 0.00 O ATOM 972 CB LEU A 62 8.386 -4.886 0.352 1.00 0.00 C ATOM 973 CG LEU A 62 8.308 -4.930 -1.187 1.00 0.00 C ATOM 974 CD1 LEU A 62 6.866 -4.829 -1.709 1.00 0.00 C ATOM 975 CD2 LEU A 62 9.104 -3.752 -1.759 1.00 0.00 C ATOM 0 H LEU A 62 6.698 -4.775 2.151 1.00 0.00 H new ATOM 0 HA LEU A 62 7.255 -6.712 0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.850 -4.007 0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.427 -4.767 0.651 1.00 0.00 H new ATOM 0 HG LEU A 62 8.717 -5.889 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.870 -4.865 -2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.279 -5.661 -1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.425 -3.889 -1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.055 -3.774 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.680 -2.816 -1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 62 10.144 -3.827 -1.441 1.00 0.00 H new ATOM 987 N SER A 63 9.286 -6.836 2.859 1.00 0.00 N ATOM 988 CA SER A 63 10.323 -7.581 3.549 1.00 0.00 C ATOM 989 C SER A 63 10.068 -9.084 3.393 1.00 0.00 C ATOM 990 O SER A 63 10.810 -9.765 2.688 1.00 0.00 O ATOM 991 CB SER A 63 10.365 -7.109 5.012 1.00 0.00 C ATOM 992 OG SER A 63 11.639 -7.313 5.583 1.00 0.00 O ATOM 0 H SER A 63 8.830 -6.148 3.458 1.00 0.00 H new ATOM 0 HA SER A 63 11.307 -7.396 3.118 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.108 -6.051 5.062 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.615 -7.647 5.591 1.00 0.00 H new ATOM 0 HG SER A 63 11.635 -7.002 6.512 1.00 0.00 H new ATOM 998 N MET A 64 8.986 -9.599 3.985 1.00 0.00 N ATOM 999 CA MET A 64 8.672 -11.028 3.945 1.00 0.00 C ATOM 1000 C MET A 64 8.359 -11.491 2.523 1.00 0.00 C ATOM 1001 O MET A 64 8.575 -12.650 2.166 1.00 0.00 O ATOM 1002 CB MET A 64 7.519 -11.386 4.889 1.00 0.00 C ATOM 1003 CG MET A 64 6.194 -10.721 4.492 1.00 0.00 C ATOM 1004 SD MET A 64 4.718 -11.365 5.333 1.00 0.00 S ATOM 1005 CE MET A 64 4.828 -13.130 4.913 1.00 0.00 C ATOM 0 H MET A 64 8.308 -9.040 4.502 1.00 0.00 H new ATOM 0 HA MET A 64 9.562 -11.555 4.289 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.388 -12.468 4.900 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.780 -11.086 5.904 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.269 -9.652 4.693 1.00 0.00 H new ATOM 0 HG3 MET A 64 6.058 -10.835 3.417 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.826 -13.531 4.759 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.411 -13.251 4.000 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.313 -13.668 5.727 1.00 0.00 H new ATOM 1015 N GLN A 65 7.857 -10.562 1.707 1.00 0.00 N ATOM 1016 CA GLN A 65 7.611 -10.752 0.296 1.00 0.00 C ATOM 1017 C GLN A 65 8.892 -11.242 -0.409 1.00 0.00 C ATOM 1018 O GLN A 65 8.812 -11.978 -1.388 1.00 0.00 O ATOM 1019 CB GLN A 65 7.140 -9.415 -0.311 1.00 0.00 C ATOM 1020 CG GLN A 65 5.939 -9.450 -1.249 1.00 0.00 C ATOM 1021 CD GLN A 65 5.974 -10.609 -2.229 1.00 0.00 C ATOM 1022 OE1 GLN A 65 5.227 -11.564 -2.056 1.00 0.00 O ATOM 1023 NE2 GLN A 65 6.824 -10.538 -3.241 1.00 0.00 N ATOM 0 H GLN A 65 7.606 -9.628 2.032 1.00 0.00 H new ATOM 0 HA GLN A 65 6.838 -11.508 0.156 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.905 -8.737 0.510 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.978 -8.979 -0.855 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.026 -9.512 -0.657 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.895 -8.514 -1.806 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.427 -9.722 -3.344 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.876 -11.299 -3.918 1.00 0.00 H new ATOM 1032 N GLY A 66 10.064 -10.829 0.089 1.00 0.00 N ATOM 1033 CA GLY A 66 11.374 -11.155 -0.448 1.00 0.00 C ATOM 1034 C GLY A 66 12.303 -9.947 -0.544 1.00 0.00 C ATOM 1035 O GLY A 66 13.256 -9.984 -1.331 1.00 0.00 O ATOM 0 H GLY A 66 10.118 -10.232 0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.839 -11.914 0.182 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.254 -11.593 -1.439 1.00 0.00 H new ATOM 1039 N ALA A 67 12.014 -8.841 0.153 1.00 0.00 N ATOM 1040 CA ALA A 67 12.827 -7.638 0.054 1.00 0.00 C ATOM 1041 C ALA A 67 13.862 -7.610 1.164 1.00 0.00 C ATOM 1042 O ALA A 67 13.702 -8.221 2.221 1.00 0.00 O ATOM 1043 CB ALA A 67 11.981 -6.365 0.054 1.00 0.00 C ATOM 0 H ALA A 67 11.221 -8.761 0.790 1.00 0.00 H new ATOM 0 HA ALA A 67 13.343 -7.668 -0.905 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.633 -5.495 -0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.298 -6.382 -0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.407 -6.309 0.979 1.00 0.00 H new ATOM 1049 N VAL A 68 14.919 -6.849 0.912 1.00 0.00 N ATOM 1050 CA VAL A 68 16.148 -6.925 1.682 1.00 0.00 C ATOM 1051 C VAL A 68 16.379 -5.592 2.382 1.00 0.00 C ATOM 1052 O VAL A 68 16.398 -5.503 3.609 1.00 0.00 O ATOM 1053 CB VAL A 68 17.295 -7.405 0.758 1.00 0.00 C ATOM 1054 CG1 VAL A 68 16.970 -8.815 0.242 1.00 0.00 C ATOM 1055 CG2 VAL A 68 17.567 -6.537 -0.489 1.00 0.00 C ATOM 0 H VAL A 68 14.945 -6.158 0.162 1.00 0.00 H new ATOM 0 HA VAL A 68 16.093 -7.665 2.481 1.00 0.00 H new ATOM 0 HB VAL A 68 18.185 -7.353 1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.774 -9.158 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 68 16.870 -9.497 1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 68 16.035 -8.791 -0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 68 18.389 -6.968 -1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.672 -6.503 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.832 -5.526 -0.178 1.00 0.00 H new ATOM 1065 N ASP A 69 16.489 -4.526 1.600 1.00 0.00 N ATOM 1066 CA ASP A 69 16.941 -3.208 2.007 1.00 0.00 C ATOM 1067 C ASP A 69 15.912 -2.276 1.389 1.00 0.00 C ATOM 1068 O ASP A 69 16.143 -1.677 0.339 1.00 0.00 O ATOM 1069 CB ASP A 69 18.374 -2.962 1.479 1.00 0.00 C ATOM 1070 CG ASP A 69 19.424 -3.972 1.933 1.00 0.00 C ATOM 1071 OD1 ASP A 69 19.636 -4.093 3.156 1.00 0.00 O ATOM 1072 OD2 ASP A 69 20.092 -4.592 1.070 1.00 0.00 O ATOM 0 H ASP A 69 16.251 -4.563 0.609 1.00 0.00 H new ATOM 0 HA ASP A 69 17.006 -3.066 3.086 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.345 -2.959 0.389 1.00 0.00 H new ATOM 0 HB3 ASP A 69 18.692 -1.968 1.792 1.00 0.00 H new ATOM 1077 N ILE A 70 14.719 -2.240 1.986 1.00 0.00 N ATOM 1078 CA ILE A 70 13.608 -1.424 1.506 1.00 0.00 C ATOM 1079 C ILE A 70 12.754 -0.886 2.655 1.00 0.00 C ATOM 1080 O ILE A 70 11.714 -0.278 2.401 1.00 0.00 O ATOM 1081 CB ILE A 70 12.796 -2.210 0.450 1.00 0.00 C ATOM 1082 CG1 ILE A 70 12.151 -1.305 -0.622 1.00 0.00 C ATOM 1083 CG2 ILE A 70 11.738 -3.117 1.099 1.00 0.00 C ATOM 1084 CD1 ILE A 70 13.189 -0.639 -1.535 1.00 0.00 C ATOM 0 H ILE A 70 14.498 -2.781 2.822 1.00 0.00 H new ATOM 0 HA ILE A 70 14.007 -0.537 1.014 1.00 0.00 H new ATOM 0 HB ILE A 70 13.522 -2.840 -0.063 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.466 -1.898 -1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.556 -0.534 -0.132 1.00 0.00 H new ATOM 0 HG21 ILE A 70 11.190 -3.651 0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 70 12.228 -3.835 1.756 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.044 -2.509 1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.680 -0.015 -2.269 1.00 0.00 H new ATOM 0 HD12 ILE A 70 13.858 -0.022 -0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.767 -1.407 -2.050 1.00 0.00 H new ATOM 1096 N ASN A 71 13.170 -1.088 3.912 1.00 0.00 N ATOM 1097 CA ASN A 71 12.651 -0.242 4.972 1.00 0.00 C ATOM 1098 C ASN A 71 13.469 1.038 4.953 1.00 0.00 C ATOM 1099 O ASN A 71 13.011 2.017 4.382 1.00 0.00 O ATOM 1100 CB ASN A 71 12.546 -0.943 6.338 1.00 0.00 C ATOM 1101 CG ASN A 71 11.166 -0.644 6.919 1.00 0.00 C ATOM 1102 OD1 ASN A 71 10.214 -1.322 6.544 1.00 0.00 O ATOM 1103 ND2 ASN A 71 10.986 0.386 7.734 1.00 0.00 N ATOM 0 H ASN A 71 13.837 -1.802 4.204 1.00 0.00 H new ATOM 0 HA ASN A 71 11.605 0.005 4.789 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.687 -2.018 6.226 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.327 -0.587 7.010 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.048 0.623 8.057 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.786 0.941 8.038 1.00 0.00 H new ATOM 1110 N ARG A 72 14.700 1.039 5.475 1.00 0.00 N ATOM 1111 CA ARG A 72 15.373 2.282 5.899 1.00 0.00 C ATOM 1112 C ARG A 72 15.528 3.312 4.785 1.00 0.00 C ATOM 1113 O ARG A 72 14.973 4.404 4.858 1.00 0.00 O ATOM 1114 CB ARG A 72 16.697 1.966 6.560 1.00 0.00 C ATOM 1115 CG ARG A 72 16.512 1.083 7.800 1.00 0.00 C ATOM 1116 CD ARG A 72 15.307 1.360 8.706 1.00 0.00 C ATOM 1117 NE ARG A 72 15.330 0.506 9.903 1.00 0.00 N ATOM 1118 CZ ARG A 72 14.361 0.435 10.826 1.00 0.00 C ATOM 1119 NH1 ARG A 72 13.272 1.187 10.750 1.00 0.00 N ATOM 1120 NH2 ARG A 72 14.478 -0.406 11.848 1.00 0.00 N ATOM 0 H ARG A 72 15.255 0.195 5.616 1.00 0.00 H new ATOM 0 HA ARG A 72 14.718 2.755 6.630 1.00 0.00 H new ATOM 0 HB2 ARG A 72 17.349 1.461 5.847 1.00 0.00 H new ATOM 0 HB3 ARG A 72 17.193 2.894 6.844 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.448 0.047 7.466 1.00 0.00 H new ATOM 0 HG3 ARG A 72 17.413 1.167 8.407 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.307 2.408 9.005 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.385 1.187 8.151 1.00 0.00 H new ATOM 0 HE ARG A 72 16.152 -0.081 10.042 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.156 1.840 9.975 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.550 1.113 11.467 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.305 -0.997 11.930 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.741 -0.460 12.551 1.00 0.00 H new ATOM 1134 N LEU A 73 16.223 2.965 3.713 1.00 0.00 N ATOM 1135 CA LEU A 73 16.398 3.818 2.543 1.00 0.00 C ATOM 1136 C LEU A 73 15.080 4.132 1.839 1.00 0.00 C ATOM 1137 O LEU A 73 15.048 5.045 1.016 1.00 0.00 O ATOM 1138 CB LEU A 73 17.410 3.203 1.561 1.00 0.00 C ATOM 1139 CG LEU A 73 17.105 1.756 1.118 1.00 0.00 C ATOM 1140 CD1 LEU A 73 17.912 1.441 -0.142 1.00 0.00 C ATOM 1141 CD2 LEU A 73 17.461 0.738 2.217 1.00 0.00 C ATOM 0 H LEU A 73 16.692 2.063 3.628 1.00 0.00 H new ATOM 0 HA LEU A 73 16.794 4.767 2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.460 3.834 0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.397 3.224 2.022 1.00 0.00 H new ATOM 0 HG LEU A 73 16.036 1.678 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 73 17.703 0.420 -0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.633 2.135 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.976 1.543 0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 73 17.232 -0.269 1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.524 0.809 2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 73 16.879 0.952 3.114 1.00 0.00 H new ATOM 1153 N CYS A 74 13.992 3.419 2.144 1.00 0.00 N ATOM 1154 CA CYS A 74 12.680 3.764 1.648 1.00 0.00 C ATOM 1155 C CYS A 74 12.053 4.786 2.594 1.00 0.00 C ATOM 1156 O CYS A 74 11.375 5.673 2.091 1.00 0.00 O ATOM 1157 CB CYS A 74 11.830 2.501 1.522 1.00 0.00 C ATOM 1158 SG CYS A 74 10.439 2.766 0.403 1.00 0.00 S ATOM 0 H CYS A 74 14.008 2.592 2.740 1.00 0.00 H new ATOM 0 HA CYS A 74 12.746 4.211 0.656 1.00 0.00 H new ATOM 0 HB2 CYS A 74 12.445 1.680 1.155 1.00 0.00 H new ATOM 0 HB3 CYS A 74 11.460 2.208 2.505 1.00 0.00 H new ATOM 0 HG CYS A 74 9.478 1.943 0.702 1.00 0.00 H new ATOM 1164 N GLU A 75 12.296 4.723 3.913 1.00 0.00 N ATOM 1165 CA GLU A 75 11.926 5.737 4.914 1.00 0.00 C ATOM 1166 C GLU A 75 12.441 7.115 4.476 1.00 0.00 C ATOM 1167 O GLU A 75 11.789 8.136 4.668 1.00 0.00 O ATOM 1168 CB GLU A 75 12.338 5.340 6.351 1.00 0.00 C ATOM 1169 CG GLU A 75 11.820 3.939 6.713 1.00 0.00 C ATOM 1170 CD GLU A 75 11.647 3.663 8.207 1.00 0.00 C ATOM 1171 OE1 GLU A 75 10.719 4.209 8.852 1.00 0.00 O ATOM 1172 OE2 GLU A 75 12.372 2.784 8.723 1.00 0.00 O ATOM 0 H GLU A 75 12.778 3.927 4.330 1.00 0.00 H new ATOM 0 HA GLU A 75 10.839 5.798 4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 75 13.424 5.363 6.440 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.945 6.070 7.059 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.859 3.788 6.221 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.508 3.200 6.303 1.00 0.00 H new ATOM 1179 N GLU A 76 13.542 7.119 3.734 1.00 0.00 N ATOM 1180 CA GLU A 76 14.233 8.281 3.158 1.00 0.00 C ATOM 1181 C GLU A 76 13.528 8.848 1.912 1.00 0.00 C ATOM 1182 O GLU A 76 13.968 9.824 1.297 1.00 0.00 O ATOM 1183 CB GLU A 76 15.670 7.822 2.809 1.00 0.00 C ATOM 1184 CG GLU A 76 16.780 8.676 3.434 1.00 0.00 C ATOM 1185 CD GLU A 76 18.129 7.941 3.453 1.00 0.00 C ATOM 1186 OE1 GLU A 76 18.203 6.805 3.979 1.00 0.00 O ATOM 1187 OE2 GLU A 76 19.160 8.545 3.060 1.00 0.00 O ATOM 0 H GLU A 76 14.016 6.247 3.498 1.00 0.00 H new ATOM 0 HA GLU A 76 14.233 9.094 3.884 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.797 6.789 3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.788 7.832 1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 76 16.881 9.606 2.874 1.00 0.00 H new ATOM 0 HG3 GLU A 76 16.500 8.946 4.452 1.00 0.00 H new ATOM 1194 N MET A 77 12.435 8.216 1.507 1.00 0.00 N ATOM 1195 CA MET A 77 11.486 8.660 0.507 1.00 0.00 C ATOM 1196 C MET A 77 10.115 8.772 1.123 1.00 0.00 C ATOM 1197 O MET A 77 9.528 9.832 0.975 1.00 0.00 O ATOM 1198 CB MET A 77 11.555 7.750 -0.718 1.00 0.00 C ATOM 1199 CG MET A 77 12.725 8.137 -1.621 1.00 0.00 C ATOM 1200 SD MET A 77 12.712 7.249 -3.195 1.00 0.00 S ATOM 1201 CE MET A 77 14.150 8.033 -3.966 1.00 0.00 C ATOM 0 H MET A 77 12.173 7.312 1.901 1.00 0.00 H new ATOM 0 HA MET A 77 11.738 9.658 0.149 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.664 6.713 -0.400 1.00 0.00 H new ATOM 0 HB3 MET A 77 10.622 7.816 -1.277 1.00 0.00 H new ATOM 0 HG2 MET A 77 12.692 9.209 -1.813 1.00 0.00 H new ATOM 0 HG3 MET A 77 13.662 7.935 -1.102 1.00 0.00 H new ATOM 0 HE1 MET A 77 14.306 7.611 -4.959 1.00 0.00 H new ATOM 0 HE2 MET A 77 13.978 9.106 -4.051 1.00 0.00 H new ATOM 0 HE3 MET A 77 15.034 7.855 -3.353 1.00 0.00 H new ATOM 1211 N LEU A 78 9.596 7.721 1.750 1.00 0.00 N ATOM 1212 CA LEU A 78 8.218 7.602 2.184 1.00 0.00 C ATOM 1213 C LEU A 78 7.959 8.615 3.289 1.00 0.00 C ATOM 1214 O LEU A 78 7.063 9.432 3.157 1.00 0.00 O ATOM 1215 CB LEU A 78 7.868 6.141 2.469 1.00 0.00 C ATOM 1216 CG LEU A 78 8.387 5.589 3.786 1.00 0.00 C ATOM 1217 CD1 LEU A 78 7.288 5.730 4.825 1.00 0.00 C ATOM 1218 CD2 LEU A 78 8.889 4.162 3.605 1.00 0.00 C ATOM 0 H LEU A 78 10.152 6.897 1.977 1.00 0.00 H new ATOM 0 HA LEU A 78 7.511 7.868 1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.783 6.036 2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.260 5.527 1.658 1.00 0.00 H new ATOM 0 HG LEU A 78 9.250 6.153 4.140 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.638 5.340 5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.026 6.782 4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.410 5.170 4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.257 3.782 4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.073 3.531 3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.697 4.151 2.873 1.00 0.00 H new ATOM 1230 N ASP A 79 8.800 8.653 4.311 1.00 0.00 N ATOM 1231 CA ASP A 79 8.696 9.680 5.337 1.00 0.00 C ATOM 1232 C ASP A 79 8.896 11.031 4.675 1.00 0.00 C ATOM 1233 O ASP A 79 8.062 11.914 4.772 1.00 0.00 O ATOM 1234 CB ASP A 79 9.696 9.436 6.455 1.00 0.00 C ATOM 1235 CG ASP A 79 9.241 10.053 7.777 1.00 0.00 C ATOM 1236 OD1 ASP A 79 9.162 11.299 7.875 1.00 0.00 O ATOM 1237 OD2 ASP A 79 9.030 9.294 8.747 1.00 0.00 O ATOM 0 H ASP A 79 9.560 7.987 4.452 1.00 0.00 H new ATOM 0 HA ASP A 79 7.710 9.653 5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.838 8.363 6.586 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.663 9.854 6.174 1.00 0.00 H new ATOM 1242 N ASN A 80 9.920 11.181 3.845 1.00 0.00 N ATOM 1243 CA ASN A 80 10.119 12.454 3.155 1.00 0.00 C ATOM 1244 C ASN A 80 9.088 12.782 2.048 1.00 0.00 C ATOM 1245 O ASN A 80 9.269 13.757 1.314 1.00 0.00 O ATOM 1246 CB ASN A 80 11.509 12.405 2.579 1.00 0.00 C ATOM 1247 CG ASN A 80 12.067 13.777 2.212 1.00 0.00 C ATOM 1248 OD1 ASN A 80 11.970 14.745 2.963 1.00 0.00 O ATOM 1249 ND2 ASN A 80 12.701 13.892 1.058 1.00 0.00 N ATOM 0 H ASN A 80 10.610 10.460 3.635 1.00 0.00 H new ATOM 0 HA ASN A 80 9.979 13.256 3.880 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.176 11.932 3.300 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.503 11.775 1.690 1.00 0.00 H new ATOM 0 HD21 ASN A 80 13.112 14.786 0.789 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.780 13.087 0.437 1.00 0.00 H new ATOM 1256 N ARG A 81 8.053 11.961 1.820 1.00 0.00 N ATOM 1257 CA ARG A 81 6.964 12.244 0.882 1.00 0.00 C ATOM 1258 C ARG A 81 6.002 13.244 1.498 1.00 0.00 C ATOM 1259 O ARG A 81 5.555 14.147 0.795 1.00 0.00 O ATOM 1260 CB ARG A 81 6.175 10.982 0.471 1.00 0.00 C ATOM 1261 CG ARG A 81 6.429 10.525 -0.968 1.00 0.00 C ATOM 1262 CD ARG A 81 7.151 9.173 -1.006 1.00 0.00 C ATOM 1263 NE ARG A 81 7.871 8.992 -2.282 1.00 0.00 N ATOM 1264 CZ ARG A 81 8.993 9.633 -2.647 1.00 0.00 C ATOM 1265 NH1 ARG A 81 9.626 10.416 -1.776 1.00 0.00 N ATOM 1266 NH2 ARG A 81 9.466 9.498 -3.882 1.00 0.00 N ATOM 0 H ARG A 81 7.950 11.064 2.294 1.00 0.00 H new ATOM 0 HA ARG A 81 7.427 12.650 -0.018 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.433 10.169 1.150 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.110 11.176 0.596 1.00 0.00 H new ATOM 0 HG2 ARG A 81 5.481 10.448 -1.500 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.027 11.273 -1.489 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.854 9.109 -0.176 1.00 0.00 H new ATOM 0 HD3 ARG A 81 6.429 8.367 -0.875 1.00 0.00 H new ATOM 0 HE ARG A 81 7.482 8.321 -2.945 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.259 10.529 -0.831 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.478 10.903 -2.054 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.976 8.907 -4.554 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.318 9.986 -4.158 1.00 0.00 H new ATOM 1280 N ALA A 82 5.638 13.031 2.762 1.00 0.00 N ATOM 1281 CA ALA A 82 4.656 13.862 3.454 1.00 0.00 C ATOM 1282 C ALA A 82 4.873 13.925 4.968 1.00 0.00 C ATOM 1283 O ALA A 82 4.048 14.499 5.678 1.00 0.00 O ATOM 1284 CB ALA A 82 3.250 13.329 3.159 1.00 0.00 C ATOM 0 H ALA A 82 6.016 12.277 3.335 1.00 0.00 H new ATOM 0 HA ALA A 82 4.776 14.878 3.079 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.512 13.945 3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.066 13.362 2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.170 12.300 3.509 1.00 0.00 H new ATOM 1290 N THR A 83 5.943 13.319 5.487 1.00 0.00 N ATOM 1291 CA THR A 83 6.177 12.963 6.896 1.00 0.00 C ATOM 1292 C THR A 83 5.151 11.977 7.475 1.00 0.00 C ATOM 1293 O THR A 83 5.139 11.732 8.682 1.00 0.00 O ATOM 1294 CB THR A 83 6.430 14.217 7.763 1.00 0.00 C ATOM 1295 OG1 THR A 83 5.261 14.982 7.970 1.00 0.00 O ATOM 1296 CG2 THR A 83 7.467 15.138 7.116 1.00 0.00 C ATOM 0 H THR A 83 6.727 13.043 4.895 1.00 0.00 H new ATOM 0 HA THR A 83 7.103 12.388 6.923 1.00 0.00 H new ATOM 0 HB THR A 83 6.789 13.838 8.720 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.547 14.653 7.385 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.624 16.011 7.749 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.408 14.601 6.999 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.109 15.459 6.138 1.00 0.00 H new ATOM 1304 N LEU A 84 4.279 11.434 6.618 1.00 0.00 N ATOM 1305 CA LEU A 84 2.995 10.859 6.993 1.00 0.00 C ATOM 1306 C LEU A 84 2.771 9.460 6.414 1.00 0.00 C ATOM 1307 O LEU A 84 1.960 8.732 6.984 1.00 0.00 O ATOM 1308 CB LEU A 84 1.867 11.809 6.569 1.00 0.00 C ATOM 1309 CG LEU A 84 1.068 12.493 7.696 1.00 0.00 C ATOM 1310 CD1 LEU A 84 0.355 11.501 8.616 1.00 0.00 C ATOM 1311 CD2 LEU A 84 1.932 13.439 8.539 1.00 0.00 C ATOM 0 H LEU A 84 4.459 11.384 5.615 1.00 0.00 H new ATOM 0 HA LEU A 84 2.994 10.740 8.077 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.298 12.587 5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.167 11.249 5.949 1.00 0.00 H new ATOM 0 HG LEU A 84 0.309 13.079 7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.189 12.046 9.387 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.345 10.902 8.033 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.090 10.846 9.084 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.320 13.894 9.318 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.745 12.877 8.998 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.346 14.220 7.901 1.00 0.00 H new ATOM 1323 N GLN A 85 3.428 9.092 5.306 1.00 0.00 N ATOM 1324 CA GLN A 85 3.312 7.797 4.623 1.00 0.00 C ATOM 1325 C GLN A 85 3.475 6.650 5.622 1.00 0.00 C ATOM 1326 O GLN A 85 2.635 5.725 5.604 1.00 0.00 O ATOM 1327 CB GLN A 85 4.309 7.698 3.449 1.00 0.00 C ATOM 1328 CG GLN A 85 3.729 7.530 2.028 1.00 0.00 C ATOM 1329 CD GLN A 85 4.258 6.279 1.328 1.00 0.00 C ATOM 1330 OE1 GLN A 85 5.278 6.433 0.502 1.00 0.00 O flip ATOM 1331 NE2 GLN A 85 3.793 5.162 1.496 1.00 0.00 N flip ATOM 0 H GLN A 85 4.085 9.718 4.840 1.00 0.00 H new ATOM 0 HA GLN A 85 2.313 7.716 4.194 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.925 8.597 3.456 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.972 6.855 3.642 1.00 0.00 H new ATOM 0 HG2 GLN A 85 2.642 7.479 2.086 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.975 8.409 1.432 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.006 5.027 2.130 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.192 4.364 1.002 1.00 0.00 H new