USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 817 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 34 HIS : no HE2:sc= -12.1! C(o=-15!,f=-17!) USER MOD Set 1.2: A 106 ASN : amide:sc= -2.68 K(o=-15,f=-16!) USER MOD Set 2.1: A 64 CYS SG : rot 87:sc= -6.56! USER MOD Set 2.2: A 70 THR OG1 : rot -160:sc= -0.649 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0783 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -4.58! C(o=-4.6!,f=-5.6!) USER MOD Single : A 20 LYS NZ :NH3+ -149:sc= -0.671 (180deg=-2.17!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0.487 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0292 USER MOD Single : A 48 GLN : amide:sc= 0.64 K(o=0.64,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -157:sc= -2.39! (180deg=-3.39!) USER MOD Single : A 57 HIS : no HD1:sc= -2.16! C(o=-2.2!,f=-15!) USER MOD Single : A 59 GLN : amide:sc= -0.86 K(o=-0.86,f=-0.27) USER MOD Single : A 63 HIS : no HE2:sc= -3.25! C(o=-3.2!,f=-11!) USER MOD Single : A 65 GLN : amide:sc= -1.34 K(o=-1.3,f=-7.6!) USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= -0.0391 (180deg=-0.424) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.013 X(o=-0.013,f=0.29) USER MOD Single : A 73 ASN : amide:sc= -0.668 X(o=-0.67,f=-0.75) USER MOD Single : A 76 LYS NZ :NH3+ 177:sc= -0.598! (180deg=-0.732) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00976) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 3 7.941 -1.125 11.249 1.00 0.00 N ATOM 29 CA LEU A 3 7.342 -0.552 10.049 1.00 0.00 C ATOM 30 C LEU A 3 7.855 0.868 9.839 1.00 0.00 C ATOM 31 O LEU A 3 7.382 1.809 10.476 1.00 0.00 O ATOM 32 CB LEU A 3 5.820 -0.537 10.179 1.00 0.00 C ATOM 33 CG LEU A 3 5.434 -0.030 11.569 1.00 0.00 C ATOM 34 CD1 LEU A 3 4.310 0.999 11.443 1.00 0.00 C ATOM 35 CD2 LEU A 3 4.955 -1.205 12.425 1.00 0.00 C ATOM 0 HA LEU A 3 7.620 -1.163 9.190 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.385 0.104 9.412 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.421 -1.539 10.021 1.00 0.00 H new ATOM 0 HG LEU A 3 6.301 0.434 12.040 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.035 1.360 12.434 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.650 1.836 10.833 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.443 0.535 10.972 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.680 -0.845 13.416 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.088 -1.669 11.954 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.755 -1.939 12.515 1.00 0.00 H new ATOM 47 N THR A 4 8.833 1.010 8.953 1.00 0.00 N ATOM 48 CA THR A 4 9.416 2.317 8.674 1.00 0.00 C ATOM 49 C THR A 4 8.671 3.014 7.540 1.00 0.00 C ATOM 50 O THR A 4 8.038 2.366 6.708 1.00 0.00 O ATOM 51 CB THR A 4 10.888 2.151 8.293 1.00 0.00 C ATOM 52 OG1 THR A 4 11.584 1.521 9.361 1.00 0.00 O ATOM 53 CG2 THR A 4 11.506 3.522 8.017 1.00 0.00 C ATOM 0 H THR A 4 9.237 0.241 8.418 1.00 0.00 H new ATOM 0 HA THR A 4 9.333 2.931 9.571 1.00 0.00 H new ATOM 0 HB THR A 4 10.963 1.536 7.396 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.527 1.412 9.118 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.555 3.400 7.746 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.973 4.003 7.197 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.432 4.141 8.911 1.00 0.00 H new ATOM 61 N THR A 5 8.760 4.341 7.512 1.00 0.00 N ATOM 62 CA THR A 5 8.099 5.119 6.472 1.00 0.00 C ATOM 63 C THR A 5 8.992 5.217 5.242 1.00 0.00 C ATOM 64 O THR A 5 10.218 5.184 5.353 1.00 0.00 O ATOM 65 CB THR A 5 7.778 6.524 6.989 1.00 0.00 C ATOM 66 OG1 THR A 5 8.801 6.943 7.881 1.00 0.00 O ATOM 67 CG2 THR A 5 6.435 6.504 7.721 1.00 0.00 C ATOM 0 H THR A 5 9.280 4.895 8.193 1.00 0.00 H new ATOM 0 HA THR A 5 7.170 4.618 6.199 1.00 0.00 H new ATOM 0 HB THR A 5 7.721 7.218 6.150 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.598 7.843 8.212 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.206 7.504 8.089 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.652 6.182 7.035 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.489 5.812 8.561 1.00 0.00 H new ATOM 75 N ILE A 6 8.379 5.332 4.069 1.00 0.00 N ATOM 76 CA ILE A 6 9.147 5.429 2.834 1.00 0.00 C ATOM 77 C ILE A 6 8.478 6.375 1.847 1.00 0.00 C ATOM 78 O ILE A 6 7.301 6.711 1.981 1.00 0.00 O ATOM 79 CB ILE A 6 9.312 4.032 2.206 1.00 0.00 C ATOM 80 CG1 ILE A 6 10.798 3.688 2.128 1.00 0.00 C ATOM 81 CG2 ILE A 6 8.713 3.988 0.795 1.00 0.00 C ATOM 82 CD1 ILE A 6 10.962 2.189 1.873 1.00 0.00 C ATOM 0 H ILE A 6 7.367 5.360 3.948 1.00 0.00 H new ATOM 0 HA ILE A 6 10.131 5.832 3.073 1.00 0.00 H new ATOM 0 HB ILE A 6 8.786 3.309 2.830 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.273 4.258 1.329 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.296 3.966 3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.843 2.991 0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 6 7.650 4.225 0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.219 4.717 0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 6 12.022 1.943 1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.502 1.629 2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.478 1.925 0.932 1.00 0.00 H new ATOM 94 N SER A 7 9.245 6.787 0.845 1.00 0.00 N ATOM 95 CA SER A 7 8.735 7.682 -0.184 1.00 0.00 C ATOM 96 C SER A 7 8.662 6.948 -1.518 1.00 0.00 C ATOM 97 O SER A 7 9.459 6.049 -1.784 1.00 0.00 O ATOM 98 CB SER A 7 9.647 8.901 -0.316 1.00 0.00 C ATOM 99 OG SER A 7 9.459 9.753 0.806 1.00 0.00 O ATOM 0 H SER A 7 10.221 6.516 0.724 1.00 0.00 H new ATOM 0 HA SER A 7 7.736 8.014 0.099 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.688 8.585 -0.377 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.423 9.439 -1.237 1.00 0.00 H new ATOM 0 HG SER A 7 10.044 10.535 0.725 1.00 0.00 H new ATOM 105 N PRO A 8 7.732 7.311 -2.355 1.00 0.00 N ATOM 106 CA PRO A 8 7.560 6.670 -3.685 1.00 0.00 C ATOM 107 C PRO A 8 8.900 6.404 -4.365 1.00 0.00 C ATOM 108 O PRO A 8 9.005 5.546 -5.242 1.00 0.00 O ATOM 109 CB PRO A 8 6.741 7.693 -4.470 1.00 0.00 C ATOM 110 CG PRO A 8 5.969 8.463 -3.447 1.00 0.00 C ATOM 111 CD PRO A 8 6.741 8.374 -2.127 1.00 0.00 C ATOM 0 HA PRO A 8 7.078 5.695 -3.617 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.388 8.351 -5.049 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.073 7.201 -5.176 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.854 9.502 -3.755 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.966 8.052 -3.333 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.223 9.321 -1.884 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.080 8.130 -1.296 1.00 0.00 H new ATOM 119 N HIS A 9 9.918 7.152 -3.955 1.00 0.00 N ATOM 120 CA HIS A 9 11.249 6.999 -4.529 1.00 0.00 C ATOM 121 C HIS A 9 11.854 5.647 -4.164 1.00 0.00 C ATOM 122 O HIS A 9 12.523 5.019 -4.986 1.00 0.00 O ATOM 123 CB HIS A 9 12.167 8.118 -4.035 1.00 0.00 C ATOM 124 CG HIS A 9 13.136 8.489 -5.126 1.00 0.00 C ATOM 125 ND1 HIS A 9 14.419 7.968 -5.184 1.00 0.00 N ATOM 126 CD2 HIS A 9 13.023 9.329 -6.206 1.00 0.00 C ATOM 127 CE1 HIS A 9 15.022 8.496 -6.265 1.00 0.00 C ATOM 128 NE2 HIS A 9 14.216 9.332 -6.924 1.00 0.00 N ATOM 0 H HIS A 9 9.848 7.867 -3.231 1.00 0.00 H new ATOM 0 HA HIS A 9 11.154 7.055 -5.613 1.00 0.00 H new ATOM 0 HB2 HIS A 9 11.576 8.988 -3.747 1.00 0.00 H new ATOM 0 HB3 HIS A 9 12.709 7.793 -3.147 1.00 0.00 H new ATOM 0 HD2 HIS A 9 12.143 9.901 -6.460 1.00 0.00 H new ATOM 0 HE1 HIS A 9 16.035 8.271 -6.563 1.00 0.00 H new ATOM 0 HE2 HIS A 9 14.428 9.859 -7.771 1.00 0.00 H new ATOM 136 N ASP A 10 11.625 5.199 -2.933 1.00 0.00 N ATOM 137 CA ASP A 10 12.167 3.919 -2.498 1.00 0.00 C ATOM 138 C ASP A 10 11.382 2.771 -3.118 1.00 0.00 C ATOM 139 O ASP A 10 11.951 1.894 -3.768 1.00 0.00 O ATOM 140 CB ASP A 10 12.110 3.819 -0.975 1.00 0.00 C ATOM 141 CG ASP A 10 13.235 2.924 -0.469 1.00 0.00 C ATOM 142 OD1 ASP A 10 13.479 1.903 -1.090 1.00 0.00 O ATOM 143 OD2 ASP A 10 13.838 3.273 0.533 1.00 0.00 O ATOM 0 H ASP A 10 11.077 5.695 -2.230 1.00 0.00 H new ATOM 0 HA ASP A 10 13.205 3.852 -2.825 1.00 0.00 H new ATOM 0 HB2 ASP A 10 12.198 4.812 -0.534 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.146 3.416 -0.665 1.00 0.00 H new ATOM 148 N ALA A 11 10.069 2.784 -2.917 1.00 0.00 N ATOM 149 CA ALA A 11 9.212 1.740 -3.464 1.00 0.00 C ATOM 150 C ALA A 11 9.592 1.447 -4.912 1.00 0.00 C ATOM 151 O ALA A 11 9.602 0.293 -5.340 1.00 0.00 O ATOM 152 CB ALA A 11 7.748 2.177 -3.394 1.00 0.00 C ATOM 0 H ALA A 11 9.578 3.501 -2.383 1.00 0.00 H new ATOM 0 HA ALA A 11 9.346 0.834 -2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.114 1.391 -3.805 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.472 2.360 -2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.613 3.091 -3.972 1.00 0.00 H new ATOM 158 N GLN A 12 9.908 2.500 -5.659 1.00 0.00 N ATOM 159 CA GLN A 12 10.290 2.346 -7.059 1.00 0.00 C ATOM 160 C GLN A 12 11.550 1.493 -7.181 1.00 0.00 C ATOM 161 O GLN A 12 11.627 0.603 -8.029 1.00 0.00 O ATOM 162 CB GLN A 12 10.541 3.720 -7.684 1.00 0.00 C ATOM 163 CG GLN A 12 10.379 3.626 -9.202 1.00 0.00 C ATOM 164 CD GLN A 12 11.305 2.551 -9.758 1.00 0.00 C ATOM 165 OE1 GLN A 12 10.858 1.450 -10.079 1.00 0.00 O ATOM 166 NE2 GLN A 12 12.578 2.804 -9.889 1.00 0.00 N ATOM 0 H GLN A 12 9.907 3.463 -5.322 1.00 0.00 H new ATOM 0 HA GLN A 12 9.476 1.849 -7.586 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.841 4.450 -7.277 1.00 0.00 H new ATOM 0 HB3 GLN A 12 11.544 4.067 -7.435 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.344 3.391 -9.452 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.608 4.588 -9.661 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.947 3.717 -9.622 1.00 0.00 H new ATOM 0 HE22 GLN A 12 13.205 2.089 -10.258 1.00 0.00 H new ATOM 175 N GLU A 13 12.535 1.770 -6.331 1.00 0.00 N ATOM 176 CA GLU A 13 13.787 1.021 -6.356 1.00 0.00 C ATOM 177 C GLU A 13 13.542 -0.449 -6.030 1.00 0.00 C ATOM 178 O GLU A 13 14.186 -1.334 -6.593 1.00 0.00 O ATOM 179 CB GLU A 13 14.769 1.612 -5.340 1.00 0.00 C ATOM 180 CG GLU A 13 15.251 2.979 -5.829 1.00 0.00 C ATOM 181 CD GLU A 13 16.752 3.116 -5.597 1.00 0.00 C ATOM 182 OE1 GLU A 13 17.506 2.572 -6.387 1.00 0.00 O ATOM 183 OE2 GLU A 13 17.126 3.763 -4.632 1.00 0.00 O ATOM 0 H GLU A 13 12.491 2.502 -5.622 1.00 0.00 H new ATOM 0 HA GLU A 13 14.210 1.093 -7.358 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.286 1.712 -4.368 1.00 0.00 H new ATOM 0 HB3 GLU A 13 15.618 0.942 -5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 13 15.026 3.095 -6.889 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.719 3.771 -5.302 1.00 0.00 H new ATOM 190 N LEU A 14 12.612 -0.701 -5.116 1.00 0.00 N ATOM 191 CA LEU A 14 12.294 -2.069 -4.720 1.00 0.00 C ATOM 192 C LEU A 14 11.522 -2.783 -5.822 1.00 0.00 C ATOM 193 O LEU A 14 11.796 -3.942 -6.131 1.00 0.00 O ATOM 194 CB LEU A 14 11.464 -2.060 -3.437 1.00 0.00 C ATOM 195 CG LEU A 14 12.123 -1.136 -2.414 1.00 0.00 C ATOM 196 CD1 LEU A 14 11.297 -1.140 -1.130 1.00 0.00 C ATOM 197 CD2 LEU A 14 13.536 -1.637 -2.112 1.00 0.00 C ATOM 0 H LEU A 14 12.068 0.018 -4.638 1.00 0.00 H new ATOM 0 HA LEU A 14 13.229 -2.602 -4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.450 -1.722 -3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.386 -3.070 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 14 12.175 -0.123 -2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.762 -0.482 -0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.288 -0.787 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.250 -2.153 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 14 14.007 -0.979 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.485 -2.648 -1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 14 14.124 -1.642 -3.030 1.00 0.00 H new ATOM 209 N ILE A 15 10.560 -2.087 -6.417 1.00 0.00 N ATOM 210 CA ILE A 15 9.766 -2.676 -7.487 1.00 0.00 C ATOM 211 C ILE A 15 10.687 -3.288 -8.533 1.00 0.00 C ATOM 212 O ILE A 15 10.289 -4.178 -9.287 1.00 0.00 O ATOM 213 CB ILE A 15 8.889 -1.608 -8.139 1.00 0.00 C ATOM 214 CG1 ILE A 15 7.776 -1.202 -7.169 1.00 0.00 C ATOM 215 CG2 ILE A 15 8.267 -2.171 -9.418 1.00 0.00 C ATOM 216 CD1 ILE A 15 7.245 0.182 -7.550 1.00 0.00 C ATOM 0 H ILE A 15 10.313 -1.126 -6.180 1.00 0.00 H new ATOM 0 HA ILE A 15 9.128 -3.453 -7.067 1.00 0.00 H new ATOM 0 HB ILE A 15 9.497 -0.737 -8.382 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.969 -1.934 -7.199 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.156 -1.189 -6.148 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.641 -1.410 -9.884 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.058 -2.463 -10.109 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.658 -3.042 -9.174 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.453 0.471 -6.859 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.055 0.910 -7.498 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.849 0.153 -8.565 1.00 0.00 H new ATOM 228 N ALA A 16 11.923 -2.806 -8.566 1.00 0.00 N ATOM 229 CA ALA A 16 12.906 -3.311 -9.515 1.00 0.00 C ATOM 230 C ALA A 16 13.534 -4.596 -8.986 1.00 0.00 C ATOM 231 O ALA A 16 14.095 -5.385 -9.746 1.00 0.00 O ATOM 232 CB ALA A 16 13.995 -2.261 -9.749 1.00 0.00 C ATOM 0 H ALA A 16 12.267 -2.070 -7.950 1.00 0.00 H new ATOM 0 HA ALA A 16 12.405 -3.523 -10.460 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.726 -2.647 -10.460 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.545 -1.353 -10.149 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.491 -2.035 -8.805 1.00 0.00 H new ATOM 238 N ARG A 17 13.433 -4.797 -7.674 1.00 0.00 N ATOM 239 CA ARG A 17 13.989 -5.989 -7.045 1.00 0.00 C ATOM 240 C ARG A 17 12.925 -7.075 -6.927 1.00 0.00 C ATOM 241 O ARG A 17 13.142 -8.217 -7.335 1.00 0.00 O ATOM 242 CB ARG A 17 14.526 -5.645 -5.654 1.00 0.00 C ATOM 243 CG ARG A 17 16.055 -5.690 -5.668 1.00 0.00 C ATOM 244 CD ARG A 17 16.584 -5.497 -4.245 1.00 0.00 C ATOM 245 NE ARG A 17 17.668 -4.523 -4.239 1.00 0.00 N ATOM 246 CZ ARG A 17 17.985 -3.855 -3.135 1.00 0.00 C ATOM 247 NH1 ARG A 17 17.320 -4.066 -2.032 1.00 0.00 N ATOM 248 NH2 ARG A 17 18.960 -2.988 -3.154 1.00 0.00 N ATOM 0 H ARG A 17 12.974 -4.153 -7.030 1.00 0.00 H new ATOM 0 HA ARG A 17 14.804 -6.359 -7.667 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.184 -4.654 -5.356 1.00 0.00 H new ATOM 0 HB3 ARG A 17 14.138 -6.350 -4.919 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.398 -6.644 -6.069 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.446 -4.911 -6.322 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.779 -5.160 -3.592 1.00 0.00 H new ATOM 0 HD3 ARG A 17 16.938 -6.449 -3.849 1.00 0.00 H new ATOM 0 HE ARG A 17 18.192 -4.351 -5.097 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.558 -4.743 -2.018 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.563 -3.554 -1.184 1.00 0.00 H new ATOM 0 HH21 ARG A 17 19.479 -2.823 -4.016 1.00 0.00 H new ATOM 0 HH22 ARG A 17 19.203 -2.475 -2.306 1.00 0.00 H new ATOM 262 N GLY A 18 11.773 -6.714 -6.367 1.00 0.00 N ATOM 263 CA GLY A 18 10.684 -7.673 -6.205 1.00 0.00 C ATOM 264 C GLY A 18 9.843 -7.358 -4.971 1.00 0.00 C ATOM 265 O GLY A 18 9.329 -8.265 -4.316 1.00 0.00 O ATOM 0 H GLY A 18 11.571 -5.776 -6.022 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.051 -7.660 -7.092 1.00 0.00 H new ATOM 0 HA3 GLY A 18 11.093 -8.680 -6.121 1.00 0.00 H new ATOM 269 N ALA A 19 9.699 -6.073 -4.662 1.00 0.00 N ATOM 270 CA ALA A 19 8.909 -5.665 -3.507 1.00 0.00 C ATOM 271 C ALA A 19 7.454 -6.088 -3.687 1.00 0.00 C ATOM 272 O ALA A 19 7.093 -6.681 -4.704 1.00 0.00 O ATOM 273 CB ALA A 19 8.988 -4.148 -3.325 1.00 0.00 C ATOM 0 H ALA A 19 10.114 -5.305 -5.189 1.00 0.00 H new ATOM 0 HA ALA A 19 9.313 -6.152 -2.619 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.394 -3.854 -2.459 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.026 -3.854 -3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.600 -3.654 -4.216 1.00 0.00 H new ATOM 279 N LYS A 20 6.622 -5.783 -2.695 1.00 0.00 N ATOM 280 CA LYS A 20 5.211 -6.143 -2.765 1.00 0.00 C ATOM 281 C LYS A 20 4.328 -4.966 -2.359 1.00 0.00 C ATOM 282 O LYS A 20 4.110 -4.722 -1.173 1.00 0.00 O ATOM 283 CB LYS A 20 4.932 -7.333 -1.842 1.00 0.00 C ATOM 284 CG LYS A 20 4.581 -8.564 -2.679 1.00 0.00 C ATOM 285 CD LYS A 20 3.144 -8.443 -3.188 1.00 0.00 C ATOM 286 CE LYS A 20 2.179 -8.964 -2.121 1.00 0.00 C ATOM 287 NZ LYS A 20 2.610 -10.322 -1.685 1.00 0.00 N ATOM 0 H LYS A 20 6.897 -5.293 -1.843 1.00 0.00 H new ATOM 0 HA LYS A 20 4.978 -6.414 -3.795 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.806 -7.539 -1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.111 -7.096 -1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.269 -8.654 -3.519 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.691 -9.468 -2.079 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.916 -7.403 -3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.025 -9.011 -4.110 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.161 -8.285 -1.269 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.165 -9.003 -2.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.776 -10.879 -1.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.101 -10.798 -2.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.254 -10.238 -0.873 1.00 0.00 H new ATOM 301 N LEU A 21 3.814 -4.247 -3.351 1.00 0.00 N ATOM 302 CA LEU A 21 2.946 -3.107 -3.084 1.00 0.00 C ATOM 303 C LEU A 21 1.505 -3.578 -2.913 1.00 0.00 C ATOM 304 O LEU A 21 1.013 -4.387 -3.700 1.00 0.00 O ATOM 305 CB LEU A 21 3.030 -2.103 -4.235 1.00 0.00 C ATOM 306 CG LEU A 21 4.394 -1.408 -4.206 1.00 0.00 C ATOM 307 CD1 LEU A 21 5.256 -1.918 -5.364 1.00 0.00 C ATOM 308 CD2 LEU A 21 4.199 0.104 -4.343 1.00 0.00 C ATOM 0 H LEU A 21 3.982 -4.432 -4.340 1.00 0.00 H new ATOM 0 HA LEU A 21 3.274 -2.622 -2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.890 -2.613 -5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.232 -1.366 -4.148 1.00 0.00 H new ATOM 0 HG LEU A 21 4.891 -1.627 -3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.226 -1.422 -5.341 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.396 -2.994 -5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.760 -1.701 -6.310 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.170 0.599 -4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.700 0.322 -5.287 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.588 0.468 -3.517 1.00 0.00 H new ATOM 320 N ILE A 22 0.838 -3.083 -1.877 1.00 0.00 N ATOM 321 CA ILE A 22 -0.541 -3.482 -1.617 1.00 0.00 C ATOM 322 C ILE A 22 -1.433 -2.279 -1.349 1.00 0.00 C ATOM 323 O ILE A 22 -1.026 -1.321 -0.693 1.00 0.00 O ATOM 324 CB ILE A 22 -0.599 -4.408 -0.406 1.00 0.00 C ATOM 325 CG1 ILE A 22 0.436 -5.524 -0.561 1.00 0.00 C ATOM 326 CG2 ILE A 22 -1.999 -5.019 -0.297 1.00 0.00 C ATOM 327 CD1 ILE A 22 0.240 -6.553 0.553 1.00 0.00 C ATOM 0 H ILE A 22 1.223 -2.413 -1.211 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.902 -3.996 -2.508 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.380 -3.837 0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.330 -6.001 -1.535 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.443 -5.110 -0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.041 -5.681 0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.735 -4.224 -0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.219 -5.588 -1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.976 -7.350 0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.367 -6.069 1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.763 -6.974 0.487 1.00 0.00 H new ATOM 339 N ASP A 23 -2.663 -2.354 -1.842 1.00 0.00 N ATOM 340 CA ASP A 23 -3.628 -1.285 -1.634 1.00 0.00 C ATOM 341 C ASP A 23 -4.648 -1.719 -0.587 1.00 0.00 C ATOM 342 O ASP A 23 -5.052 -2.881 -0.550 1.00 0.00 O ATOM 343 CB ASP A 23 -4.341 -0.954 -2.947 1.00 0.00 C ATOM 344 CG ASP A 23 -4.732 0.520 -2.970 1.00 0.00 C ATOM 345 OD1 ASP A 23 -3.852 1.342 -3.165 1.00 0.00 O ATOM 346 OD2 ASP A 23 -5.905 0.805 -2.791 1.00 0.00 O ATOM 0 H ASP A 23 -3.014 -3.142 -2.387 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.105 -0.394 -1.285 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.689 -1.179 -3.791 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.229 -1.576 -3.055 1.00 0.00 H new ATOM 351 N ILE A 24 -5.063 -0.788 0.262 1.00 0.00 N ATOM 352 CA ILE A 24 -6.037 -1.107 1.300 1.00 0.00 C ATOM 353 C ILE A 24 -6.933 0.093 1.588 1.00 0.00 C ATOM 354 O ILE A 24 -6.654 0.916 2.458 1.00 0.00 O ATOM 355 CB ILE A 24 -5.331 -1.605 2.575 1.00 0.00 C ATOM 356 CG1 ILE A 24 -4.567 -0.476 3.288 1.00 0.00 C ATOM 357 CG2 ILE A 24 -4.340 -2.706 2.196 1.00 0.00 C ATOM 358 CD1 ILE A 24 -3.854 0.419 2.271 1.00 0.00 C ATOM 0 H ILE A 24 -4.746 0.182 0.255 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.674 -1.914 0.939 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.095 -1.980 3.256 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.260 0.120 3.882 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.839 -0.902 3.979 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.835 -3.065 3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.875 -3.531 1.726 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.603 -2.308 1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.320 1.211 2.795 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.146 -0.177 1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.588 0.861 1.597 1.00 0.00 H new ATOM 370 N ARG A 25 -8.018 0.175 0.830 1.00 0.00 N ATOM 371 CA ARG A 25 -8.978 1.263 0.967 1.00 0.00 C ATOM 372 C ARG A 25 -10.269 0.902 0.238 1.00 0.00 C ATOM 373 O ARG A 25 -10.670 -0.262 0.211 1.00 0.00 O ATOM 374 CB ARG A 25 -8.390 2.546 0.374 1.00 0.00 C ATOM 375 CG ARG A 25 -8.125 2.339 -1.119 1.00 0.00 C ATOM 376 CD ARG A 25 -7.666 3.656 -1.749 1.00 0.00 C ATOM 377 NE ARG A 25 -6.284 3.540 -2.204 1.00 0.00 N ATOM 378 CZ ARG A 25 -5.869 4.151 -3.309 1.00 0.00 C ATOM 379 NH1 ARG A 25 -6.701 4.872 -4.009 1.00 0.00 N ATOM 380 NH2 ARG A 25 -4.628 4.030 -3.693 1.00 0.00 N ATOM 0 H ARG A 25 -8.257 -0.505 0.108 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.195 1.423 2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -9.080 3.377 0.521 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.464 2.806 0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.363 1.572 -1.260 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -9.030 1.984 -1.613 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.313 3.912 -2.588 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.751 4.465 -1.023 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.625 2.980 -1.664 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.671 4.967 -3.708 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.381 5.340 -4.857 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.977 3.467 -3.145 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.309 4.498 -4.541 1.00 0.00 H new ATOM 394 N ASP A 26 -10.911 1.897 -0.362 1.00 0.00 N ATOM 395 CA ASP A 26 -12.146 1.656 -1.097 1.00 0.00 C ATOM 396 C ASP A 26 -11.850 1.513 -2.585 1.00 0.00 C ATOM 397 O ASP A 26 -11.538 2.492 -3.261 1.00 0.00 O ATOM 398 CB ASP A 26 -13.125 2.810 -0.878 1.00 0.00 C ATOM 399 CG ASP A 26 -14.529 2.390 -1.302 1.00 0.00 C ATOM 400 OD1 ASP A 26 -14.667 1.300 -1.831 1.00 0.00 O ATOM 401 OD2 ASP A 26 -15.448 3.166 -1.091 1.00 0.00 O ATOM 0 H ASP A 26 -10.601 2.869 -0.355 1.00 0.00 H new ATOM 0 HA ASP A 26 -12.595 0.733 -0.730 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -13.126 3.103 0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.808 3.681 -1.452 1.00 0.00 H new ATOM 406 N ALA A 27 -11.944 0.288 -3.088 1.00 0.00 N ATOM 407 CA ALA A 27 -11.677 0.034 -4.498 1.00 0.00 C ATOM 408 C ALA A 27 -12.207 1.179 -5.353 1.00 0.00 C ATOM 409 O ALA A 27 -11.542 1.624 -6.289 1.00 0.00 O ATOM 410 CB ALA A 27 -12.334 -1.277 -4.929 1.00 0.00 C ATOM 0 H ALA A 27 -12.201 -0.538 -2.547 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.599 -0.042 -4.638 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.128 -1.457 -5.984 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.932 -2.098 -4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.411 -1.212 -4.775 1.00 0.00 H new ATOM 416 N ASP A 28 -13.403 1.657 -5.024 1.00 0.00 N ATOM 417 CA ASP A 28 -14.001 2.757 -5.770 1.00 0.00 C ATOM 418 C ASP A 28 -12.949 3.821 -6.062 1.00 0.00 C ATOM 419 O ASP A 28 -12.926 4.407 -7.144 1.00 0.00 O ATOM 420 CB ASP A 28 -15.144 3.375 -4.964 1.00 0.00 C ATOM 421 CG ASP A 28 -16.466 2.711 -5.334 1.00 0.00 C ATOM 422 OD1 ASP A 28 -16.618 1.536 -5.041 1.00 0.00 O ATOM 423 OD2 ASP A 28 -17.308 3.386 -5.902 1.00 0.00 O ATOM 0 H ASP A 28 -13.972 1.304 -4.254 1.00 0.00 H new ATOM 0 HA ASP A 28 -14.393 2.371 -6.711 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.954 3.255 -3.898 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -15.199 4.446 -5.159 1.00 0.00 H new ATOM 428 N GLU A 29 -12.075 4.057 -5.091 1.00 0.00 N ATOM 429 CA GLU A 29 -11.017 5.044 -5.252 1.00 0.00 C ATOM 430 C GLU A 29 -9.868 4.452 -6.060 1.00 0.00 C ATOM 431 O GLU A 29 -9.222 5.147 -6.844 1.00 0.00 O ATOM 432 CB GLU A 29 -10.504 5.491 -3.883 1.00 0.00 C ATOM 433 CG GLU A 29 -11.555 6.376 -3.209 1.00 0.00 C ATOM 434 CD GLU A 29 -11.193 7.846 -3.391 1.00 0.00 C ATOM 435 OE1 GLU A 29 -10.696 8.187 -4.452 1.00 0.00 O ATOM 436 OE2 GLU A 29 -11.416 8.610 -2.466 1.00 0.00 O ATOM 0 H GLU A 29 -12.078 3.581 -4.189 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.421 5.906 -5.782 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.292 4.622 -3.261 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.569 6.039 -3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.537 6.179 -3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.617 6.137 -2.147 1.00 0.00 H new ATOM 443 N TYR A 30 -9.623 3.161 -5.862 1.00 0.00 N ATOM 444 CA TYR A 30 -8.553 2.476 -6.577 1.00 0.00 C ATOM 445 C TYR A 30 -8.922 2.294 -8.047 1.00 0.00 C ATOM 446 O TYR A 30 -8.049 2.208 -8.910 1.00 0.00 O ATOM 447 CB TYR A 30 -8.293 1.108 -5.941 1.00 0.00 C ATOM 448 CG TYR A 30 -6.855 0.712 -6.166 1.00 0.00 C ATOM 449 CD1 TYR A 30 -5.821 1.512 -5.664 1.00 0.00 C ATOM 450 CD2 TYR A 30 -6.553 -0.456 -6.876 1.00 0.00 C ATOM 451 CE1 TYR A 30 -4.486 1.144 -5.873 1.00 0.00 C ATOM 452 CE2 TYR A 30 -5.218 -0.825 -7.085 1.00 0.00 C ATOM 453 CZ TYR A 30 -4.185 -0.024 -6.584 1.00 0.00 C ATOM 454 OH TYR A 30 -2.869 -0.386 -6.791 1.00 0.00 O ATOM 0 H TYR A 30 -10.148 2.571 -5.216 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.651 3.084 -6.513 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.508 1.145 -4.873 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.959 0.362 -6.374 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.053 2.413 -5.116 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.350 -1.073 -7.263 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.689 1.761 -5.486 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.986 -1.727 -7.632 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.836 -1.222 -7.301 1.00 0.00 H new ATOM 464 N LEU A 31 -10.221 2.233 -8.322 1.00 0.00 N ATOM 465 CA LEU A 31 -10.694 2.059 -9.692 1.00 0.00 C ATOM 466 C LEU A 31 -10.278 3.242 -10.561 1.00 0.00 C ATOM 467 O LEU A 31 -9.717 3.062 -11.642 1.00 0.00 O ATOM 468 CB LEU A 31 -12.218 1.926 -9.705 1.00 0.00 C ATOM 469 CG LEU A 31 -12.645 1.077 -10.903 1.00 0.00 C ATOM 470 CD1 LEU A 31 -12.632 -0.403 -10.512 1.00 0.00 C ATOM 471 CD2 LEU A 31 -14.059 1.477 -11.332 1.00 0.00 C ATOM 0 H LEU A 31 -10.960 2.301 -7.622 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.245 1.152 -10.097 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.562 1.466 -8.779 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -12.679 2.912 -9.761 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.953 1.241 -11.729 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.936 -1.008 -11.366 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.626 -0.689 -10.205 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.324 -0.567 -9.686 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.365 0.873 -12.186 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.750 1.313 -10.505 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -14.070 2.531 -11.611 1.00 0.00 H new ATOM 483 N ARG A 32 -10.557 4.452 -10.084 1.00 0.00 N ATOM 484 CA ARG A 32 -10.205 5.654 -10.829 1.00 0.00 C ATOM 485 C ARG A 32 -8.707 5.678 -11.122 1.00 0.00 C ATOM 486 O ARG A 32 -8.265 6.275 -12.104 1.00 0.00 O ATOM 487 CB ARG A 32 -10.594 6.898 -10.026 1.00 0.00 C ATOM 488 CG ARG A 32 -9.449 7.281 -9.089 1.00 0.00 C ATOM 489 CD ARG A 32 -9.981 8.180 -7.971 1.00 0.00 C ATOM 490 NE ARG A 32 -10.898 9.174 -8.516 1.00 0.00 N ATOM 491 CZ ARG A 32 -11.453 10.097 -7.737 1.00 0.00 C ATOM 492 NH1 ARG A 32 -11.192 10.114 -6.458 1.00 0.00 N ATOM 493 NH2 ARG A 32 -12.260 10.985 -8.250 1.00 0.00 N ATOM 0 H ARG A 32 -11.022 4.624 -9.193 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.749 5.650 -11.774 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.817 7.724 -10.701 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.499 6.704 -9.450 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.997 6.384 -8.665 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.668 7.799 -9.645 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.492 7.576 -7.221 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.151 8.677 -7.469 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.117 9.161 -9.512 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.562 9.419 -6.057 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.618 10.822 -5.860 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.465 10.971 -9.249 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.686 11.693 -7.652 1.00 0.00 H new ATOM 507 N GLU A 33 -7.934 5.023 -10.263 1.00 0.00 N ATOM 508 CA GLU A 33 -6.486 4.970 -10.432 1.00 0.00 C ATOM 509 C GLU A 33 -5.905 3.791 -9.656 1.00 0.00 C ATOM 510 O GLU A 33 -6.186 3.622 -8.469 1.00 0.00 O ATOM 511 CB GLU A 33 -5.854 6.272 -9.937 1.00 0.00 C ATOM 512 CG GLU A 33 -4.406 6.355 -10.423 1.00 0.00 C ATOM 513 CD GLU A 33 -3.743 7.613 -9.871 1.00 0.00 C ATOM 514 OE1 GLU A 33 -3.588 7.697 -8.664 1.00 0.00 O ATOM 515 OE2 GLU A 33 -3.399 8.474 -10.665 1.00 0.00 O ATOM 0 H GLU A 33 -8.284 4.523 -9.446 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.264 4.841 -11.491 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.422 7.127 -10.305 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.886 6.313 -8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.854 5.472 -10.101 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.379 6.368 -11.513 1.00 0.00 H new ATOM 522 N HIS A 34 -5.101 2.975 -10.331 1.00 0.00 N ATOM 523 CA HIS A 34 -4.498 1.814 -9.684 1.00 0.00 C ATOM 524 C HIS A 34 -3.101 1.550 -10.239 1.00 0.00 C ATOM 525 O HIS A 34 -2.788 1.931 -11.366 1.00 0.00 O ATOM 526 CB HIS A 34 -5.377 0.581 -9.905 1.00 0.00 C ATOM 527 CG HIS A 34 -5.540 0.341 -11.380 1.00 0.00 C ATOM 528 ND1 HIS A 34 -4.818 -0.630 -12.057 1.00 0.00 N ATOM 529 CD2 HIS A 34 -6.335 0.942 -12.325 1.00 0.00 C ATOM 530 CE1 HIS A 34 -5.189 -0.584 -13.350 1.00 0.00 C ATOM 531 NE2 HIS A 34 -6.112 0.356 -13.567 1.00 0.00 N ATOM 0 H HIS A 34 -4.854 3.093 -11.314 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.417 2.020 -8.617 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.925 -0.291 -9.431 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.352 0.728 -9.439 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -4.131 -1.264 -11.649 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.028 1.748 -12.133 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.789 -1.229 -14.118 1.00 0.00 H new ATOM 539 N ILE A 35 -2.268 0.893 -9.438 1.00 0.00 N ATOM 540 CA ILE A 35 -0.908 0.579 -9.859 1.00 0.00 C ATOM 541 C ILE A 35 -0.862 -0.802 -10.517 1.00 0.00 C ATOM 542 O ILE A 35 -1.230 -1.799 -9.894 1.00 0.00 O ATOM 543 CB ILE A 35 0.027 0.594 -8.647 1.00 0.00 C ATOM 544 CG1 ILE A 35 -0.356 1.752 -7.722 1.00 0.00 C ATOM 545 CG2 ILE A 35 1.473 0.771 -9.118 1.00 0.00 C ATOM 546 CD1 ILE A 35 -0.270 3.074 -8.488 1.00 0.00 C ATOM 0 H ILE A 35 -2.509 0.570 -8.501 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.584 1.330 -10.580 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.064 -0.348 -8.106 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.367 1.607 -7.341 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.310 1.776 -6.859 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.138 0.782 -8.255 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.745 -0.055 -9.776 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.567 1.712 -9.660 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.543 3.896 -7.827 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.749 3.221 -8.847 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.954 3.048 -9.336 1.00 0.00 H new ATOM 558 N PRO A 36 -0.425 -0.886 -11.750 1.00 0.00 N ATOM 559 CA PRO A 36 -0.343 -2.184 -12.479 1.00 0.00 C ATOM 560 C PRO A 36 0.819 -3.040 -11.995 1.00 0.00 C ATOM 561 O PRO A 36 1.315 -3.906 -12.716 1.00 0.00 O ATOM 562 CB PRO A 36 -0.146 -1.769 -13.933 1.00 0.00 C ATOM 563 CG PRO A 36 0.508 -0.429 -13.879 1.00 0.00 C ATOM 564 CD PRO A 36 0.037 0.237 -12.586 1.00 0.00 C ATOM 0 HA PRO A 36 -1.230 -2.799 -12.324 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.476 -2.488 -14.466 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.099 -1.720 -14.460 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.593 -0.527 -13.891 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.233 0.171 -14.746 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.845 0.787 -12.104 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -0.766 0.950 -12.774 1.00 0.00 H new ATOM 572 N GLU A 37 1.241 -2.787 -10.768 1.00 0.00 N ATOM 573 CA GLU A 37 2.345 -3.533 -10.176 1.00 0.00 C ATOM 574 C GLU A 37 2.138 -3.693 -8.673 1.00 0.00 C ATOM 575 O GLU A 37 3.100 -3.760 -7.906 1.00 0.00 O ATOM 576 CB GLU A 37 3.666 -2.808 -10.433 1.00 0.00 C ATOM 577 CG GLU A 37 3.678 -2.255 -11.860 1.00 0.00 C ATOM 578 CD GLU A 37 5.004 -1.556 -12.136 1.00 0.00 C ATOM 579 OE1 GLU A 37 5.725 -1.300 -11.186 1.00 0.00 O ATOM 580 OE2 GLU A 37 5.279 -1.285 -13.293 1.00 0.00 O ATOM 0 H GLU A 37 0.839 -2.073 -10.161 1.00 0.00 H new ATOM 0 HA GLU A 37 2.377 -4.520 -10.637 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.793 -1.996 -9.716 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.502 -3.493 -10.290 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.529 -3.065 -12.574 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.853 -1.555 -11.995 1.00 0.00 H new ATOM 587 N ALA A 38 0.879 -3.753 -8.261 1.00 0.00 N ATOM 588 CA ALA A 38 0.552 -3.904 -6.848 1.00 0.00 C ATOM 589 C ALA A 38 -0.709 -4.745 -6.677 1.00 0.00 C ATOM 590 O ALA A 38 -1.521 -4.859 -7.596 1.00 0.00 O ATOM 591 CB ALA A 38 0.340 -2.529 -6.212 1.00 0.00 C ATOM 0 H ALA A 38 0.071 -3.700 -8.881 1.00 0.00 H new ATOM 0 HA ALA A 38 1.382 -4.409 -6.354 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.096 -2.650 -5.157 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.251 -1.939 -6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.479 -2.017 -6.717 1.00 0.00 H new ATOM 597 N ASP A 39 -0.865 -5.334 -5.496 1.00 0.00 N ATOM 598 CA ASP A 39 -2.033 -6.162 -5.217 1.00 0.00 C ATOM 599 C ASP A 39 -3.184 -5.308 -4.695 1.00 0.00 C ATOM 600 O ASP A 39 -2.968 -4.252 -4.100 1.00 0.00 O ATOM 601 CB ASP A 39 -1.678 -7.232 -4.182 1.00 0.00 C ATOM 602 CG ASP A 39 -0.532 -8.096 -4.696 1.00 0.00 C ATOM 603 OD1 ASP A 39 0.607 -7.690 -4.540 1.00 0.00 O ATOM 604 OD2 ASP A 39 -0.811 -9.152 -5.241 1.00 0.00 O ATOM 0 H ASP A 39 -0.204 -5.255 -4.723 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.345 -6.642 -6.144 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.395 -6.760 -3.241 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.549 -7.854 -3.977 1.00 0.00 H new ATOM 609 N LEU A 40 -4.406 -5.776 -4.921 1.00 0.00 N ATOM 610 CA LEU A 40 -5.588 -5.051 -4.468 1.00 0.00 C ATOM 611 C LEU A 40 -6.311 -5.844 -3.385 1.00 0.00 C ATOM 612 O LEU A 40 -6.893 -6.895 -3.655 1.00 0.00 O ATOM 613 CB LEU A 40 -6.535 -4.806 -5.645 1.00 0.00 C ATOM 614 CG LEU A 40 -7.739 -3.991 -5.172 1.00 0.00 C ATOM 615 CD1 LEU A 40 -7.264 -2.631 -4.656 1.00 0.00 C ATOM 616 CD2 LEU A 40 -8.704 -3.785 -6.343 1.00 0.00 C ATOM 0 H LEU A 40 -4.604 -6.648 -5.412 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.272 -4.093 -4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.013 -4.274 -6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.867 -5.757 -6.062 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.248 -4.525 -4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.122 -2.050 -4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.576 -2.778 -3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.755 -2.095 -5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.563 -3.204 -6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.194 -3.250 -7.145 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.042 -4.754 -6.711 1.00 0.00 H new ATOM 628 N ALA A 41 -6.266 -5.338 -2.157 1.00 0.00 N ATOM 629 CA ALA A 41 -6.916 -6.014 -1.040 1.00 0.00 C ATOM 630 C ALA A 41 -7.535 -4.998 -0.082 1.00 0.00 C ATOM 631 O ALA A 41 -6.856 -4.475 0.801 1.00 0.00 O ATOM 632 CB ALA A 41 -5.895 -6.869 -0.288 1.00 0.00 C ATOM 0 H ALA A 41 -5.791 -4.470 -1.911 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.708 -6.651 -1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.385 -7.372 0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.475 -7.613 -0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.096 -6.232 0.092 1.00 0.00 H new ATOM 638 N PRO A 42 -8.803 -4.714 -0.237 1.00 0.00 N ATOM 639 CA PRO A 42 -9.519 -3.740 0.634 1.00 0.00 C ATOM 640 C PRO A 42 -9.191 -3.942 2.111 1.00 0.00 C ATOM 641 O PRO A 42 -9.427 -5.012 2.673 1.00 0.00 O ATOM 642 CB PRO A 42 -10.994 -4.021 0.349 1.00 0.00 C ATOM 643 CG PRO A 42 -11.024 -4.561 -1.043 1.00 0.00 C ATOM 644 CD PRO A 42 -9.695 -5.287 -1.261 1.00 0.00 C ATOM 0 HA PRO A 42 -9.232 -2.709 0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.403 -4.739 1.060 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -11.592 -3.113 0.433 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.864 -5.243 -1.176 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.149 -3.756 -1.768 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.804 -6.364 -1.138 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.309 -5.119 -2.266 1.00 0.00 H new ATOM 652 N LEU A 43 -8.642 -2.903 2.728 1.00 0.00 N ATOM 653 CA LEU A 43 -8.275 -2.961 4.139 1.00 0.00 C ATOM 654 C LEU A 43 -9.368 -3.640 4.962 1.00 0.00 C ATOM 655 O LEU A 43 -9.103 -4.187 6.033 1.00 0.00 O ATOM 656 CB LEU A 43 -8.020 -1.538 4.658 1.00 0.00 C ATOM 657 CG LEU A 43 -9.223 -1.042 5.468 1.00 0.00 C ATOM 658 CD1 LEU A 43 -9.195 -1.662 6.868 1.00 0.00 C ATOM 659 CD2 LEU A 43 -9.160 0.484 5.583 1.00 0.00 C ATOM 0 H LEU A 43 -8.441 -2.011 2.275 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.366 -3.553 4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.125 -1.526 5.280 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.835 -0.866 3.820 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.145 -1.334 4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.052 -1.307 7.440 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.238 -2.748 6.786 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.275 -1.373 7.376 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.014 0.841 6.159 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.237 0.773 6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.184 0.925 4.587 1.00 0.00 H new ATOM 671 N SER A 44 -10.600 -3.591 4.463 1.00 0.00 N ATOM 672 CA SER A 44 -11.725 -4.194 5.170 1.00 0.00 C ATOM 673 C SER A 44 -11.777 -5.703 4.949 1.00 0.00 C ATOM 674 O SER A 44 -12.237 -6.449 5.813 1.00 0.00 O ATOM 675 CB SER A 44 -13.035 -3.567 4.692 1.00 0.00 C ATOM 676 OG SER A 44 -12.774 -2.265 4.186 1.00 0.00 O ATOM 0 H SER A 44 -10.843 -3.144 3.579 1.00 0.00 H new ATOM 0 HA SER A 44 -11.589 -4.007 6.235 1.00 0.00 H new ATOM 0 HB2 SER A 44 -13.487 -4.187 3.918 1.00 0.00 H new ATOM 0 HB3 SER A 44 -13.748 -3.514 5.515 1.00 0.00 H new ATOM 0 HG SER A 44 -13.611 -1.860 3.877 1.00 0.00 H new ATOM 682 N VAL A 45 -11.314 -6.149 3.785 1.00 0.00 N ATOM 683 CA VAL A 45 -11.329 -7.574 3.469 1.00 0.00 C ATOM 684 C VAL A 45 -10.132 -8.286 4.097 1.00 0.00 C ATOM 685 O VAL A 45 -10.217 -9.460 4.457 1.00 0.00 O ATOM 686 CB VAL A 45 -11.319 -7.773 1.948 1.00 0.00 C ATOM 687 CG1 VAL A 45 -9.884 -7.966 1.451 1.00 0.00 C ATOM 688 CG2 VAL A 45 -12.148 -9.008 1.593 1.00 0.00 C ATOM 0 H VAL A 45 -10.928 -5.553 3.053 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.240 -8.007 3.883 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.746 -6.891 1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.889 -8.106 0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.291 -7.086 1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.448 -8.844 1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.143 -9.152 0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.720 -9.885 2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.173 -8.869 1.935 1.00 0.00 H new ATOM 698 N LEU A 46 -9.022 -7.571 4.224 1.00 0.00 N ATOM 699 CA LEU A 46 -7.816 -8.147 4.805 1.00 0.00 C ATOM 700 C LEU A 46 -7.936 -8.239 6.322 1.00 0.00 C ATOM 701 O LEU A 46 -7.218 -9.003 6.968 1.00 0.00 O ATOM 702 CB LEU A 46 -6.606 -7.287 4.444 1.00 0.00 C ATOM 703 CG LEU A 46 -5.318 -8.033 4.805 1.00 0.00 C ATOM 704 CD1 LEU A 46 -4.460 -8.209 3.551 1.00 0.00 C ATOM 705 CD2 LEU A 46 -4.538 -7.227 5.847 1.00 0.00 C ATOM 0 H LEU A 46 -8.931 -6.597 3.935 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.688 -9.152 4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.617 -7.055 3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.650 -6.338 4.978 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.568 -9.012 5.214 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.544 -8.740 3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.015 -8.782 2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.209 -7.230 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.621 -7.757 6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.289 -6.248 5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.148 -7.102 6.741 1.00 0.00 H new ATOM 717 N GLU A 47 -8.842 -7.452 6.883 1.00 0.00 N ATOM 718 CA GLU A 47 -9.044 -7.443 8.327 1.00 0.00 C ATOM 719 C GLU A 47 -9.977 -8.573 8.757 1.00 0.00 C ATOM 720 O GLU A 47 -9.757 -9.212 9.785 1.00 0.00 O ATOM 721 CB GLU A 47 -9.636 -6.101 8.758 1.00 0.00 C ATOM 722 CG GLU A 47 -8.931 -5.616 10.025 1.00 0.00 C ATOM 723 CD GLU A 47 -9.779 -4.556 10.722 1.00 0.00 C ATOM 724 OE1 GLU A 47 -10.371 -3.747 10.025 1.00 0.00 O ATOM 725 OE2 GLU A 47 -9.822 -4.568 11.941 1.00 0.00 O ATOM 0 H GLU A 47 -9.447 -6.814 6.365 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.077 -7.591 8.807 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.519 -5.367 7.961 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.705 -6.205 8.941 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.758 -6.455 10.698 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.954 -5.203 9.772 1.00 0.00 H new ATOM 732 N GLN A 48 -11.020 -8.809 7.969 1.00 0.00 N ATOM 733 CA GLN A 48 -11.980 -9.860 8.288 1.00 0.00 C ATOM 734 C GLN A 48 -11.538 -11.200 7.706 1.00 0.00 C ATOM 735 O GLN A 48 -11.593 -12.228 8.381 1.00 0.00 O ATOM 736 CB GLN A 48 -13.359 -9.493 7.735 1.00 0.00 C ATOM 737 CG GLN A 48 -13.377 -9.715 6.221 1.00 0.00 C ATOM 738 CD GLN A 48 -14.632 -9.095 5.620 1.00 0.00 C ATOM 739 OE1 GLN A 48 -15.514 -9.812 5.145 1.00 0.00 O ATOM 740 NE2 GLN A 48 -14.767 -7.798 5.611 1.00 0.00 N ATOM 0 H GLN A 48 -11.222 -8.293 7.113 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.033 -9.953 9.373 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -14.128 -10.101 8.212 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -13.589 -8.452 7.964 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.490 -9.271 5.769 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -13.347 -10.782 6.001 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -14.035 -7.206 6.005 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -15.604 -7.375 5.210 1.00 0.00 H new ATOM 749 N SER A 49 -11.105 -11.182 6.450 1.00 0.00 N ATOM 750 CA SER A 49 -10.662 -12.404 5.786 1.00 0.00 C ATOM 751 C SER A 49 -9.391 -12.942 6.433 1.00 0.00 C ATOM 752 O SER A 49 -9.359 -14.073 6.917 1.00 0.00 O ATOM 753 CB SER A 49 -10.403 -12.130 4.304 1.00 0.00 C ATOM 754 OG SER A 49 -10.402 -13.360 3.593 1.00 0.00 O ATOM 0 H SER A 49 -11.051 -10.342 5.874 1.00 0.00 H new ATOM 0 HA SER A 49 -11.450 -13.151 5.887 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.171 -11.467 3.905 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.447 -11.623 4.178 1.00 0.00 H new ATOM 0 HG SER A 49 -10.238 -13.188 2.642 1.00 0.00 H new ATOM 760 N GLY A 50 -8.346 -12.125 6.432 1.00 0.00 N ATOM 761 CA GLY A 50 -7.072 -12.527 7.016 1.00 0.00 C ATOM 762 C GLY A 50 -6.184 -13.190 5.969 1.00 0.00 C ATOM 763 O GLY A 50 -6.124 -14.416 5.876 1.00 0.00 O ATOM 0 H GLY A 50 -8.354 -11.185 6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.565 -11.655 7.431 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.246 -13.217 7.842 1.00 0.00 H new ATOM 767 N LEU A 51 -5.501 -12.370 5.180 1.00 0.00 N ATOM 768 CA LEU A 51 -4.621 -12.884 4.135 1.00 0.00 C ATOM 769 C LEU A 51 -3.171 -12.501 4.416 1.00 0.00 C ATOM 770 O LEU A 51 -2.698 -11.454 3.973 1.00 0.00 O ATOM 771 CB LEU A 51 -5.043 -12.321 2.778 1.00 0.00 C ATOM 772 CG LEU A 51 -4.314 -13.072 1.663 1.00 0.00 C ATOM 773 CD1 LEU A 51 -4.997 -14.420 1.419 1.00 0.00 C ATOM 774 CD2 LEU A 51 -4.355 -12.238 0.380 1.00 0.00 C ATOM 0 H LEU A 51 -5.538 -11.353 5.242 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.701 -13.971 4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.121 -12.419 2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.811 -11.257 2.726 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.278 -13.241 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.476 -14.953 0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.969 -15.013 2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.034 -14.255 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.836 -12.771 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.392 -12.069 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.866 -11.279 0.554 1.00 0.00 H new ATOM 786 N PRO A 52 -2.465 -13.329 5.137 1.00 0.00 N ATOM 787 CA PRO A 52 -1.035 -13.081 5.484 1.00 0.00 C ATOM 788 C PRO A 52 -0.164 -12.916 4.241 1.00 0.00 C ATOM 789 O PRO A 52 0.730 -13.723 3.987 1.00 0.00 O ATOM 790 CB PRO A 52 -0.616 -14.324 6.278 1.00 0.00 C ATOM 791 CG PRO A 52 -1.884 -14.980 6.718 1.00 0.00 C ATOM 792 CD PRO A 52 -2.956 -14.594 5.701 1.00 0.00 C ATOM 0 HA PRO A 52 -0.913 -12.156 6.047 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.022 -14.998 5.662 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.001 -14.050 7.135 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.764 -16.063 6.762 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.163 -14.650 7.718 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.071 -15.357 4.931 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.930 -14.470 6.174 1.00 0.00 H new ATOM 800 N ALA A 53 -0.431 -11.867 3.471 1.00 0.00 N ATOM 801 CA ALA A 53 0.335 -11.606 2.258 1.00 0.00 C ATOM 802 C ALA A 53 1.831 -11.652 2.551 1.00 0.00 C ATOM 803 O ALA A 53 2.647 -11.824 1.646 1.00 0.00 O ATOM 804 CB ALA A 53 -0.034 -10.233 1.695 1.00 0.00 C ATOM 0 H ALA A 53 -1.167 -11.188 3.663 1.00 0.00 H new ATOM 0 HA ALA A 53 0.095 -12.376 1.525 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.542 -10.045 0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.098 -10.210 1.460 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.191 -9.464 2.434 1.00 0.00 H new ATOM 810 N LYS A 54 2.182 -11.497 3.823 1.00 0.00 N ATOM 811 CA LYS A 54 3.582 -11.522 4.230 1.00 0.00 C ATOM 812 C LYS A 54 4.238 -12.836 3.817 1.00 0.00 C ATOM 813 O LYS A 54 5.452 -12.899 3.620 1.00 0.00 O ATOM 814 CB LYS A 54 3.682 -11.350 5.749 1.00 0.00 C ATOM 815 CG LYS A 54 4.946 -12.039 6.271 1.00 0.00 C ATOM 816 CD LYS A 54 5.148 -11.688 7.746 1.00 0.00 C ATOM 817 CE LYS A 54 6.390 -12.407 8.273 1.00 0.00 C ATOM 818 NZ LYS A 54 6.006 -13.756 8.776 1.00 0.00 N ATOM 0 H LYS A 54 1.521 -11.353 4.586 1.00 0.00 H new ATOM 0 HA LYS A 54 4.103 -10.702 3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.704 -10.290 6.003 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.801 -11.775 6.230 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.859 -13.119 6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.812 -11.723 5.689 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.261 -10.610 7.863 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.272 -11.981 8.324 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.133 -12.500 7.481 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.848 -11.825 9.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.714 -14.085 9.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.075 -13.703 9.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.961 -14.424 7.980 1.00 0.00 H new ATOM 832 N LEU A 55 3.432 -13.882 3.695 1.00 0.00 N ATOM 833 CA LEU A 55 3.950 -15.191 3.316 1.00 0.00 C ATOM 834 C LEU A 55 4.153 -15.284 1.810 1.00 0.00 C ATOM 835 O LEU A 55 4.818 -16.198 1.321 1.00 0.00 O ATOM 836 CB LEU A 55 2.979 -16.282 3.758 1.00 0.00 C ATOM 837 CG LEU A 55 3.343 -16.747 5.167 1.00 0.00 C ATOM 838 CD1 LEU A 55 3.020 -15.639 6.172 1.00 0.00 C ATOM 839 CD2 LEU A 55 2.536 -17.999 5.507 1.00 0.00 C ATOM 0 H LEU A 55 2.425 -13.852 3.851 1.00 0.00 H new ATOM 0 HA LEU A 55 4.913 -15.328 3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.957 -15.903 3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.019 -17.122 3.065 1.00 0.00 H new ATOM 0 HG LEU A 55 4.408 -16.975 5.214 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.280 -15.972 7.177 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.594 -14.746 5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.955 -15.409 6.130 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.792 -18.335 6.512 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.471 -17.769 5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.768 -18.787 4.791 1.00 0.00 H new ATOM 851 N ARG A 56 3.585 -14.337 1.075 1.00 0.00 N ATOM 852 CA ARG A 56 3.726 -14.337 -0.373 1.00 0.00 C ATOM 853 C ARG A 56 4.954 -13.537 -0.774 1.00 0.00 C ATOM 854 O ARG A 56 5.140 -13.204 -1.944 1.00 0.00 O ATOM 855 CB ARG A 56 2.476 -13.744 -1.027 1.00 0.00 C ATOM 856 CG ARG A 56 1.246 -14.552 -0.606 1.00 0.00 C ATOM 857 CD ARG A 56 0.003 -13.994 -1.301 1.00 0.00 C ATOM 858 NE ARG A 56 0.299 -13.687 -2.696 1.00 0.00 N ATOM 859 CZ ARG A 56 -0.475 -12.867 -3.400 1.00 0.00 C ATOM 860 NH1 ARG A 56 -1.524 -12.323 -2.845 1.00 0.00 N ATOM 861 NH2 ARG A 56 -0.185 -12.604 -4.644 1.00 0.00 N ATOM 0 H ARG A 56 3.030 -13.569 1.452 1.00 0.00 H new ATOM 0 HA ARG A 56 3.845 -15.365 -0.715 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.358 -12.702 -0.731 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.579 -13.758 -2.112 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.381 -15.602 -0.868 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.121 -14.507 0.476 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.809 -14.719 -1.245 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.336 -13.094 -0.787 1.00 0.00 H new ATOM 0 HE ARG A 56 1.115 -14.109 -3.139 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.749 -12.527 -1.871 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.118 -11.694 -3.385 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.636 -13.028 -5.077 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.779 -11.975 -5.184 1.00 0.00 H new ATOM 875 N HIS A 57 5.789 -13.242 0.214 1.00 0.00 N ATOM 876 CA HIS A 57 7.011 -12.479 -0.026 1.00 0.00 C ATOM 877 C HIS A 57 7.782 -12.262 1.273 1.00 0.00 C ATOM 878 O HIS A 57 7.712 -13.073 2.197 1.00 0.00 O ATOM 879 CB HIS A 57 6.670 -11.118 -0.636 1.00 0.00 C ATOM 880 CG HIS A 57 7.888 -10.557 -1.315 1.00 0.00 C ATOM 881 ND1 HIS A 57 8.559 -9.446 -0.828 1.00 0.00 N ATOM 882 CD2 HIS A 57 8.567 -10.941 -2.444 1.00 0.00 C ATOM 883 CE1 HIS A 57 9.592 -9.202 -1.656 1.00 0.00 C ATOM 884 NE2 HIS A 57 9.642 -10.085 -2.658 1.00 0.00 N ATOM 0 H HIS A 57 5.645 -13.517 1.186 1.00 0.00 H new ATOM 0 HA HIS A 57 7.632 -13.049 -0.717 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.856 -11.222 -1.353 1.00 0.00 H new ATOM 0 HB3 HIS A 57 6.326 -10.435 0.140 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.306 -11.781 -3.071 1.00 0.00 H new ATOM 0 HE1 HIS A 57 10.294 -8.392 -1.526 1.00 0.00 H new ATOM 0 HE2 HIS A 57 10.323 -10.123 -3.417 1.00 0.00 H new ATOM 892 N GLU A 58 8.513 -11.153 1.331 1.00 0.00 N ATOM 893 CA GLU A 58 9.297 -10.814 2.513 1.00 0.00 C ATOM 894 C GLU A 58 9.149 -9.330 2.827 1.00 0.00 C ATOM 895 O GLU A 58 9.010 -8.939 3.986 1.00 0.00 O ATOM 896 CB GLU A 58 10.770 -11.147 2.275 1.00 0.00 C ATOM 897 CG GLU A 58 11.581 -10.777 3.518 1.00 0.00 C ATOM 898 CD GLU A 58 12.960 -11.422 3.452 1.00 0.00 C ATOM 899 OE1 GLU A 58 13.418 -11.683 2.351 1.00 0.00 O ATOM 900 OE2 GLU A 58 13.537 -11.649 4.502 1.00 0.00 O ATOM 0 H GLU A 58 8.579 -10.474 0.573 1.00 0.00 H new ATOM 0 HA GLU A 58 8.931 -11.396 3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.884 -12.209 2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.142 -10.601 1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.680 -9.694 3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.058 -11.108 4.415 1.00 0.00 H new ATOM 907 N GLN A 59 9.167 -8.511 1.781 1.00 0.00 N ATOM 908 CA GLN A 59 9.017 -7.070 1.945 1.00 0.00 C ATOM 909 C GLN A 59 7.687 -6.626 1.352 1.00 0.00 C ATOM 910 O GLN A 59 7.333 -7.023 0.243 1.00 0.00 O ATOM 911 CB GLN A 59 10.162 -6.339 1.243 1.00 0.00 C ATOM 912 CG GLN A 59 11.207 -5.909 2.274 1.00 0.00 C ATOM 913 CD GLN A 59 12.346 -5.169 1.583 1.00 0.00 C ATOM 914 OE1 GLN A 59 13.511 -5.362 1.927 1.00 0.00 O ATOM 915 NE2 GLN A 59 12.076 -4.328 0.622 1.00 0.00 N ATOM 0 H GLN A 59 9.283 -8.818 0.815 1.00 0.00 H new ATOM 0 HA GLN A 59 9.041 -6.828 3.008 1.00 0.00 H new ATOM 0 HB2 GLN A 59 10.619 -6.990 0.497 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.779 -5.467 0.713 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.747 -5.266 3.024 1.00 0.00 H new ATOM 0 HG3 GLN A 59 11.595 -6.783 2.798 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.109 -4.170 0.339 1.00 0.00 H new ATOM 0 HE22 GLN A 59 12.832 -3.829 0.154 1.00 0.00 H new ATOM 924 N ILE A 60 6.944 -5.815 2.096 1.00 0.00 N ATOM 925 CA ILE A 60 5.649 -5.352 1.624 1.00 0.00 C ATOM 926 C ILE A 60 5.501 -3.846 1.808 1.00 0.00 C ATOM 927 O ILE A 60 6.074 -3.260 2.727 1.00 0.00 O ATOM 928 CB ILE A 60 4.548 -6.068 2.399 1.00 0.00 C ATOM 929 CG1 ILE A 60 5.110 -7.357 3.003 1.00 0.00 C ATOM 930 CG2 ILE A 60 3.393 -6.410 1.459 1.00 0.00 C ATOM 931 CD1 ILE A 60 4.019 -8.058 3.815 1.00 0.00 C ATOM 0 H ILE A 60 7.213 -5.469 3.017 1.00 0.00 H new ATOM 0 HA ILE A 60 5.569 -5.575 0.560 1.00 0.00 H new ATOM 0 HB ILE A 60 4.184 -5.417 3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.469 -8.015 2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.964 -7.130 3.641 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.609 -6.921 2.017 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.992 -5.493 1.027 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.753 -7.060 0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.419 -8.976 4.245 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.681 -7.399 4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.179 -8.299 3.164 1.00 0.00 H new ATOM 943 N ILE A 61 4.718 -3.230 0.929 1.00 0.00 N ATOM 944 CA ILE A 61 4.483 -1.794 0.999 1.00 0.00 C ATOM 945 C ILE A 61 2.995 -1.502 0.845 1.00 0.00 C ATOM 946 O ILE A 61 2.349 -1.991 -0.082 1.00 0.00 O ATOM 947 CB ILE A 61 5.263 -1.077 -0.103 1.00 0.00 C ATOM 948 CG1 ILE A 61 6.592 -1.798 -0.339 1.00 0.00 C ATOM 949 CG2 ILE A 61 5.539 0.367 0.324 1.00 0.00 C ATOM 950 CD1 ILE A 61 7.546 -0.870 -1.092 1.00 0.00 C ATOM 0 H ILE A 61 4.237 -3.701 0.163 1.00 0.00 H new ATOM 0 HA ILE A 61 4.823 -1.431 1.969 1.00 0.00 H new ATOM 0 HB ILE A 61 4.677 -1.080 -1.022 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.032 -2.095 0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.427 -2.710 -0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.095 0.879 -0.461 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.594 0.883 0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.125 0.369 1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.493 -1.382 -1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.106 -0.596 -2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.720 0.030 -0.502 1.00 0.00 H new ATOM 962 N PHE A 62 2.454 -0.706 1.761 1.00 0.00 N ATOM 963 CA PHE A 62 1.038 -0.365 1.716 1.00 0.00 C ATOM 964 C PHE A 62 0.845 1.112 1.389 1.00 0.00 C ATOM 965 O PHE A 62 1.645 1.957 1.791 1.00 0.00 O ATOM 966 CB PHE A 62 0.381 -0.679 3.063 1.00 0.00 C ATOM 967 CG PHE A 62 0.420 -2.169 3.306 1.00 0.00 C ATOM 968 CD1 PHE A 62 -0.587 -2.989 2.786 1.00 0.00 C ATOM 969 CD2 PHE A 62 1.465 -2.728 4.053 1.00 0.00 C ATOM 970 CE1 PHE A 62 -0.550 -4.371 3.012 1.00 0.00 C ATOM 971 CE2 PHE A 62 1.502 -4.109 4.278 1.00 0.00 C ATOM 972 CZ PHE A 62 0.495 -4.930 3.758 1.00 0.00 C ATOM 0 H PHE A 62 2.969 -0.289 2.536 1.00 0.00 H new ATOM 0 HA PHE A 62 0.570 -0.961 0.933 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.902 -0.155 3.865 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.650 -0.326 3.068 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.392 -2.557 2.211 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.241 -2.094 4.455 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.327 -5.005 2.611 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.308 -4.541 4.853 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.524 -5.995 3.932 1.00 0.00 H new ATOM 982 N HIS A 63 -0.223 1.412 0.659 1.00 0.00 N ATOM 983 CA HIS A 63 -0.515 2.792 0.284 1.00 0.00 C ATOM 984 C HIS A 63 -2.013 2.991 0.085 1.00 0.00 C ATOM 985 O HIS A 63 -2.682 2.170 -0.544 1.00 0.00 O ATOM 986 CB HIS A 63 0.227 3.155 -1.003 1.00 0.00 C ATOM 987 CG HIS A 63 0.022 2.071 -2.024 1.00 0.00 C ATOM 988 ND1 HIS A 63 -1.005 1.147 -1.925 1.00 0.00 N ATOM 989 CD2 HIS A 63 0.705 1.750 -3.171 1.00 0.00 C ATOM 990 CE1 HIS A 63 -0.913 0.322 -2.985 1.00 0.00 C ATOM 991 NE2 HIS A 63 0.113 0.645 -3.776 1.00 0.00 N ATOM 0 H HIS A 63 -0.896 0.726 0.317 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.179 3.444 1.091 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.138 4.107 -1.389 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.290 3.280 -0.799 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -1.704 1.100 -1.184 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.571 2.275 -3.547 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -1.587 -0.501 -3.173 1.00 0.00 H new ATOM 999 N CYS A 64 -2.532 4.087 0.625 1.00 0.00 N ATOM 1000 CA CYS A 64 -3.953 4.393 0.505 1.00 0.00 C ATOM 1001 C CYS A 64 -4.158 5.665 -0.313 1.00 0.00 C ATOM 1002 O CYS A 64 -3.286 6.533 -0.355 1.00 0.00 O ATOM 1003 CB CYS A 64 -4.567 4.575 1.894 1.00 0.00 C ATOM 1004 SG CYS A 64 -3.683 3.538 3.085 1.00 0.00 S ATOM 0 H CYS A 64 -1.993 4.777 1.149 1.00 0.00 H new ATOM 0 HA CYS A 64 -4.443 3.563 -0.003 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -4.510 5.621 2.194 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -5.623 4.306 1.875 1.00 0.00 H new ATOM 0 HG CYS A 64 -2.652 4.185 3.542 1.00 0.00 H new ATOM 1010 N GLN A 65 -5.314 5.768 -0.960 1.00 0.00 N ATOM 1011 CA GLN A 65 -5.621 6.940 -1.773 1.00 0.00 C ATOM 1012 C GLN A 65 -4.919 8.177 -1.221 1.00 0.00 C ATOM 1013 O GLN A 65 -4.298 8.934 -1.966 1.00 0.00 O ATOM 1014 CB GLN A 65 -7.131 7.177 -1.795 1.00 0.00 C ATOM 1015 CG GLN A 65 -7.426 8.532 -2.444 1.00 0.00 C ATOM 1016 CD GLN A 65 -6.717 8.633 -3.789 1.00 0.00 C ATOM 1017 OE1 GLN A 65 -6.469 7.617 -4.439 1.00 0.00 O ATOM 1018 NE2 GLN A 65 -6.374 9.805 -4.250 1.00 0.00 N ATOM 0 H GLN A 65 -6.049 5.061 -0.938 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.265 6.758 -2.787 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.627 6.380 -2.350 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.528 7.154 -0.780 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.501 8.652 -2.581 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.096 9.338 -1.788 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.580 10.646 -3.710 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.900 9.880 -5.150 1.00 0.00 H new ATOM 1027 N ALA A 66 -5.025 8.378 0.090 1.00 0.00 N ATOM 1028 CA ALA A 66 -4.397 9.529 0.729 1.00 0.00 C ATOM 1029 C ALA A 66 -3.423 9.079 1.815 1.00 0.00 C ATOM 1030 O ALA A 66 -2.641 9.877 2.329 1.00 0.00 O ATOM 1031 CB ALA A 66 -5.467 10.432 1.346 1.00 0.00 C ATOM 0 H ALA A 66 -5.535 7.764 0.725 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.845 10.083 -0.030 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.990 11.289 1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -6.144 10.780 0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.031 9.871 2.091 1.00 0.00 H new ATOM 1037 N GLY A 67 -3.477 7.796 2.158 1.00 0.00 N ATOM 1038 CA GLY A 67 -2.593 7.253 3.183 1.00 0.00 C ATOM 1039 C GLY A 67 -3.246 7.322 4.559 1.00 0.00 C ATOM 1040 O GLY A 67 -2.639 6.956 5.565 1.00 0.00 O ATOM 0 H GLY A 67 -4.118 7.118 1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.346 6.218 2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.656 7.810 3.193 1.00 0.00 H new ATOM 1044 N LYS A 68 -4.488 7.794 4.596 1.00 0.00 N ATOM 1045 CA LYS A 68 -5.212 7.906 5.855 1.00 0.00 C ATOM 1046 C LYS A 68 -5.451 6.526 6.459 1.00 0.00 C ATOM 1047 O LYS A 68 -5.519 6.374 7.678 1.00 0.00 O ATOM 1048 CB LYS A 68 -6.555 8.604 5.626 1.00 0.00 C ATOM 1049 CG LYS A 68 -6.334 10.114 5.533 1.00 0.00 C ATOM 1050 CD LYS A 68 -6.475 10.738 6.923 1.00 0.00 C ATOM 1051 CE LYS A 68 -6.370 12.261 6.812 1.00 0.00 C ATOM 1052 NZ LYS A 68 -7.570 12.792 6.105 1.00 0.00 N ATOM 0 H LYS A 68 -5.010 8.102 3.776 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.610 8.495 6.547 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.017 8.236 4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.240 8.375 6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.344 10.323 5.128 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.058 10.557 4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.433 10.460 7.363 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.698 10.357 7.585 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.294 12.704 7.805 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.465 12.535 6.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.679 13.804 6.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.454 12.664 5.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.416 12.278 6.424 1.00 0.00 H new ATOM 1066 N ARG A 69 -5.576 5.522 5.596 1.00 0.00 N ATOM 1067 CA ARG A 69 -5.806 4.159 6.056 1.00 0.00 C ATOM 1068 C ARG A 69 -4.494 3.509 6.479 1.00 0.00 C ATOM 1069 O ARG A 69 -4.484 2.585 7.288 1.00 0.00 O ATOM 1070 CB ARG A 69 -6.450 3.332 4.943 1.00 0.00 C ATOM 1071 CG ARG A 69 -7.961 3.568 4.941 1.00 0.00 C ATOM 1072 CD ARG A 69 -8.255 4.983 4.446 1.00 0.00 C ATOM 1073 NE ARG A 69 -9.694 5.218 4.416 1.00 0.00 N ATOM 1074 CZ ARG A 69 -10.202 6.300 3.835 1.00 0.00 C ATOM 1075 NH1 ARG A 69 -9.409 7.175 3.281 1.00 0.00 N ATOM 1076 NH2 ARG A 69 -11.494 6.487 3.821 1.00 0.00 N ATOM 0 H ARG A 69 -5.522 5.626 4.583 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.476 4.195 6.915 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.027 3.610 3.978 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.237 2.274 5.092 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.453 2.837 4.299 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.362 3.432 5.945 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.774 5.712 5.099 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.836 5.122 3.449 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.322 4.540 4.848 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.400 7.029 3.294 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.798 8.006 2.835 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.113 5.803 4.256 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.884 7.317 3.375 1.00 0.00 H new ATOM 1090 N THR A 70 -3.389 3.998 5.926 1.00 0.00 N ATOM 1091 CA THR A 70 -2.076 3.452 6.256 1.00 0.00 C ATOM 1092 C THR A 70 -1.796 3.591 7.749 1.00 0.00 C ATOM 1093 O THR A 70 -1.501 2.608 8.429 1.00 0.00 O ATOM 1094 CB THR A 70 -0.992 4.185 5.464 1.00 0.00 C ATOM 1095 OG1 THR A 70 -1.533 4.631 4.230 1.00 0.00 O ATOM 1096 CG2 THR A 70 0.180 3.238 5.201 1.00 0.00 C ATOM 0 H THR A 70 -3.375 4.764 5.253 1.00 0.00 H new ATOM 0 HA THR A 70 -2.068 2.394 5.993 1.00 0.00 H new ATOM 0 HB THR A 70 -0.638 5.042 6.037 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.805 4.808 3.598 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.951 3.762 4.637 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.593 2.898 6.151 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.168 2.379 4.628 1.00 0.00 H new ATOM 1104 N SER A 71 -1.887 4.818 8.250 1.00 0.00 N ATOM 1105 CA SER A 71 -1.637 5.073 9.665 1.00 0.00 C ATOM 1106 C SER A 71 -2.612 4.286 10.537 1.00 0.00 C ATOM 1107 O SER A 71 -2.301 3.946 11.678 1.00 0.00 O ATOM 1108 CB SER A 71 -1.779 6.566 9.959 1.00 0.00 C ATOM 1109 OG SER A 71 -0.496 7.177 9.919 1.00 0.00 O ATOM 0 H SER A 71 -2.130 5.645 7.704 1.00 0.00 H new ATOM 0 HA SER A 71 -0.622 4.751 9.897 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.439 7.031 9.227 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.234 6.714 10.938 1.00 0.00 H new ATOM 0 HG SER A 71 -0.584 8.135 10.105 1.00 0.00 H new ATOM 1115 N ASN A 72 -3.791 4.002 9.993 1.00 0.00 N ATOM 1116 CA ASN A 72 -4.803 3.258 10.734 1.00 0.00 C ATOM 1117 C ASN A 72 -4.599 1.755 10.567 1.00 0.00 C ATOM 1118 O ASN A 72 -4.792 0.984 11.508 1.00 0.00 O ATOM 1119 CB ASN A 72 -6.200 3.644 10.242 1.00 0.00 C ATOM 1120 CG ASN A 72 -6.709 4.856 11.013 1.00 0.00 C ATOM 1121 OD1 ASN A 72 -6.820 5.946 10.452 1.00 0.00 O ATOM 1122 ND2 ASN A 72 -7.027 4.732 12.273 1.00 0.00 N ATOM 0 H ASN A 72 -4.068 4.273 9.049 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.707 3.508 11.791 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -6.170 3.868 9.176 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.885 2.806 10.373 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -7.368 5.539 12.795 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.934 3.828 12.736 1.00 0.00 H new ATOM 1129 N ASN A 73 -4.209 1.344 9.365 1.00 0.00 N ATOM 1130 CA ASN A 73 -3.984 -0.071 9.089 1.00 0.00 C ATOM 1131 C ASN A 73 -2.575 -0.476 9.501 1.00 0.00 C ATOM 1132 O ASN A 73 -2.279 -1.660 9.654 1.00 0.00 O ATOM 1133 CB ASN A 73 -4.181 -0.353 7.598 1.00 0.00 C ATOM 1134 CG ASN A 73 -4.839 -1.715 7.409 1.00 0.00 C ATOM 1135 OD1 ASN A 73 -5.940 -1.947 7.907 1.00 0.00 O ATOM 1136 ND2 ASN A 73 -4.227 -2.634 6.714 1.00 0.00 N ATOM 0 H ASN A 73 -4.043 1.964 8.572 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.703 -0.653 9.665 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -4.800 0.425 7.151 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -3.220 -0.330 7.085 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.661 -3.548 6.582 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.314 -2.439 6.302 1.00 0.00 H new ATOM 1143 N ALA A 74 -1.709 0.516 9.685 1.00 0.00 N ATOM 1144 CA ALA A 74 -0.336 0.249 10.086 1.00 0.00 C ATOM 1145 C ALA A 74 -0.311 -0.721 11.263 1.00 0.00 C ATOM 1146 O ALA A 74 0.663 -1.447 11.464 1.00 0.00 O ATOM 1147 CB ALA A 74 0.362 1.552 10.477 1.00 0.00 C ATOM 0 H ALA A 74 -1.933 1.504 9.563 1.00 0.00 H new ATOM 0 HA ALA A 74 0.191 -0.199 9.244 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.389 1.340 10.775 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.365 2.233 9.626 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.169 2.014 11.309 1.00 0.00 H new ATOM 1153 N ASP A 75 -1.392 -0.724 12.036 1.00 0.00 N ATOM 1154 CA ASP A 75 -1.490 -1.609 13.192 1.00 0.00 C ATOM 1155 C ASP A 75 -1.896 -3.015 12.760 1.00 0.00 C ATOM 1156 O ASP A 75 -1.245 -3.995 13.121 1.00 0.00 O ATOM 1157 CB ASP A 75 -2.517 -1.063 14.187 1.00 0.00 C ATOM 1158 CG ASP A 75 -2.988 0.318 13.744 1.00 0.00 C ATOM 1159 OD1 ASP A 75 -2.140 1.159 13.497 1.00 0.00 O ATOM 1160 OD2 ASP A 75 -4.190 0.514 13.661 1.00 0.00 O ATOM 0 H ASP A 75 -2.207 -0.129 11.885 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.512 -1.656 13.670 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.367 -1.742 14.255 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.076 -1.004 15.182 1.00 0.00 H new ATOM 1165 N LYS A 76 -2.975 -3.106 11.991 1.00 0.00 N ATOM 1166 CA LYS A 76 -3.457 -4.399 11.520 1.00 0.00 C ATOM 1167 C LYS A 76 -2.442 -5.036 10.576 1.00 0.00 C ATOM 1168 O LYS A 76 -2.387 -6.258 10.442 1.00 0.00 O ATOM 1169 CB LYS A 76 -4.794 -4.230 10.798 1.00 0.00 C ATOM 1170 CG LYS A 76 -5.936 -4.327 11.812 1.00 0.00 C ATOM 1171 CD LYS A 76 -5.718 -3.306 12.931 1.00 0.00 C ATOM 1172 CE LYS A 76 -6.801 -3.481 13.995 1.00 0.00 C ATOM 1173 NZ LYS A 76 -7.564 -4.732 13.722 1.00 0.00 N ATOM 0 H LYS A 76 -3.529 -2.307 11.682 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.593 -5.051 12.383 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.826 -3.267 10.289 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.906 -4.998 10.033 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.890 -4.143 11.319 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.982 -5.333 12.228 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.732 -3.441 13.375 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.750 -2.294 12.527 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.349 -3.526 14.986 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.473 -2.623 13.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.268 -4.880 14.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.048 -4.650 12.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.909 -5.540 13.697 1.00 0.00 H new ATOM 1187 N LEU A 77 -1.641 -4.199 9.925 1.00 0.00 N ATOM 1188 CA LEU A 77 -0.631 -4.693 8.997 1.00 0.00 C ATOM 1189 C LEU A 77 0.429 -5.496 9.745 1.00 0.00 C ATOM 1190 O LEU A 77 0.617 -6.684 9.488 1.00 0.00 O ATOM 1191 CB LEU A 77 0.030 -3.519 8.270 1.00 0.00 C ATOM 1192 CG LEU A 77 -0.932 -2.959 7.221 1.00 0.00 C ATOM 1193 CD1 LEU A 77 -0.281 -1.768 6.515 1.00 0.00 C ATOM 1194 CD2 LEU A 77 -1.252 -4.046 6.193 1.00 0.00 C ATOM 0 H LEU A 77 -1.671 -3.184 10.022 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.116 -5.341 8.267 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.299 -2.741 8.984 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.954 -3.847 7.793 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.852 -2.635 7.708 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.967 -1.369 5.767 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.050 -0.993 7.246 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.639 -2.092 6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.938 -3.649 5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.332 -4.369 5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.715 -4.896 6.694 1.00 0.00 H new ATOM 1206 N ALA A 78 1.117 -4.837 10.671 1.00 0.00 N ATOM 1207 CA ALA A 78 2.156 -5.498 11.452 1.00 0.00 C ATOM 1208 C ALA A 78 1.673 -6.856 11.955 1.00 0.00 C ATOM 1209 O ALA A 78 2.329 -7.876 11.740 1.00 0.00 O ATOM 1210 CB ALA A 78 2.550 -4.619 12.642 1.00 0.00 C ATOM 0 H ALA A 78 0.976 -3.853 10.898 1.00 0.00 H new ATOM 0 HA ALA A 78 3.023 -5.653 10.810 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.326 -5.118 13.222 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.926 -3.663 12.279 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.678 -4.450 13.274 1.00 0.00 H new ATOM 1216 N ALA A 79 0.524 -6.863 12.625 1.00 0.00 N ATOM 1217 CA ALA A 79 -0.033 -8.104 13.153 1.00 0.00 C ATOM 1218 C ALA A 79 -0.137 -9.148 12.049 1.00 0.00 C ATOM 1219 O ALA A 79 0.234 -10.306 12.238 1.00 0.00 O ATOM 1220 CB ALA A 79 -1.417 -7.848 13.748 1.00 0.00 C ATOM 0 H ALA A 79 -0.035 -6.031 12.814 1.00 0.00 H new ATOM 0 HA ALA A 79 0.630 -8.476 13.934 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.823 -8.781 14.139 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.337 -7.120 14.556 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.080 -7.460 12.974 1.00 0.00 H new ATOM 1226 N ILE A 80 -0.638 -8.728 10.893 1.00 0.00 N ATOM 1227 CA ILE A 80 -0.781 -9.633 9.761 1.00 0.00 C ATOM 1228 C ILE A 80 0.589 -9.971 9.181 1.00 0.00 C ATOM 1229 O ILE A 80 0.741 -10.947 8.446 1.00 0.00 O ATOM 1230 CB ILE A 80 -1.651 -8.986 8.682 1.00 0.00 C ATOM 1231 CG1 ILE A 80 -3.052 -8.727 9.242 1.00 0.00 C ATOM 1232 CG2 ILE A 80 -1.748 -9.922 7.476 1.00 0.00 C ATOM 1233 CD1 ILE A 80 -3.914 -9.978 9.067 1.00 0.00 C ATOM 0 H ILE A 80 -0.950 -7.773 10.716 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.258 -10.551 10.105 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.204 -8.041 8.373 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.989 -8.461 10.297 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.510 -7.883 8.727 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.368 -9.461 6.707 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.751 -10.105 7.077 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.195 -10.867 7.784 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.911 -9.792 9.466 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.987 -10.224 8.008 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.459 -10.811 9.602 1.00 0.00 H new ATOM 1245 N ALA A 81 1.582 -9.153 9.516 1.00 0.00 N ATOM 1246 CA ALA A 81 2.938 -9.368 9.023 1.00 0.00 C ATOM 1247 C ALA A 81 3.914 -9.534 10.184 1.00 0.00 C ATOM 1248 O ALA A 81 4.347 -8.554 10.788 1.00 0.00 O ATOM 1249 CB ALA A 81 3.371 -8.182 8.159 1.00 0.00 C ATOM 0 H ALA A 81 1.475 -8.340 10.123 1.00 0.00 H new ATOM 0 HA ALA A 81 2.946 -10.279 8.425 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.384 -8.349 7.794 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.692 -8.082 7.312 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.345 -7.269 8.755 1.00 0.00 H new ATOM 1255 N ALA A 82 4.261 -10.782 10.490 1.00 0.00 N ATOM 1256 CA ALA A 82 5.191 -11.063 11.578 1.00 0.00 C ATOM 1257 C ALA A 82 6.372 -10.106 11.528 1.00 0.00 C ATOM 1258 O ALA A 82 6.453 -9.250 10.647 1.00 0.00 O ATOM 1259 CB ALA A 82 5.688 -12.507 11.481 1.00 0.00 C ATOM 0 H ALA A 82 3.914 -11.609 10.003 1.00 0.00 H new ATOM 0 HA ALA A 82 4.669 -10.926 12.525 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.382 -12.709 12.297 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.840 -13.189 11.549 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.196 -12.654 10.528 1.00 0.00 H new ATOM 1265 N PRO A 83 7.275 -10.230 12.459 1.00 0.00 N ATOM 1266 CA PRO A 83 8.476 -9.351 12.538 1.00 0.00 C ATOM 1267 C PRO A 83 9.313 -9.396 11.262 1.00 0.00 C ATOM 1268 O PRO A 83 10.464 -9.830 11.276 1.00 0.00 O ATOM 1269 CB PRO A 83 9.263 -9.898 13.732 1.00 0.00 C ATOM 1270 CG PRO A 83 8.294 -10.712 14.526 1.00 0.00 C ATOM 1271 CD PRO A 83 7.249 -11.224 13.541 1.00 0.00 C ATOM 0 HA PRO A 83 8.201 -8.303 12.655 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.103 -10.507 13.399 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.675 -9.087 14.332 1.00 0.00 H new ATOM 0 HG2 PRO A 83 8.799 -11.541 15.022 1.00 0.00 H new ATOM 0 HG3 PRO A 83 7.829 -10.109 15.306 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.497 -12.220 13.176 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.263 -11.290 14.001 1.00 0.00 H new ATOM 1279 N ALA A 84 8.723 -8.936 10.164 1.00 0.00 N ATOM 1280 CA ALA A 84 9.416 -8.915 8.881 1.00 0.00 C ATOM 1281 C ALA A 84 9.845 -7.493 8.536 1.00 0.00 C ATOM 1282 O ALA A 84 10.109 -6.681 9.423 1.00 0.00 O ATOM 1283 CB ALA A 84 8.495 -9.449 7.782 1.00 0.00 C ATOM 0 H ALA A 84 7.770 -8.574 10.136 1.00 0.00 H new ATOM 0 HA ALA A 84 10.301 -9.548 8.953 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.020 -9.430 6.827 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.205 -10.473 8.016 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.604 -8.825 7.719 1.00 0.00 H new ATOM 1289 N GLU A 85 9.903 -7.195 7.243 1.00 0.00 N ATOM 1290 CA GLU A 85 10.290 -5.864 6.790 1.00 0.00 C ATOM 1291 C GLU A 85 9.124 -5.197 6.070 1.00 0.00 C ATOM 1292 O GLU A 85 8.830 -5.518 4.918 1.00 0.00 O ATOM 1293 CB GLU A 85 11.492 -5.960 5.846 1.00 0.00 C ATOM 1294 CG GLU A 85 12.522 -6.927 6.429 1.00 0.00 C ATOM 1295 CD GLU A 85 12.991 -6.430 7.792 1.00 0.00 C ATOM 1296 OE1 GLU A 85 12.207 -6.489 8.724 1.00 0.00 O ATOM 1297 OE2 GLU A 85 14.127 -5.995 7.882 1.00 0.00 O ATOM 0 H GLU A 85 9.688 -7.853 6.494 1.00 0.00 H new ATOM 0 HA GLU A 85 10.564 -5.264 7.658 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.170 -6.304 4.863 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.939 -4.976 5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.086 -7.921 6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 85 13.372 -7.016 5.753 1.00 0.00 H new ATOM 1304 N ILE A 86 8.458 -4.272 6.755 1.00 0.00 N ATOM 1305 CA ILE A 86 7.323 -3.578 6.163 1.00 0.00 C ATOM 1306 C ILE A 86 7.627 -2.096 5.998 1.00 0.00 C ATOM 1307 O ILE A 86 8.222 -1.469 6.874 1.00 0.00 O ATOM 1308 CB ILE A 86 6.084 -3.755 7.045 1.00 0.00 C ATOM 1309 CG1 ILE A 86 6.483 -4.470 8.338 1.00 0.00 C ATOM 1310 CG2 ILE A 86 5.038 -4.592 6.305 1.00 0.00 C ATOM 1311 CD1 ILE A 86 5.267 -4.560 9.261 1.00 0.00 C ATOM 0 H ILE A 86 8.682 -3.989 7.709 1.00 0.00 H new ATOM 0 HA ILE A 86 7.132 -4.007 5.180 1.00 0.00 H new ATOM 0 HB ILE A 86 5.663 -2.777 7.279 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.859 -5.468 8.114 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.290 -3.929 8.832 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.158 -4.716 6.936 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.754 -4.087 5.382 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.456 -5.571 6.069 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.547 -5.069 10.183 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.912 -3.556 9.494 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.474 -5.119 8.765 1.00 0.00 H new ATOM 1323 N PHE A 87 7.211 -1.542 4.867 1.00 0.00 N ATOM 1324 CA PHE A 87 7.438 -0.131 4.588 1.00 0.00 C ATOM 1325 C PHE A 87 6.109 0.582 4.368 1.00 0.00 C ATOM 1326 O PHE A 87 5.071 -0.058 4.203 1.00 0.00 O ATOM 1327 CB PHE A 87 8.319 0.018 3.345 1.00 0.00 C ATOM 1328 CG PHE A 87 9.701 -0.511 3.646 1.00 0.00 C ATOM 1329 CD1 PHE A 87 10.473 0.082 4.652 1.00 0.00 C ATOM 1330 CD2 PHE A 87 10.211 -1.595 2.920 1.00 0.00 C ATOM 1331 CE1 PHE A 87 11.753 -0.409 4.933 1.00 0.00 C ATOM 1332 CE2 PHE A 87 11.491 -2.085 3.201 1.00 0.00 C ATOM 1333 CZ PHE A 87 12.263 -1.493 4.207 1.00 0.00 C ATOM 0 H PHE A 87 6.717 -2.046 4.131 1.00 0.00 H new ATOM 0 HA PHE A 87 7.943 0.320 5.442 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.883 -0.528 2.508 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.375 1.065 3.048 1.00 0.00 H new ATOM 0 HD1 PHE A 87 10.081 0.918 5.211 1.00 0.00 H new ATOM 0 HD2 PHE A 87 9.616 -2.053 2.143 1.00 0.00 H new ATOM 0 HE1 PHE A 87 12.348 0.048 5.710 1.00 0.00 H new ATOM 0 HE2 PHE A 87 11.884 -2.921 2.641 1.00 0.00 H new ATOM 0 HZ PHE A 87 13.251 -1.872 4.423 1.00 0.00 H new ATOM 1343 N LEU A 88 6.144 1.909 4.371 1.00 0.00 N ATOM 1344 CA LEU A 88 4.928 2.690 4.173 1.00 0.00 C ATOM 1345 C LEU A 88 5.175 3.836 3.201 1.00 0.00 C ATOM 1346 O LEU A 88 6.237 4.457 3.213 1.00 0.00 O ATOM 1347 CB LEU A 88 4.441 3.249 5.512 1.00 0.00 C ATOM 1348 CG LEU A 88 4.404 2.125 6.550 1.00 0.00 C ATOM 1349 CD1 LEU A 88 4.274 2.724 7.951 1.00 0.00 C ATOM 1350 CD2 LEU A 88 3.208 1.209 6.273 1.00 0.00 C ATOM 0 H LEU A 88 6.990 2.462 4.507 1.00 0.00 H new ATOM 0 HA LEU A 88 4.165 2.034 3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.103 4.047 5.848 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.449 3.685 5.397 1.00 0.00 H new ATOM 0 HG LEU A 88 5.326 1.547 6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.248 1.922 8.689 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.127 3.372 8.150 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.354 3.305 8.014 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.183 0.409 7.013 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.286 1.787 6.332 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.303 0.778 5.276 1.00 0.00 H new ATOM 1362 N LEU A 89 4.183 4.112 2.361 1.00 0.00 N ATOM 1363 CA LEU A 89 4.301 5.189 1.387 1.00 0.00 C ATOM 1364 C LEU A 89 3.620 6.450 1.907 1.00 0.00 C ATOM 1365 O LEU A 89 2.395 6.511 2.006 1.00 0.00 O ATOM 1366 CB LEU A 89 3.663 4.769 0.060 1.00 0.00 C ATOM 1367 CG LEU A 89 4.096 5.736 -1.044 1.00 0.00 C ATOM 1368 CD1 LEU A 89 4.681 4.947 -2.217 1.00 0.00 C ATOM 1369 CD2 LEU A 89 2.884 6.538 -1.527 1.00 0.00 C ATOM 0 H LEU A 89 3.296 3.609 2.335 1.00 0.00 H new ATOM 0 HA LEU A 89 5.359 5.398 1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.963 3.752 -0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.577 4.767 0.151 1.00 0.00 H new ATOM 0 HG LEU A 89 4.851 6.417 -0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.989 5.637 -3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.545 4.376 -1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.927 4.265 -2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.193 7.227 -2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.129 5.856 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.466 7.103 -0.694 1.00 0.00 H new ATOM 1381 N GLU A 90 4.426 7.451 2.244 1.00 0.00 N ATOM 1382 CA GLU A 90 3.895 8.707 2.761 1.00 0.00 C ATOM 1383 C GLU A 90 2.967 9.362 1.742 1.00 0.00 C ATOM 1384 O GLU A 90 3.207 9.300 0.537 1.00 0.00 O ATOM 1385 CB GLU A 90 5.047 9.658 3.093 1.00 0.00 C ATOM 1386 CG GLU A 90 4.524 10.832 3.923 1.00 0.00 C ATOM 1387 CD GLU A 90 4.405 12.076 3.050 1.00 0.00 C ATOM 1388 OE1 GLU A 90 5.399 12.449 2.448 1.00 0.00 O ATOM 1389 OE2 GLU A 90 3.323 12.637 2.997 1.00 0.00 O ATOM 0 H GLU A 90 5.443 7.418 2.169 1.00 0.00 H new ATOM 0 HA GLU A 90 3.324 8.494 3.665 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.822 9.127 3.645 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.505 10.025 2.174 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.552 10.582 4.349 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.198 11.027 4.758 1.00 0.00 H new ATOM 1396 N ASP A 91 1.906 9.993 2.237 1.00 0.00 N ATOM 1397 CA ASP A 91 0.948 10.661 1.363 1.00 0.00 C ATOM 1398 C ASP A 91 0.136 9.643 0.568 1.00 0.00 C ATOM 1399 O ASP A 91 -1.001 9.909 0.179 1.00 0.00 O ATOM 1400 CB ASP A 91 1.685 11.594 0.400 1.00 0.00 C ATOM 1401 CG ASP A 91 0.975 12.940 0.330 1.00 0.00 C ATOM 1402 OD1 ASP A 91 0.713 13.505 1.380 1.00 0.00 O ATOM 1403 OD2 ASP A 91 0.703 13.389 -0.772 1.00 0.00 O ATOM 0 H ASP A 91 1.689 10.056 3.232 1.00 0.00 H new ATOM 0 HA ASP A 91 0.265 11.241 1.984 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.714 11.733 0.732 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.728 11.145 -0.592 1.00 0.00 H new ATOM 1408 N GLY A 92 0.727 8.476 0.329 1.00 0.00 N ATOM 1409 CA GLY A 92 0.046 7.427 -0.423 1.00 0.00 C ATOM 1410 C GLY A 92 0.272 7.600 -1.921 1.00 0.00 C ATOM 1411 O GLY A 92 1.257 8.205 -2.343 1.00 0.00 O ATOM 0 H GLY A 92 1.667 8.234 0.642 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.412 6.450 -0.106 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.022 7.453 -0.206 1.00 0.00 H new ATOM 1415 N ILE A 93 -0.645 7.068 -2.722 1.00 0.00 N ATOM 1416 CA ILE A 93 -0.528 7.174 -4.172 1.00 0.00 C ATOM 1417 C ILE A 93 -0.282 8.621 -4.585 1.00 0.00 C ATOM 1418 O ILE A 93 0.404 8.885 -5.572 1.00 0.00 O ATOM 1419 CB ILE A 93 -1.805 6.661 -4.837 1.00 0.00 C ATOM 1420 CG1 ILE A 93 -1.609 6.618 -6.355 1.00 0.00 C ATOM 1421 CG2 ILE A 93 -2.967 7.595 -4.501 1.00 0.00 C ATOM 1422 CD1 ILE A 93 -2.669 5.710 -6.980 1.00 0.00 C ATOM 0 H ILE A 93 -1.470 6.564 -2.396 1.00 0.00 H new ATOM 0 HA ILE A 93 0.318 6.568 -4.495 1.00 0.00 H new ATOM 0 HB ILE A 93 -2.027 5.659 -4.470 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.684 7.623 -6.771 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.612 6.248 -6.593 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.877 7.229 -4.976 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.108 7.626 -3.421 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.745 8.598 -4.867 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.530 5.679 -8.061 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.572 4.704 -6.573 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.661 6.099 -6.753 1.00 0.00 H new ATOM 1434 N ASP A 94 -0.843 9.554 -3.823 1.00 0.00 N ATOM 1435 CA ASP A 94 -0.671 10.972 -4.122 1.00 0.00 C ATOM 1436 C ASP A 94 0.793 11.281 -4.410 1.00 0.00 C ATOM 1437 O ASP A 94 1.108 12.094 -5.278 1.00 0.00 O ATOM 1438 CB ASP A 94 -1.151 11.818 -2.942 1.00 0.00 C ATOM 1439 CG ASP A 94 -2.011 12.973 -3.444 1.00 0.00 C ATOM 1440 OD1 ASP A 94 -1.450 13.916 -3.976 1.00 0.00 O ATOM 1441 OD2 ASP A 94 -3.219 12.896 -3.289 1.00 0.00 O ATOM 0 H ASP A 94 -1.415 9.358 -3.002 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.264 11.214 -5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.724 11.201 -2.251 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.295 12.205 -2.389 1.00 0.00 H new ATOM 1446 N GLY A 95 1.685 10.622 -3.677 1.00 0.00 N ATOM 1447 CA GLY A 95 3.116 10.828 -3.863 1.00 0.00 C ATOM 1448 C GLY A 95 3.574 10.249 -5.196 1.00 0.00 C ATOM 1449 O GLY A 95 4.131 10.956 -6.034 1.00 0.00 O ATOM 0 H GLY A 95 1.444 9.945 -2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.343 11.893 -3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.665 10.357 -3.048 1.00 0.00 H new ATOM 1453 N TRP A 96 3.329 8.956 -5.385 1.00 0.00 N ATOM 1454 CA TRP A 96 3.712 8.288 -6.623 1.00 0.00 C ATOM 1455 C TRP A 96 3.322 9.136 -7.828 1.00 0.00 C ATOM 1456 O TRP A 96 4.061 9.221 -8.808 1.00 0.00 O ATOM 1457 CB TRP A 96 3.021 6.925 -6.705 1.00 0.00 C ATOM 1458 CG TRP A 96 3.011 6.445 -8.123 1.00 0.00 C ATOM 1459 CD1 TRP A 96 2.286 6.994 -9.126 1.00 0.00 C ATOM 1460 CD2 TRP A 96 3.740 5.328 -8.709 1.00 0.00 C ATOM 1461 NE1 TRP A 96 2.526 6.286 -10.289 1.00 0.00 N ATOM 1462 CE2 TRP A 96 3.415 5.250 -10.083 1.00 0.00 C ATOM 1463 CE3 TRP A 96 4.644 4.385 -8.187 1.00 0.00 C ATOM 1464 CZ2 TRP A 96 3.967 4.272 -10.912 1.00 0.00 C ATOM 1465 CZ3 TRP A 96 5.201 3.399 -9.018 1.00 0.00 C ATOM 1466 CH2 TRP A 96 4.863 3.343 -10.377 1.00 0.00 C ATOM 0 H TRP A 96 2.870 8.354 -4.701 1.00 0.00 H new ATOM 0 HA TRP A 96 4.793 8.150 -6.629 1.00 0.00 H new ATOM 0 HB2 TRP A 96 3.540 6.205 -6.072 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.000 7.002 -6.330 1.00 0.00 H new ATOM 0 HD1 TRP A 96 1.628 7.845 -9.033 1.00 0.00 H new ATOM 0 HE1 TRP A 96 2.098 6.503 -11.189 1.00 0.00 H new ATOM 0 HE3 TRP A 96 4.911 4.419 -7.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 3.704 4.234 -11.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 5.894 2.680 -8.607 1.00 0.00 H new ATOM 0 HH2 TRP A 96 5.295 2.582 -11.010 1.00 0.00 H new ATOM 1477 N LYS A 97 2.153 9.759 -7.744 1.00 0.00 N ATOM 1478 CA LYS A 97 1.661 10.600 -8.830 1.00 0.00 C ATOM 1479 C LYS A 97 2.668 11.695 -9.169 1.00 0.00 C ATOM 1480 O LYS A 97 3.183 11.754 -10.286 1.00 0.00 O ATOM 1481 CB LYS A 97 0.331 11.242 -8.430 1.00 0.00 C ATOM 1482 CG LYS A 97 0.058 12.449 -9.330 1.00 0.00 C ATOM 1483 CD LYS A 97 -1.432 12.789 -9.288 1.00 0.00 C ATOM 1484 CE LYS A 97 -2.220 11.722 -10.049 1.00 0.00 C ATOM 1485 NZ LYS A 97 -3.477 12.319 -10.581 1.00 0.00 N ATOM 0 H LYS A 97 1.530 9.699 -6.939 1.00 0.00 H new ATOM 0 HA LYS A 97 1.518 9.971 -9.709 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.477 10.517 -8.521 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.364 11.553 -7.386 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.647 13.304 -8.998 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.363 12.230 -10.353 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.775 12.842 -8.255 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.605 13.770 -9.732 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.619 11.325 -10.867 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.452 10.886 -9.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.014 11.594 -11.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.052 12.678 -9.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.244 13.102 -11.224 1.00 0.00 H new ATOM 1499 N ARG A 98 2.936 12.567 -8.202 1.00 0.00 N ATOM 1500 CA ARG A 98 3.875 13.663 -8.413 1.00 0.00 C ATOM 1501 C ARG A 98 5.306 13.146 -8.512 1.00 0.00 C ATOM 1502 O ARG A 98 6.143 13.741 -9.190 1.00 0.00 O ATOM 1503 CB ARG A 98 3.773 14.667 -7.264 1.00 0.00 C ATOM 1504 CG ARG A 98 4.456 14.097 -6.020 1.00 0.00 C ATOM 1505 CD ARG A 98 4.270 15.064 -4.850 1.00 0.00 C ATOM 1506 NE ARG A 98 2.864 15.119 -4.459 1.00 0.00 N ATOM 1507 CZ ARG A 98 2.290 16.267 -4.107 1.00 0.00 C ATOM 1508 NH1 ARG A 98 2.985 17.371 -4.092 1.00 0.00 N ATOM 1509 NH2 ARG A 98 1.029 16.287 -3.772 1.00 0.00 N ATOM 0 H ARG A 98 2.520 12.537 -7.271 1.00 0.00 H new ATOM 0 HA ARG A 98 3.617 14.153 -9.352 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.242 15.609 -7.549 1.00 0.00 H new ATOM 0 HB3 ARG A 98 2.727 14.884 -7.049 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.032 13.124 -5.773 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.518 13.942 -6.213 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.878 14.744 -4.004 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.616 16.058 -5.132 1.00 0.00 H new ATOM 0 HE ARG A 98 2.312 14.262 -4.456 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.972 17.356 -4.351 1.00 0.00 H new ATOM 0 HH12 ARG A 98 2.542 18.249 -3.822 1.00 0.00 H new ATOM 0 HH21 ARG A 98 0.485 15.424 -3.780 1.00 0.00 H new ATOM 0 HH22 ARG A 98 0.587 17.166 -3.502 1.00 0.00 H new ATOM 1523 N ALA A 99 5.582 12.038 -7.835 1.00 0.00 N ATOM 1524 CA ALA A 99 6.920 11.459 -7.860 1.00 0.00 C ATOM 1525 C ALA A 99 7.452 11.405 -9.289 1.00 0.00 C ATOM 1526 O ALA A 99 8.649 11.218 -9.510 1.00 0.00 O ATOM 1527 CB ALA A 99 6.889 10.047 -7.272 1.00 0.00 C ATOM 0 H ALA A 99 4.906 11.527 -7.268 1.00 0.00 H new ATOM 0 HA ALA A 99 7.579 12.087 -7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.892 9.621 -7.294 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.536 10.090 -6.242 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.217 9.422 -7.860 1.00 0.00 H new ATOM 1533 N GLY A 100 6.554 11.572 -10.256 1.00 0.00 N ATOM 1534 CA GLY A 100 6.945 11.542 -11.660 1.00 0.00 C ATOM 1535 C GLY A 100 6.782 10.140 -12.240 1.00 0.00 C ATOM 1536 O GLY A 100 7.601 9.692 -13.042 1.00 0.00 O ATOM 0 H GLY A 100 5.559 11.728 -10.094 1.00 0.00 H new ATOM 0 HA2 GLY A 100 6.337 12.247 -12.226 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.982 11.863 -11.760 1.00 0.00 H new ATOM 1540 N LEU A 101 5.721 9.454 -11.828 1.00 0.00 N ATOM 1541 CA LEU A 101 5.464 8.104 -12.313 1.00 0.00 C ATOM 1542 C LEU A 101 4.061 8.008 -12.915 1.00 0.00 C ATOM 1543 O LEU A 101 3.113 8.594 -12.390 1.00 0.00 O ATOM 1544 CB LEU A 101 5.592 7.105 -11.161 1.00 0.00 C ATOM 1545 CG LEU A 101 6.914 7.333 -10.430 1.00 0.00 C ATOM 1546 CD1 LEU A 101 6.920 6.535 -9.125 1.00 0.00 C ATOM 1547 CD2 LEU A 101 8.073 6.872 -11.316 1.00 0.00 C ATOM 0 H LEU A 101 5.031 9.807 -11.165 1.00 0.00 H new ATOM 0 HA LEU A 101 6.197 7.869 -13.085 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.758 7.223 -10.470 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.547 6.085 -11.544 1.00 0.00 H new ATOM 0 HG LEU A 101 7.027 8.394 -10.207 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.863 6.698 -8.603 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.095 6.864 -8.494 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.806 5.474 -9.347 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.016 7.035 -10.795 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.960 5.811 -11.540 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.069 7.441 -12.245 1.00 0.00 H new ATOM 1559 N PRO A 102 3.911 7.283 -13.994 1.00 0.00 N ATOM 1560 CA PRO A 102 2.592 7.112 -14.668 1.00 0.00 C ATOM 1561 C PRO A 102 1.670 6.170 -13.895 1.00 0.00 C ATOM 1562 O PRO A 102 2.129 5.216 -13.267 1.00 0.00 O ATOM 1563 CB PRO A 102 2.960 6.521 -16.029 1.00 0.00 C ATOM 1564 CG PRO A 102 4.249 5.801 -15.808 1.00 0.00 C ATOM 1565 CD PRO A 102 4.980 6.548 -14.691 1.00 0.00 C ATOM 0 HA PRO A 102 2.041 8.050 -14.739 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.186 5.842 -16.386 1.00 0.00 H new ATOM 0 HB3 PRO A 102 3.069 7.302 -16.781 1.00 0.00 H new ATOM 0 HG2 PRO A 102 4.070 4.763 -15.528 1.00 0.00 H new ATOM 0 HG3 PRO A 102 4.846 5.786 -16.720 1.00 0.00 H new ATOM 0 HD2 PRO A 102 5.494 5.859 -14.020 1.00 0.00 H new ATOM 0 HD3 PRO A 102 5.734 7.225 -15.091 1.00 0.00 H new ATOM 1573 N VAL A 103 0.371 6.450 -13.939 1.00 0.00 N ATOM 1574 CA VAL A 103 -0.602 5.630 -13.238 1.00 0.00 C ATOM 1575 C VAL A 103 -1.489 4.883 -14.232 1.00 0.00 C ATOM 1576 O VAL A 103 -1.425 5.127 -15.437 1.00 0.00 O ATOM 1577 CB VAL A 103 -1.465 6.518 -12.349 1.00 0.00 C ATOM 1578 CG1 VAL A 103 -0.631 7.027 -11.170 1.00 0.00 C ATOM 1579 CG2 VAL A 103 -1.981 7.708 -13.162 1.00 0.00 C ATOM 0 H VAL A 103 -0.028 7.236 -14.452 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.072 4.899 -12.627 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.310 5.942 -11.973 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -1.249 7.662 -10.535 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.265 6.179 -10.590 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.215 7.602 -11.545 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.598 8.343 -12.526 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.136 8.284 -13.540 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.576 7.345 -14.000 1.00 0.00 H new ATOM 1589 N ALA A 104 -2.314 3.973 -13.720 1.00 0.00 N ATOM 1590 CA ALA A 104 -3.207 3.200 -14.577 1.00 0.00 C ATOM 1591 C ALA A 104 -4.622 3.189 -14.008 1.00 0.00 C ATOM 1592 O ALA A 104 -4.828 2.876 -12.835 1.00 0.00 O ATOM 1593 CB ALA A 104 -2.694 1.764 -14.707 1.00 0.00 C ATOM 0 H ALA A 104 -2.382 3.755 -12.726 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.229 3.668 -15.561 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.366 1.194 -15.348 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.696 1.772 -15.145 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.654 1.301 -13.721 1.00 0.00 H new ATOM 1599 N VAL A 105 -5.595 3.529 -14.847 1.00 0.00 N ATOM 1600 CA VAL A 105 -6.989 3.555 -14.419 1.00 0.00 C ATOM 1601 C VAL A 105 -7.687 2.256 -14.801 1.00 0.00 C ATOM 1602 O VAL A 105 -7.521 1.754 -15.913 1.00 0.00 O ATOM 1603 CB VAL A 105 -7.713 4.735 -15.071 1.00 0.00 C ATOM 1604 CG1 VAL A 105 -9.044 4.991 -14.357 1.00 0.00 C ATOM 1605 CG2 VAL A 105 -6.835 5.985 -14.978 1.00 0.00 C ATOM 0 H VAL A 105 -5.445 3.789 -15.822 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.016 3.666 -13.335 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.909 4.501 -16.118 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.553 5.832 -14.827 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -9.671 4.102 -14.427 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -8.856 5.221 -13.308 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.350 6.826 -15.442 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.637 6.214 -13.931 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.892 5.807 -15.495 1.00 0.00 H new ATOM 1615 N ASN A 106 -8.469 1.714 -13.873 1.00 0.00 N ATOM 1616 CA ASN A 106 -9.185 0.471 -14.127 1.00 0.00 C ATOM 1617 C ASN A 106 -10.481 0.745 -14.884 1.00 0.00 C ATOM 1618 O ASN A 106 -11.420 1.322 -14.338 1.00 0.00 O ATOM 1619 CB ASN A 106 -9.500 -0.231 -12.803 1.00 0.00 C ATOM 1620 CG ASN A 106 -8.754 -1.559 -12.728 1.00 0.00 C ATOM 1621 OD1 ASN A 106 -7.682 -1.703 -13.314 1.00 0.00 O ATOM 1622 ND2 ASN A 106 -9.260 -2.545 -12.038 1.00 0.00 N ATOM 0 H ASN A 106 -8.622 2.112 -12.947 1.00 0.00 H new ATOM 0 HA ASN A 106 -8.552 -0.174 -14.736 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -9.212 0.406 -11.966 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.573 -0.402 -12.718 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -8.766 -3.436 -11.984 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -10.149 -2.424 -11.553 1.00 0.00 H new ATOM 1629 N LYS A 107 -10.524 0.324 -16.144 1.00 0.00 N ATOM 1630 CA LYS A 107 -11.710 0.528 -16.966 1.00 0.00 C ATOM 1631 C LYS A 107 -12.179 -0.796 -17.562 1.00 0.00 C ATOM 1632 O LYS A 107 -11.947 -1.818 -16.938 1.00 0.00 O ATOM 1633 CB LYS A 107 -11.405 1.518 -18.092 1.00 0.00 C ATOM 1634 CG LYS A 107 -12.712 2.129 -18.599 1.00 0.00 C ATOM 1635 CD LYS A 107 -12.636 2.312 -20.115 1.00 0.00 C ATOM 1636 CE LYS A 107 -13.924 2.971 -20.614 1.00 0.00 C ATOM 1637 NZ LYS A 107 -15.008 1.952 -20.682 1.00 0.00 N ATOM 1638 OXT LYS A 107 -12.762 -0.768 -18.632 1.00 0.00 O ATOM 0 H LYS A 107 -9.757 -0.157 -16.615 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.502 0.932 -16.335 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.740 2.303 -17.731 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -10.888 1.011 -18.907 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -13.551 1.483 -18.342 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -12.889 3.089 -18.115 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -11.775 2.928 -20.375 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -12.496 1.347 -20.602 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -14.213 3.781 -19.945 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -13.762 3.412 -21.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -15.865 2.383 -21.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -14.703 1.160 -21.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -15.214 1.600 -19.725 1.00 0.00 H new