USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 702 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 21 LYS NZ :NH3+ 171:sc= 1.09 (180deg=0) USER MOD Set 1.2: A 68 GLN : amide:sc= 0.379 K(o=1.5,f=-5.7!) USER MOD Single : A 1 MET CE :methyl -146:sc= -0.0562 (180deg=-0.51) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.0207 (180deg=-0.00226) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 64:sc= 0.584 USER MOD Single : A 26 GLN : amide:sc= -0.878 K(o=-0.88,f=-3.7!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 79:sc= 1.22 USER MOD Single : A 33 GLN : amide:sc= -0.675 K(o=-0.68,f=-5.5!) USER MOD Single : A 34 SER OG : rot 80:sc= 1.2 USER MOD Single : A 35 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.43) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.411 K(o=0.41,f=-9.4!) USER MOD Single : A 42 LYS NZ :NH3+ 160:sc= -0.106 (180deg=-0.505) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.69 X(o=-0.69,f=-0.99) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 150:sc= -0.19 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 61 SER OG : rot 180:sc= -0.904 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 71:sc= 1.15 USER MOD Single : A 71 SER OG : rot 91:sc= 1.23 USER MOD Single : A 85 SER OG : rot 102:sc= 0.326 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.321 -16.061 2.293 1.00 0.00 N ATOM 2 CA MET A 1 -5.474 -15.541 3.016 1.00 0.00 C ATOM 3 C MET A 1 -6.713 -16.296 2.632 1.00 0.00 C ATOM 4 O MET A 1 -6.905 -16.638 1.457 1.00 0.00 O ATOM 5 CB MET A 1 -5.675 -14.038 2.759 1.00 0.00 C ATOM 6 CG MET A 1 -4.633 -13.145 3.417 1.00 0.00 C ATOM 7 SD MET A 1 -4.693 -13.205 5.227 1.00 0.00 S ATOM 8 CE MET A 1 -6.311 -12.493 5.554 1.00 0.00 C ATOM 0 H1 MET A 1 -3.728 -16.619 2.940 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.645 -16.666 1.511 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.765 -15.270 1.911 1.00 0.00 H new ATOM 0 HA MET A 1 -5.283 -15.677 4.081 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.662 -13.860 1.684 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.663 -13.749 3.118 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.640 -13.446 3.081 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.783 -12.117 3.088 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.277 -11.922 6.482 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.591 -11.833 4.733 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.048 -13.291 5.646 1.00 0.00 H new ATOM 20 N GLU A 2 -7.533 -16.590 3.622 1.00 0.00 N ATOM 21 CA GLU A 2 -8.792 -17.264 3.416 1.00 0.00 C ATOM 22 C GLU A 2 -9.745 -16.367 2.590 1.00 0.00 C ATOM 23 O GLU A 2 -10.260 -16.820 1.565 1.00 0.00 O ATOM 24 CB GLU A 2 -9.379 -17.686 4.762 1.00 0.00 C ATOM 25 CG GLU A 2 -10.703 -18.410 4.711 1.00 0.00 C ATOM 26 CD GLU A 2 -11.148 -18.796 6.090 1.00 0.00 C ATOM 27 OE1 GLU A 2 -11.509 -17.911 6.879 1.00 0.00 O ATOM 28 OE2 GLU A 2 -11.081 -19.988 6.445 1.00 0.00 O ATOM 0 H GLU A 2 -7.339 -16.365 4.598 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.641 -18.175 2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.656 -18.328 5.266 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.498 -16.795 5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.455 -17.772 4.246 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -10.613 -19.301 4.090 1.00 0.00 H new ATOM 35 N PRO A 3 -10.001 -15.076 3.002 1.00 0.00 N ATOM 36 CA PRO A 3 -10.743 -14.159 2.158 1.00 0.00 C ATOM 37 C PRO A 3 -9.926 -13.865 0.895 1.00 0.00 C ATOM 38 O PRO A 3 -8.752 -13.481 0.993 1.00 0.00 O ATOM 39 CB PRO A 3 -10.887 -12.883 3.010 1.00 0.00 C ATOM 40 CG PRO A 3 -9.821 -12.981 4.039 1.00 0.00 C ATOM 41 CD PRO A 3 -9.634 -14.443 4.295 1.00 0.00 C ATOM 0 HA PRO A 3 -11.709 -14.553 1.842 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.766 -11.987 2.401 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.874 -12.825 3.469 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.896 -12.524 3.688 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.109 -12.458 4.951 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.606 -14.672 4.576 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.272 -14.792 5.107 1.00 0.00 H new ATOM 49 N PRO A 4 -10.509 -14.092 -0.293 1.00 0.00 N ATOM 50 CA PRO A 4 -9.830 -13.859 -1.576 1.00 0.00 C ATOM 51 C PRO A 4 -9.179 -12.449 -1.733 1.00 0.00 C ATOM 52 O PRO A 4 -8.029 -12.365 -2.182 1.00 0.00 O ATOM 53 CB PRO A 4 -10.921 -14.083 -2.628 1.00 0.00 C ATOM 54 CG PRO A 4 -11.924 -14.952 -1.954 1.00 0.00 C ATOM 55 CD PRO A 4 -11.874 -14.621 -0.488 1.00 0.00 C ATOM 0 HA PRO A 4 -8.978 -14.533 -1.672 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -11.365 -13.139 -2.945 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.518 -14.562 -3.520 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.921 -14.774 -2.356 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.696 -16.005 -2.120 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -12.631 -13.885 -0.218 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -12.053 -15.503 0.128 1.00 0.00 H new ATOM 63 N PRO A 5 -9.877 -11.315 -1.395 1.00 0.00 N ATOM 64 CA PRO A 5 -9.290 -10.000 -1.547 1.00 0.00 C ATOM 65 C PRO A 5 -8.208 -9.681 -0.514 1.00 0.00 C ATOM 66 O PRO A 5 -8.478 -9.459 0.687 1.00 0.00 O ATOM 67 CB PRO A 5 -10.465 -9.053 -1.418 1.00 0.00 C ATOM 68 CG PRO A 5 -11.428 -9.776 -0.558 1.00 0.00 C ATOM 69 CD PRO A 5 -11.271 -11.219 -0.894 1.00 0.00 C ATOM 0 HA PRO A 5 -8.768 -9.918 -2.500 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -10.165 -8.106 -0.969 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.897 -8.822 -2.391 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -11.222 -9.596 0.497 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -12.448 -9.440 -0.745 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -11.427 -11.853 -0.021 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -11.990 -11.535 -1.650 1.00 0.00 H new ATOM 77 N LYS A 6 -7.005 -9.707 -0.989 1.00 0.00 N ATOM 78 CA LYS A 6 -5.848 -9.324 -0.243 1.00 0.00 C ATOM 79 C LYS A 6 -5.169 -8.183 -0.949 1.00 0.00 C ATOM 80 O LYS A 6 -5.268 -8.054 -2.175 1.00 0.00 O ATOM 81 CB LYS A 6 -4.892 -10.516 0.072 1.00 0.00 C ATOM 82 CG LYS A 6 -4.876 -11.691 -0.930 1.00 0.00 C ATOM 83 CD LYS A 6 -4.455 -11.313 -2.347 1.00 0.00 C ATOM 84 CE LYS A 6 -4.434 -12.556 -3.232 1.00 0.00 C ATOM 85 NZ LYS A 6 -4.164 -12.256 -4.659 1.00 0.00 N ATOM 0 H LYS A 6 -6.792 -10.006 -1.941 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.166 -8.983 0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.878 -10.124 0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.157 -10.912 1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.199 -12.460 -0.557 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.872 -12.133 -0.967 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.146 -10.576 -2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.468 -10.850 -2.331 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.673 -13.244 -2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.393 -13.068 -3.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.163 -13.141 -5.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.903 -11.623 -5.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.237 -11.794 -4.747 1.00 0.00 H new ATOM 99 N LEU A 7 -4.520 -7.348 -0.201 1.00 0.00 N ATOM 100 CA LEU A 7 -3.958 -6.145 -0.749 1.00 0.00 C ATOM 101 C LEU A 7 -2.626 -6.417 -1.406 1.00 0.00 C ATOM 102 O LEU A 7 -1.598 -6.543 -0.737 1.00 0.00 O ATOM 103 CB LEU A 7 -3.850 -5.024 0.308 1.00 0.00 C ATOM 104 CG LEU A 7 -5.168 -4.462 0.904 1.00 0.00 C ATOM 105 CD1 LEU A 7 -6.114 -3.968 -0.175 1.00 0.00 C ATOM 106 CD2 LEU A 7 -5.865 -5.454 1.822 1.00 0.00 C ATOM 0 H LEU A 7 -4.363 -7.475 0.799 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.643 -5.789 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.243 -5.398 1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.304 -4.194 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.879 -3.606 1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.023 -3.583 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.632 -3.174 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.367 -4.792 -0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.781 -5.009 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.109 -6.357 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.205 -5.708 2.651 1.00 0.00 H new ATOM 118 N VAL A 8 -2.673 -6.575 -2.703 1.00 0.00 N ATOM 119 CA VAL A 8 -1.496 -6.814 -3.496 1.00 0.00 C ATOM 120 C VAL A 8 -0.926 -5.482 -3.940 1.00 0.00 C ATOM 121 O VAL A 8 -1.590 -4.720 -4.643 1.00 0.00 O ATOM 122 CB VAL A 8 -1.815 -7.677 -4.750 1.00 0.00 C ATOM 123 CG1 VAL A 8 -0.550 -7.993 -5.542 1.00 0.00 C ATOM 124 CG2 VAL A 8 -2.530 -8.957 -4.355 1.00 0.00 C ATOM 0 H VAL A 8 -3.537 -6.541 -3.243 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.776 -7.360 -2.886 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.476 -7.096 -5.392 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.807 -8.597 -6.412 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.085 -7.064 -5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.147 -8.544 -4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.743 -9.545 -5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.896 -9.535 -3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.465 -8.711 -3.851 1.00 0.00 H new ATOM 134 N LEU A 9 0.264 -5.202 -3.507 1.00 0.00 N ATOM 135 CA LEU A 9 0.950 -3.990 -3.855 1.00 0.00 C ATOM 136 C LEU A 9 2.139 -4.335 -4.712 1.00 0.00 C ATOM 137 O LEU A 9 2.936 -5.201 -4.345 1.00 0.00 O ATOM 138 CB LEU A 9 1.434 -3.258 -2.594 1.00 0.00 C ATOM 139 CG LEU A 9 0.361 -2.830 -1.590 1.00 0.00 C ATOM 140 CD1 LEU A 9 1.000 -2.148 -0.394 1.00 0.00 C ATOM 141 CD2 LEU A 9 -0.648 -1.908 -2.247 1.00 0.00 C ATOM 0 H LEU A 9 0.797 -5.817 -2.892 1.00 0.00 H new ATOM 0 HA LEU A 9 0.264 -3.337 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.144 -3.904 -2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.981 -2.369 -2.906 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.163 -3.721 -1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.225 -1.849 0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.688 -2.838 0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.547 -1.266 -0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.402 -1.615 -1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.140 -1.019 -2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.128 -2.426 -3.077 1.00 0.00 H new ATOM 153 N ASP A 10 2.240 -3.714 -5.852 1.00 0.00 N ATOM 154 CA ASP A 10 3.387 -3.924 -6.721 1.00 0.00 C ATOM 155 C ASP A 10 4.515 -3.038 -6.231 1.00 0.00 C ATOM 156 O ASP A 10 4.406 -1.815 -6.280 1.00 0.00 O ATOM 157 CB ASP A 10 3.049 -3.579 -8.168 1.00 0.00 C ATOM 158 CG ASP A 10 4.148 -3.981 -9.129 1.00 0.00 C ATOM 159 OD1 ASP A 10 5.223 -3.373 -9.130 1.00 0.00 O ATOM 160 OD2 ASP A 10 3.938 -4.914 -9.931 1.00 0.00 O ATOM 0 H ASP A 10 1.548 -3.056 -6.211 1.00 0.00 H new ATOM 0 HA ASP A 10 3.679 -4.974 -6.691 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.122 -4.078 -8.451 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.872 -2.507 -8.251 1.00 0.00 H new ATOM 165 N LEU A 11 5.589 -3.640 -5.773 1.00 0.00 N ATOM 166 CA LEU A 11 6.676 -2.905 -5.148 1.00 0.00 C ATOM 167 C LEU A 11 7.558 -2.226 -6.170 1.00 0.00 C ATOM 168 O LEU A 11 8.171 -1.185 -5.884 1.00 0.00 O ATOM 169 CB LEU A 11 7.512 -3.819 -4.259 1.00 0.00 C ATOM 170 CG LEU A 11 6.758 -4.561 -3.156 1.00 0.00 C ATOM 171 CD1 LEU A 11 7.725 -5.347 -2.297 1.00 0.00 C ATOM 172 CD2 LEU A 11 5.940 -3.596 -2.310 1.00 0.00 C ATOM 0 H LEU A 11 5.738 -4.648 -5.821 1.00 0.00 H new ATOM 0 HA LEU A 11 6.222 -2.130 -4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.005 -4.556 -4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.297 -3.222 -3.795 1.00 0.00 H new ATOM 0 HG LEU A 11 6.065 -5.260 -3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.175 -5.871 -1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.255 -6.072 -2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.443 -4.666 -1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.413 -4.150 -1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.603 -2.865 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.216 -3.081 -2.942 1.00 0.00 H new ATOM 184 N GLU A 12 7.595 -2.774 -7.354 1.00 0.00 N ATOM 185 CA GLU A 12 8.414 -2.232 -8.410 1.00 0.00 C ATOM 186 C GLU A 12 7.767 -0.957 -8.928 1.00 0.00 C ATOM 187 O GLU A 12 8.427 0.078 -9.075 1.00 0.00 O ATOM 188 CB GLU A 12 8.593 -3.270 -9.520 1.00 0.00 C ATOM 189 CG GLU A 12 9.262 -4.563 -9.050 1.00 0.00 C ATOM 190 CD GLU A 12 10.722 -4.394 -8.677 1.00 0.00 C ATOM 191 OE1 GLU A 12 11.047 -3.627 -7.754 1.00 0.00 O ATOM 192 OE2 GLU A 12 11.590 -5.028 -9.322 1.00 0.00 O ATOM 0 H GLU A 12 7.063 -3.604 -7.616 1.00 0.00 H new ATOM 0 HA GLU A 12 9.407 -1.988 -8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.617 -3.509 -9.943 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.189 -2.833 -10.321 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.719 -4.950 -8.188 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.182 -5.311 -9.839 1.00 0.00 H new ATOM 199 N ARG A 13 6.459 -1.014 -9.131 1.00 0.00 N ATOM 200 CA ARG A 13 5.696 0.138 -9.562 1.00 0.00 C ATOM 201 C ARG A 13 5.619 1.151 -8.415 1.00 0.00 C ATOM 202 O ARG A 13 5.566 2.359 -8.640 1.00 0.00 O ATOM 203 CB ARG A 13 4.288 -0.278 -10.030 1.00 0.00 C ATOM 204 CG ARG A 13 3.462 0.850 -10.653 1.00 0.00 C ATOM 205 CD ARG A 13 4.142 1.418 -11.898 1.00 0.00 C ATOM 206 NE ARG A 13 4.306 0.411 -12.947 1.00 0.00 N ATOM 207 CZ ARG A 13 5.417 0.195 -13.661 1.00 0.00 C ATOM 208 NH1 ARG A 13 6.553 0.836 -13.371 1.00 0.00 N ATOM 209 NH2 ARG A 13 5.406 -0.692 -14.641 1.00 0.00 N ATOM 0 H ARG A 13 5.902 -1.859 -9.001 1.00 0.00 H new ATOM 0 HA ARG A 13 6.196 0.601 -10.412 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.385 -1.084 -10.758 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.741 -0.682 -9.178 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.473 0.476 -10.916 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.318 1.645 -9.921 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.553 2.250 -12.284 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.118 1.819 -11.626 1.00 0.00 H new ATOM 0 HE ARG A 13 3.500 -0.180 -13.153 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.581 1.500 -12.597 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.392 0.662 -13.924 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.552 -1.209 -14.851 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.251 -0.859 -15.187 1.00 0.00 H new ATOM 223 N LEU A 14 5.665 0.645 -7.189 1.00 0.00 N ATOM 224 CA LEU A 14 5.662 1.483 -5.990 1.00 0.00 C ATOM 225 C LEU A 14 6.933 2.326 -5.937 1.00 0.00 C ATOM 226 O LEU A 14 6.943 3.422 -5.405 1.00 0.00 O ATOM 227 CB LEU A 14 5.551 0.616 -4.728 1.00 0.00 C ATOM 228 CG LEU A 14 5.430 1.350 -3.394 1.00 0.00 C ATOM 229 CD1 LEU A 14 4.138 2.150 -3.327 1.00 0.00 C ATOM 230 CD2 LEU A 14 5.520 0.367 -2.239 1.00 0.00 C ATOM 0 H LEU A 14 5.705 -0.356 -6.995 1.00 0.00 H new ATOM 0 HA LEU A 14 4.798 2.146 -6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.683 -0.033 -4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.428 -0.030 -4.682 1.00 0.00 H new ATOM 0 HG LEU A 14 6.260 2.052 -3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.077 2.663 -2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.123 2.884 -4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.287 1.477 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.432 0.905 -1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.713 -0.362 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.479 -0.149 -2.274 1.00 0.00 H new ATOM 242 N ALA A 15 8.000 1.809 -6.508 1.00 0.00 N ATOM 243 CA ALA A 15 9.252 2.534 -6.573 1.00 0.00 C ATOM 244 C ALA A 15 9.267 3.469 -7.787 1.00 0.00 C ATOM 245 O ALA A 15 10.195 4.249 -7.975 1.00 0.00 O ATOM 246 CB ALA A 15 10.421 1.564 -6.641 1.00 0.00 C ATOM 0 H ALA A 15 8.025 0.884 -6.936 1.00 0.00 H new ATOM 0 HA ALA A 15 9.350 3.136 -5.670 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.355 2.123 -6.689 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.422 0.932 -5.753 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.325 0.940 -7.530 1.00 0.00 H new ATOM 252 N THR A 16 8.251 3.367 -8.617 1.00 0.00 N ATOM 253 CA THR A 16 8.147 4.181 -9.810 1.00 0.00 C ATOM 254 C THR A 16 7.303 5.431 -9.516 1.00 0.00 C ATOM 255 O THR A 16 7.378 6.437 -10.229 1.00 0.00 O ATOM 256 CB THR A 16 7.496 3.363 -10.944 1.00 0.00 C ATOM 257 OG1 THR A 16 8.158 2.091 -11.044 1.00 0.00 O ATOM 258 CG2 THR A 16 7.613 4.074 -12.282 1.00 0.00 C ATOM 0 H THR A 16 7.475 2.719 -8.485 1.00 0.00 H new ATOM 0 HA THR A 16 9.145 4.491 -10.121 1.00 0.00 H new ATOM 0 HB THR A 16 6.439 3.238 -10.707 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.014 1.582 -10.219 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.144 3.469 -13.058 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.114 5.041 -12.225 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.665 4.222 -12.524 1.00 0.00 H new ATOM 266 N VAL A 17 6.512 5.362 -8.475 1.00 0.00 N ATOM 267 CA VAL A 17 5.695 6.474 -8.086 1.00 0.00 C ATOM 268 C VAL A 17 6.446 7.302 -7.027 1.00 0.00 C ATOM 269 O VAL A 17 7.074 6.720 -6.137 1.00 0.00 O ATOM 270 CB VAL A 17 4.270 6.010 -7.590 1.00 0.00 C ATOM 271 CG1 VAL A 17 4.344 5.065 -6.407 1.00 0.00 C ATOM 272 CG2 VAL A 17 3.367 7.192 -7.274 1.00 0.00 C ATOM 0 H VAL A 17 6.419 4.539 -7.880 1.00 0.00 H new ATOM 0 HA VAL A 17 5.511 7.106 -8.955 1.00 0.00 H new ATOM 0 HB VAL A 17 3.829 5.458 -8.420 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.336 4.778 -6.107 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.907 4.175 -6.687 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.842 5.562 -5.575 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.397 6.828 -6.936 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.821 7.797 -6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.235 7.799 -8.170 1.00 0.00 H new ATOM 282 N PRO A 18 6.452 8.663 -7.198 1.00 0.00 N ATOM 283 CA PRO A 18 7.100 9.650 -6.329 1.00 0.00 C ATOM 284 C PRO A 18 7.406 9.210 -4.898 1.00 0.00 C ATOM 285 O PRO A 18 6.491 8.968 -4.074 1.00 0.00 O ATOM 286 CB PRO A 18 6.077 10.768 -6.345 1.00 0.00 C ATOM 287 CG PRO A 18 5.558 10.760 -7.748 1.00 0.00 C ATOM 288 CD PRO A 18 5.825 9.378 -8.317 1.00 0.00 C ATOM 0 HA PRO A 18 8.099 9.893 -6.692 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.280 10.591 -5.623 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.529 11.727 -6.092 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.491 10.984 -7.765 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.054 11.525 -8.346 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.904 8.892 -8.639 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.483 9.421 -9.185 1.00 0.00 H new ATOM 296 N ALA A 19 8.697 9.150 -4.600 1.00 0.00 N ATOM 297 CA ALA A 19 9.211 8.738 -3.303 1.00 0.00 C ATOM 298 C ALA A 19 8.765 9.685 -2.188 1.00 0.00 C ATOM 299 O ALA A 19 8.684 9.299 -1.040 1.00 0.00 O ATOM 300 CB ALA A 19 10.729 8.633 -3.342 1.00 0.00 C ATOM 0 H ALA A 19 9.430 9.391 -5.267 1.00 0.00 H new ATOM 0 HA ALA A 19 8.795 7.755 -3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.098 8.324 -2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.024 7.897 -4.090 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.154 9.603 -3.600 1.00 0.00 H new ATOM 306 N GLU A 20 8.430 10.913 -2.527 1.00 0.00 N ATOM 307 CA GLU A 20 7.953 11.852 -1.516 1.00 0.00 C ATOM 308 C GLU A 20 6.518 11.557 -1.090 1.00 0.00 C ATOM 309 O GLU A 20 6.031 12.085 -0.084 1.00 0.00 O ATOM 310 CB GLU A 20 8.152 13.343 -1.890 1.00 0.00 C ATOM 311 CG GLU A 20 7.770 13.743 -3.305 1.00 0.00 C ATOM 312 CD GLU A 20 8.782 13.273 -4.308 1.00 0.00 C ATOM 313 OE1 GLU A 20 9.884 13.842 -4.361 1.00 0.00 O ATOM 314 OE2 GLU A 20 8.526 12.304 -5.020 1.00 0.00 O ATOM 0 H GLU A 20 8.475 11.286 -3.475 1.00 0.00 H new ATOM 0 HA GLU A 20 8.595 11.686 -0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.571 13.950 -1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.201 13.597 -1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.794 13.325 -3.550 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.676 14.827 -3.364 1.00 0.00 H new ATOM 321 N LYS A 21 5.845 10.710 -1.839 1.00 0.00 N ATOM 322 CA LYS A 21 4.507 10.300 -1.481 1.00 0.00 C ATOM 323 C LYS A 21 4.497 8.848 -1.027 1.00 0.00 C ATOM 324 O LYS A 21 3.952 8.518 0.031 1.00 0.00 O ATOM 325 CB LYS A 21 3.509 10.490 -2.640 1.00 0.00 C ATOM 326 CG LYS A 21 3.319 11.937 -3.079 1.00 0.00 C ATOM 327 CD LYS A 21 2.220 12.084 -4.141 1.00 0.00 C ATOM 328 CE LYS A 21 0.852 11.647 -3.610 1.00 0.00 C ATOM 329 NZ LYS A 21 -0.239 11.919 -4.570 1.00 0.00 N ATOM 0 H LYS A 21 6.203 10.293 -2.698 1.00 0.00 H new ATOM 0 HA LYS A 21 4.188 10.941 -0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.849 9.906 -3.495 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.543 10.084 -2.341 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.067 12.547 -2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.259 12.320 -3.476 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.168 13.122 -4.468 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.478 11.487 -5.016 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.877 10.581 -3.385 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.646 12.166 -2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.116 11.472 -4.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.383 12.946 -4.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.013 11.531 -5.501 1.00 0.00 H new ATOM 343 N ALA A 22 5.134 7.995 -1.805 1.00 0.00 N ATOM 344 CA ALA A 22 5.114 6.564 -1.553 1.00 0.00 C ATOM 345 C ALA A 22 6.256 6.098 -0.672 1.00 0.00 C ATOM 346 O ALA A 22 6.215 4.979 -0.187 1.00 0.00 O ATOM 347 CB ALA A 22 5.119 5.808 -2.867 1.00 0.00 C ATOM 0 H ALA A 22 5.677 8.269 -2.624 1.00 0.00 H new ATOM 0 HA ALA A 22 4.196 6.351 -1.006 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.104 4.736 -2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.239 6.083 -3.448 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.018 6.061 -3.429 1.00 0.00 H new ATOM 353 N GLY A 23 7.237 6.968 -0.444 1.00 0.00 N ATOM 354 CA GLY A 23 8.453 6.641 0.341 1.00 0.00 C ATOM 355 C GLY A 23 8.198 5.875 1.634 1.00 0.00 C ATOM 356 O GLY A 23 8.749 4.786 1.809 1.00 0.00 O ATOM 0 H GLY A 23 7.223 7.926 -0.794 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.124 6.054 -0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.972 7.569 0.582 1.00 0.00 H new ATOM 360 N PRO A 24 7.376 6.418 2.570 1.00 0.00 N ATOM 361 CA PRO A 24 7.006 5.722 3.809 1.00 0.00 C ATOM 362 C PRO A 24 6.542 4.280 3.556 1.00 0.00 C ATOM 363 O PRO A 24 6.993 3.338 4.225 1.00 0.00 O ATOM 364 CB PRO A 24 5.849 6.567 4.372 1.00 0.00 C ATOM 365 CG PRO A 24 5.543 7.593 3.330 1.00 0.00 C ATOM 366 CD PRO A 24 6.795 7.765 2.536 1.00 0.00 C ATOM 0 HA PRO A 24 7.854 5.633 4.489 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.976 5.947 4.577 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.132 7.039 5.313 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.720 7.268 2.694 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.240 8.535 3.788 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.588 8.093 1.517 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.460 8.506 2.981 1.00 0.00 H new ATOM 374 N LEU A 25 5.715 4.112 2.541 1.00 0.00 N ATOM 375 CA LEU A 25 5.173 2.818 2.195 1.00 0.00 C ATOM 376 C LEU A 25 6.238 1.932 1.567 1.00 0.00 C ATOM 377 O LEU A 25 6.295 0.740 1.850 1.00 0.00 O ATOM 378 CB LEU A 25 3.967 2.967 1.268 1.00 0.00 C ATOM 379 CG LEU A 25 3.336 1.666 0.761 1.00 0.00 C ATOM 380 CD1 LEU A 25 2.912 0.774 1.916 1.00 0.00 C ATOM 381 CD2 LEU A 25 2.154 1.972 -0.123 1.00 0.00 C ATOM 0 H LEU A 25 5.402 4.871 1.935 1.00 0.00 H new ATOM 0 HA LEU A 25 4.836 2.335 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.200 3.537 1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.270 3.559 0.405 1.00 0.00 H new ATOM 0 HG LEU A 25 4.086 1.130 0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.468 -0.141 1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.783 0.524 2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.180 1.298 2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.714 1.040 -0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.411 2.532 0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.482 2.566 -0.976 1.00 0.00 H new ATOM 393 N GLN A 26 7.087 2.528 0.730 1.00 0.00 N ATOM 394 CA GLN A 26 8.208 1.809 0.106 1.00 0.00 C ATOM 395 C GLN A 26 9.075 1.169 1.193 1.00 0.00 C ATOM 396 O GLN A 26 9.492 0.002 1.079 1.00 0.00 O ATOM 397 CB GLN A 26 9.066 2.766 -0.750 1.00 0.00 C ATOM 398 CG GLN A 26 8.324 3.425 -1.909 1.00 0.00 C ATOM 399 CD GLN A 26 9.158 4.472 -2.634 1.00 0.00 C ATOM 400 OE1 GLN A 26 10.035 5.097 -2.047 1.00 0.00 O ATOM 401 NE2 GLN A 26 8.861 4.706 -3.882 1.00 0.00 N ATOM 0 H GLN A 26 7.023 3.511 0.465 1.00 0.00 H new ATOM 0 HA GLN A 26 7.804 1.034 -0.545 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.469 3.546 -0.104 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.916 2.212 -1.149 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.018 2.657 -2.620 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.414 3.892 -1.532 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.126 4.168 -4.341 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.364 5.427 -4.399 1.00 0.00 H new ATOM 410 N ARG A 27 9.305 1.929 2.260 1.00 0.00 N ATOM 411 CA ARG A 27 10.082 1.462 3.402 1.00 0.00 C ATOM 412 C ARG A 27 9.319 0.373 4.141 1.00 0.00 C ATOM 413 O ARG A 27 9.856 -0.708 4.411 1.00 0.00 O ATOM 414 CB ARG A 27 10.337 2.599 4.380 1.00 0.00 C ATOM 415 CG ARG A 27 11.040 3.807 3.792 1.00 0.00 C ATOM 416 CD ARG A 27 11.242 4.896 4.840 1.00 0.00 C ATOM 417 NE ARG A 27 9.977 5.282 5.505 1.00 0.00 N ATOM 418 CZ ARG A 27 9.674 6.524 5.924 1.00 0.00 C ATOM 419 NH1 ARG A 27 10.512 7.523 5.722 1.00 0.00 N ATOM 420 NH2 ARG A 27 8.535 6.750 6.555 1.00 0.00 N ATOM 0 H ARG A 27 8.959 2.884 2.356 1.00 0.00 H new ATOM 0 HA ARG A 27 11.029 1.077 3.024 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.382 2.920 4.796 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.934 2.218 5.209 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.006 3.506 3.386 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.455 4.202 2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.952 4.547 5.590 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.683 5.774 4.368 1.00 0.00 H new ATOM 0 HE ARG A 27 9.282 4.551 5.657 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.398 7.357 5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.274 8.461 6.043 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.885 5.982 6.725 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.306 7.692 6.872 1.00 0.00 H new ATOM 434 N TYR A 28 8.058 0.672 4.466 1.00 0.00 N ATOM 435 CA TYR A 28 7.168 -0.231 5.205 1.00 0.00 C ATOM 436 C TYR A 28 7.092 -1.593 4.527 1.00 0.00 C ATOM 437 O TYR A 28 7.213 -2.624 5.184 1.00 0.00 O ATOM 438 CB TYR A 28 5.758 0.389 5.334 1.00 0.00 C ATOM 439 CG TYR A 28 4.769 -0.433 6.156 1.00 0.00 C ATOM 440 CD1 TYR A 28 4.799 -0.401 7.541 1.00 0.00 C ATOM 441 CD2 TYR A 28 3.813 -1.235 5.543 1.00 0.00 C ATOM 442 CE1 TYR A 28 3.910 -1.140 8.297 1.00 0.00 C ATOM 443 CE2 TYR A 28 2.920 -1.980 6.294 1.00 0.00 C ATOM 444 CZ TYR A 28 2.974 -1.927 7.672 1.00 0.00 C ATOM 445 OH TYR A 28 2.090 -2.677 8.431 1.00 0.00 O ATOM 0 H TYR A 28 7.620 1.560 4.220 1.00 0.00 H new ATOM 0 HA TYR A 28 7.579 -0.372 6.205 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.851 1.377 5.785 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.347 0.533 4.335 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.533 0.215 8.040 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.766 -1.277 4.465 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.951 -1.099 9.375 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.184 -2.600 5.804 1.00 0.00 H new ATOM 0 HH TYR A 28 1.492 -3.177 7.837 1.00 0.00 H new ATOM 455 N ALA A 29 6.943 -1.578 3.218 1.00 0.00 N ATOM 456 CA ALA A 29 6.862 -2.787 2.412 1.00 0.00 C ATOM 457 C ALA A 29 8.094 -3.671 2.599 1.00 0.00 C ATOM 458 O ALA A 29 7.971 -4.876 2.873 1.00 0.00 O ATOM 459 CB ALA A 29 6.695 -2.424 0.951 1.00 0.00 C ATOM 0 H ALA A 29 6.874 -0.718 2.674 1.00 0.00 H new ATOM 0 HA ALA A 29 5.993 -3.355 2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.635 -3.334 0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.781 -1.845 0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.549 -1.831 0.623 1.00 0.00 H new ATOM 465 N ALA A 30 9.273 -3.064 2.510 1.00 0.00 N ATOM 466 CA ALA A 30 10.527 -3.795 2.655 1.00 0.00 C ATOM 467 C ALA A 30 10.668 -4.310 4.083 1.00 0.00 C ATOM 468 O ALA A 30 11.148 -5.426 4.324 1.00 0.00 O ATOM 469 CB ALA A 30 11.704 -2.905 2.286 1.00 0.00 C ATOM 0 H ALA A 30 9.386 -2.065 2.338 1.00 0.00 H new ATOM 0 HA ALA A 30 10.519 -4.648 1.977 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.633 -3.464 2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.602 -2.577 1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.722 -2.035 2.942 1.00 0.00 H new ATOM 475 N THR A 31 10.202 -3.507 5.015 1.00 0.00 N ATOM 476 CA THR A 31 10.221 -3.836 6.421 1.00 0.00 C ATOM 477 C THR A 31 9.333 -5.076 6.682 1.00 0.00 C ATOM 478 O THR A 31 9.757 -6.035 7.326 1.00 0.00 O ATOM 479 CB THR A 31 9.718 -2.629 7.248 1.00 0.00 C ATOM 480 OG1 THR A 31 10.487 -1.456 6.904 1.00 0.00 O ATOM 481 CG2 THR A 31 9.858 -2.886 8.736 1.00 0.00 C ATOM 0 H THR A 31 9.794 -2.594 4.813 1.00 0.00 H new ATOM 0 HA THR A 31 11.242 -4.067 6.724 1.00 0.00 H new ATOM 0 HB THR A 31 8.664 -2.477 7.017 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.164 -1.091 6.054 1.00 0.00 H new ATOM 0 HG21 THR A 31 9.496 -2.020 9.290 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.272 -3.763 9.010 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.906 -3.060 8.978 1.00 0.00 H new ATOM 489 N ILE A 32 8.130 -5.065 6.122 1.00 0.00 N ATOM 490 CA ILE A 32 7.189 -6.167 6.280 1.00 0.00 C ATOM 491 C ILE A 32 7.719 -7.440 5.638 1.00 0.00 C ATOM 492 O ILE A 32 7.588 -8.524 6.208 1.00 0.00 O ATOM 493 CB ILE A 32 5.769 -5.810 5.730 1.00 0.00 C ATOM 494 CG1 ILE A 32 5.152 -4.669 6.549 1.00 0.00 C ATOM 495 CG2 ILE A 32 4.831 -7.024 5.709 1.00 0.00 C ATOM 496 CD1 ILE A 32 4.986 -4.972 8.033 1.00 0.00 C ATOM 0 H ILE A 32 7.780 -4.297 5.549 1.00 0.00 H new ATOM 0 HA ILE A 32 7.085 -6.346 7.350 1.00 0.00 H new ATOM 0 HB ILE A 32 5.894 -5.484 4.698 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.776 -3.782 6.440 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.176 -4.425 6.130 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.858 -6.725 5.319 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.255 -7.800 5.071 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.713 -7.410 6.721 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.543 -4.111 8.533 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.335 -5.838 8.157 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.961 -5.185 8.472 1.00 0.00 H new ATOM 508 N GLN A 33 8.345 -7.320 4.479 1.00 0.00 N ATOM 509 CA GLN A 33 8.903 -8.485 3.830 1.00 0.00 C ATOM 510 C GLN A 33 10.019 -9.102 4.657 1.00 0.00 C ATOM 511 O GLN A 33 10.096 -10.327 4.791 1.00 0.00 O ATOM 512 CB GLN A 33 9.324 -8.211 2.388 1.00 0.00 C ATOM 513 CG GLN A 33 8.145 -7.867 1.501 1.00 0.00 C ATOM 514 CD GLN A 33 8.395 -8.090 0.025 1.00 0.00 C ATOM 515 OE1 GLN A 33 9.510 -7.990 -0.472 1.00 0.00 O ATOM 516 NE2 GLN A 33 7.352 -8.423 -0.676 1.00 0.00 N ATOM 0 H GLN A 33 8.476 -6.441 3.978 1.00 0.00 H new ATOM 0 HA GLN A 33 8.106 -9.225 3.768 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.041 -7.390 2.371 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.834 -9.087 1.988 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.287 -8.465 1.807 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.878 -6.822 1.659 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.439 -8.497 -0.228 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.447 -8.611 -1.674 1.00 0.00 H new ATOM 525 N SER A 34 10.813 -8.254 5.270 1.00 0.00 N ATOM 526 CA SER A 34 11.875 -8.689 6.145 1.00 0.00 C ATOM 527 C SER A 34 11.292 -9.389 7.395 1.00 0.00 C ATOM 528 O SER A 34 11.744 -10.475 7.776 1.00 0.00 O ATOM 529 CB SER A 34 12.741 -7.486 6.521 1.00 0.00 C ATOM 530 OG SER A 34 13.232 -6.845 5.341 1.00 0.00 O ATOM 0 H SER A 34 10.740 -7.241 5.175 1.00 0.00 H new ATOM 0 HA SER A 34 12.502 -9.418 5.631 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.158 -6.779 7.112 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.576 -7.809 7.143 1.00 0.00 H new ATOM 0 HG SER A 34 12.534 -6.268 4.968 1.00 0.00 H new ATOM 536 N GLN A 35 10.247 -8.789 7.977 1.00 0.00 N ATOM 537 CA GLN A 35 9.572 -9.342 9.160 1.00 0.00 C ATOM 538 C GLN A 35 8.902 -10.685 8.884 1.00 0.00 C ATOM 539 O GLN A 35 8.896 -11.564 9.740 1.00 0.00 O ATOM 540 CB GLN A 35 8.568 -8.348 9.752 1.00 0.00 C ATOM 541 CG GLN A 35 9.225 -7.172 10.447 1.00 0.00 C ATOM 542 CD GLN A 35 8.239 -6.181 11.032 1.00 0.00 C ATOM 543 OE1 GLN A 35 7.116 -6.527 11.412 1.00 0.00 O ATOM 544 NE2 GLN A 35 8.659 -4.954 11.155 1.00 0.00 N ATOM 0 H GLN A 35 9.846 -7.912 7.645 1.00 0.00 H new ATOM 0 HA GLN A 35 10.354 -9.521 9.898 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.923 -7.976 8.956 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.928 -8.870 10.463 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.867 -7.545 11.244 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.868 -6.654 9.736 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.592 -4.700 10.831 1.00 0.00 H new ATOM 0 HE22 GLN A 35 8.055 -4.248 11.575 1.00 0.00 H new ATOM 553 N ARG A 36 8.354 -10.854 7.697 1.00 0.00 N ATOM 554 CA ARG A 36 7.704 -12.125 7.338 1.00 0.00 C ATOM 555 C ARG A 36 8.745 -13.182 6.976 1.00 0.00 C ATOM 556 O ARG A 36 8.446 -14.375 6.939 1.00 0.00 O ATOM 557 CB ARG A 36 6.761 -11.957 6.153 1.00 0.00 C ATOM 558 CG ARG A 36 5.625 -10.964 6.345 1.00 0.00 C ATOM 559 CD ARG A 36 4.837 -10.835 5.052 1.00 0.00 C ATOM 560 NE ARG A 36 5.741 -10.544 3.924 1.00 0.00 N ATOM 561 CZ ARG A 36 5.719 -11.192 2.746 1.00 0.00 C ATOM 562 NH1 ARG A 36 4.667 -11.912 2.396 1.00 0.00 N ATOM 563 NH2 ARG A 36 6.744 -11.086 1.914 1.00 0.00 N ATOM 0 H ARG A 36 8.339 -10.145 6.964 1.00 0.00 H new ATOM 0 HA ARG A 36 7.133 -12.444 8.210 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.347 -11.647 5.288 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.331 -12.930 5.914 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.970 -11.297 7.150 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.023 -9.993 6.639 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.290 -11.758 4.859 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.097 -10.040 5.148 1.00 0.00 H new ATOM 0 HE ARG A 36 6.429 -9.801 4.045 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.864 -11.979 3.021 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.658 -12.400 1.501 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.549 -10.513 2.167 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.728 -11.577 1.020 1.00 0.00 H new ATOM 577 N GLY A 37 9.955 -12.734 6.698 1.00 0.00 N ATOM 578 CA GLY A 37 11.001 -13.647 6.299 1.00 0.00 C ATOM 579 C GLY A 37 10.851 -14.053 4.852 1.00 0.00 C ATOM 580 O GLY A 37 11.203 -15.176 4.464 1.00 0.00 O ATOM 0 H GLY A 37 10.233 -11.754 6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.973 -13.178 6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.974 -14.534 6.933 1.00 0.00 H new ATOM 584 N ASP A 38 10.328 -13.141 4.059 1.00 0.00 N ATOM 585 CA ASP A 38 10.092 -13.365 2.639 1.00 0.00 C ATOM 586 C ASP A 38 10.358 -12.097 1.877 1.00 0.00 C ATOM 587 O ASP A 38 9.548 -11.165 1.901 1.00 0.00 O ATOM 588 CB ASP A 38 8.651 -13.833 2.370 1.00 0.00 C ATOM 589 CG ASP A 38 8.322 -13.937 0.877 1.00 0.00 C ATOM 590 OD1 ASP A 38 8.649 -14.958 0.252 1.00 0.00 O ATOM 591 OD2 ASP A 38 7.708 -13.003 0.318 1.00 0.00 O ATOM 0 H ASP A 38 10.051 -12.213 4.380 1.00 0.00 H new ATOM 0 HA ASP A 38 10.770 -14.151 2.307 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.498 -14.805 2.838 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.956 -13.139 2.842 1.00 0.00 H new ATOM 596 N TYR A 39 11.493 -12.022 1.254 1.00 0.00 N ATOM 597 CA TYR A 39 11.834 -10.868 0.484 1.00 0.00 C ATOM 598 C TYR A 39 11.513 -11.144 -0.968 1.00 0.00 C ATOM 599 O TYR A 39 12.350 -11.618 -1.740 1.00 0.00 O ATOM 600 CB TYR A 39 13.308 -10.459 0.682 1.00 0.00 C ATOM 601 CG TYR A 39 13.681 -9.136 0.028 1.00 0.00 C ATOM 602 CD1 TYR A 39 13.311 -7.929 0.611 1.00 0.00 C ATOM 603 CD2 TYR A 39 14.394 -9.095 -1.169 1.00 0.00 C ATOM 604 CE1 TYR A 39 13.640 -6.721 0.024 1.00 0.00 C ATOM 605 CE2 TYR A 39 14.726 -7.890 -1.760 1.00 0.00 C ATOM 606 CZ TYR A 39 14.346 -6.707 -1.159 1.00 0.00 C ATOM 607 OH TYR A 39 14.675 -5.502 -1.745 1.00 0.00 O ATOM 0 H TYR A 39 12.204 -12.753 1.265 1.00 0.00 H new ATOM 0 HA TYR A 39 11.243 -10.019 0.827 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.515 -10.395 1.750 1.00 0.00 H new ATOM 0 HB3 TYR A 39 13.948 -11.244 0.280 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.757 -7.935 1.538 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.692 -10.019 -1.642 1.00 0.00 H new ATOM 0 HE1 TYR A 39 13.345 -5.793 0.491 1.00 0.00 H new ATOM 0 HE2 TYR A 39 15.280 -7.874 -2.687 1.00 0.00 H new ATOM 0 HH TYR A 39 15.173 -5.666 -2.573 1.00 0.00 H new ATOM 617 N ASN A 40 10.268 -10.939 -1.302 1.00 0.00 N ATOM 618 CA ASN A 40 9.793 -11.147 -2.650 1.00 0.00 C ATOM 619 C ASN A 40 10.356 -10.081 -3.574 1.00 0.00 C ATOM 620 O ASN A 40 10.824 -10.382 -4.670 1.00 0.00 O ATOM 621 CB ASN A 40 8.260 -11.161 -2.689 1.00 0.00 C ATOM 622 CG ASN A 40 7.703 -11.325 -4.092 1.00 0.00 C ATOM 623 OD1 ASN A 40 7.450 -10.347 -4.781 1.00 0.00 O ATOM 624 ND2 ASN A 40 7.530 -12.544 -4.528 1.00 0.00 N ATOM 0 H ASN A 40 9.551 -10.623 -0.649 1.00 0.00 H new ATOM 0 HA ASN A 40 10.142 -12.119 -2.998 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.894 -11.973 -2.061 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.883 -10.232 -2.261 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.173 -12.703 -5.470 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.751 -13.337 -3.926 1.00 0.00 H new ATOM 631 N GLY A 41 10.305 -8.834 -3.130 1.00 0.00 N ATOM 632 CA GLY A 41 10.872 -7.732 -3.893 1.00 0.00 C ATOM 633 C GLY A 41 10.011 -7.243 -5.059 1.00 0.00 C ATOM 634 O GLY A 41 10.126 -6.086 -5.461 1.00 0.00 O ATOM 0 H GLY A 41 9.877 -8.560 -2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.051 -6.896 -3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.842 -8.040 -4.282 1.00 0.00 H new ATOM 638 N LYS A 42 9.177 -8.109 -5.605 1.00 0.00 N ATOM 639 CA LYS A 42 8.338 -7.765 -6.743 1.00 0.00 C ATOM 640 C LYS A 42 7.035 -7.154 -6.264 1.00 0.00 C ATOM 641 O LYS A 42 6.697 -6.018 -6.602 1.00 0.00 O ATOM 642 CB LYS A 42 7.993 -9.017 -7.551 1.00 0.00 C ATOM 643 CG LYS A 42 9.163 -9.835 -8.053 1.00 0.00 C ATOM 644 CD LYS A 42 9.985 -9.108 -9.091 1.00 0.00 C ATOM 645 CE LYS A 42 11.095 -10.005 -9.609 1.00 0.00 C ATOM 646 NZ LYS A 42 10.566 -11.242 -10.232 1.00 0.00 N ATOM 0 H LYS A 42 9.061 -9.067 -5.275 1.00 0.00 H new ATOM 0 HA LYS A 42 8.890 -7.057 -7.361 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.366 -9.660 -6.934 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.393 -8.715 -8.410 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.802 -10.100 -7.211 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.792 -10.768 -8.478 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.346 -8.795 -9.917 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.412 -8.203 -8.658 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.692 -9.458 -10.339 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.761 -10.269 -8.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.289 -11.652 -10.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.321 -11.927 -9.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.716 -11.015 -10.787 1.00 0.00 H new ATOM 660 N VAL A 43 6.304 -7.923 -5.493 1.00 0.00 N ATOM 661 CA VAL A 43 5.008 -7.539 -4.992 1.00 0.00 C ATOM 662 C VAL A 43 4.916 -7.841 -3.507 1.00 0.00 C ATOM 663 O VAL A 43 5.777 -8.518 -2.948 1.00 0.00 O ATOM 664 CB VAL A 43 3.841 -8.287 -5.729 1.00 0.00 C ATOM 665 CG1 VAL A 43 3.793 -7.935 -7.206 1.00 0.00 C ATOM 666 CG2 VAL A 43 3.953 -9.803 -5.555 1.00 0.00 C ATOM 0 H VAL A 43 6.600 -8.851 -5.191 1.00 0.00 H new ATOM 0 HA VAL A 43 4.900 -6.470 -5.175 1.00 0.00 H new ATOM 0 HB VAL A 43 2.912 -7.952 -5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.972 -8.472 -7.682 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.638 -6.862 -7.319 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.734 -8.218 -7.678 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.130 -10.291 -6.077 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.901 -10.148 -5.969 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.908 -10.052 -4.495 1.00 0.00 H new ATOM 676 N LEU A 44 3.901 -7.326 -2.889 1.00 0.00 N ATOM 677 CA LEU A 44 3.602 -7.569 -1.503 1.00 0.00 C ATOM 678 C LEU A 44 2.116 -7.828 -1.400 1.00 0.00 C ATOM 679 O LEU A 44 1.354 -7.358 -2.236 1.00 0.00 O ATOM 680 CB LEU A 44 3.988 -6.345 -0.649 1.00 0.00 C ATOM 681 CG LEU A 44 3.678 -6.420 0.857 1.00 0.00 C ATOM 682 CD1 LEU A 44 4.454 -7.544 1.530 1.00 0.00 C ATOM 683 CD2 LEU A 44 3.966 -5.090 1.529 1.00 0.00 C ATOM 0 H LEU A 44 3.233 -6.704 -3.345 1.00 0.00 H new ATOM 0 HA LEU A 44 4.169 -8.424 -1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.058 -6.173 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.478 -5.472 -1.057 1.00 0.00 H new ATOM 0 HG LEU A 44 2.616 -6.640 0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.211 -7.568 2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.184 -8.496 1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.523 -7.373 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.741 -5.164 2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.018 -4.836 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.347 -4.314 1.080 1.00 0.00 H new ATOM 695 N SER A 45 1.708 -8.603 -0.443 1.00 0.00 N ATOM 696 CA SER A 45 0.316 -8.874 -0.229 1.00 0.00 C ATOM 697 C SER A 45 0.040 -8.897 1.261 1.00 0.00 C ATOM 698 O SER A 45 0.532 -9.776 1.975 1.00 0.00 O ATOM 699 CB SER A 45 -0.066 -10.201 -0.889 1.00 0.00 C ATOM 700 OG SER A 45 0.245 -10.164 -2.279 1.00 0.00 O ATOM 0 H SER A 45 2.332 -9.069 0.216 1.00 0.00 H new ATOM 0 HA SER A 45 -0.292 -8.092 -0.683 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.469 -11.021 -0.410 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.130 -10.391 -0.752 1.00 0.00 H new ATOM 0 HG SER A 45 -0.001 -11.018 -2.692 1.00 0.00 H new ATOM 706 N ILE A 46 -0.678 -7.903 1.737 1.00 0.00 N ATOM 707 CA ILE A 46 -0.988 -7.818 3.148 1.00 0.00 C ATOM 708 C ILE A 46 -2.474 -7.986 3.386 1.00 0.00 C ATOM 709 O ILE A 46 -3.277 -8.059 2.431 1.00 0.00 O ATOM 710 CB ILE A 46 -0.470 -6.518 3.882 1.00 0.00 C ATOM 711 CG1 ILE A 46 -1.130 -5.190 3.380 1.00 0.00 C ATOM 712 CG2 ILE A 46 1.051 -6.427 3.839 1.00 0.00 C ATOM 713 CD1 ILE A 46 -0.719 -4.710 1.998 1.00 0.00 C ATOM 0 H ILE A 46 -1.057 -7.145 1.170 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.433 -8.643 3.594 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.787 -6.627 4.919 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.212 -5.322 3.388 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.900 -4.402 4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.376 -5.522 4.352 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.482 -7.298 4.332 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.384 -6.395 2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.243 -3.783 1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.357 -4.534 1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.976 -5.468 1.258 1.00 0.00 H new ATOM 725 N ARG A 47 -2.835 -8.023 4.640 1.00 0.00 N ATOM 726 CA ARG A 47 -4.184 -8.240 5.060 1.00 0.00 C ATOM 727 C ARG A 47 -4.942 -6.928 5.085 1.00 0.00 C ATOM 728 O ARG A 47 -4.331 -5.849 5.093 1.00 0.00 O ATOM 729 CB ARG A 47 -4.144 -8.843 6.435 1.00 0.00 C ATOM 730 CG ARG A 47 -3.391 -10.152 6.455 1.00 0.00 C ATOM 731 CD ARG A 47 -3.105 -10.574 7.848 1.00 0.00 C ATOM 732 NE ARG A 47 -2.213 -9.607 8.518 1.00 0.00 N ATOM 733 CZ ARG A 47 -1.502 -9.822 9.625 1.00 0.00 C ATOM 734 NH1 ARG A 47 -1.432 -11.033 10.158 1.00 0.00 N ATOM 735 NH2 ARG A 47 -0.807 -8.817 10.163 1.00 0.00 N ATOM 0 H ARG A 47 -2.181 -7.900 5.413 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.694 -8.909 4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.673 -8.143 7.125 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.162 -9.004 6.790 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.976 -10.921 5.950 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.457 -10.048 5.903 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.038 -10.661 8.405 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.642 -11.561 7.846 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.133 -8.684 8.092 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.925 -11.812 9.721 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.885 -11.186 11.005 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.823 -7.895 9.727 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.260 -8.971 11.010 1.00 0.00 H new ATOM 749 N GLN A 48 -6.255 -7.015 5.133 1.00 0.00 N ATOM 750 CA GLN A 48 -7.132 -5.841 5.160 1.00 0.00 C ATOM 751 C GLN A 48 -6.880 -5.060 6.440 1.00 0.00 C ATOM 752 O GLN A 48 -6.895 -3.830 6.465 1.00 0.00 O ATOM 753 CB GLN A 48 -8.593 -6.300 5.076 1.00 0.00 C ATOM 754 CG GLN A 48 -8.920 -7.025 3.773 1.00 0.00 C ATOM 755 CD GLN A 48 -10.243 -7.771 3.804 1.00 0.00 C ATOM 756 OE1 GLN A 48 -11.181 -7.401 4.521 1.00 0.00 O ATOM 757 NE2 GLN A 48 -10.342 -8.811 3.009 1.00 0.00 N ATOM 0 H GLN A 48 -6.756 -7.903 5.155 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.923 -5.192 4.310 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.809 -6.960 5.916 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -9.246 -5.433 5.176 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.941 -6.300 2.960 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.120 -7.731 3.550 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.549 -9.089 2.431 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -11.212 -9.341 2.969 1.00 0.00 H new ATOM 766 N ASP A 49 -6.585 -5.809 7.477 1.00 0.00 N ATOM 767 CA ASP A 49 -6.270 -5.294 8.800 1.00 0.00 C ATOM 768 C ASP A 49 -4.997 -4.471 8.775 1.00 0.00 C ATOM 769 O ASP A 49 -4.891 -3.468 9.483 1.00 0.00 O ATOM 770 CB ASP A 49 -6.082 -6.453 9.785 1.00 0.00 C ATOM 771 CG ASP A 49 -7.292 -7.341 9.916 1.00 0.00 C ATOM 772 OD1 ASP A 49 -7.578 -8.109 8.978 1.00 0.00 O ATOM 773 OD2 ASP A 49 -7.976 -7.282 10.955 1.00 0.00 O ATOM 0 H ASP A 49 -6.555 -6.827 7.427 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.100 -4.662 9.116 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.233 -7.056 9.464 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.832 -6.048 10.766 1.00 0.00 H new ATOM 778 N ASP A 50 -4.044 -4.872 7.938 1.00 0.00 N ATOM 779 CA ASP A 50 -2.750 -4.186 7.877 1.00 0.00 C ATOM 780 C ASP A 50 -2.892 -2.878 7.172 1.00 0.00 C ATOM 781 O ASP A 50 -2.285 -1.899 7.558 1.00 0.00 O ATOM 782 CB ASP A 50 -1.660 -5.004 7.173 1.00 0.00 C ATOM 783 CG ASP A 50 -1.338 -6.311 7.834 1.00 0.00 C ATOM 784 OD1 ASP A 50 -0.769 -6.328 8.951 1.00 0.00 O ATOM 785 OD2 ASP A 50 -1.605 -7.359 7.231 1.00 0.00 O ATOM 0 H ASP A 50 -4.138 -5.660 7.297 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.439 -4.041 8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.974 -5.198 6.147 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.751 -4.405 7.120 1.00 0.00 H new ATOM 790 N LEU A 51 -3.734 -2.850 6.148 1.00 0.00 N ATOM 791 CA LEU A 51 -3.959 -1.634 5.372 1.00 0.00 C ATOM 792 C LEU A 51 -4.556 -0.542 6.275 1.00 0.00 C ATOM 793 O LEU A 51 -4.299 0.654 6.096 1.00 0.00 O ATOM 794 CB LEU A 51 -4.893 -1.913 4.188 1.00 0.00 C ATOM 795 CG LEU A 51 -5.038 -0.772 3.177 1.00 0.00 C ATOM 796 CD1 LEU A 51 -3.750 -0.584 2.388 1.00 0.00 C ATOM 797 CD2 LEU A 51 -6.211 -1.003 2.248 1.00 0.00 C ATOM 0 H LEU A 51 -4.274 -3.656 5.833 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.003 -1.289 4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.530 -2.796 3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.881 -2.157 4.578 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.234 0.144 3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.875 0.231 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.936 -0.346 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.515 -1.503 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.286 -0.175 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.063 -1.934 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.130 -1.067 2.831 1.00 0.00 H new ATOM 809 N ARG A 52 -5.314 -0.981 7.276 1.00 0.00 N ATOM 810 CA ARG A 52 -5.926 -0.086 8.249 1.00 0.00 C ATOM 811 C ARG A 52 -4.844 0.601 9.082 1.00 0.00 C ATOM 812 O ARG A 52 -4.990 1.765 9.471 1.00 0.00 O ATOM 813 CB ARG A 52 -6.866 -0.851 9.175 1.00 0.00 C ATOM 814 CG ARG A 52 -7.974 -1.599 8.465 1.00 0.00 C ATOM 815 CD ARG A 52 -8.807 -2.389 9.451 1.00 0.00 C ATOM 816 NE ARG A 52 -9.762 -3.272 8.783 1.00 0.00 N ATOM 817 CZ ARG A 52 -10.190 -4.444 9.278 1.00 0.00 C ATOM 818 NH1 ARG A 52 -9.849 -4.816 10.513 1.00 0.00 N ATOM 819 NH2 ARG A 52 -10.973 -5.225 8.554 1.00 0.00 N ATOM 0 H ARG A 52 -5.520 -1.967 7.434 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.501 0.663 7.705 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.281 -1.562 9.759 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.312 -0.149 9.880 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.609 -0.894 7.928 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.546 -2.272 7.722 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.149 -2.982 10.087 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.345 -1.701 10.103 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.128 -2.977 7.878 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.261 -4.209 11.084 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.176 -5.707 10.886 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.254 -4.938 7.616 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.297 -6.115 8.933 1.00 0.00 H new ATOM 833 N THR A 53 -3.752 -0.123 9.323 1.00 0.00 N ATOM 834 CA THR A 53 -2.618 0.376 10.071 1.00 0.00 C ATOM 835 C THR A 53 -1.950 1.520 9.284 1.00 0.00 C ATOM 836 O THR A 53 -1.577 2.543 9.854 1.00 0.00 O ATOM 837 CB THR A 53 -1.595 -0.767 10.301 1.00 0.00 C ATOM 838 OG1 THR A 53 -2.288 -1.927 10.811 1.00 0.00 O ATOM 839 CG2 THR A 53 -0.510 -0.351 11.292 1.00 0.00 C ATOM 0 H THR A 53 -3.637 -1.083 8.997 1.00 0.00 H new ATOM 0 HA THR A 53 -2.958 0.749 11.037 1.00 0.00 H new ATOM 0 HB THR A 53 -1.117 -0.997 9.349 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.647 -2.653 10.957 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.191 -1.174 11.431 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.023 0.518 10.905 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.968 -0.099 12.248 1.00 0.00 H new ATOM 847 N LEU A 54 -1.868 1.353 7.959 1.00 0.00 N ATOM 848 CA LEU A 54 -1.277 2.364 7.068 1.00 0.00 C ATOM 849 C LEU A 54 -2.031 3.670 7.151 1.00 0.00 C ATOM 850 O LEU A 54 -1.427 4.748 7.172 1.00 0.00 O ATOM 851 CB LEU A 54 -1.209 1.892 5.603 1.00 0.00 C ATOM 852 CG LEU A 54 -0.072 0.933 5.210 1.00 0.00 C ATOM 853 CD1 LEU A 54 -0.129 -0.369 5.972 1.00 0.00 C ATOM 854 CD2 LEU A 54 -0.105 0.668 3.723 1.00 0.00 C ATOM 0 H LEU A 54 -2.206 0.521 7.475 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.255 2.518 7.414 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.155 1.406 5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.136 2.776 4.969 1.00 0.00 H new ATOM 0 HG LEU A 54 0.867 1.420 5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.694 -1.011 5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.047 -0.169 7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.076 -0.869 5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.704 -0.012 3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.061 0.217 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.018 1.607 3.183 1.00 0.00 H new ATOM 866 N ALA A 55 -3.341 3.571 7.243 1.00 0.00 N ATOM 867 CA ALA A 55 -4.195 4.737 7.359 1.00 0.00 C ATOM 868 C ALA A 55 -3.893 5.500 8.656 1.00 0.00 C ATOM 869 O ALA A 55 -4.028 6.715 8.710 1.00 0.00 O ATOM 870 CB ALA A 55 -5.655 4.333 7.285 1.00 0.00 C ATOM 0 H ALA A 55 -3.843 2.683 7.240 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.989 5.406 6.523 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.283 5.220 7.374 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.849 3.845 6.330 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.883 3.644 8.098 1.00 0.00 H new ATOM 876 N VAL A 56 -3.434 4.786 9.670 1.00 0.00 N ATOM 877 CA VAL A 56 -3.071 5.402 10.940 1.00 0.00 C ATOM 878 C VAL A 56 -1.679 6.050 10.822 1.00 0.00 C ATOM 879 O VAL A 56 -1.428 7.118 11.384 1.00 0.00 O ATOM 880 CB VAL A 56 -3.073 4.366 12.107 1.00 0.00 C ATOM 881 CG1 VAL A 56 -2.741 5.029 13.440 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.416 3.657 12.197 1.00 0.00 C ATOM 0 H VAL A 56 -3.303 3.775 9.640 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.818 6.163 11.169 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.299 3.629 11.891 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.751 4.280 14.232 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.752 5.484 13.384 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.482 5.798 13.659 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.394 2.940 13.017 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.203 4.390 12.376 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.614 3.133 11.262 1.00 0.00 H new ATOM 892 N ILE A 57 -0.790 5.411 10.055 1.00 0.00 N ATOM 893 CA ILE A 57 0.581 5.911 9.860 1.00 0.00 C ATOM 894 C ILE A 57 0.546 7.277 9.177 1.00 0.00 C ATOM 895 O ILE A 57 1.166 8.247 9.637 1.00 0.00 O ATOM 896 CB ILE A 57 1.450 4.964 8.962 1.00 0.00 C ATOM 897 CG1 ILE A 57 1.412 3.519 9.467 1.00 0.00 C ATOM 898 CG2 ILE A 57 2.900 5.463 8.921 1.00 0.00 C ATOM 899 CD1 ILE A 57 2.192 2.536 8.611 1.00 0.00 C ATOM 0 H ILE A 57 -0.993 4.544 9.557 1.00 0.00 H new ATOM 0 HA ILE A 57 1.028 5.966 10.852 1.00 0.00 H new ATOM 0 HB ILE A 57 1.030 4.981 7.956 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.807 3.491 10.483 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.373 3.192 9.520 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.496 4.799 8.295 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.926 6.471 8.508 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.310 5.474 9.931 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.112 1.537 9.040 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.784 2.531 7.600 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.240 2.834 8.578 1.00 0.00 H new ATOM 911 N TYR A 58 -0.212 7.361 8.106 1.00 0.00 N ATOM 912 CA TYR A 58 -0.241 8.577 7.304 1.00 0.00 C ATOM 913 C TYR A 58 -1.337 9.502 7.788 1.00 0.00 C ATOM 914 O TYR A 58 -1.487 10.609 7.278 1.00 0.00 O ATOM 915 CB TYR A 58 -0.454 8.248 5.815 1.00 0.00 C ATOM 916 CG TYR A 58 0.322 7.038 5.319 1.00 0.00 C ATOM 917 CD1 TYR A 58 1.660 6.834 5.644 1.00 0.00 C ATOM 918 CD2 TYR A 58 -0.310 6.073 4.562 1.00 0.00 C ATOM 919 CE1 TYR A 58 2.328 5.708 5.217 1.00 0.00 C ATOM 920 CE2 TYR A 58 0.353 4.947 4.138 1.00 0.00 C ATOM 921 CZ TYR A 58 1.666 4.769 4.468 1.00 0.00 C ATOM 922 OH TYR A 58 2.321 3.643 4.050 1.00 0.00 O ATOM 0 H TYR A 58 -0.815 6.611 7.767 1.00 0.00 H new ATOM 0 HA TYR A 58 0.722 9.076 7.415 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.517 8.078 5.642 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.169 9.116 5.220 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.181 7.569 6.239 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.349 6.206 4.297 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.368 5.565 5.471 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.162 4.205 3.546 1.00 0.00 H new ATOM 0 HH TYR A 58 1.683 2.903 3.974 1.00 0.00 H new ATOM 932 N ASP A 59 -2.072 9.029 8.788 1.00 0.00 N ATOM 933 CA ASP A 59 -3.234 9.705 9.384 1.00 0.00 C ATOM 934 C ASP A 59 -4.224 10.156 8.325 1.00 0.00 C ATOM 935 O ASP A 59 -4.356 11.342 8.002 1.00 0.00 O ATOM 936 CB ASP A 59 -2.867 10.834 10.357 1.00 0.00 C ATOM 937 CG ASP A 59 -4.091 11.408 11.045 1.00 0.00 C ATOM 938 OD1 ASP A 59 -4.717 10.698 11.859 1.00 0.00 O ATOM 939 OD2 ASP A 59 -4.463 12.569 10.771 1.00 0.00 O ATOM 0 H ASP A 59 -1.873 8.130 9.227 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.729 8.953 9.999 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.173 10.455 11.107 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.350 11.626 9.816 1.00 0.00 H new ATOM 944 N GLN A 60 -4.819 9.183 7.709 1.00 0.00 N ATOM 945 CA GLN A 60 -5.794 9.379 6.662 1.00 0.00 C ATOM 946 C GLN A 60 -6.908 8.373 6.854 1.00 0.00 C ATOM 947 O GLN A 60 -6.813 7.504 7.726 1.00 0.00 O ATOM 948 CB GLN A 60 -5.136 9.172 5.289 1.00 0.00 C ATOM 949 CG GLN A 60 -4.031 10.170 4.977 1.00 0.00 C ATOM 950 CD GLN A 60 -3.276 9.861 3.710 1.00 0.00 C ATOM 951 OE1 GLN A 60 -3.130 8.706 3.313 1.00 0.00 O ATOM 952 NE2 GLN A 60 -2.780 10.880 3.075 1.00 0.00 N ATOM 0 H GLN A 60 -4.641 8.201 7.920 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.192 10.393 6.707 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.725 8.164 5.243 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.902 9.240 4.516 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.465 11.166 4.897 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.329 10.194 5.811 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.922 11.824 3.435 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.249 10.736 2.216 1.00 0.00 H new ATOM 961 N SER A 61 -7.945 8.481 6.080 1.00 0.00 N ATOM 962 CA SER A 61 -9.018 7.537 6.141 1.00 0.00 C ATOM 963 C SER A 61 -8.709 6.408 5.159 1.00 0.00 C ATOM 964 O SER A 61 -8.103 6.664 4.104 1.00 0.00 O ATOM 965 CB SER A 61 -10.335 8.239 5.777 1.00 0.00 C ATOM 966 OG SER A 61 -10.239 8.870 4.507 1.00 0.00 O ATOM 0 H SER A 61 -8.071 9.223 5.391 1.00 0.00 H new ATOM 0 HA SER A 61 -9.121 7.126 7.145 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.148 7.513 5.766 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.579 8.980 6.538 1.00 0.00 H new ATOM 0 HG SER A 61 -11.089 9.309 4.295 1.00 0.00 H new ATOM 972 N PRO A 62 -9.080 5.143 5.477 1.00 0.00 N ATOM 973 CA PRO A 62 -8.844 3.993 4.585 1.00 0.00 C ATOM 974 C PRO A 62 -9.404 4.228 3.182 1.00 0.00 C ATOM 975 O PRO A 62 -8.837 3.762 2.195 1.00 0.00 O ATOM 976 CB PRO A 62 -9.586 2.850 5.280 1.00 0.00 C ATOM 977 CG PRO A 62 -9.550 3.223 6.715 1.00 0.00 C ATOM 978 CD PRO A 62 -9.717 4.716 6.742 1.00 0.00 C ATOM 0 HA PRO A 62 -7.782 3.797 4.436 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -10.609 2.758 4.916 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.098 1.891 5.104 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.347 2.728 7.270 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.608 2.924 7.175 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.767 5.004 6.783 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.230 5.161 7.610 1.00 0.00 H new ATOM 986 N SER A 63 -10.483 4.989 3.105 1.00 0.00 N ATOM 987 CA SER A 63 -11.104 5.332 1.853 1.00 0.00 C ATOM 988 C SER A 63 -10.129 6.141 0.953 1.00 0.00 C ATOM 989 O SER A 63 -9.786 5.698 -0.152 1.00 0.00 O ATOM 990 CB SER A 63 -12.402 6.116 2.122 1.00 0.00 C ATOM 991 OG SER A 63 -13.102 6.400 0.930 1.00 0.00 O ATOM 0 H SER A 63 -10.950 5.385 3.921 1.00 0.00 H new ATOM 0 HA SER A 63 -11.354 4.418 1.315 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.042 5.540 2.790 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.164 7.048 2.634 1.00 0.00 H new ATOM 0 HG SER A 63 -13.920 6.896 1.141 1.00 0.00 H new ATOM 997 N VAL A 64 -9.617 7.278 1.458 1.00 0.00 N ATOM 998 CA VAL A 64 -8.726 8.125 0.646 1.00 0.00 C ATOM 999 C VAL A 64 -7.355 7.456 0.482 1.00 0.00 C ATOM 1000 O VAL A 64 -6.645 7.672 -0.507 1.00 0.00 O ATOM 1001 CB VAL A 64 -8.576 9.584 1.215 1.00 0.00 C ATOM 1002 CG1 VAL A 64 -7.826 9.624 2.538 1.00 0.00 C ATOM 1003 CG2 VAL A 64 -7.924 10.511 0.196 1.00 0.00 C ATOM 0 H VAL A 64 -9.799 7.625 2.400 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.193 8.227 -0.334 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.586 9.943 1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.752 10.655 2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.362 9.031 3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.825 9.215 2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.834 11.511 0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.933 10.134 -0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.538 10.551 -0.704 1.00 0.00 H new ATOM 1013 N LEU A 65 -7.016 6.616 1.444 1.00 0.00 N ATOM 1014 CA LEU A 65 -5.791 5.855 1.417 1.00 0.00 C ATOM 1015 C LEU A 65 -5.828 4.912 0.211 1.00 0.00 C ATOM 1016 O LEU A 65 -4.913 4.907 -0.617 1.00 0.00 O ATOM 1017 CB LEU A 65 -5.638 5.097 2.771 1.00 0.00 C ATOM 1018 CG LEU A 65 -4.335 4.312 3.056 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -4.272 2.999 2.297 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -3.126 5.166 2.737 1.00 0.00 C ATOM 0 H LEU A 65 -7.591 6.445 2.269 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.920 6.500 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.762 5.827 3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.468 4.394 2.849 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.333 4.067 4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.339 2.487 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.114 2.370 2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.319 3.195 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.217 4.601 2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.148 5.449 1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.142 6.064 3.354 1.00 0.00 H new ATOM 1032 N THR A 66 -6.919 4.180 0.080 1.00 0.00 N ATOM 1033 CA THR A 66 -7.093 3.248 -1.014 1.00 0.00 C ATOM 1034 C THR A 66 -7.144 3.998 -2.366 1.00 0.00 C ATOM 1035 O THR A 66 -6.608 3.517 -3.374 1.00 0.00 O ATOM 1036 CB THR A 66 -8.364 2.394 -0.800 1.00 0.00 C ATOM 1037 OG1 THR A 66 -8.300 1.787 0.495 1.00 0.00 O ATOM 1038 CG2 THR A 66 -8.459 1.292 -1.830 1.00 0.00 C ATOM 0 H THR A 66 -7.706 4.216 0.728 1.00 0.00 H new ATOM 0 HA THR A 66 -6.236 2.576 -1.037 1.00 0.00 H new ATOM 0 HB THR A 66 -9.234 3.044 -0.892 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.424 2.473 1.184 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.362 0.708 -1.655 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.497 1.729 -2.828 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.586 0.644 -1.751 1.00 0.00 H new ATOM 1046 N GLU A 67 -7.730 5.205 -2.351 1.00 0.00 N ATOM 1047 CA GLU A 67 -7.796 6.069 -3.532 1.00 0.00 C ATOM 1048 C GLU A 67 -6.411 6.341 -4.075 1.00 0.00 C ATOM 1049 O GLU A 67 -6.167 6.191 -5.265 1.00 0.00 O ATOM 1050 CB GLU A 67 -8.486 7.395 -3.203 1.00 0.00 C ATOM 1051 CG GLU A 67 -9.992 7.310 -3.088 1.00 0.00 C ATOM 1052 CD GLU A 67 -10.637 7.063 -4.425 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -10.958 8.032 -5.132 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -10.843 5.907 -4.807 1.00 0.00 O ATOM 0 H GLU A 67 -8.169 5.605 -1.522 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.380 5.547 -4.290 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.084 7.775 -2.264 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.234 8.122 -3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.260 6.508 -2.400 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.378 8.237 -2.663 1.00 0.00 H new ATOM 1061 N GLN A 68 -5.504 6.716 -3.192 1.00 0.00 N ATOM 1062 CA GLN A 68 -4.135 6.982 -3.556 1.00 0.00 C ATOM 1063 C GLN A 68 -3.460 5.735 -4.107 1.00 0.00 C ATOM 1064 O GLN A 68 -2.930 5.752 -5.207 1.00 0.00 O ATOM 1065 CB GLN A 68 -3.365 7.541 -2.363 1.00 0.00 C ATOM 1066 CG GLN A 68 -3.709 8.986 -2.015 1.00 0.00 C ATOM 1067 CD GLN A 68 -3.369 9.948 -3.144 1.00 0.00 C ATOM 1068 OE1 GLN A 68 -2.255 10.479 -3.221 1.00 0.00 O ATOM 1069 NE2 GLN A 68 -4.315 10.199 -4.009 1.00 0.00 N ATOM 0 H GLN A 68 -5.702 6.844 -2.200 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.133 7.732 -4.347 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.560 6.914 -1.493 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.297 7.474 -2.571 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.772 9.059 -1.786 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.168 9.279 -1.115 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.223 9.744 -3.918 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.145 10.850 -4.776 1.00 0.00 H new ATOM 1078 N LEU A 69 -3.549 4.650 -3.365 1.00 0.00 N ATOM 1079 CA LEU A 69 -2.933 3.372 -3.740 1.00 0.00 C ATOM 1080 C LEU A 69 -3.380 2.879 -5.127 1.00 0.00 C ATOM 1081 O LEU A 69 -2.549 2.431 -5.944 1.00 0.00 O ATOM 1082 CB LEU A 69 -3.204 2.307 -2.661 1.00 0.00 C ATOM 1083 CG LEU A 69 -2.247 2.250 -1.444 1.00 0.00 C ATOM 1084 CD1 LEU A 69 -0.885 1.789 -1.876 1.00 0.00 C ATOM 1085 CD2 LEU A 69 -2.125 3.588 -0.734 1.00 0.00 C ATOM 0 H LEU A 69 -4.051 4.619 -2.478 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.859 3.543 -3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.215 2.462 -2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.190 1.330 -3.144 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.677 1.539 -0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.222 1.753 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.960 0.795 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.483 2.484 -2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.443 3.491 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.739 4.334 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.106 3.900 -0.374 1.00 0.00 H new ATOM 1097 N ILE A 70 -4.661 2.982 -5.403 1.00 0.00 N ATOM 1098 CA ILE A 70 -5.196 2.579 -6.689 1.00 0.00 C ATOM 1099 C ILE A 70 -4.811 3.587 -7.778 1.00 0.00 C ATOM 1100 O ILE A 70 -4.460 3.204 -8.891 1.00 0.00 O ATOM 1101 CB ILE A 70 -6.729 2.360 -6.619 1.00 0.00 C ATOM 1102 CG1 ILE A 70 -7.023 1.187 -5.686 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -7.329 2.108 -8.008 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -8.485 0.957 -5.442 1.00 0.00 C ATOM 0 H ILE A 70 -5.357 3.343 -4.751 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.751 1.621 -6.957 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.193 3.266 -6.230 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.588 0.281 -6.109 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.528 1.362 -4.731 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.405 1.959 -7.918 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.134 2.967 -8.650 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.875 1.218 -8.445 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.613 0.108 -4.770 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.923 1.847 -4.989 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.984 0.749 -6.389 1.00 0.00 H new ATOM 1116 N SER A 71 -4.802 4.864 -7.433 1.00 0.00 N ATOM 1117 CA SER A 71 -4.410 5.906 -8.376 1.00 0.00 C ATOM 1118 C SER A 71 -2.926 5.802 -8.766 1.00 0.00 C ATOM 1119 O SER A 71 -2.521 6.266 -9.828 1.00 0.00 O ATOM 1120 CB SER A 71 -4.737 7.288 -7.821 1.00 0.00 C ATOM 1121 OG SER A 71 -6.148 7.445 -7.648 1.00 0.00 O ATOM 0 H SER A 71 -5.061 5.207 -6.508 1.00 0.00 H new ATOM 0 HA SER A 71 -4.990 5.756 -9.287 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.231 7.430 -6.866 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.362 8.055 -8.498 1.00 0.00 H new ATOM 0 HG SER A 71 -6.401 7.158 -6.746 1.00 0.00 H new ATOM 1127 N TRP A 72 -2.122 5.198 -7.909 1.00 0.00 N ATOM 1128 CA TRP A 72 -0.721 4.978 -8.232 1.00 0.00 C ATOM 1129 C TRP A 72 -0.569 3.726 -9.077 1.00 0.00 C ATOM 1130 O TRP A 72 0.475 3.487 -9.669 1.00 0.00 O ATOM 1131 CB TRP A 72 0.138 4.856 -6.976 1.00 0.00 C ATOM 1132 CG TRP A 72 0.093 6.053 -6.085 1.00 0.00 C ATOM 1133 CD1 TRP A 72 -0.136 7.348 -6.449 1.00 0.00 C ATOM 1134 CD2 TRP A 72 0.311 6.065 -4.677 1.00 0.00 C ATOM 1135 NE1 TRP A 72 -0.096 8.158 -5.354 1.00 0.00 N ATOM 1136 CE2 TRP A 72 0.185 7.397 -4.246 1.00 0.00 C ATOM 1137 CE3 TRP A 72 0.597 5.072 -3.744 1.00 0.00 C ATOM 1138 CZ2 TRP A 72 0.336 7.764 -2.911 1.00 0.00 C ATOM 1139 CZ3 TRP A 72 0.747 5.433 -2.419 1.00 0.00 C ATOM 1140 CH2 TRP A 72 0.619 6.769 -2.012 1.00 0.00 C ATOM 0 H TRP A 72 -2.410 4.854 -6.993 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.375 5.845 -8.794 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.188 3.983 -6.410 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.171 4.676 -7.272 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.322 7.683 -7.459 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -0.250 9.166 -5.357 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.699 4.041 -4.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 0.234 8.792 -2.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 0.967 4.673 -1.684 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.746 7.019 -0.969 1.00 0.00 H new ATOM 1151 N GLY A 73 -1.610 2.913 -9.093 1.00 0.00 N ATOM 1152 CA GLY A 73 -1.613 1.703 -9.892 1.00 0.00 C ATOM 1153 C GLY A 73 -0.827 0.602 -9.247 1.00 0.00 C ATOM 1154 O GLY A 73 -0.460 -0.378 -9.887 1.00 0.00 O ATOM 0 H GLY A 73 -2.465 3.070 -8.560 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.640 1.373 -10.046 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.196 1.917 -10.876 1.00 0.00 H new ATOM 1158 N VAL A 74 -0.551 0.764 -7.977 1.00 0.00 N ATOM 1159 CA VAL A 74 0.200 -0.224 -7.252 1.00 0.00 C ATOM 1160 C VAL A 74 -0.745 -1.198 -6.579 1.00 0.00 C ATOM 1161 O VAL A 74 -0.393 -2.351 -6.331 1.00 0.00 O ATOM 1162 CB VAL A 74 1.176 0.413 -6.222 1.00 0.00 C ATOM 1163 CG1 VAL A 74 2.163 1.320 -6.926 1.00 0.00 C ATOM 1164 CG2 VAL A 74 0.436 1.191 -5.148 1.00 0.00 C ATOM 0 H VAL A 74 -0.837 1.573 -7.425 1.00 0.00 H new ATOM 0 HA VAL A 74 0.818 -0.765 -7.969 1.00 0.00 H new ATOM 0 HB VAL A 74 1.713 -0.401 -5.735 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.840 1.759 -6.193 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.737 0.741 -7.649 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.623 2.114 -7.443 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.154 1.620 -4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.142 1.991 -5.611 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.237 0.521 -4.612 1.00 0.00 H new ATOM 1174 N LEU A 75 -1.954 -0.735 -6.327 1.00 0.00 N ATOM 1175 CA LEU A 75 -2.983 -1.540 -5.732 1.00 0.00 C ATOM 1176 C LEU A 75 -4.059 -1.772 -6.767 1.00 0.00 C ATOM 1177 O LEU A 75 -4.274 -0.925 -7.641 1.00 0.00 O ATOM 1178 CB LEU A 75 -3.569 -0.851 -4.488 1.00 0.00 C ATOM 1179 CG LEU A 75 -4.678 -1.612 -3.737 1.00 0.00 C ATOM 1180 CD1 LEU A 75 -4.170 -2.948 -3.214 1.00 0.00 C ATOM 1181 CD2 LEU A 75 -5.230 -0.771 -2.600 1.00 0.00 C ATOM 0 H LEU A 75 -2.244 0.221 -6.534 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.564 -2.493 -5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.755 -0.659 -3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.965 0.118 -4.790 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.484 -1.811 -4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.974 -3.463 -2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.832 -3.561 -4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.339 -2.778 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.012 -1.327 -2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.429 -0.535 -1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.646 0.154 -3.000 1.00 0.00 H new ATOM 1193 N ASP A 76 -4.710 -2.902 -6.670 1.00 0.00 N ATOM 1194 CA ASP A 76 -5.727 -3.297 -7.622 1.00 0.00 C ATOM 1195 C ASP A 76 -7.011 -2.502 -7.388 1.00 0.00 C ATOM 1196 O ASP A 76 -7.384 -2.232 -6.237 1.00 0.00 O ATOM 1197 CB ASP A 76 -6.014 -4.790 -7.489 1.00 0.00 C ATOM 1198 CG ASP A 76 -6.821 -5.315 -8.641 1.00 0.00 C ATOM 1199 OD1 ASP A 76 -8.054 -5.134 -8.662 1.00 0.00 O ATOM 1200 OD2 ASP A 76 -6.213 -5.881 -9.583 1.00 0.00 O ATOM 0 H ASP A 76 -4.552 -3.581 -5.926 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.362 -3.089 -8.628 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.072 -5.336 -7.428 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.550 -4.974 -6.558 1.00 0.00 H new ATOM 1205 N ALA A 77 -7.698 -2.166 -8.463 1.00 0.00 N ATOM 1206 CA ALA A 77 -8.903 -1.343 -8.406 1.00 0.00 C ATOM 1207 C ALA A 77 -10.094 -2.074 -7.768 1.00 0.00 C ATOM 1208 O ALA A 77 -11.032 -1.456 -7.301 1.00 0.00 O ATOM 1209 CB ALA A 77 -9.267 -0.855 -9.799 1.00 0.00 C ATOM 0 H ALA A 77 -7.440 -2.455 -9.407 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.678 -0.490 -7.765 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.167 -0.242 -9.746 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.447 -0.261 -10.202 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.449 -1.711 -10.449 1.00 0.00 H new ATOM 1215 N ASP A 78 -10.074 -3.368 -7.812 1.00 0.00 N ATOM 1216 CA ASP A 78 -11.145 -4.188 -7.245 1.00 0.00 C ATOM 1217 C ASP A 78 -10.933 -4.447 -5.754 1.00 0.00 C ATOM 1218 O ASP A 78 -11.887 -4.606 -4.998 1.00 0.00 O ATOM 1219 CB ASP A 78 -11.278 -5.503 -7.999 1.00 0.00 C ATOM 1220 CG ASP A 78 -12.520 -6.266 -7.614 1.00 0.00 C ATOM 1221 OD1 ASP A 78 -13.615 -5.886 -8.073 1.00 0.00 O ATOM 1222 OD2 ASP A 78 -12.426 -7.281 -6.896 1.00 0.00 O ATOM 0 H ASP A 78 -9.320 -3.906 -8.239 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.073 -3.627 -7.355 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.295 -5.304 -9.070 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.401 -6.120 -7.804 1.00 0.00 H new ATOM 1227 N ALA A 79 -9.664 -4.424 -5.340 1.00 0.00 N ATOM 1228 CA ALA A 79 -9.223 -4.755 -3.955 1.00 0.00 C ATOM 1229 C ALA A 79 -9.926 -3.908 -2.889 1.00 0.00 C ATOM 1230 O ALA A 79 -10.092 -4.325 -1.737 1.00 0.00 O ATOM 1231 CB ALA A 79 -7.719 -4.565 -3.844 1.00 0.00 C ATOM 0 H ALA A 79 -8.891 -4.173 -5.956 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.494 -5.794 -3.770 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.395 -4.807 -2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.216 -5.223 -4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.466 -3.529 -4.068 1.00 0.00 H new ATOM 1237 N ARG A 80 -10.357 -2.748 -3.297 1.00 0.00 N ATOM 1238 CA ARG A 80 -11.010 -1.780 -2.434 1.00 0.00 C ATOM 1239 C ARG A 80 -12.352 -2.271 -1.885 1.00 0.00 C ATOM 1240 O ARG A 80 -12.803 -1.795 -0.844 1.00 0.00 O ATOM 1241 CB ARG A 80 -11.202 -0.499 -3.198 1.00 0.00 C ATOM 1242 CG ARG A 80 -12.029 -0.664 -4.451 1.00 0.00 C ATOM 1243 CD ARG A 80 -11.983 0.581 -5.280 1.00 0.00 C ATOM 1244 NE ARG A 80 -12.503 1.735 -4.551 1.00 0.00 N ATOM 1245 CZ ARG A 80 -12.055 2.978 -4.675 1.00 0.00 C ATOM 1246 NH1 ARG A 80 -11.324 3.332 -5.718 1.00 0.00 N ATOM 1247 NH2 ARG A 80 -12.400 3.893 -3.795 1.00 0.00 N ATOM 0 H ARG A 80 -10.266 -2.433 -4.263 1.00 0.00 H new ATOM 0 HA ARG A 80 -10.365 -1.622 -1.569 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -11.682 0.234 -2.549 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -10.226 -0.096 -3.467 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -11.656 -1.508 -5.031 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.061 -0.892 -4.185 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -10.955 0.777 -5.586 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -12.564 0.434 -6.190 1.00 0.00 H new ATOM 0 HE ARG A 80 -13.269 1.573 -3.897 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -11.098 2.647 -6.439 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -10.986 4.291 -5.802 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -13.012 3.647 -3.017 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -12.055 4.848 -3.891 1.00 0.00 H new ATOM 1261 N ARG A 81 -12.964 -3.257 -2.545 1.00 0.00 N ATOM 1262 CA ARG A 81 -14.278 -3.756 -2.117 1.00 0.00 C ATOM 1263 C ARG A 81 -14.177 -4.460 -0.767 1.00 0.00 C ATOM 1264 O ARG A 81 -15.162 -4.584 -0.035 1.00 0.00 O ATOM 1265 CB ARG A 81 -14.897 -4.683 -3.173 1.00 0.00 C ATOM 1266 CG ARG A 81 -14.992 -4.049 -4.552 1.00 0.00 C ATOM 1267 CD ARG A 81 -15.735 -4.931 -5.543 1.00 0.00 C ATOM 1268 NE ARG A 81 -15.598 -4.421 -6.916 1.00 0.00 N ATOM 1269 CZ ARG A 81 -16.402 -3.513 -7.503 1.00 0.00 C ATOM 1270 NH1 ARG A 81 -17.492 -3.073 -6.883 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -16.119 -3.056 -8.719 1.00 0.00 N ATOM 0 H ARG A 81 -12.579 -3.722 -3.367 1.00 0.00 H new ATOM 0 HA ARG A 81 -14.939 -2.896 -2.005 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.302 -5.594 -3.240 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.895 -4.978 -2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.500 -3.088 -4.473 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.988 -3.850 -4.928 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.348 -5.948 -5.490 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.790 -4.977 -5.273 1.00 0.00 H new ATOM 0 HE ARG A 81 -14.826 -4.787 -7.473 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -17.727 -3.423 -5.954 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -18.094 -2.385 -7.336 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -15.291 -3.393 -9.210 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -16.730 -2.369 -9.160 1.00 0.00 H new ATOM 1285 N ALA A 82 -12.972 -4.871 -0.423 1.00 0.00 N ATOM 1286 CA ALA A 82 -12.719 -5.529 0.840 1.00 0.00 C ATOM 1287 C ALA A 82 -12.343 -4.520 1.910 1.00 0.00 C ATOM 1288 O ALA A 82 -12.351 -4.827 3.097 1.00 0.00 O ATOM 1289 CB ALA A 82 -11.609 -6.523 0.678 1.00 0.00 C ATOM 0 H ALA A 82 -12.145 -4.758 -1.010 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.630 -6.040 1.150 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.421 -7.017 1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.893 -7.267 -0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.705 -6.009 0.351 1.00 0.00 H new ATOM 1295 N VAL A 83 -12.018 -3.321 1.487 1.00 0.00 N ATOM 1296 CA VAL A 83 -11.617 -2.274 2.406 1.00 0.00 C ATOM 1297 C VAL A 83 -12.857 -1.521 2.862 1.00 0.00 C ATOM 1298 O VAL A 83 -13.015 -1.188 4.043 1.00 0.00 O ATOM 1299 CB VAL A 83 -10.627 -1.285 1.728 1.00 0.00 C ATOM 1300 CG1 VAL A 83 -10.111 -0.248 2.722 1.00 0.00 C ATOM 1301 CG2 VAL A 83 -9.470 -2.039 1.087 1.00 0.00 C ATOM 0 H VAL A 83 -12.023 -3.042 0.506 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.112 -2.727 3.259 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.169 -0.754 0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.421 0.428 2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -10.950 0.321 3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.593 -0.752 3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -8.789 -1.329 0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.936 -2.604 1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.856 -2.724 0.332 1.00 0.00 H new ATOM 1311 N ALA A 84 -13.776 -1.345 1.924 1.00 0.00 N ATOM 1312 CA ALA A 84 -15.021 -0.607 2.127 1.00 0.00 C ATOM 1313 C ALA A 84 -16.074 -1.423 2.916 1.00 0.00 C ATOM 1314 O ALA A 84 -17.278 -1.205 2.768 1.00 0.00 O ATOM 1315 CB ALA A 84 -15.576 -0.188 0.774 1.00 0.00 C ATOM 0 H ALA A 84 -13.678 -1.718 0.980 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.797 0.273 2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -16.505 0.363 0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.852 0.448 0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -15.769 -1.074 0.170 1.00 0.00 H new ATOM 1321 N SER A 85 -15.614 -2.312 3.778 1.00 0.00 N ATOM 1322 CA SER A 85 -16.484 -3.104 4.632 1.00 0.00 C ATOM 1323 C SER A 85 -16.885 -2.277 5.865 1.00 0.00 C ATOM 1324 O SER A 85 -17.719 -2.687 6.679 1.00 0.00 O ATOM 1325 CB SER A 85 -15.756 -4.378 5.037 1.00 0.00 C ATOM 1326 OG SER A 85 -15.291 -5.058 3.870 1.00 0.00 O ATOM 0 H SER A 85 -14.621 -2.507 3.907 1.00 0.00 H new ATOM 0 HA SER A 85 -17.393 -3.378 4.097 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.916 -4.137 5.688 1.00 0.00 H new ATOM 0 HB3 SER A 85 -16.424 -5.025 5.605 1.00 0.00 H new ATOM 0 HG SER A 85 -14.333 -4.888 3.752 1.00 0.00 H new ATOM 1332 N HIS A 86 -16.251 -1.128 5.987 1.00 0.00 N ATOM 1333 CA HIS A 86 -16.549 -0.142 6.998 1.00 0.00 C ATOM 1334 C HIS A 86 -16.788 1.164 6.282 1.00 0.00 C ATOM 1335 O HIS A 86 -15.973 1.573 5.443 1.00 0.00 O ATOM 1336 CB HIS A 86 -15.385 0.030 7.996 1.00 0.00 C ATOM 1337 CG HIS A 86 -15.145 -1.132 8.915 1.00 0.00 C ATOM 1338 ND1 HIS A 86 -15.518 -1.141 10.241 1.00 0.00 N ATOM 1339 CD2 HIS A 86 -14.526 -2.319 8.694 1.00 0.00 C ATOM 1340 CE1 HIS A 86 -15.132 -2.292 10.780 1.00 0.00 C ATOM 1341 NE2 HIS A 86 -14.516 -3.054 9.880 1.00 0.00 N ATOM 0 H HIS A 86 -15.492 -0.849 5.365 1.00 0.00 H new ATOM 0 HA HIS A 86 -17.420 -0.461 7.571 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -14.471 0.220 7.433 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -15.576 0.916 8.601 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -14.108 -2.643 7.752 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -15.296 -2.572 11.810 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -14.119 -3.982 10.026 1.00 0.00 H new ATOM 1349 N ASP A 87 -17.899 1.785 6.545 1.00 0.00 N ATOM 1350 CA ASP A 87 -18.228 3.041 5.892 1.00 0.00 C ATOM 1351 C ASP A 87 -17.709 4.209 6.676 1.00 0.00 C ATOM 1352 O ASP A 87 -17.132 5.139 6.100 1.00 0.00 O ATOM 1353 CB ASP A 87 -19.738 3.210 5.666 1.00 0.00 C ATOM 1354 CG ASP A 87 -20.299 2.326 4.574 1.00 0.00 C ATOM 1355 OD1 ASP A 87 -20.301 2.750 3.391 1.00 0.00 O ATOM 1356 OD2 ASP A 87 -20.769 1.209 4.872 1.00 0.00 O ATOM 0 H ASP A 87 -18.601 1.452 7.206 1.00 0.00 H new ATOM 0 HA ASP A 87 -17.743 3.012 4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -20.261 2.995 6.598 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -19.944 4.251 5.418 1.00 0.00 H new ATOM 1361 N GLU A 88 -17.937 4.171 7.996 1.00 0.00 N ATOM 1362 CA GLU A 88 -17.562 5.236 8.960 1.00 0.00 C ATOM 1363 C GLU A 88 -18.451 6.495 8.787 1.00 0.00 C ATOM 1364 O GLU A 88 -18.915 7.079 9.770 1.00 0.00 O ATOM 1365 CB GLU A 88 -16.046 5.565 8.923 1.00 0.00 C ATOM 1366 CG GLU A 88 -15.159 4.348 9.195 1.00 0.00 C ATOM 1367 CD GLU A 88 -13.681 4.664 9.243 1.00 0.00 C ATOM 1368 OE1 GLU A 88 -13.069 4.906 8.183 1.00 0.00 O ATOM 1369 OE2 GLU A 88 -13.089 4.644 10.352 1.00 0.00 O ATOM 0 H GLU A 88 -18.400 3.380 8.444 1.00 0.00 H new ATOM 0 HA GLU A 88 -17.755 4.846 9.959 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.794 5.979 7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -15.830 6.337 9.662 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.455 3.900 10.143 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.336 3.602 8.420 1.00 0.00 H new ATOM 1376 N LEU A 89 -18.670 6.882 7.545 1.00 0.00 N ATOM 1377 CA LEU A 89 -19.558 7.951 7.163 1.00 0.00 C ATOM 1378 C LEU A 89 -20.026 7.713 5.722 1.00 0.00 C ATOM 1379 O LEU A 89 -19.289 8.026 4.764 1.00 0.00 O ATOM 1380 CB LEU A 89 -18.963 9.394 7.369 1.00 0.00 C ATOM 1381 CG LEU A 89 -17.656 9.793 6.636 1.00 0.00 C ATOM 1382 CD1 LEU A 89 -17.443 11.293 6.744 1.00 0.00 C ATOM 1383 CD2 LEU A 89 -16.446 9.081 7.228 1.00 0.00 C ATOM 1384 OXT LEU A 89 -21.128 7.155 5.539 1.00 0.00 O ATOM 0 H LEU A 89 -18.214 6.440 6.747 1.00 0.00 H new ATOM 0 HA LEU A 89 -20.413 7.927 7.838 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -19.732 10.109 7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -18.792 9.527 8.437 1.00 0.00 H new ATOM 0 HG LEU A 89 -17.759 9.498 5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -16.523 11.568 6.227 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -18.285 11.814 6.288 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -17.367 11.575 7.794 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.547 9.383 6.691 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -16.346 9.347 8.280 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -16.578 8.003 7.137 1.00 0.00 H new TER 1396 LEU A 89