USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 949 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 3 THR OG1 : rot 26:sc= 0.0391 USER MOD Set 1.2: A 93 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.203) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot -120:sc= -1.57 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc=-0.00191 X(o=-0.0019,f=-0.12) USER MOD Single : A 28 THR OG1 : rot -163:sc= -1.01 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 34:sc= 0.0464 USER MOD Single : A 41 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 45 TYR OH : rot -84:sc= 1.47 USER MOD Single : A 46 GLN : amide:sc= -0.317 K(o=-0.32,f=-1.8!) USER MOD Single : A 47 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.43) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 52 CYS SG : rot 141:sc= 1.51 USER MOD Single : A 53 THR OG1 : rot 130:sc= 1.03 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 157:sc= 0.594 (180deg=0.325) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.053 X(o=-0.053,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.425 USER MOD Single : A 96 THR OG1 : rot 36:sc= 0.745 USER MOD Single : A 98 LYS NZ :NH3+ -124:sc= 0 (180deg=-1.41) USER MOD Single : A 99 THR OG1 : rot 73:sc= 0.00484 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -0.912 K(o=-0.91,f=-1.8!) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ -138:sc=0.000524 (180deg=-0.383) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -0.0337 X(o=-0.034,f=0) USER MOD Single : A 126 LYS NZ :NH3+ -136:sc= 0.765 (180deg=-0.0344) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N THR A 3 -2.920 -17.542 -9.971 1.00 0.00 N ATOM 14 CA THR A 3 -3.487 -16.698 -8.918 1.00 0.00 C ATOM 15 C THR A 3 -4.659 -15.876 -9.452 1.00 0.00 C ATOM 16 O THR A 3 -4.539 -15.202 -10.476 1.00 0.00 O ATOM 17 CB THR A 3 -2.414 -15.763 -8.345 1.00 0.00 C ATOM 18 OG1 THR A 3 -1.151 -16.407 -8.302 1.00 0.00 O ATOM 19 CG2 THR A 3 -2.727 -15.278 -6.946 1.00 0.00 C ATOM 0 HA THR A 3 -3.852 -17.350 -8.124 1.00 0.00 H new ATOM 0 HB THR A 3 -2.396 -14.905 -9.017 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.117 -17.106 -8.988 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.928 -14.621 -6.601 1.00 0.00 H new ATOM 0 HG22 THR A 3 -3.669 -14.730 -6.953 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.809 -16.133 -6.275 1.00 0.00 H new ATOM 27 N LYS A 4 -5.792 -15.939 -8.754 1.00 0.00 N ATOM 28 CA LYS A 4 -6.985 -15.200 -9.160 1.00 0.00 C ATOM 29 C LYS A 4 -7.314 -14.098 -8.157 1.00 0.00 C ATOM 30 O LYS A 4 -7.074 -14.244 -6.958 1.00 0.00 O ATOM 31 CB LYS A 4 -8.180 -16.147 -9.304 1.00 0.00 C ATOM 32 CG LYS A 4 -8.369 -16.683 -10.716 1.00 0.00 C ATOM 33 CD LYS A 4 -8.861 -15.599 -11.664 1.00 0.00 C ATOM 34 CE LYS A 4 -8.135 -15.651 -13.001 1.00 0.00 C ATOM 35 NZ LYS A 4 -7.817 -14.290 -13.518 1.00 0.00 N ATOM 0 H LYS A 4 -5.908 -16.494 -7.906 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.779 -14.738 -10.126 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.052 -16.986 -8.620 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.086 -15.623 -8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.425 -17.087 -11.082 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.083 -17.506 -10.701 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.932 -15.716 -11.827 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.713 -14.621 -11.207 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.213 -16.221 -12.891 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.752 -16.180 -13.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.323 -14.372 -14.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.698 -13.753 -13.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.207 -13.794 -12.837 1.00 0.00 H new ATOM 49 N ILE A 5 -7.869 -12.997 -8.656 1.00 0.00 N ATOM 50 CA ILE A 5 -8.237 -11.870 -7.806 1.00 0.00 C ATOM 51 C ILE A 5 -9.754 -11.747 -7.688 1.00 0.00 C ATOM 52 O ILE A 5 -10.462 -11.695 -8.697 1.00 0.00 O ATOM 53 CB ILE A 5 -7.647 -10.540 -8.339 1.00 0.00 C ATOM 54 CG1 ILE A 5 -7.990 -9.384 -7.395 1.00 0.00 C ATOM 55 CG2 ILE A 5 -8.149 -10.247 -9.748 1.00 0.00 C ATOM 56 CD1 ILE A 5 -6.856 -8.402 -7.205 1.00 0.00 C ATOM 0 H ILE A 5 -8.074 -12.862 -9.646 1.00 0.00 H new ATOM 0 HA ILE A 5 -7.818 -12.063 -6.819 1.00 0.00 H new ATOM 0 HB ILE A 5 -6.563 -10.643 -8.381 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.858 -8.853 -7.785 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.274 -9.790 -6.424 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.720 -9.308 -10.099 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.850 -11.055 -10.416 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.236 -10.168 -9.738 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.170 -7.611 -6.525 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.993 -8.919 -6.786 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.586 -7.967 -8.167 1.00 0.00 H new ATOM 68 N ASP A 6 -10.248 -11.699 -6.452 1.00 0.00 N ATOM 69 CA ASP A 6 -11.681 -11.578 -6.210 1.00 0.00 C ATOM 70 C ASP A 6 -12.128 -10.127 -6.361 1.00 0.00 C ATOM 71 O ASP A 6 -11.824 -9.281 -5.517 1.00 0.00 O ATOM 72 CB ASP A 6 -12.040 -12.101 -4.817 1.00 0.00 C ATOM 73 CG ASP A 6 -13.537 -12.274 -4.633 1.00 0.00 C ATOM 74 OD1 ASP A 6 -14.127 -13.124 -5.331 1.00 0.00 O ATOM 75 OD2 ASP A 6 -14.118 -11.556 -3.795 1.00 0.00 O ATOM 0 H ASP A 6 -9.678 -11.742 -5.607 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.204 -12.183 -6.951 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.543 -13.057 -4.651 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.661 -11.410 -4.064 1.00 0.00 H new ATOM 80 N LYS A 7 -12.848 -9.848 -7.447 1.00 0.00 N ATOM 81 CA LYS A 7 -13.338 -8.500 -7.721 1.00 0.00 C ATOM 82 C LYS A 7 -14.313 -8.034 -6.641 1.00 0.00 C ATOM 83 O LYS A 7 -14.298 -6.867 -6.249 1.00 0.00 O ATOM 84 CB LYS A 7 -14.014 -8.450 -9.094 1.00 0.00 C ATOM 85 CG LYS A 7 -13.050 -8.164 -10.237 1.00 0.00 C ATOM 86 CD LYS A 7 -13.449 -6.916 -11.012 1.00 0.00 C ATOM 87 CE LYS A 7 -13.562 -7.195 -12.505 1.00 0.00 C ATOM 88 NZ LYS A 7 -14.674 -6.426 -13.135 1.00 0.00 N ATOM 0 H LYS A 7 -13.105 -10.539 -8.152 1.00 0.00 H new ATOM 0 HA LYS A 7 -12.481 -7.826 -7.719 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -14.512 -9.402 -9.279 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -14.788 -7.682 -9.081 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.042 -8.039 -9.840 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.023 -9.019 -10.913 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.403 -6.544 -10.638 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.712 -6.131 -10.843 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.622 -6.939 -12.994 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.724 -8.261 -12.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -14.716 -6.645 -14.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.575 -6.688 -12.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.508 -5.407 -13.007 1.00 0.00 H new ATOM 102 N GLU A 8 -15.157 -8.952 -6.163 1.00 0.00 N ATOM 103 CA GLU A 8 -16.139 -8.633 -5.127 1.00 0.00 C ATOM 104 C GLU A 8 -15.459 -8.085 -3.873 1.00 0.00 C ATOM 105 O GLU A 8 -15.823 -7.016 -3.379 1.00 0.00 O ATOM 106 CB GLU A 8 -16.971 -9.874 -4.779 1.00 0.00 C ATOM 107 CG GLU A 8 -18.413 -9.560 -4.405 1.00 0.00 C ATOM 108 CD GLU A 8 -19.413 -10.402 -5.175 1.00 0.00 C ATOM 109 OE1 GLU A 8 -19.667 -11.552 -4.760 1.00 0.00 O ATOM 110 OE2 GLU A 8 -19.942 -9.910 -6.194 1.00 0.00 O ATOM 0 H GLU A 8 -15.179 -9.922 -6.478 1.00 0.00 H new ATOM 0 HA GLU A 8 -16.802 -7.861 -5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -16.966 -10.554 -5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -16.496 -10.398 -3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -18.551 -9.725 -3.336 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -18.611 -8.505 -4.593 1.00 0.00 H new ATOM 117 N ALA A 9 -14.469 -8.820 -3.364 1.00 0.00 N ATOM 118 CA ALA A 9 -13.738 -8.405 -2.170 1.00 0.00 C ATOM 119 C ALA A 9 -12.989 -7.097 -2.409 1.00 0.00 C ATOM 120 O ALA A 9 -13.111 -6.153 -1.627 1.00 0.00 O ATOM 121 CB ALA A 9 -12.775 -9.500 -1.732 1.00 0.00 C ATOM 0 H ALA A 9 -14.156 -9.706 -3.762 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.461 -8.235 -1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.237 -9.176 -0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -13.334 -10.408 -1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -12.063 -9.700 -2.533 1.00 0.00 H new ATOM 127 N CYS A 10 -12.218 -7.045 -3.497 1.00 0.00 N ATOM 128 CA CYS A 10 -11.454 -5.848 -3.842 1.00 0.00 C ATOM 129 C CYS A 10 -12.361 -4.618 -3.918 1.00 0.00 C ATOM 130 O CYS A 10 -12.012 -3.549 -3.416 1.00 0.00 O ATOM 131 CB CYS A 10 -10.731 -6.049 -5.174 1.00 0.00 C ATOM 132 SG CYS A 10 -9.088 -6.788 -5.018 1.00 0.00 S ATOM 0 H CYS A 10 -12.107 -7.818 -4.153 1.00 0.00 H new ATOM 0 HA CYS A 10 -10.717 -5.680 -3.057 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -11.343 -6.683 -5.815 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.638 -5.085 -5.674 1.00 0.00 H new ATOM 0 HG CYS A 10 -8.198 -5.975 -5.505 1.00 0.00 H new ATOM 138 N ARG A 11 -13.528 -4.784 -4.543 1.00 0.00 N ATOM 139 CA ARG A 11 -14.495 -3.693 -4.681 1.00 0.00 C ATOM 140 C ARG A 11 -14.960 -3.208 -3.310 1.00 0.00 C ATOM 141 O ARG A 11 -15.023 -2.003 -3.060 1.00 0.00 O ATOM 142 CB ARG A 11 -15.703 -4.145 -5.511 1.00 0.00 C ATOM 143 CG ARG A 11 -16.104 -3.161 -6.601 1.00 0.00 C ATOM 144 CD ARG A 11 -16.578 -3.880 -7.856 1.00 0.00 C ATOM 145 NE ARG A 11 -18.029 -3.797 -8.024 1.00 0.00 N ATOM 146 CZ ARG A 11 -18.899 -4.664 -7.498 1.00 0.00 C ATOM 147 NH1 ARG A 11 -18.474 -5.688 -6.762 1.00 0.00 N ATOM 148 NH2 ARG A 11 -20.200 -4.505 -7.707 1.00 0.00 N ATOM 0 H ARG A 11 -13.827 -5.665 -4.962 1.00 0.00 H new ATOM 0 HA ARG A 11 -14.002 -2.869 -5.196 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -15.477 -5.108 -5.969 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -16.552 -4.300 -4.845 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -16.897 -2.511 -6.232 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -15.256 -2.522 -6.845 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -16.087 -3.448 -8.728 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -16.278 -4.927 -7.808 1.00 0.00 H new ATOM 0 HE ARG A 11 -18.401 -3.026 -8.579 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -17.476 -5.817 -6.595 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -19.146 -6.344 -6.365 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -20.534 -3.722 -8.268 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -20.865 -5.166 -7.306 1.00 0.00 H new ATOM 162 N ALA A 12 -15.278 -4.156 -2.425 1.00 0.00 N ATOM 163 CA ALA A 12 -15.728 -3.832 -1.074 1.00 0.00 C ATOM 164 C ALA A 12 -14.716 -2.935 -0.366 1.00 0.00 C ATOM 165 O ALA A 12 -15.089 -1.961 0.288 1.00 0.00 O ATOM 166 CB ALA A 12 -15.961 -5.104 -0.272 1.00 0.00 C ATOM 0 H ALA A 12 -15.231 -5.156 -2.623 1.00 0.00 H new ATOM 0 HA ALA A 12 -16.671 -3.290 -1.150 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -16.296 -4.845 0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.722 -5.710 -0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -15.032 -5.670 -0.210 1.00 0.00 H new ATOM 172 N ALA A 13 -13.431 -3.272 -0.509 1.00 0.00 N ATOM 173 CA ALA A 13 -12.360 -2.496 0.107 1.00 0.00 C ATOM 174 C ALA A 13 -12.361 -1.059 -0.408 1.00 0.00 C ATOM 175 O ALA A 13 -12.372 -0.112 0.378 1.00 0.00 O ATOM 176 CB ALA A 13 -11.011 -3.155 -0.149 1.00 0.00 C ATOM 0 H ALA A 13 -13.111 -4.078 -1.047 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.535 -2.469 1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.223 -2.564 0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.010 -4.159 0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.833 -3.215 -1.223 1.00 0.00 H new ATOM 182 N TYR A 14 -12.358 -0.904 -1.736 1.00 0.00 N ATOM 183 CA TYR A 14 -12.365 0.421 -2.358 1.00 0.00 C ATOM 184 C TYR A 14 -13.558 1.243 -1.875 1.00 0.00 C ATOM 185 O TYR A 14 -13.410 2.414 -1.524 1.00 0.00 O ATOM 186 CB TYR A 14 -12.404 0.297 -3.885 1.00 0.00 C ATOM 187 CG TYR A 14 -11.875 1.517 -4.615 1.00 0.00 C ATOM 188 CD1 TYR A 14 -12.473 2.762 -4.456 1.00 0.00 C ATOM 189 CD2 TYR A 14 -10.783 1.422 -5.470 1.00 0.00 C ATOM 190 CE1 TYR A 14 -11.998 3.874 -5.126 1.00 0.00 C ATOM 191 CE2 TYR A 14 -10.304 2.530 -6.144 1.00 0.00 C ATOM 192 CZ TYR A 14 -10.915 3.751 -5.968 1.00 0.00 C ATOM 193 OH TYR A 14 -10.445 4.855 -6.641 1.00 0.00 O ATOM 0 H TYR A 14 -12.351 -1.679 -2.399 1.00 0.00 H new ATOM 0 HA TYR A 14 -11.448 0.933 -2.066 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -11.821 -0.574 -4.184 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -13.432 0.115 -4.199 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -13.323 2.862 -3.798 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.300 0.466 -5.610 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -12.474 4.834 -4.990 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.455 2.438 -6.805 1.00 0.00 H new ATOM 0 HH TYR A 14 -9.676 4.599 -7.192 1.00 0.00 H new ATOM 203 N ASN A 15 -14.739 0.621 -1.856 1.00 0.00 N ATOM 204 CA ASN A 15 -15.960 1.294 -1.414 1.00 0.00 C ATOM 205 C ASN A 15 -15.810 1.832 0.009 1.00 0.00 C ATOM 206 O ASN A 15 -16.165 2.979 0.287 1.00 0.00 O ATOM 207 CB ASN A 15 -17.150 0.333 -1.484 1.00 0.00 C ATOM 208 CG ASN A 15 -17.832 0.345 -2.841 1.00 0.00 C ATOM 209 OD1 ASN A 15 -18.245 1.397 -3.332 1.00 0.00 O ATOM 210 ND2 ASN A 15 -17.955 -0.827 -3.456 1.00 0.00 N ATOM 0 H ASN A 15 -14.875 -0.349 -2.142 1.00 0.00 H new ATOM 0 HA ASN A 15 -16.138 2.137 -2.082 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -16.809 -0.678 -1.262 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.875 0.601 -0.715 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -18.405 -0.879 -4.370 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -17.599 -1.675 -3.014 1.00 0.00 H new ATOM 217 N LEU A 16 -15.278 0.998 0.904 1.00 0.00 N ATOM 218 CA LEU A 16 -15.076 1.386 2.301 1.00 0.00 C ATOM 219 C LEU A 16 -14.018 2.484 2.419 1.00 0.00 C ATOM 220 O LEU A 16 -14.197 3.446 3.166 1.00 0.00 O ATOM 221 CB LEU A 16 -14.665 0.168 3.133 1.00 0.00 C ATOM 222 CG LEU A 16 -15.104 0.197 4.600 1.00 0.00 C ATOM 223 CD1 LEU A 16 -15.423 -1.208 5.088 1.00 0.00 C ATOM 224 CD2 LEU A 16 -14.023 0.830 5.465 1.00 0.00 C ATOM 0 H LEU A 16 -14.979 0.048 0.686 1.00 0.00 H new ATOM 0 HA LEU A 16 -16.018 1.779 2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -15.077 -0.726 2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.580 0.075 3.098 1.00 0.00 H new ATOM 0 HG LEU A 16 -16.007 0.802 4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.733 -1.169 6.132 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.228 -1.628 4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -14.536 -1.835 4.996 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -14.350 0.843 6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -13.104 0.250 5.381 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.840 1.851 5.129 1.00 0.00 H new ATOM 236 N VAL A 17 -12.920 2.334 1.677 1.00 0.00 N ATOM 237 CA VAL A 17 -11.837 3.316 1.695 1.00 0.00 C ATOM 238 C VAL A 17 -12.300 4.653 1.113 1.00 0.00 C ATOM 239 O VAL A 17 -11.858 5.716 1.552 1.00 0.00 O ATOM 240 CB VAL A 17 -10.604 2.817 0.910 1.00 0.00 C ATOM 241 CG1 VAL A 17 -9.470 3.828 0.981 1.00 0.00 C ATOM 242 CG2 VAL A 17 -10.147 1.463 1.434 1.00 0.00 C ATOM 0 H VAL A 17 -12.758 1.541 1.056 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.553 3.456 2.738 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.892 2.703 -0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.613 3.454 0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.799 4.774 0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.184 3.981 2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.277 1.129 0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -9.882 1.551 2.488 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.953 0.738 1.322 1.00 0.00 H new ATOM 252 N ARG A 18 -13.198 4.590 0.126 1.00 0.00 N ATOM 253 CA ARG A 18 -13.730 5.794 -0.511 1.00 0.00 C ATOM 254 C ARG A 18 -14.421 6.688 0.516 1.00 0.00 C ATOM 255 O ARG A 18 -14.298 7.912 0.463 1.00 0.00 O ATOM 256 CB ARG A 18 -14.714 5.421 -1.625 1.00 0.00 C ATOM 257 CG ARG A 18 -14.391 6.067 -2.963 1.00 0.00 C ATOM 258 CD ARG A 18 -15.456 5.751 -4.001 1.00 0.00 C ATOM 259 NE ARG A 18 -14.991 6.013 -5.362 1.00 0.00 N ATOM 260 CZ ARG A 18 -15.792 6.063 -6.429 1.00 0.00 C ATOM 261 NH1 ARG A 18 -17.103 5.871 -6.301 1.00 0.00 N ATOM 262 NH2 ARG A 18 -15.279 6.308 -7.629 1.00 0.00 N ATOM 0 H ARG A 18 -13.571 3.717 -0.248 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.895 6.344 -0.946 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.720 4.338 -1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.720 5.713 -1.323 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.311 7.147 -2.838 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.421 5.714 -3.315 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.748 4.705 -3.913 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -16.346 6.348 -3.801 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.993 6.167 -5.505 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.504 5.684 -5.382 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.707 5.911 -7.122 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.275 6.457 -7.734 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.888 6.347 -8.446 1.00 0.00 H new ATOM 276 N ASP A 19 -15.135 6.068 1.455 1.00 0.00 N ATOM 277 CA ASP A 19 -15.830 6.809 2.499 1.00 0.00 C ATOM 278 C ASP A 19 -14.857 7.204 3.605 1.00 0.00 C ATOM 279 O ASP A 19 -14.130 6.361 4.135 1.00 0.00 O ATOM 280 CB ASP A 19 -16.975 5.981 3.084 1.00 0.00 C ATOM 281 CG ASP A 19 -18.038 6.851 3.727 1.00 0.00 C ATOM 282 OD1 ASP A 19 -18.835 7.457 2.982 1.00 0.00 O ATOM 283 OD2 ASP A 19 -18.069 6.930 4.972 1.00 0.00 O ATOM 0 H ASP A 19 -15.245 5.056 1.511 1.00 0.00 H new ATOM 0 HA ASP A 19 -16.248 7.711 2.053 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -17.427 5.380 2.295 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.578 5.287 3.825 1.00 0.00 H new ATOM 318 N ALA A 23 -13.700 5.133 10.366 1.00 0.00 N ATOM 319 CA ALA A 23 -12.529 4.892 11.214 1.00 0.00 C ATOM 320 C ALA A 23 -11.464 4.043 10.511 1.00 0.00 C ATOM 321 O ALA A 23 -10.705 3.326 11.165 1.00 0.00 O ATOM 322 CB ALA A 23 -12.953 4.237 12.523 1.00 0.00 C ATOM 0 HA ALA A 23 -12.077 5.861 11.425 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.074 4.063 13.144 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.646 4.893 13.050 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.442 3.286 12.312 1.00 0.00 H new ATOM 328 N VAL A 24 -11.405 4.132 9.180 1.00 0.00 N ATOM 329 CA VAL A 24 -10.425 3.371 8.403 1.00 0.00 C ATOM 330 C VAL A 24 -9.745 4.261 7.358 1.00 0.00 C ATOM 331 O VAL A 24 -10.417 4.906 6.551 1.00 0.00 O ATOM 332 CB VAL A 24 -11.082 2.161 7.701 1.00 0.00 C ATOM 333 CG1 VAL A 24 -10.044 1.339 6.948 1.00 0.00 C ATOM 334 CG2 VAL A 24 -11.823 1.291 8.709 1.00 0.00 C ATOM 0 H VAL A 24 -12.022 4.721 8.620 1.00 0.00 H new ATOM 0 HA VAL A 24 -9.674 3.004 9.102 1.00 0.00 H new ATOM 0 HB VAL A 24 -11.803 2.542 6.978 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.532 0.493 6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.563 1.962 6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.293 0.972 7.648 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -12.278 0.445 8.194 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.122 0.925 9.459 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.600 1.880 9.196 1.00 0.00 H new ATOM 344 N ILE A 25 -8.410 4.292 7.382 1.00 0.00 N ATOM 345 CA ILE A 25 -7.640 5.105 6.436 1.00 0.00 C ATOM 346 C ILE A 25 -6.829 4.238 5.469 1.00 0.00 C ATOM 347 O ILE A 25 -6.601 4.629 4.322 1.00 0.00 O ATOM 348 CB ILE A 25 -6.694 6.088 7.163 1.00 0.00 C ATOM 349 CG1 ILE A 25 -5.670 5.332 8.015 1.00 0.00 C ATOM 350 CG2 ILE A 25 -7.493 7.055 8.025 1.00 0.00 C ATOM 351 CD1 ILE A 25 -4.244 5.499 7.537 1.00 0.00 C ATOM 0 H ILE A 25 -7.841 3.765 8.044 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.369 5.679 5.863 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.153 6.659 6.409 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.742 5.678 9.046 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.922 4.272 8.016 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.812 7.740 8.530 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.178 7.623 7.395 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.062 6.496 8.768 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.574 4.936 8.187 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.156 5.127 6.516 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.973 6.554 7.563 1.00 0.00 H new ATOM 363 N TRP A 26 -6.398 3.061 5.932 1.00 0.00 N ATOM 364 CA TRP A 26 -5.622 2.147 5.097 1.00 0.00 C ATOM 365 C TRP A 26 -6.239 0.749 5.097 1.00 0.00 C ATOM 366 O TRP A 26 -6.978 0.383 6.015 1.00 0.00 O ATOM 367 CB TRP A 26 -4.159 2.085 5.565 1.00 0.00 C ATOM 368 CG TRP A 26 -3.969 1.476 6.925 1.00 0.00 C ATOM 369 CD1 TRP A 26 -3.724 2.141 8.091 1.00 0.00 C ATOM 370 CD2 TRP A 26 -3.996 0.080 7.257 1.00 0.00 C ATOM 371 NE1 TRP A 26 -3.600 1.247 9.126 1.00 0.00 N ATOM 372 CE2 TRP A 26 -3.763 -0.020 8.642 1.00 0.00 C ATOM 373 CE3 TRP A 26 -4.197 -1.093 6.523 1.00 0.00 C ATOM 374 CZ2 TRP A 26 -3.723 -1.243 9.304 1.00 0.00 C ATOM 375 CZ3 TRP A 26 -4.157 -2.307 7.184 1.00 0.00 C ATOM 376 CH2 TRP A 26 -3.924 -2.372 8.561 1.00 0.00 C ATOM 0 H TRP A 26 -6.574 2.722 6.878 1.00 0.00 H new ATOM 0 HA TRP A 26 -5.642 2.531 4.077 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.582 1.512 4.839 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -3.749 3.095 5.572 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -3.640 3.214 8.186 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -3.416 1.490 10.099 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -4.380 -1.052 5.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -3.540 -1.298 10.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -4.308 -3.220 6.627 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -3.902 -3.336 9.048 1.00 0.00 H new ATOM 387 N VAL A 27 -5.928 -0.026 4.059 1.00 0.00 N ATOM 388 CA VAL A 27 -6.444 -1.385 3.922 1.00 0.00 C ATOM 389 C VAL A 27 -5.365 -2.321 3.376 1.00 0.00 C ATOM 390 O VAL A 27 -4.545 -1.911 2.552 1.00 0.00 O ATOM 391 CB VAL A 27 -7.675 -1.430 2.992 1.00 0.00 C ATOM 392 CG1 VAL A 27 -8.888 -0.822 3.680 1.00 0.00 C ATOM 393 CG2 VAL A 27 -7.389 -0.712 1.678 1.00 0.00 C ATOM 0 H VAL A 27 -5.317 0.268 3.297 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.744 -1.717 4.916 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.893 -2.474 2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.746 -0.863 3.009 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.111 -1.383 4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.678 0.216 3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.271 -0.757 1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.140 0.330 1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.551 -1.195 1.174 1.00 0.00 H new ATOM 403 N THR A 28 -5.363 -3.574 3.834 1.00 0.00 N ATOM 404 CA THR A 28 -4.369 -4.544 3.374 1.00 0.00 C ATOM 405 C THR A 28 -4.852 -5.265 2.116 1.00 0.00 C ATOM 406 O THR A 28 -6.045 -5.272 1.815 1.00 0.00 O ATOM 407 CB THR A 28 -4.057 -5.558 4.484 1.00 0.00 C ATOM 408 OG1 THR A 28 -3.525 -4.907 5.623 1.00 0.00 O ATOM 409 CG2 THR A 28 -3.067 -6.628 4.073 1.00 0.00 C ATOM 0 H THR A 28 -6.030 -3.938 4.515 1.00 0.00 H new ATOM 0 HA THR A 28 -3.456 -4.003 3.127 1.00 0.00 H new ATOM 0 HB THR A 28 -5.012 -6.036 4.703 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.088 -5.566 6.202 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.897 -7.307 4.909 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.466 -7.187 3.227 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.124 -6.161 3.787 1.00 0.00 H new ATOM 417 N PHE A 29 -3.920 -5.876 1.386 1.00 0.00 N ATOM 418 CA PHE A 29 -4.254 -6.608 0.169 1.00 0.00 C ATOM 419 C PHE A 29 -3.356 -7.833 0.018 1.00 0.00 C ATOM 420 O PHE A 29 -2.225 -7.735 -0.458 1.00 0.00 O ATOM 421 CB PHE A 29 -4.130 -5.703 -1.056 1.00 0.00 C ATOM 422 CG PHE A 29 -5.371 -4.904 -1.332 1.00 0.00 C ATOM 423 CD1 PHE A 29 -5.622 -3.723 -0.647 1.00 0.00 C ATOM 424 CD2 PHE A 29 -6.291 -5.336 -2.273 1.00 0.00 C ATOM 425 CE1 PHE A 29 -6.767 -2.992 -0.899 1.00 0.00 C ATOM 426 CE2 PHE A 29 -7.437 -4.608 -2.528 1.00 0.00 C ATOM 427 CZ PHE A 29 -7.675 -3.434 -1.841 1.00 0.00 C ATOM 0 H PHE A 29 -2.927 -5.878 1.618 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.288 -6.944 0.245 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.292 -5.021 -0.912 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.898 -6.314 -1.928 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.915 -3.372 0.090 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.110 -6.253 -2.814 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.952 -2.075 -0.359 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.146 -4.957 -3.264 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.570 -2.863 -2.040 1.00 0.00 H new ATOM 437 N LYS A 30 -3.870 -8.983 0.440 1.00 0.00 N ATOM 438 CA LYS A 30 -3.126 -10.238 0.372 1.00 0.00 C ATOM 439 C LYS A 30 -3.963 -11.335 -0.284 1.00 0.00 C ATOM 440 O LYS A 30 -5.096 -11.093 -0.703 1.00 0.00 O ATOM 441 CB LYS A 30 -2.680 -10.672 1.771 1.00 0.00 C ATOM 442 CG LYS A 30 -3.831 -10.963 2.723 1.00 0.00 C ATOM 443 CD LYS A 30 -4.048 -9.821 3.705 1.00 0.00 C ATOM 444 CE LYS A 30 -4.191 -10.327 5.133 1.00 0.00 C ATOM 445 NZ LYS A 30 -5.497 -11.010 5.360 1.00 0.00 N ATOM 0 H LYS A 30 -4.806 -9.073 0.836 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.240 -10.074 -0.242 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.060 -11.564 1.683 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.055 -9.890 2.201 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.744 -11.130 2.151 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.626 -11.882 3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.210 -9.127 3.647 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.942 -9.265 3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.378 -11.018 5.355 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.096 -9.490 5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.551 -11.338 6.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.274 -10.344 5.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.579 -11.825 4.719 1.00 0.00 H new ATOM 459 N TYR A 31 -3.400 -12.539 -0.378 1.00 0.00 N ATOM 460 CA TYR A 31 -4.106 -13.662 -0.987 1.00 0.00 C ATOM 461 C TYR A 31 -4.431 -14.739 0.047 1.00 0.00 C ATOM 462 O TYR A 31 -3.533 -15.329 0.654 1.00 0.00 O ATOM 463 CB TYR A 31 -3.289 -14.258 -2.141 1.00 0.00 C ATOM 464 CG TYR A 31 -1.963 -14.863 -1.722 1.00 0.00 C ATOM 465 CD1 TYR A 31 -0.848 -14.063 -1.508 1.00 0.00 C ATOM 466 CD2 TYR A 31 -1.829 -16.235 -1.547 1.00 0.00 C ATOM 467 CE1 TYR A 31 0.363 -14.613 -1.133 1.00 0.00 C ATOM 468 CE2 TYR A 31 -0.623 -16.791 -1.169 1.00 0.00 C ATOM 469 CZ TYR A 31 0.471 -15.977 -0.964 1.00 0.00 C ATOM 470 OH TYR A 31 1.676 -16.526 -0.589 1.00 0.00 O ATOM 0 H TYR A 31 -2.463 -12.760 -0.042 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.046 -13.283 -1.387 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.885 -15.026 -2.634 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.102 -13.478 -2.879 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.929 -12.994 -1.637 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.682 -16.877 -1.709 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.221 -13.977 -0.973 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.537 -17.859 -1.034 1.00 0.00 H new ATOM 0 HH TYR A 31 1.583 -17.499 -0.512 1.00 0.00 H new ATOM 480 N ASP A 32 -5.724 -14.992 0.239 1.00 0.00 N ATOM 481 CA ASP A 32 -6.179 -16.002 1.190 1.00 0.00 C ATOM 482 C ASP A 32 -6.368 -17.342 0.485 1.00 0.00 C ATOM 483 O ASP A 32 -7.265 -17.494 -0.347 1.00 0.00 O ATOM 484 CB ASP A 32 -7.490 -15.564 1.854 1.00 0.00 C ATOM 485 CG ASP A 32 -7.264 -14.667 3.058 1.00 0.00 C ATOM 486 OD1 ASP A 32 -6.782 -13.529 2.871 1.00 0.00 O ATOM 487 OD2 ASP A 32 -7.570 -15.102 4.188 1.00 0.00 O ATOM 0 H ASP A 32 -6.476 -14.510 -0.253 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.420 -16.115 1.964 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.105 -15.038 1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.049 -16.447 2.163 1.00 0.00 H new ATOM 492 N GLY A 33 -5.510 -18.306 0.813 1.00 0.00 N ATOM 493 CA GLY A 33 -5.592 -19.618 0.194 1.00 0.00 C ATOM 494 C GLY A 33 -5.011 -19.629 -1.207 1.00 0.00 C ATOM 495 O GLY A 33 -3.906 -20.128 -1.423 1.00 0.00 O ATOM 0 H GLY A 33 -4.760 -18.201 1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.061 -20.343 0.811 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.634 -19.935 0.156 1.00 0.00 H new ATOM 499 N SER A 34 -5.757 -19.072 -2.159 1.00 0.00 N ATOM 500 CA SER A 34 -5.312 -19.008 -3.550 1.00 0.00 C ATOM 501 C SER A 34 -6.077 -17.933 -4.323 1.00 0.00 C ATOM 502 O SER A 34 -6.369 -18.097 -5.511 1.00 0.00 O ATOM 503 CB SER A 34 -5.486 -20.372 -4.227 1.00 0.00 C ATOM 504 OG SER A 34 -4.422 -20.633 -5.126 1.00 0.00 O ATOM 0 H SER A 34 -6.674 -18.658 -1.992 1.00 0.00 H new ATOM 0 HA SER A 34 -4.255 -18.742 -3.555 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.527 -21.155 -3.470 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.434 -20.397 -4.764 1.00 0.00 H new ATOM 0 HG SER A 34 -4.555 -21.509 -5.544 1.00 0.00 H new ATOM 510 N THR A 35 -6.399 -16.832 -3.646 1.00 0.00 N ATOM 511 CA THR A 35 -7.130 -15.735 -4.273 1.00 0.00 C ATOM 512 C THR A 35 -6.867 -14.413 -3.552 1.00 0.00 C ATOM 513 O THR A 35 -6.787 -14.369 -2.323 1.00 0.00 O ATOM 514 CB THR A 35 -8.632 -16.042 -4.291 1.00 0.00 C ATOM 515 OG1 THR A 35 -9.363 -14.958 -4.836 1.00 0.00 O ATOM 516 CG2 THR A 35 -9.206 -16.342 -2.920 1.00 0.00 C ATOM 0 H THR A 35 -6.165 -16.677 -2.665 1.00 0.00 H new ATOM 0 HA THR A 35 -6.776 -15.635 -5.299 1.00 0.00 H new ATOM 0 HB THR A 35 -8.731 -16.935 -4.909 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.829 -14.521 -5.532 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.272 -16.550 -3.009 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.701 -17.210 -2.496 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.058 -15.482 -2.267 1.00 0.00 H new ATOM 524 N ILE A 36 -6.736 -13.339 -4.330 1.00 0.00 N ATOM 525 CA ILE A 36 -6.485 -12.009 -3.778 1.00 0.00 C ATOM 526 C ILE A 36 -7.723 -11.478 -3.057 1.00 0.00 C ATOM 527 O ILE A 36 -8.845 -11.622 -3.545 1.00 0.00 O ATOM 528 CB ILE A 36 -6.067 -11.007 -4.876 1.00 0.00 C ATOM 529 CG1 ILE A 36 -4.937 -11.589 -5.733 1.00 0.00 C ATOM 530 CG2 ILE A 36 -5.642 -9.681 -4.258 1.00 0.00 C ATOM 531 CD1 ILE A 36 -3.690 -11.934 -4.944 1.00 0.00 C ATOM 0 H ILE A 36 -6.800 -13.365 -5.348 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.665 -12.109 -3.067 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.927 -10.824 -5.520 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.299 -12.487 -6.235 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.677 -10.872 -6.511 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.351 -8.988 -5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.474 -9.259 -3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.797 -9.845 -3.590 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.935 -12.340 -5.617 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.303 -11.035 -4.464 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.934 -12.675 -4.183 1.00 0.00 H new ATOM 543 N VAL A 37 -7.509 -10.869 -1.891 1.00 0.00 N ATOM 544 CA VAL A 37 -8.604 -10.325 -1.095 1.00 0.00 C ATOM 545 C VAL A 37 -8.091 -9.285 -0.094 1.00 0.00 C ATOM 546 O VAL A 37 -7.034 -9.469 0.513 1.00 0.00 O ATOM 547 CB VAL A 37 -9.353 -11.449 -0.340 1.00 0.00 C ATOM 548 CG1 VAL A 37 -8.397 -12.240 0.544 1.00 0.00 C ATOM 549 CG2 VAL A 37 -10.510 -10.889 0.478 1.00 0.00 C ATOM 0 H VAL A 37 -6.585 -10.741 -1.478 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.298 -9.840 -1.782 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.769 -12.128 -1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.947 -13.024 1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.619 -12.690 -0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.940 -11.572 1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.016 -11.703 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.128 -10.176 1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.215 -10.387 -0.185 1.00 0.00 H new ATOM 559 N PRO A 38 -8.838 -8.177 0.097 1.00 0.00 N ATOM 560 CA PRO A 38 -8.457 -7.111 1.035 1.00 0.00 C ATOM 561 C PRO A 38 -8.225 -7.643 2.449 1.00 0.00 C ATOM 562 O PRO A 38 -8.800 -8.661 2.840 1.00 0.00 O ATOM 563 CB PRO A 38 -9.652 -6.147 1.009 1.00 0.00 C ATOM 564 CG PRO A 38 -10.764 -6.915 0.377 1.00 0.00 C ATOM 565 CD PRO A 38 -10.111 -7.873 -0.575 1.00 0.00 C ATOM 0 HA PRO A 38 -7.517 -6.638 0.748 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -9.919 -5.824 2.015 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.420 -5.248 0.437 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.348 -7.447 1.128 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.450 -6.250 -0.147 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -10.714 -8.769 -0.726 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.954 -7.425 -1.556 1.00 0.00 H new ATOM 573 N GLY A 39 -7.376 -6.950 3.205 1.00 0.00 N ATOM 574 CA GLY A 39 -7.071 -7.357 4.556 1.00 0.00 C ATOM 575 C GLY A 39 -7.328 -6.260 5.571 1.00 0.00 C ATOM 576 O GLY A 39 -8.201 -5.418 5.375 1.00 0.00 O ATOM 0 H GLY A 39 -6.893 -6.106 2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.671 -8.231 4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.026 -7.660 4.612 1.00 0.00 H new ATOM 580 N GLU A 40 -6.553 -6.290 6.652 1.00 0.00 N ATOM 581 CA GLU A 40 -6.659 -5.329 7.755 1.00 0.00 C ATOM 582 C GLU A 40 -7.102 -3.941 7.289 1.00 0.00 C ATOM 583 O GLU A 40 -6.618 -3.423 6.282 1.00 0.00 O ATOM 584 CB GLU A 40 -5.320 -5.226 8.494 1.00 0.00 C ATOM 585 CG GLU A 40 -5.029 -6.402 9.420 1.00 0.00 C ATOM 586 CD GLU A 40 -4.627 -7.660 8.671 1.00 0.00 C ATOM 587 OE1 GLU A 40 -3.788 -7.564 7.749 1.00 0.00 O ATOM 588 OE2 GLU A 40 -5.154 -8.743 9.002 1.00 0.00 O ATOM 0 H GLU A 40 -5.824 -6.989 6.792 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.429 -5.704 8.429 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.517 -5.147 7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.309 -4.306 9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.232 -6.126 10.110 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.913 -6.611 10.022 1.00 0.00 H new ATOM 595 N GLN A 41 -8.026 -3.348 8.044 1.00 0.00 N ATOM 596 CA GLN A 41 -8.552 -2.017 7.740 1.00 0.00 C ATOM 597 C GLN A 41 -8.657 -1.183 9.017 1.00 0.00 C ATOM 598 O GLN A 41 -9.623 -1.308 9.770 1.00 0.00 O ATOM 599 CB GLN A 41 -9.928 -2.125 7.068 1.00 0.00 C ATOM 600 CG GLN A 41 -9.983 -3.156 5.950 1.00 0.00 C ATOM 601 CD GLN A 41 -11.352 -3.253 5.302 1.00 0.00 C ATOM 602 OE1 GLN A 41 -11.865 -2.127 4.814 1.00 0.00 O flip ATOM 603 NE2 GLN A 41 -11.942 -4.331 5.237 1.00 0.00 N flip ATOM 0 H GLN A 41 -8.429 -3.773 8.879 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.865 -1.524 7.053 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.672 -2.380 7.823 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.204 -1.150 6.665 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.244 -2.900 5.190 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.705 -4.132 6.349 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.513 -5.171 5.624 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.860 -4.384 4.796 1.00 0.00 H new ATOM 612 N GLY A 42 -7.652 -0.342 9.263 1.00 0.00 N ATOM 613 CA GLY A 42 -7.649 0.484 10.460 1.00 0.00 C ATOM 614 C GLY A 42 -7.096 1.876 10.231 1.00 0.00 C ATOM 615 O GLY A 42 -6.504 2.159 9.188 1.00 0.00 O ATOM 0 H GLY A 42 -6.842 -0.219 8.656 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.668 0.564 10.839 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.059 -0.010 11.232 1.00 0.00 H new ATOM 619 N ALA A 43 -7.281 2.741 11.227 1.00 0.00 N ATOM 620 CA ALA A 43 -6.787 4.114 11.161 1.00 0.00 C ATOM 621 C ALA A 43 -5.368 4.203 11.722 1.00 0.00 C ATOM 622 O ALA A 43 -4.635 5.150 11.432 1.00 0.00 O ATOM 623 CB ALA A 43 -7.721 5.053 11.914 1.00 0.00 C ATOM 0 H ALA A 43 -7.771 2.513 12.092 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.761 4.420 10.115 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.338 6.072 11.855 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.715 5.012 11.468 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.779 4.748 12.959 1.00 0.00 H new ATOM 629 N GLU A 44 -4.984 3.205 12.524 1.00 0.00 N ATOM 630 CA GLU A 44 -3.651 3.163 13.121 1.00 0.00 C ATOM 631 C GLU A 44 -2.697 2.355 12.245 1.00 0.00 C ATOM 632 O GLU A 44 -3.004 1.226 11.856 1.00 0.00 O ATOM 633 CB GLU A 44 -3.709 2.567 14.536 1.00 0.00 C ATOM 634 CG GLU A 44 -4.331 1.177 14.604 1.00 0.00 C ATOM 635 CD GLU A 44 -5.826 1.218 14.861 1.00 0.00 C ATOM 636 OE1 GLU A 44 -6.224 1.207 16.042 1.00 0.00 O ATOM 637 OE2 GLU A 44 -6.597 1.262 13.878 1.00 0.00 O ATOM 0 H GLU A 44 -5.580 2.416 12.773 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.277 4.184 13.192 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.698 2.520 14.940 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.278 3.239 15.178 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.141 0.652 13.668 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.846 0.604 15.394 1.00 0.00 H new ATOM 644 N TYR A 45 -1.544 2.939 11.926 1.00 0.00 N ATOM 645 CA TYR A 45 -0.557 2.265 11.086 1.00 0.00 C ATOM 646 C TYR A 45 0.218 1.203 11.863 1.00 0.00 C ATOM 647 O TYR A 45 0.784 0.287 11.264 1.00 0.00 O ATOM 648 CB TYR A 45 0.417 3.272 10.478 1.00 0.00 C ATOM 649 CG TYR A 45 1.101 2.759 9.230 1.00 0.00 C ATOM 650 CD1 TYR A 45 0.418 2.675 8.025 1.00 0.00 C ATOM 651 CD2 TYR A 45 2.431 2.366 9.259 1.00 0.00 C ATOM 652 CE1 TYR A 45 1.042 2.213 6.881 1.00 0.00 C ATOM 653 CE2 TYR A 45 3.066 1.906 8.121 1.00 0.00 C ATOM 654 CZ TYR A 45 2.367 1.831 6.934 1.00 0.00 C ATOM 655 OH TYR A 45 3.001 1.375 5.796 1.00 0.00 O ATOM 0 H TYR A 45 -1.271 3.872 12.234 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.105 1.768 10.285 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.121 4.189 10.239 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.173 3.530 11.219 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.618 2.976 7.980 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.980 2.420 10.187 1.00 0.00 H new ATOM 0 HE1 TYR A 45 0.496 2.151 5.951 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.103 1.607 8.161 1.00 0.00 H new ATOM 0 HH TYR A 45 2.815 0.420 5.678 1.00 0.00 H new ATOM 665 N GLN A 46 0.239 1.320 13.194 1.00 0.00 N ATOM 666 CA GLN A 46 0.941 0.351 14.036 1.00 0.00 C ATOM 667 C GLN A 46 0.568 -1.075 13.635 1.00 0.00 C ATOM 668 O GLN A 46 1.415 -1.972 13.619 1.00 0.00 O ATOM 669 CB GLN A 46 0.604 0.578 15.513 1.00 0.00 C ATOM 670 CG GLN A 46 1.774 1.099 16.335 1.00 0.00 C ATOM 671 CD GLN A 46 2.295 0.076 17.331 1.00 0.00 C ATOM 672 OE1 GLN A 46 1.563 -0.815 17.764 1.00 0.00 O ATOM 673 NE2 GLN A 46 3.565 0.201 17.700 1.00 0.00 N ATOM 0 H GLN A 46 -0.220 2.072 13.708 1.00 0.00 H new ATOM 0 HA GLN A 46 2.012 0.491 13.893 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.222 1.286 15.583 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.257 -0.360 15.946 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.582 1.391 15.664 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.465 1.996 16.871 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.136 0.954 17.316 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.969 -0.456 18.367 1.00 0.00 H new ATOM 682 N HIS A 47 -0.708 -1.267 13.301 1.00 0.00 N ATOM 683 CA HIS A 47 -1.218 -2.570 12.884 1.00 0.00 C ATOM 684 C HIS A 47 -0.552 -3.042 11.595 1.00 0.00 C ATOM 685 O HIS A 47 -0.281 -4.234 11.432 1.00 0.00 O ATOM 686 CB HIS A 47 -2.732 -2.500 12.679 1.00 0.00 C ATOM 687 CG HIS A 47 -3.532 -2.852 13.895 1.00 0.00 C ATOM 688 ND1 HIS A 47 -2.980 -3.007 15.151 1.00 0.00 N ATOM 689 CD2 HIS A 47 -4.860 -3.076 14.039 1.00 0.00 C ATOM 690 CE1 HIS A 47 -3.934 -3.307 16.014 1.00 0.00 C ATOM 691 NE2 HIS A 47 -5.081 -3.356 15.365 1.00 0.00 N ATOM 0 H HIS A 47 -1.412 -0.529 13.312 1.00 0.00 H new ATOM 0 HA HIS A 47 -0.986 -3.285 13.673 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.998 -1.492 12.362 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.009 -3.173 11.868 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.605 -3.041 13.258 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.798 -3.482 17.071 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.988 -3.568 15.782 1.00 0.00 H new ATOM 700 N PHE A 48 -0.292 -2.107 10.676 1.00 0.00 N ATOM 701 CA PHE A 48 0.334 -2.447 9.405 1.00 0.00 C ATOM 702 C PHE A 48 1.791 -2.863 9.600 1.00 0.00 C ATOM 703 O PHE A 48 2.221 -3.895 9.082 1.00 0.00 O ATOM 704 CB PHE A 48 0.250 -1.268 8.433 1.00 0.00 C ATOM 705 CG PHE A 48 0.606 -1.645 7.026 1.00 0.00 C ATOM 706 CD1 PHE A 48 -0.321 -2.269 6.208 1.00 0.00 C ATOM 707 CD2 PHE A 48 1.873 -1.390 6.528 1.00 0.00 C ATOM 708 CE1 PHE A 48 0.010 -2.632 4.917 1.00 0.00 C ATOM 709 CE2 PHE A 48 2.208 -1.747 5.238 1.00 0.00 C ATOM 710 CZ PHE A 48 1.277 -2.369 4.431 1.00 0.00 C ATOM 0 H PHE A 48 -0.506 -1.116 10.792 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.209 -3.293 8.983 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.761 -0.861 8.450 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.918 -0.476 8.772 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.313 -2.474 6.583 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.607 -0.907 7.156 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.720 -3.120 4.288 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.198 -1.540 4.860 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.538 -2.650 3.421 1.00 0.00 H new ATOM 720 N ILE A 49 2.542 -2.058 10.348 1.00 0.00 N ATOM 721 CA ILE A 49 3.953 -2.342 10.615 1.00 0.00 C ATOM 722 C ILE A 49 4.122 -3.658 11.379 1.00 0.00 C ATOM 723 O ILE A 49 5.057 -4.420 11.119 1.00 0.00 O ATOM 724 CB ILE A 49 4.614 -1.201 11.421 1.00 0.00 C ATOM 725 CG1 ILE A 49 4.436 0.139 10.698 1.00 0.00 C ATOM 726 CG2 ILE A 49 6.092 -1.494 11.649 1.00 0.00 C ATOM 727 CD1 ILE A 49 5.056 1.312 11.428 1.00 0.00 C ATOM 0 H ILE A 49 2.197 -1.201 10.782 1.00 0.00 H new ATOM 0 HA ILE A 49 4.445 -2.426 9.646 1.00 0.00 H new ATOM 0 HB ILE A 49 4.123 -1.136 12.392 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.877 0.067 9.704 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.371 0.329 10.561 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.541 -0.680 12.218 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.197 -2.426 12.205 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.597 -1.586 10.688 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.890 2.225 10.857 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.598 1.411 12.412 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.127 1.145 11.542 1.00 0.00 H new ATOM 739 N GLN A 50 3.218 -3.911 12.323 1.00 0.00 N ATOM 740 CA GLN A 50 3.258 -5.124 13.137 1.00 0.00 C ATOM 741 C GLN A 50 2.982 -6.376 12.300 1.00 0.00 C ATOM 742 O GLN A 50 3.624 -7.410 12.489 1.00 0.00 O ATOM 743 CB GLN A 50 2.239 -5.020 14.275 1.00 0.00 C ATOM 744 CG GLN A 50 2.403 -6.077 15.354 1.00 0.00 C ATOM 745 CD GLN A 50 2.619 -5.476 16.730 1.00 0.00 C ATOM 746 OE1 GLN A 50 1.724 -5.493 17.574 1.00 0.00 O ATOM 747 NE2 GLN A 50 3.811 -4.936 16.963 1.00 0.00 N ATOM 0 H GLN A 50 2.443 -3.286 12.544 1.00 0.00 H new ATOM 0 HA GLN A 50 4.262 -5.216 13.551 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.321 -4.034 14.732 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.235 -5.096 13.857 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.517 -6.712 15.374 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.249 -6.718 15.104 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.525 -4.943 16.235 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.011 -4.514 17.870 1.00 0.00 H new ATOM 756 N GLN A 51 2.018 -6.278 11.387 1.00 0.00 N ATOM 757 CA GLN A 51 1.649 -7.407 10.533 1.00 0.00 C ATOM 758 C GLN A 51 2.635 -7.599 9.375 1.00 0.00 C ATOM 759 O GLN A 51 2.883 -8.730 8.952 1.00 0.00 O ATOM 760 CB GLN A 51 0.231 -7.214 9.987 1.00 0.00 C ATOM 761 CG GLN A 51 -0.836 -7.949 10.784 1.00 0.00 C ATOM 762 CD GLN A 51 -1.187 -7.245 12.083 1.00 0.00 C ATOM 763 OE1 GLN A 51 -2.155 -6.487 12.147 1.00 0.00 O ATOM 764 NE2 GLN A 51 -0.401 -7.490 13.128 1.00 0.00 N ATOM 0 H GLN A 51 1.478 -5.429 11.219 1.00 0.00 H new ATOM 0 HA GLN A 51 1.684 -8.306 11.148 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.004 -6.150 9.978 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.200 -7.556 8.953 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.735 -8.048 10.175 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.488 -8.958 11.005 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.391 -8.125 13.032 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.591 -7.043 14.025 1.00 0.00 H new ATOM 773 N CYS A 52 3.183 -6.496 8.859 1.00 0.00 N ATOM 774 CA CYS A 52 4.126 -6.550 7.740 1.00 0.00 C ATOM 775 C CYS A 52 5.516 -7.002 8.189 1.00 0.00 C ATOM 776 O CYS A 52 6.397 -6.178 8.445 1.00 0.00 O ATOM 777 CB CYS A 52 4.225 -5.186 7.049 1.00 0.00 C ATOM 778 SG CYS A 52 3.047 -4.953 5.697 1.00 0.00 S ATOM 0 H CYS A 52 2.989 -5.554 9.199 1.00 0.00 H new ATOM 0 HA CYS A 52 3.742 -7.286 7.033 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.069 -4.403 7.791 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.236 -5.060 6.661 1.00 0.00 H new ATOM 0 HG CYS A 52 2.589 -3.737 5.725 1.00 0.00 H new ATOM 784 N THR A 53 5.711 -8.316 8.259 1.00 0.00 N ATOM 785 CA THR A 53 7.000 -8.885 8.650 1.00 0.00 C ATOM 786 C THR A 53 7.916 -9.007 7.429 1.00 0.00 C ATOM 787 O THR A 53 7.472 -8.829 6.294 1.00 0.00 O ATOM 788 CB THR A 53 6.808 -10.255 9.312 1.00 0.00 C ATOM 789 OG1 THR A 53 6.019 -11.103 8.497 1.00 0.00 O ATOM 790 CG2 THR A 53 6.144 -10.179 10.671 1.00 0.00 C ATOM 0 H THR A 53 4.992 -9.009 8.050 1.00 0.00 H new ATOM 0 HA THR A 53 7.467 -8.217 9.374 1.00 0.00 H new ATOM 0 HB THR A 53 7.815 -10.654 9.439 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.470 -11.966 8.390 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.039 -11.183 11.082 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.755 -9.575 11.341 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.159 -9.724 10.570 1.00 0.00 H new ATOM 798 N ASP A 54 9.194 -9.309 7.664 1.00 0.00 N ATOM 799 CA ASP A 54 10.164 -9.445 6.572 1.00 0.00 C ATOM 800 C ASP A 54 10.129 -10.844 5.938 1.00 0.00 C ATOM 801 O ASP A 54 11.073 -11.242 5.253 1.00 0.00 O ATOM 802 CB ASP A 54 11.576 -9.134 7.080 1.00 0.00 C ATOM 803 CG ASP A 54 12.554 -8.845 5.952 1.00 0.00 C ATOM 804 OD1 ASP A 54 12.198 -8.076 5.034 1.00 0.00 O ATOM 805 OD2 ASP A 54 13.678 -9.390 5.991 1.00 0.00 O ATOM 0 H ASP A 54 9.582 -9.464 8.595 1.00 0.00 H new ATOM 0 HA ASP A 54 9.887 -8.728 5.799 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.536 -8.275 7.750 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.941 -9.978 7.665 1.00 0.00 H new ATOM 810 N ASP A 55 9.047 -11.588 6.168 1.00 0.00 N ATOM 811 CA ASP A 55 8.906 -12.927 5.621 1.00 0.00 C ATOM 812 C ASP A 55 7.520 -13.122 5.019 1.00 0.00 C ATOM 813 O ASP A 55 6.733 -13.932 5.507 1.00 0.00 O ATOM 814 CB ASP A 55 9.153 -13.959 6.719 1.00 0.00 C ATOM 815 CG ASP A 55 8.838 -13.432 8.109 1.00 0.00 C ATOM 816 OD1 ASP A 55 7.644 -13.384 8.471 1.00 0.00 O ATOM 817 OD2 ASP A 55 9.787 -13.063 8.832 1.00 0.00 O ATOM 0 H ASP A 55 8.255 -11.280 6.732 1.00 0.00 H new ATOM 0 HA ASP A 55 9.642 -13.060 4.829 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.544 -14.842 6.524 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.195 -14.277 6.684 1.00 0.00 H new ATOM 822 N VAL A 56 7.231 -12.371 3.955 1.00 0.00 N ATOM 823 CA VAL A 56 5.928 -12.447 3.276 1.00 0.00 C ATOM 824 C VAL A 56 5.763 -11.331 2.250 1.00 0.00 C ATOM 825 O VAL A 56 6.190 -10.200 2.479 1.00 0.00 O ATOM 826 CB VAL A 56 4.736 -12.349 4.264 1.00 0.00 C ATOM 827 CG1 VAL A 56 4.222 -13.731 4.643 1.00 0.00 C ATOM 828 CG2 VAL A 56 5.110 -11.545 5.504 1.00 0.00 C ATOM 0 H VAL A 56 7.880 -11.701 3.541 1.00 0.00 H new ATOM 0 HA VAL A 56 5.918 -13.421 2.787 1.00 0.00 H new ATOM 0 HB VAL A 56 3.929 -11.820 3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.387 -13.631 5.336 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.889 -14.254 3.746 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.022 -14.299 5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.254 -11.494 6.177 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.944 -12.028 6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.400 -10.536 5.210 1.00 0.00 H new ATOM 838 N ARG A 57 5.117 -11.650 1.130 1.00 0.00 N ATOM 839 CA ARG A 57 4.873 -10.668 0.077 1.00 0.00 C ATOM 840 C ARG A 57 3.379 -10.368 -0.044 1.00 0.00 C ATOM 841 O ARG A 57 2.566 -11.282 -0.201 1.00 0.00 O ATOM 842 CB ARG A 57 5.429 -11.166 -1.262 1.00 0.00 C ATOM 843 CG ARG A 57 4.755 -12.428 -1.781 1.00 0.00 C ATOM 844 CD ARG A 57 4.055 -12.178 -3.107 1.00 0.00 C ATOM 845 NE ARG A 57 2.888 -13.040 -3.288 1.00 0.00 N ATOM 846 CZ ARG A 57 1.921 -12.805 -4.178 1.00 0.00 C ATOM 847 NH1 ARG A 57 1.978 -11.739 -4.970 1.00 0.00 N ATOM 848 NH2 ARG A 57 0.892 -13.640 -4.276 1.00 0.00 N ATOM 0 H ARG A 57 4.753 -12.581 0.929 1.00 0.00 H new ATOM 0 HA ARG A 57 5.389 -9.745 0.344 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.320 -10.376 -2.005 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.497 -11.355 -1.152 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.499 -13.215 -1.903 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.032 -12.784 -1.047 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.745 -11.134 -3.161 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.758 -12.345 -3.924 1.00 0.00 H new ATOM 0 HE ARG A 57 2.808 -13.870 -2.700 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.765 -11.093 -4.900 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.235 -11.567 -5.647 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.841 -14.460 -3.671 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.153 -13.461 -4.956 1.00 0.00 H new ATOM 862 N LEU A 58 3.023 -9.087 0.037 1.00 0.00 N ATOM 863 CA LEU A 58 1.623 -8.671 -0.057 1.00 0.00 C ATOM 864 C LEU A 58 1.498 -7.240 -0.573 1.00 0.00 C ATOM 865 O LEU A 58 2.491 -6.525 -0.707 1.00 0.00 O ATOM 866 CB LEU A 58 0.943 -8.785 1.312 1.00 0.00 C ATOM 867 CG LEU A 58 1.646 -8.042 2.454 1.00 0.00 C ATOM 868 CD1 LEU A 58 1.075 -6.641 2.618 1.00 0.00 C ATOM 869 CD2 LEU A 58 1.524 -8.824 3.753 1.00 0.00 C ATOM 0 H LEU A 58 3.683 -8.320 0.167 1.00 0.00 H new ATOM 0 HA LEU A 58 1.129 -9.335 -0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.076 -8.407 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.870 -9.840 1.577 1.00 0.00 H new ATOM 0 HG LEU A 58 2.703 -7.952 2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.588 -6.132 3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.216 -6.080 1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.011 -6.706 2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.029 -8.282 4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.471 -8.947 4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.985 -9.804 3.632 1.00 0.00 H new ATOM 881 N PHE A 59 0.263 -6.829 -0.851 1.00 0.00 N ATOM 882 CA PHE A 59 -0.009 -5.482 -1.341 1.00 0.00 C ATOM 883 C PHE A 59 -0.613 -4.621 -0.234 1.00 0.00 C ATOM 884 O PHE A 59 -1.017 -5.132 0.813 1.00 0.00 O ATOM 885 CB PHE A 59 -0.950 -5.535 -2.547 1.00 0.00 C ATOM 886 CG PHE A 59 -0.398 -6.334 -3.694 1.00 0.00 C ATOM 887 CD1 PHE A 59 0.554 -5.788 -4.540 1.00 0.00 C ATOM 888 CD2 PHE A 59 -0.827 -7.631 -3.920 1.00 0.00 C ATOM 889 CE1 PHE A 59 1.068 -6.521 -5.591 1.00 0.00 C ATOM 890 CE2 PHE A 59 -0.315 -8.371 -4.970 1.00 0.00 C ATOM 891 CZ PHE A 59 0.633 -7.815 -5.807 1.00 0.00 C ATOM 0 H PHE A 59 -0.567 -7.412 -0.745 1.00 0.00 H new ATOM 0 HA PHE A 59 0.933 -5.031 -1.653 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.902 -5.966 -2.238 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.154 -4.519 -2.885 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.898 -4.778 -4.375 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.569 -8.069 -3.269 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.809 -6.084 -6.244 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.656 -9.382 -5.135 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.033 -8.390 -6.629 1.00 0.00 H new ATOM 901 N ALA A 60 -0.663 -3.310 -0.465 1.00 0.00 N ATOM 902 CA ALA A 60 -1.206 -2.381 0.519 1.00 0.00 C ATOM 903 C ALA A 60 -1.750 -1.116 -0.141 1.00 0.00 C ATOM 904 O ALA A 60 -1.325 -0.744 -1.237 1.00 0.00 O ATOM 905 CB ALA A 60 -0.136 -2.025 1.538 1.00 0.00 C ATOM 0 H ALA A 60 -0.334 -2.870 -1.324 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.038 -2.873 1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.548 -1.331 2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.200 -2.930 2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.709 -1.559 1.031 1.00 0.00 H new ATOM 911 N PHE A 61 -2.689 -0.458 0.537 1.00 0.00 N ATOM 912 CA PHE A 61 -3.293 0.768 0.025 1.00 0.00 C ATOM 913 C PHE A 61 -3.622 1.732 1.163 1.00 0.00 C ATOM 914 O PHE A 61 -4.414 1.410 2.051 1.00 0.00 O ATOM 915 CB PHE A 61 -4.559 0.445 -0.771 1.00 0.00 C ATOM 916 CG PHE A 61 -4.809 1.388 -1.915 1.00 0.00 C ATOM 917 CD1 PHE A 61 -4.235 1.159 -3.155 1.00 0.00 C ATOM 918 CD2 PHE A 61 -5.615 2.503 -1.750 1.00 0.00 C ATOM 919 CE1 PHE A 61 -4.461 2.024 -4.209 1.00 0.00 C ATOM 920 CE2 PHE A 61 -5.845 3.372 -2.801 1.00 0.00 C ATOM 921 CZ PHE A 61 -5.266 3.131 -4.032 1.00 0.00 C ATOM 0 H PHE A 61 -3.048 -0.755 1.444 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.572 1.250 -0.635 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.485 -0.571 -1.159 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.416 0.468 -0.098 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.604 0.295 -3.300 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.069 2.696 -0.789 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.008 1.834 -5.171 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.476 4.237 -2.660 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.443 3.808 -4.855 1.00 0.00 H new ATOM 931 N VAL A 62 -3.012 2.917 1.128 1.00 0.00 N ATOM 932 CA VAL A 62 -3.242 3.932 2.155 1.00 0.00 C ATOM 933 C VAL A 62 -3.611 5.274 1.524 1.00 0.00 C ATOM 934 O VAL A 62 -3.097 5.634 0.463 1.00 0.00 O ATOM 935 CB VAL A 62 -2.004 4.133 3.055 1.00 0.00 C ATOM 936 CG1 VAL A 62 -2.336 5.055 4.221 1.00 0.00 C ATOM 937 CG2 VAL A 62 -1.470 2.797 3.560 1.00 0.00 C ATOM 0 H VAL A 62 -2.355 3.197 0.400 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.068 3.570 2.768 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.223 4.601 2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.452 5.185 4.845 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.657 6.024 3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.138 4.616 4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.598 2.969 4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.243 2.291 4.139 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.186 2.174 2.711 1.00 0.00 H new ATOM 947 N ARG A 63 -4.500 6.011 2.187 1.00 0.00 N ATOM 948 CA ARG A 63 -4.932 7.317 1.698 1.00 0.00 C ATOM 949 C ARG A 63 -4.204 8.437 2.440 1.00 0.00 C ATOM 950 O ARG A 63 -4.500 8.718 3.602 1.00 0.00 O ATOM 951 CB ARG A 63 -6.448 7.472 1.857 1.00 0.00 C ATOM 952 CG ARG A 63 -7.251 6.352 1.207 1.00 0.00 C ATOM 953 CD ARG A 63 -7.008 6.290 -0.293 1.00 0.00 C ATOM 954 NE ARG A 63 -8.210 5.896 -1.028 1.00 0.00 N ATOM 955 CZ ARG A 63 -9.281 6.677 -1.182 1.00 0.00 C ATOM 956 NH1 ARG A 63 -9.308 7.895 -0.647 1.00 0.00 N ATOM 957 NH2 ARG A 63 -10.330 6.237 -1.868 1.00 0.00 N ATOM 0 H ARG A 63 -4.935 5.725 3.064 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.683 7.386 0.639 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.691 7.512 2.919 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.754 8.425 1.424 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.980 5.398 1.660 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.313 6.506 1.399 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.671 7.264 -0.646 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.207 5.581 -0.501 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.231 4.967 -1.449 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.507 8.236 -0.116 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.130 8.487 -0.768 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.317 5.303 -2.277 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.149 6.834 -1.986 1.00 0.00 H new ATOM 971 N PHE A 64 -3.242 9.064 1.762 1.00 0.00 N ATOM 972 CA PHE A 64 -2.462 10.146 2.359 1.00 0.00 C ATOM 973 C PHE A 64 -3.109 11.506 2.112 1.00 0.00 C ATOM 974 O PHE A 64 -3.828 11.694 1.131 1.00 0.00 O ATOM 975 CB PHE A 64 -1.036 10.145 1.802 1.00 0.00 C ATOM 976 CG PHE A 64 -0.115 9.192 2.509 1.00 0.00 C ATOM 977 CD1 PHE A 64 -0.055 7.859 2.136 1.00 0.00 C ATOM 978 CD2 PHE A 64 0.693 9.630 3.546 1.00 0.00 C ATOM 979 CE1 PHE A 64 0.793 6.981 2.784 1.00 0.00 C ATOM 980 CE2 PHE A 64 1.542 8.757 4.198 1.00 0.00 C ATOM 981 CZ PHE A 64 1.593 7.431 3.816 1.00 0.00 C ATOM 0 H PHE A 64 -2.985 8.841 0.800 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.432 9.973 3.435 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.069 9.888 0.743 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.627 11.153 1.873 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.678 7.502 1.329 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.659 10.666 3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.830 5.944 2.484 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.165 9.111 5.006 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.257 6.747 4.323 1.00 0.00 H new ATOM 991 N THR A 65 -2.837 12.451 3.009 1.00 0.00 N ATOM 992 CA THR A 65 -3.379 13.802 2.898 1.00 0.00 C ATOM 993 C THR A 65 -2.292 14.834 3.191 1.00 0.00 C ATOM 994 O THR A 65 -1.937 15.067 4.348 1.00 0.00 O ATOM 995 CB THR A 65 -4.564 13.996 3.853 1.00 0.00 C ATOM 996 OG1 THR A 65 -4.667 12.916 4.769 1.00 0.00 O ATOM 997 CG2 THR A 65 -5.893 14.120 3.134 1.00 0.00 C ATOM 0 H THR A 65 -2.242 12.304 3.824 1.00 0.00 H new ATOM 0 HA THR A 65 -3.735 13.943 1.878 1.00 0.00 H new ATOM 0 HB THR A 65 -4.359 14.930 4.377 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.429 13.066 5.367 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.691 14.255 3.864 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.865 14.979 2.464 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.080 13.215 2.556 1.00 0.00 H new ATOM 1122 N SER A 74 -6.054 15.056 -0.664 1.00 0.00 N ATOM 1123 CA SER A 74 -5.723 13.654 -0.451 1.00 0.00 C ATOM 1124 C SER A 74 -5.082 13.039 -1.696 1.00 0.00 C ATOM 1125 O SER A 74 -5.209 13.573 -2.801 1.00 0.00 O ATOM 1126 CB SER A 74 -6.985 12.880 -0.057 1.00 0.00 C ATOM 1127 OG SER A 74 -7.608 12.283 -1.182 1.00 0.00 O ATOM 0 HA SER A 74 -4.996 13.590 0.358 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.727 12.108 0.668 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.687 13.555 0.432 1.00 0.00 H new ATOM 0 HG SER A 74 -8.408 11.797 -0.893 1.00 0.00 H new ATOM 1133 N LYS A 75 -4.393 11.914 -1.507 1.00 0.00 N ATOM 1134 CA LYS A 75 -3.730 11.219 -2.606 1.00 0.00 C ATOM 1135 C LYS A 75 -3.818 9.705 -2.429 1.00 0.00 C ATOM 1136 O LYS A 75 -3.859 9.204 -1.301 1.00 0.00 O ATOM 1137 CB LYS A 75 -2.262 11.650 -2.699 1.00 0.00 C ATOM 1138 CG LYS A 75 -2.034 12.848 -3.608 1.00 0.00 C ATOM 1139 CD LYS A 75 -0.970 13.781 -3.050 1.00 0.00 C ATOM 1140 CE LYS A 75 0.429 13.355 -3.473 1.00 0.00 C ATOM 1141 NZ LYS A 75 1.348 14.520 -3.621 1.00 0.00 N ATOM 0 H LYS A 75 -4.280 11.464 -0.598 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.240 11.487 -3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.898 11.889 -1.700 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.668 10.811 -3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.733 12.503 -4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.969 13.394 -3.732 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.161 14.798 -3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.033 13.796 -1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.836 12.664 -2.735 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.373 12.815 -4.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.333 14.200 -3.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.216 14.949 -4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.137 15.224 -2.885 1.00 0.00 H new ATOM 1155 N PHE A 76 -3.841 8.981 -3.547 1.00 0.00 N ATOM 1156 CA PHE A 76 -3.919 7.521 -3.519 1.00 0.00 C ATOM 1157 C PHE A 76 -2.573 6.909 -3.893 1.00 0.00 C ATOM 1158 O PHE A 76 -2.070 7.123 -4.997 1.00 0.00 O ATOM 1159 CB PHE A 76 -5.002 7.011 -4.477 1.00 0.00 C ATOM 1160 CG PHE A 76 -6.261 7.834 -4.482 1.00 0.00 C ATOM 1161 CD1 PHE A 76 -6.810 8.299 -3.298 1.00 0.00 C ATOM 1162 CD2 PHE A 76 -6.895 8.139 -5.676 1.00 0.00 C ATOM 1163 CE1 PHE A 76 -7.968 9.054 -3.305 1.00 0.00 C ATOM 1164 CE2 PHE A 76 -8.053 8.892 -5.689 1.00 0.00 C ATOM 1165 CZ PHE A 76 -8.590 9.351 -4.502 1.00 0.00 C ATOM 0 H PHE A 76 -3.807 9.382 -4.484 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.181 7.219 -2.505 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.594 6.986 -5.488 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.254 5.985 -4.209 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.328 8.069 -2.359 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.479 7.784 -6.607 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.386 9.411 -2.375 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.538 9.122 -6.626 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.495 9.941 -4.510 1.00 0.00 H new ATOM 1175 N ALA A 77 -1.992 6.149 -2.966 1.00 0.00 N ATOM 1176 CA ALA A 77 -0.702 5.510 -3.202 1.00 0.00 C ATOM 1177 C ALA A 77 -0.752 4.022 -2.866 1.00 0.00 C ATOM 1178 O ALA A 77 -1.008 3.641 -1.721 1.00 0.00 O ATOM 1179 CB ALA A 77 0.384 6.203 -2.393 1.00 0.00 C ATOM 0 H ALA A 77 -2.394 5.962 -2.047 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.466 5.604 -4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.342 5.717 -2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.446 7.250 -2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.144 6.139 -1.332 1.00 0.00 H new ATOM 1185 N LEU A 78 -0.494 3.189 -3.871 1.00 0.00 N ATOM 1186 CA LEU A 78 -0.495 1.739 -3.691 1.00 0.00 C ATOM 1187 C LEU A 78 0.934 1.230 -3.530 1.00 0.00 C ATOM 1188 O LEU A 78 1.794 1.490 -4.374 1.00 0.00 O ATOM 1189 CB LEU A 78 -1.182 1.047 -4.874 1.00 0.00 C ATOM 1190 CG LEU A 78 -0.635 1.413 -6.257 1.00 0.00 C ATOM 1191 CD1 LEU A 78 -0.452 0.164 -7.107 1.00 0.00 C ATOM 1192 CD2 LEU A 78 -1.558 2.402 -6.955 1.00 0.00 C ATOM 0 H LEU A 78 -0.281 3.494 -4.821 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.056 1.501 -2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.096 -0.032 -4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.245 1.288 -4.847 1.00 0.00 H new ATOM 0 HG LEU A 78 0.338 1.886 -6.125 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.063 0.444 -8.086 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.250 -0.510 -6.617 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.412 -0.337 -7.228 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.152 2.649 -7.936 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.546 1.957 -7.073 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.638 3.309 -6.356 1.00 0.00 H new ATOM 1204 N ILE A 79 1.188 0.521 -2.434 1.00 0.00 N ATOM 1205 CA ILE A 79 2.523 -0.002 -2.156 1.00 0.00 C ATOM 1206 C ILE A 79 2.538 -1.527 -2.136 1.00 0.00 C ATOM 1207 O ILE A 79 1.577 -2.163 -1.703 1.00 0.00 O ATOM 1208 CB ILE A 79 3.072 0.520 -0.808 1.00 0.00 C ATOM 1209 CG1 ILE A 79 2.434 1.867 -0.440 1.00 0.00 C ATOM 1210 CG2 ILE A 79 4.588 0.646 -0.867 1.00 0.00 C ATOM 1211 CD1 ILE A 79 2.766 2.332 0.961 1.00 0.00 C ATOM 0 H ILE A 79 0.490 0.296 -1.725 1.00 0.00 H new ATOM 0 HA ILE A 79 3.162 0.352 -2.965 1.00 0.00 H new ATOM 0 HB ILE A 79 2.812 -0.200 -0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.765 2.623 -1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.352 1.786 -0.540 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.960 1.015 0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.026 -0.330 -1.075 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.865 1.344 -1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.281 3.290 1.151 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.411 1.596 1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.845 2.446 1.060 1.00 0.00 H new ATOM 1223 N THR A 80 3.648 -2.103 -2.595 1.00 0.00 N ATOM 1224 CA THR A 80 3.810 -3.553 -2.623 1.00 0.00 C ATOM 1225 C THR A 80 4.889 -3.984 -1.634 1.00 0.00 C ATOM 1226 O THR A 80 6.066 -3.661 -1.808 1.00 0.00 O ATOM 1227 CB THR A 80 4.182 -4.032 -4.030 1.00 0.00 C ATOM 1228 OG1 THR A 80 3.282 -3.518 -4.996 1.00 0.00 O ATOM 1229 CG2 THR A 80 4.191 -5.541 -4.164 1.00 0.00 C ATOM 0 H THR A 80 4.450 -1.584 -2.953 1.00 0.00 H new ATOM 0 HA THR A 80 2.860 -4.005 -2.339 1.00 0.00 H new ATOM 0 HB THR A 80 5.192 -3.661 -4.202 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.541 -3.836 -5.886 1.00 0.00 H new ATOM 0 HG21 THR A 80 4.462 -5.814 -5.184 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.918 -5.964 -3.470 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.200 -5.933 -3.935 1.00 0.00 H new ATOM 1237 N TRP A 81 4.487 -4.719 -0.601 1.00 0.00 N ATOM 1238 CA TRP A 81 5.426 -5.196 0.407 1.00 0.00 C ATOM 1239 C TRP A 81 5.948 -6.582 0.039 1.00 0.00 C ATOM 1240 O TRP A 81 5.179 -7.456 -0.364 1.00 0.00 O ATOM 1241 CB TRP A 81 4.762 -5.234 1.787 1.00 0.00 C ATOM 1242 CG TRP A 81 5.618 -5.870 2.842 1.00 0.00 C ATOM 1243 CD1 TRP A 81 5.304 -6.953 3.611 1.00 0.00 C ATOM 1244 CD2 TRP A 81 6.934 -5.463 3.239 1.00 0.00 C ATOM 1245 NE1 TRP A 81 6.341 -7.242 4.464 1.00 0.00 N ATOM 1246 CE2 TRP A 81 7.354 -6.343 4.252 1.00 0.00 C ATOM 1247 CE3 TRP A 81 7.796 -4.442 2.832 1.00 0.00 C ATOM 1248 CZ2 TRP A 81 8.599 -6.229 4.867 1.00 0.00 C ATOM 1249 CZ3 TRP A 81 9.030 -4.331 3.443 1.00 0.00 C ATOM 1250 CH2 TRP A 81 9.421 -5.220 4.449 1.00 0.00 C ATOM 0 H TRP A 81 3.519 -4.996 -0.441 1.00 0.00 H new ATOM 0 HA TRP A 81 6.267 -4.503 0.443 1.00 0.00 H new ATOM 0 HB2 TRP A 81 4.517 -4.217 2.093 1.00 0.00 H new ATOM 0 HB3 TRP A 81 3.821 -5.780 1.715 1.00 0.00 H new ATOM 0 HD1 TRP A 81 4.376 -7.502 3.557 1.00 0.00 H new ATOM 0 HE1 TRP A 81 6.355 -8.002 5.144 1.00 0.00 H new ATOM 0 HE3 TRP A 81 7.503 -3.752 2.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 8.903 -6.913 5.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 9.704 -3.544 3.138 1.00 0.00 H new ATOM 0 HH2 TRP A 81 10.393 -5.107 4.906 1.00 0.00 H new ATOM 1261 N ILE A 82 7.256 -6.779 0.182 1.00 0.00 N ATOM 1262 CA ILE A 82 7.870 -8.063 -0.137 1.00 0.00 C ATOM 1263 C ILE A 82 8.912 -8.452 0.912 1.00 0.00 C ATOM 1264 O ILE A 82 10.094 -8.126 0.778 1.00 0.00 O ATOM 1265 CB ILE A 82 8.532 -8.050 -1.535 1.00 0.00 C ATOM 1266 CG1 ILE A 82 7.562 -7.502 -2.586 1.00 0.00 C ATOM 1267 CG2 ILE A 82 8.992 -9.450 -1.917 1.00 0.00 C ATOM 1268 CD1 ILE A 82 8.180 -7.348 -3.959 1.00 0.00 C ATOM 0 H ILE A 82 7.908 -6.069 0.515 1.00 0.00 H new ATOM 0 HA ILE A 82 7.068 -8.802 -0.138 1.00 0.00 H new ATOM 0 HB ILE A 82 9.403 -7.396 -1.497 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.702 -8.168 -2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.189 -6.533 -2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.456 -9.424 -2.903 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.716 -9.808 -1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 82 8.134 -10.122 -1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.435 -6.955 -4.651 1.00 0.00 H new ATOM 0 HD12 ILE A 82 9.023 -6.659 -3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.528 -8.319 -4.312 1.00 0.00 H new ATOM 1280 N GLY A 83 8.465 -9.161 1.947 1.00 0.00 N ATOM 1281 CA GLY A 83 9.367 -9.599 2.999 1.00 0.00 C ATOM 1282 C GLY A 83 10.452 -10.511 2.462 1.00 0.00 C ATOM 1283 O GLY A 83 10.152 -11.588 1.940 1.00 0.00 O ATOM 0 H GLY A 83 7.492 -9.440 2.075 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.823 -8.730 3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.801 -10.121 3.770 1.00 0.00 H new ATOM 1287 N GLU A 84 11.703 -10.053 2.574 1.00 0.00 N ATOM 1288 CA GLU A 84 12.886 -10.778 2.085 1.00 0.00 C ATOM 1289 C GLU A 84 12.738 -12.295 2.085 1.00 0.00 C ATOM 1290 O GLU A 84 13.197 -12.957 1.152 1.00 0.00 O ATOM 1291 CB GLU A 84 14.107 -10.432 2.919 1.00 0.00 C ATOM 1292 CG GLU A 84 14.680 -9.053 2.636 1.00 0.00 C ATOM 1293 CD GLU A 84 16.196 -9.033 2.677 1.00 0.00 C ATOM 1294 OE1 GLU A 84 16.822 -9.547 1.727 1.00 0.00 O ATOM 1295 OE2 GLU A 84 16.757 -8.503 3.659 1.00 0.00 O ATOM 0 H GLU A 84 11.928 -9.159 3.011 1.00 0.00 H new ATOM 0 HA GLU A 84 13.000 -10.456 1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.842 -10.494 3.975 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.880 -11.179 2.739 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.342 -8.717 1.656 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.291 -8.345 3.367 1.00 0.00 H new ATOM 1302 N ASN A 85 12.121 -12.854 3.125 1.00 0.00 N ATOM 1303 CA ASN A 85 11.949 -14.306 3.221 1.00 0.00 C ATOM 1304 C ASN A 85 10.905 -14.825 2.233 1.00 0.00 C ATOM 1305 O ASN A 85 10.100 -15.701 2.558 1.00 0.00 O ATOM 1306 CB ASN A 85 11.579 -14.704 4.647 1.00 0.00 C ATOM 1307 CG ASN A 85 12.801 -14.917 5.507 1.00 0.00 C ATOM 1308 OD1 ASN A 85 13.050 -16.020 5.994 1.00 0.00 O ATOM 1309 ND2 ASN A 85 13.571 -13.854 5.705 1.00 0.00 N ATOM 0 H ASN A 85 11.734 -12.329 3.909 1.00 0.00 H new ATOM 0 HA ASN A 85 12.902 -14.766 2.959 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.954 -13.928 5.090 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.986 -15.618 4.626 1.00 0.00 H new ATOM 0 HD21 ASN A 85 14.409 -13.932 6.281 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.325 -12.960 5.281 1.00 0.00 H new ATOM 1316 N VAL A 86 10.942 -14.292 1.017 1.00 0.00 N ATOM 1317 CA VAL A 86 10.024 -14.704 -0.038 1.00 0.00 C ATOM 1318 C VAL A 86 10.767 -15.532 -1.088 1.00 0.00 C ATOM 1319 O VAL A 86 11.752 -15.073 -1.668 1.00 0.00 O ATOM 1320 CB VAL A 86 9.357 -13.481 -0.713 1.00 0.00 C ATOM 1321 CG1 VAL A 86 8.746 -13.860 -2.056 1.00 0.00 C ATOM 1322 CG2 VAL A 86 8.301 -12.873 0.200 1.00 0.00 C ATOM 0 H VAL A 86 11.603 -13.568 0.736 1.00 0.00 H new ATOM 0 HA VAL A 86 9.242 -15.311 0.418 1.00 0.00 H new ATOM 0 HB VAL A 86 10.131 -12.735 -0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 86 8.285 -12.981 -2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.526 -14.240 -2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 86 7.990 -14.631 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.844 -12.015 -0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.535 -13.617 0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.767 -12.551 1.131 1.00 0.00 H new ATOM 1332 N SER A 87 10.297 -16.756 -1.320 1.00 0.00 N ATOM 1333 CA SER A 87 10.927 -17.646 -2.292 1.00 0.00 C ATOM 1334 C SER A 87 10.655 -17.189 -3.724 1.00 0.00 C ATOM 1335 O SER A 87 9.768 -16.368 -3.968 1.00 0.00 O ATOM 1336 CB SER A 87 10.439 -19.083 -2.094 1.00 0.00 C ATOM 1337 OG SER A 87 11.229 -19.761 -1.130 1.00 0.00 O ATOM 0 H SER A 87 9.484 -17.153 -0.849 1.00 0.00 H new ATOM 0 HA SER A 87 12.004 -17.611 -2.127 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.397 -19.076 -1.775 1.00 0.00 H new ATOM 0 HB3 SER A 87 10.478 -19.618 -3.043 1.00 0.00 H new ATOM 0 HG SER A 87 10.897 -20.676 -1.020 1.00 0.00 H new ATOM 1343 N GLY A 88 11.434 -17.726 -4.668 1.00 0.00 N ATOM 1344 CA GLY A 88 11.279 -17.371 -6.072 1.00 0.00 C ATOM 1345 C GLY A 88 9.851 -17.519 -6.568 1.00 0.00 C ATOM 1346 O GLY A 88 9.342 -16.642 -7.267 1.00 0.00 O ATOM 0 H GLY A 88 12.173 -18.404 -4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.604 -16.341 -6.218 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.934 -18.000 -6.675 1.00 0.00 H new ATOM 1350 N LEU A 89 9.203 -18.628 -6.205 1.00 0.00 N ATOM 1351 CA LEU A 89 7.822 -18.884 -6.614 1.00 0.00 C ATOM 1352 C LEU A 89 6.904 -17.742 -6.179 1.00 0.00 C ATOM 1353 O LEU A 89 6.114 -17.233 -6.976 1.00 0.00 O ATOM 1354 CB LEU A 89 7.327 -20.207 -6.025 1.00 0.00 C ATOM 1355 CG LEU A 89 7.598 -21.445 -6.885 1.00 0.00 C ATOM 1356 CD1 LEU A 89 8.282 -22.527 -6.064 1.00 0.00 C ATOM 1357 CD2 LEU A 89 6.303 -21.972 -7.484 1.00 0.00 C ATOM 0 H LEU A 89 9.613 -19.363 -5.629 1.00 0.00 H new ATOM 0 HA LEU A 89 7.799 -18.950 -7.702 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.796 -20.351 -5.051 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.253 -20.131 -5.854 1.00 0.00 H new ATOM 0 HG LEU A 89 8.264 -21.158 -7.699 1.00 0.00 H new ATOM 0 HD11 LEU A 89 8.466 -23.399 -6.692 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.230 -22.149 -5.681 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.641 -22.810 -5.229 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.515 -22.852 -8.092 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.615 -22.242 -6.683 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.850 -21.201 -8.107 1.00 0.00 H new ATOM 1369 N GLN A 90 7.025 -17.336 -4.913 1.00 0.00 N ATOM 1370 CA GLN A 90 6.217 -16.244 -4.375 1.00 0.00 C ATOM 1371 C GLN A 90 6.616 -14.915 -5.019 1.00 0.00 C ATOM 1372 O GLN A 90 5.769 -14.052 -5.255 1.00 0.00 O ATOM 1373 CB GLN A 90 6.379 -16.158 -2.855 1.00 0.00 C ATOM 1374 CG GLN A 90 5.371 -16.997 -2.084 1.00 0.00 C ATOM 1375 CD GLN A 90 5.794 -18.449 -1.960 1.00 0.00 C ATOM 1376 OE1 GLN A 90 6.420 -18.841 -0.976 1.00 0.00 O ATOM 1377 NE2 GLN A 90 5.456 -19.255 -2.961 1.00 0.00 N ATOM 0 H GLN A 90 7.675 -17.748 -4.243 1.00 0.00 H new ATOM 0 HA GLN A 90 5.171 -16.446 -4.607 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.386 -16.479 -2.587 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.283 -15.117 -2.547 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.239 -16.575 -1.088 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.403 -16.946 -2.583 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.936 -18.888 -3.758 1.00 0.00 H new ATOM 0 HE22 GLN A 90 5.716 -20.241 -2.932 1.00 0.00 H new ATOM 1386 N ARG A 91 7.911 -14.766 -5.313 1.00 0.00 N ATOM 1387 CA ARG A 91 8.428 -13.555 -5.945 1.00 0.00 C ATOM 1388 C ARG A 91 7.769 -13.342 -7.308 1.00 0.00 C ATOM 1389 O ARG A 91 7.347 -12.232 -7.636 1.00 0.00 O ATOM 1390 CB ARG A 91 9.950 -13.646 -6.108 1.00 0.00 C ATOM 1391 CG ARG A 91 10.721 -12.662 -5.240 1.00 0.00 C ATOM 1392 CD ARG A 91 10.766 -11.275 -5.863 1.00 0.00 C ATOM 1393 NE ARG A 91 11.880 -11.126 -6.802 1.00 0.00 N ATOM 1394 CZ ARG A 91 13.151 -10.939 -6.433 1.00 0.00 C ATOM 1395 NH1 ARG A 91 13.482 -10.898 -5.145 1.00 0.00 N ATOM 1396 NH2 ARG A 91 14.095 -10.798 -7.359 1.00 0.00 N ATOM 0 H ARG A 91 8.620 -15.473 -5.121 1.00 0.00 H new ATOM 0 HA ARG A 91 8.193 -12.705 -5.304 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.272 -14.659 -5.866 1.00 0.00 H new ATOM 0 HB3 ARG A 91 10.205 -13.471 -7.153 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.256 -12.604 -4.256 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.737 -13.027 -5.091 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.827 -11.081 -6.382 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.855 -10.527 -5.075 1.00 0.00 H new ATOM 0 HE ARG A 91 11.673 -11.168 -7.800 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.763 -11.010 -4.430 1.00 0.00 H new ATOM 0 HH12 ARG A 91 14.454 -10.755 -4.873 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.848 -10.833 -8.348 1.00 0.00 H new ATOM 0 HH22 ARG A 91 15.066 -10.655 -7.080 1.00 0.00 H new ATOM 1410 N ALA A 92 7.677 -14.421 -8.092 1.00 0.00 N ATOM 1411 CA ALA A 92 7.057 -14.364 -9.416 1.00 0.00 C ATOM 1412 C ALA A 92 5.583 -13.976 -9.308 1.00 0.00 C ATOM 1413 O ALA A 92 5.064 -13.224 -10.138 1.00 0.00 O ATOM 1414 CB ALA A 92 7.206 -15.701 -10.128 1.00 0.00 C ATOM 0 H ALA A 92 8.025 -15.344 -7.831 1.00 0.00 H new ATOM 0 HA ALA A 92 7.568 -13.599 -10.001 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.740 -15.643 -11.112 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.264 -15.937 -10.241 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.721 -16.481 -9.542 1.00 0.00 H new ATOM 1420 N LYS A 93 4.918 -14.489 -8.267 1.00 0.00 N ATOM 1421 CA LYS A 93 3.507 -14.196 -8.029 1.00 0.00 C ATOM 1422 C LYS A 93 3.261 -12.686 -8.003 1.00 0.00 C ATOM 1423 O LYS A 93 2.264 -12.206 -8.543 1.00 0.00 O ATOM 1424 CB LYS A 93 3.050 -14.825 -6.709 1.00 0.00 C ATOM 1425 CG LYS A 93 2.530 -16.247 -6.857 1.00 0.00 C ATOM 1426 CD LYS A 93 1.760 -16.697 -5.623 1.00 0.00 C ATOM 1427 CE LYS A 93 0.643 -17.667 -5.982 1.00 0.00 C ATOM 1428 NZ LYS A 93 -0.616 -17.376 -5.238 1.00 0.00 N ATOM 0 H LYS A 93 5.339 -15.110 -7.576 1.00 0.00 H new ATOM 0 HA LYS A 93 2.928 -14.625 -8.847 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.885 -14.824 -6.008 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.267 -14.205 -6.273 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.883 -16.309 -7.732 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.366 -16.924 -7.031 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.444 -17.173 -4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.339 -15.827 -5.119 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.450 -17.616 -7.054 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.965 -18.685 -5.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.388 -17.958 -5.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.483 -17.597 -4.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.856 -16.370 -5.343 1.00 0.00 H new ATOM 1442 N THR A 94 4.180 -11.945 -7.375 1.00 0.00 N ATOM 1443 CA THR A 94 4.070 -10.488 -7.281 1.00 0.00 C ATOM 1444 C THR A 94 3.959 -9.852 -8.667 1.00 0.00 C ATOM 1445 O THR A 94 3.163 -8.934 -8.870 1.00 0.00 O ATOM 1446 CB THR A 94 5.276 -9.905 -6.533 1.00 0.00 C ATOM 1447 OG1 THR A 94 5.537 -10.642 -5.348 1.00 0.00 O ATOM 1448 CG2 THR A 94 5.101 -8.449 -6.145 1.00 0.00 C ATOM 0 H THR A 94 5.009 -12.332 -6.924 1.00 0.00 H new ATOM 0 HA THR A 94 3.161 -10.259 -6.724 1.00 0.00 H new ATOM 0 HB THR A 94 6.109 -9.975 -7.233 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.310 -10.256 -4.886 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.991 -8.103 -5.620 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.953 -7.849 -7.043 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.233 -8.348 -5.493 1.00 0.00 H new ATOM 1456 N GLY A 95 4.755 -10.344 -9.618 1.00 0.00 N ATOM 1457 CA GLY A 95 4.721 -9.811 -10.970 1.00 0.00 C ATOM 1458 C GLY A 95 3.368 -9.993 -11.636 1.00 0.00 C ATOM 1459 O GLY A 95 2.850 -9.066 -12.258 1.00 0.00 O ATOM 0 H GLY A 95 5.422 -11.102 -9.474 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.969 -8.750 -10.945 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.486 -10.303 -11.570 1.00 0.00 H new ATOM 1463 N THR A 96 2.793 -11.191 -11.503 1.00 0.00 N ATOM 1464 CA THR A 96 1.490 -11.486 -12.099 1.00 0.00 C ATOM 1465 C THR A 96 0.363 -10.778 -11.346 1.00 0.00 C ATOM 1466 O THR A 96 -0.517 -10.170 -11.962 1.00 0.00 O ATOM 1467 CB THR A 96 1.234 -12.997 -12.115 1.00 0.00 C ATOM 1468 OG1 THR A 96 1.830 -13.626 -10.993 1.00 0.00 O ATOM 1469 CG2 THR A 96 1.761 -13.684 -13.358 1.00 0.00 C ATOM 0 H THR A 96 3.208 -11.969 -10.990 1.00 0.00 H new ATOM 0 HA THR A 96 1.505 -11.116 -13.124 1.00 0.00 H new ATOM 0 HB THR A 96 0.149 -13.100 -12.093 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.766 -13.035 -10.214 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.546 -14.751 -13.303 1.00 0.00 H new ATOM 0 HG22 THR A 96 1.279 -13.261 -14.239 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.838 -13.534 -13.427 1.00 0.00 H new ATOM 1477 N ASP A 97 0.392 -10.860 -10.014 1.00 0.00 N ATOM 1478 CA ASP A 97 -0.632 -10.232 -9.180 1.00 0.00 C ATOM 1479 C ASP A 97 -0.611 -8.712 -9.320 1.00 0.00 C ATOM 1480 O ASP A 97 -1.663 -8.070 -9.285 1.00 0.00 O ATOM 1481 CB ASP A 97 -0.452 -10.629 -7.712 1.00 0.00 C ATOM 1482 CG ASP A 97 -0.920 -12.047 -7.432 1.00 0.00 C ATOM 1483 OD1 ASP A 97 -2.086 -12.364 -7.752 1.00 0.00 O ATOM 1484 OD2 ASP A 97 -0.120 -12.841 -6.891 1.00 0.00 O ATOM 0 H ASP A 97 1.114 -11.355 -9.491 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.602 -10.590 -9.526 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.599 -10.536 -7.440 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -1.007 -9.935 -7.081 1.00 0.00 H new ATOM 1489 N LYS A 98 0.582 -8.138 -9.491 1.00 0.00 N ATOM 1490 CA LYS A 98 0.719 -6.691 -9.654 1.00 0.00 C ATOM 1491 C LYS A 98 -0.138 -6.207 -10.821 1.00 0.00 C ATOM 1492 O LYS A 98 -0.730 -5.127 -10.766 1.00 0.00 O ATOM 1493 CB LYS A 98 2.185 -6.311 -9.887 1.00 0.00 C ATOM 1494 CG LYS A 98 2.414 -4.813 -10.028 1.00 0.00 C ATOM 1495 CD LYS A 98 3.895 -4.480 -10.122 1.00 0.00 C ATOM 1496 CE LYS A 98 4.452 -4.020 -8.782 1.00 0.00 C ATOM 1497 NZ LYS A 98 5.873 -3.585 -8.884 1.00 0.00 N ATOM 0 H LYS A 98 1.463 -8.651 -9.520 1.00 0.00 H new ATOM 0 HA LYS A 98 0.376 -6.209 -8.739 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.784 -6.685 -9.057 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.542 -6.810 -10.788 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.901 -4.448 -10.918 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.978 -4.296 -9.174 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.445 -5.357 -10.463 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.046 -3.699 -10.867 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.848 -3.196 -8.403 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.373 -4.832 -8.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.452 -4.129 -8.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.218 -3.750 -9.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.943 -2.572 -8.660 1.00 0.00 H new ATOM 1511 N THR A 99 -0.210 -7.027 -11.870 1.00 0.00 N ATOM 1512 CA THR A 99 -1.003 -6.705 -13.051 1.00 0.00 C ATOM 1513 C THR A 99 -2.493 -6.846 -12.743 1.00 0.00 C ATOM 1514 O THR A 99 -3.301 -6.007 -13.146 1.00 0.00 O ATOM 1515 CB THR A 99 -0.615 -7.623 -14.214 1.00 0.00 C ATOM 1516 OG1 THR A 99 0.789 -7.625 -14.403 1.00 0.00 O ATOM 1517 CG2 THR A 99 -1.253 -7.239 -15.533 1.00 0.00 C ATOM 0 H THR A 99 0.275 -7.923 -11.923 1.00 0.00 H new ATOM 0 HA THR A 99 -0.801 -5.672 -13.336 1.00 0.00 H new ATOM 0 HB THR A 99 -0.982 -8.609 -13.930 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.216 -8.126 -13.677 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.932 -7.934 -16.309 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.338 -7.278 -15.437 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.949 -6.228 -15.803 1.00 0.00 H new ATOM 1525 N LEU A 100 -2.843 -7.911 -12.019 1.00 0.00 N ATOM 1526 CA LEU A 100 -4.226 -8.174 -11.642 1.00 0.00 C ATOM 1527 C LEU A 100 -4.795 -7.024 -10.808 1.00 0.00 C ATOM 1528 O LEU A 100 -5.886 -6.525 -11.088 1.00 0.00 O ATOM 1529 CB LEU A 100 -4.312 -9.484 -10.855 1.00 0.00 C ATOM 1530 CG LEU A 100 -4.032 -10.750 -11.669 1.00 0.00 C ATOM 1531 CD1 LEU A 100 -3.413 -11.829 -10.793 1.00 0.00 C ATOM 1532 CD2 LEU A 100 -5.311 -11.262 -12.315 1.00 0.00 C ATOM 0 H LEU A 100 -2.179 -8.608 -11.682 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.819 -8.261 -12.553 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.605 -9.439 -10.027 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.308 -9.564 -10.420 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.321 -10.498 -12.456 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.223 -12.719 -11.392 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.474 -11.465 -10.376 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.098 -12.077 -9.982 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.093 -12.162 -12.890 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.042 -11.494 -11.541 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.715 -10.497 -12.978 1.00 0.00 H new ATOM 1544 N VAL A 101 -4.045 -6.608 -9.787 1.00 0.00 N ATOM 1545 CA VAL A 101 -4.468 -5.514 -8.915 1.00 0.00 C ATOM 1546 C VAL A 101 -4.607 -4.209 -9.704 1.00 0.00 C ATOM 1547 O VAL A 101 -5.606 -3.500 -9.570 1.00 0.00 O ATOM 1548 CB VAL A 101 -3.480 -5.306 -7.744 1.00 0.00 C ATOM 1549 CG1 VAL A 101 -3.977 -4.218 -6.804 1.00 0.00 C ATOM 1550 CG2 VAL A 101 -3.264 -6.609 -6.983 1.00 0.00 C ATOM 0 H VAL A 101 -3.141 -7.013 -9.544 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.439 -5.790 -8.504 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.524 -4.988 -8.161 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.266 -4.089 -5.988 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.074 -3.281 -7.352 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.947 -4.503 -6.398 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.566 -6.440 -6.163 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.216 -6.959 -6.583 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.856 -7.361 -7.658 1.00 0.00 H new ATOM 1560 N LYS A 102 -3.605 -3.909 -10.535 1.00 0.00 N ATOM 1561 CA LYS A 102 -3.615 -2.699 -11.362 1.00 0.00 C ATOM 1562 C LYS A 102 -4.828 -2.684 -12.295 1.00 0.00 C ATOM 1563 O LYS A 102 -5.417 -1.632 -12.546 1.00 0.00 O ATOM 1564 CB LYS A 102 -2.324 -2.609 -12.183 1.00 0.00 C ATOM 1565 CG LYS A 102 -2.157 -1.293 -12.933 1.00 0.00 C ATOM 1566 CD LYS A 102 -2.197 -1.499 -14.440 1.00 0.00 C ATOM 1567 CE LYS A 102 -0.817 -1.815 -14.998 1.00 0.00 C ATOM 1568 NZ LYS A 102 -0.880 -2.769 -16.141 1.00 0.00 N ATOM 0 H LYS A 102 -2.774 -4.489 -10.653 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.680 -1.836 -10.699 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.472 -2.747 -11.517 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -2.304 -3.429 -12.900 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -2.947 -0.603 -12.638 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.210 -0.832 -12.653 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.882 -2.313 -14.679 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -2.588 -0.602 -14.920 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -0.338 -0.892 -15.323 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -0.195 -2.236 -14.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 0.082 -2.956 -16.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -1.314 -3.660 -15.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -1.452 -2.357 -16.906 1.00 0.00 H new ATOM 1582 N GLU A 103 -5.194 -3.863 -12.802 1.00 0.00 N ATOM 1583 CA GLU A 103 -6.336 -4.000 -13.704 1.00 0.00 C ATOM 1584 C GLU A 103 -7.641 -3.614 -13.003 1.00 0.00 C ATOM 1585 O GLU A 103 -8.539 -3.037 -13.619 1.00 0.00 O ATOM 1586 CB GLU A 103 -6.427 -5.438 -14.222 1.00 0.00 C ATOM 1587 CG GLU A 103 -6.886 -5.544 -15.668 1.00 0.00 C ATOM 1588 CD GLU A 103 -6.008 -6.468 -16.491 1.00 0.00 C ATOM 1589 OE1 GLU A 103 -6.035 -7.692 -16.241 1.00 0.00 O ATOM 1590 OE2 GLU A 103 -5.292 -5.968 -17.383 1.00 0.00 O ATOM 0 H GLU A 103 -4.713 -4.740 -12.601 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.187 -3.323 -14.545 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.450 -5.911 -14.126 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.116 -5.998 -13.590 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -7.914 -5.907 -15.694 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.887 -4.552 -16.119 1.00 0.00 H new ATOM 1597 N VAL A 104 -7.735 -3.937 -11.712 1.00 0.00 N ATOM 1598 CA VAL A 104 -8.924 -3.624 -10.922 1.00 0.00 C ATOM 1599 C VAL A 104 -8.955 -2.144 -10.541 1.00 0.00 C ATOM 1600 O VAL A 104 -10.002 -1.500 -10.617 1.00 0.00 O ATOM 1601 CB VAL A 104 -8.989 -4.486 -9.640 1.00 0.00 C ATOM 1602 CG1 VAL A 104 -10.288 -4.242 -8.880 1.00 0.00 C ATOM 1603 CG2 VAL A 104 -8.842 -5.963 -9.980 1.00 0.00 C ATOM 0 H VAL A 104 -7.000 -4.416 -11.192 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.791 -3.851 -11.543 1.00 0.00 H new ATOM 0 HB VAL A 104 -8.160 -4.193 -8.996 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.307 -4.861 -7.983 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.352 -3.191 -8.597 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.135 -4.499 -9.516 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.890 -6.554 -9.065 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.648 -6.264 -10.649 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.882 -6.130 -10.469 1.00 0.00 H new ATOM 1613 N VAL A 105 -7.802 -1.611 -10.133 1.00 0.00 N ATOM 1614 CA VAL A 105 -7.701 -0.207 -9.743 1.00 0.00 C ATOM 1615 C VAL A 105 -6.698 0.536 -10.624 1.00 0.00 C ATOM 1616 O VAL A 105 -5.488 0.326 -10.517 1.00 0.00 O ATOM 1617 CB VAL A 105 -7.293 -0.055 -8.263 1.00 0.00 C ATOM 1618 CG1 VAL A 105 -7.328 1.407 -7.842 1.00 0.00 C ATOM 1619 CG2 VAL A 105 -8.200 -0.892 -7.371 1.00 0.00 C ATOM 0 H VAL A 105 -6.927 -2.131 -10.065 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.690 0.230 -9.877 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.271 -0.417 -8.151 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.037 1.491 -6.795 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.635 1.980 -8.458 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -8.337 1.799 -7.971 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.898 -0.773 -6.331 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.232 -0.562 -7.489 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -8.120 -1.942 -7.654 1.00 0.00 H new ATOM 1629 N GLN A 106 -7.213 1.402 -11.493 1.00 0.00 N ATOM 1630 CA GLN A 106 -6.372 2.180 -12.401 1.00 0.00 C ATOM 1631 C GLN A 106 -6.251 3.638 -11.947 1.00 0.00 C ATOM 1632 O GLN A 106 -5.268 4.311 -12.264 1.00 0.00 O ATOM 1633 CB GLN A 106 -6.936 2.111 -13.824 1.00 0.00 C ATOM 1634 CG GLN A 106 -6.404 0.934 -14.632 1.00 0.00 C ATOM 1635 CD GLN A 106 -7.502 0.011 -15.134 1.00 0.00 C ATOM 1636 OE1 GLN A 106 -8.669 0.396 -15.220 1.00 0.00 O ATOM 1637 NE2 GLN A 106 -7.131 -1.221 -15.472 1.00 0.00 N ATOM 0 H GLN A 106 -8.212 1.584 -11.588 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.372 1.747 -12.388 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.023 2.045 -13.773 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -6.697 3.038 -14.346 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.838 1.312 -15.483 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.710 0.362 -14.016 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.154 -1.501 -15.386 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.824 -1.886 -15.817 1.00 0.00 H new ATOM 1646 N ASN A 107 -7.248 4.122 -11.200 1.00 0.00 N ATOM 1647 CA ASN A 107 -7.243 5.495 -10.703 1.00 0.00 C ATOM 1648 C ASN A 107 -6.335 5.626 -9.482 1.00 0.00 C ATOM 1649 O ASN A 107 -6.793 5.536 -8.342 1.00 0.00 O ATOM 1650 CB ASN A 107 -8.669 5.945 -10.350 1.00 0.00 C ATOM 1651 CG ASN A 107 -9.065 7.231 -11.050 1.00 0.00 C ATOM 1652 OD1 ASN A 107 -9.046 8.306 -10.452 1.00 0.00 O ATOM 1653 ND2 ASN A 107 -9.433 7.128 -12.323 1.00 0.00 N ATOM 0 H ASN A 107 -8.068 3.580 -10.928 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.857 6.139 -11.493 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -9.372 5.157 -10.620 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -8.746 6.084 -9.272 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.714 7.960 -12.842 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.434 6.217 -12.781 1.00 0.00 H new ATOM 1660 N PHE A 108 -5.046 5.836 -9.731 1.00 0.00 N ATOM 1661 CA PHE A 108 -4.068 5.980 -8.654 1.00 0.00 C ATOM 1662 C PHE A 108 -3.156 7.183 -8.899 1.00 0.00 C ATOM 1663 O PHE A 108 -3.268 7.860 -9.922 1.00 0.00 O ATOM 1664 CB PHE A 108 -3.235 4.701 -8.508 1.00 0.00 C ATOM 1665 CG PHE A 108 -2.535 4.272 -9.769 1.00 0.00 C ATOM 1666 CD1 PHE A 108 -1.386 4.921 -10.197 1.00 0.00 C ATOM 1667 CD2 PHE A 108 -3.019 3.213 -10.521 1.00 0.00 C ATOM 1668 CE1 PHE A 108 -0.739 4.524 -11.351 1.00 0.00 C ATOM 1669 CE2 PHE A 108 -2.374 2.811 -11.674 1.00 0.00 C ATOM 1670 CZ PHE A 108 -1.233 3.468 -12.090 1.00 0.00 C ATOM 0 H PHE A 108 -4.653 5.911 -10.669 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.613 6.149 -7.725 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.490 4.853 -7.727 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.886 3.893 -8.175 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -0.993 5.746 -9.621 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -3.912 2.696 -10.201 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.153 5.040 -11.675 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -2.762 1.984 -12.250 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.728 3.156 -12.992 1.00 0.00 H new ATOM 1680 N ALA A 109 -2.256 7.444 -7.950 1.00 0.00 N ATOM 1681 CA ALA A 109 -1.327 8.566 -8.059 1.00 0.00 C ATOM 1682 C ALA A 109 0.124 8.090 -8.095 1.00 0.00 C ATOM 1683 O ALA A 109 0.858 8.387 -9.037 1.00 0.00 O ATOM 1684 CB ALA A 109 -1.530 9.536 -6.903 1.00 0.00 C ATOM 0 H ALA A 109 -2.152 6.893 -7.098 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.536 9.079 -8.998 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -0.831 10.367 -6.998 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.551 9.917 -6.923 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.354 9.020 -5.959 1.00 0.00 H new ATOM 1690 N LYS A 110 0.532 7.359 -7.057 1.00 0.00 N ATOM 1691 CA LYS A 110 1.898 6.853 -6.968 1.00 0.00 C ATOM 1692 C LYS A 110 1.919 5.395 -6.512 1.00 0.00 C ATOM 1693 O LYS A 110 1.148 4.995 -5.638 1.00 0.00 O ATOM 1694 CB LYS A 110 2.714 7.718 -6.007 1.00 0.00 C ATOM 1695 CG LYS A 110 4.211 7.472 -6.081 1.00 0.00 C ATOM 1696 CD LYS A 110 4.951 8.260 -5.012 1.00 0.00 C ATOM 1697 CE LYS A 110 6.341 8.668 -5.476 1.00 0.00 C ATOM 1698 NZ LYS A 110 7.259 7.500 -5.594 1.00 0.00 N ATOM 0 H LYS A 110 -0.064 7.106 -6.269 1.00 0.00 H new ATOM 0 HA LYS A 110 2.344 6.901 -7.962 1.00 0.00 H new ATOM 0 HB2 LYS A 110 2.517 8.768 -6.222 1.00 0.00 H new ATOM 0 HB3 LYS A 110 2.375 7.532 -4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 110 4.414 6.408 -5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.581 7.755 -7.067 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.378 9.150 -4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.031 7.659 -4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.268 9.170 -6.441 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.760 9.388 -4.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.193 7.753 -5.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.872 6.698 -5.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.353 7.232 -6.595 1.00 0.00 H new ATOM 1712 N GLU A 111 2.810 4.609 -7.112 1.00 0.00 N ATOM 1713 CA GLU A 111 2.941 3.194 -6.779 1.00 0.00 C ATOM 1714 C GLU A 111 4.407 2.769 -6.778 1.00 0.00 C ATOM 1715 O GLU A 111 5.151 3.077 -7.712 1.00 0.00 O ATOM 1716 CB GLU A 111 2.152 2.342 -7.779 1.00 0.00 C ATOM 1717 CG GLU A 111 2.517 2.610 -9.232 1.00 0.00 C ATOM 1718 CD GLU A 111 1.859 1.639 -10.194 1.00 0.00 C ATOM 1719 OE1 GLU A 111 0.612 1.659 -10.301 1.00 0.00 O ATOM 1720 OE2 GLU A 111 2.590 0.863 -10.843 1.00 0.00 O ATOM 0 H GLU A 111 3.454 4.931 -7.834 1.00 0.00 H new ATOM 0 HA GLU A 111 2.536 3.040 -5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 111 2.323 1.288 -7.559 1.00 0.00 H new ATOM 0 HB3 GLU A 111 1.087 2.528 -7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.225 3.627 -9.493 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.599 2.550 -9.347 1.00 0.00 H new ATOM 1727 N PHE A 112 4.819 2.062 -5.727 1.00 0.00 N ATOM 1728 CA PHE A 112 6.203 1.598 -5.616 1.00 0.00 C ATOM 1729 C PHE A 112 6.310 0.349 -4.742 1.00 0.00 C ATOM 1730 O PHE A 112 5.358 -0.029 -4.057 1.00 0.00 O ATOM 1731 CB PHE A 112 7.102 2.709 -5.062 1.00 0.00 C ATOM 1732 CG PHE A 112 6.530 3.429 -3.872 1.00 0.00 C ATOM 1733 CD1 PHE A 112 5.638 4.475 -4.044 1.00 0.00 C ATOM 1734 CD2 PHE A 112 6.890 3.064 -2.585 1.00 0.00 C ATOM 1735 CE1 PHE A 112 5.116 5.144 -2.955 1.00 0.00 C ATOM 1736 CE2 PHE A 112 6.369 3.730 -1.492 1.00 0.00 C ATOM 1737 CZ PHE A 112 5.482 4.771 -1.678 1.00 0.00 C ATOM 0 H PHE A 112 4.220 1.799 -4.945 1.00 0.00 H new ATOM 0 HA PHE A 112 6.541 1.336 -6.619 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.064 2.278 -4.784 1.00 0.00 H new ATOM 0 HB3 PHE A 112 7.294 3.434 -5.853 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.348 4.770 -5.041 1.00 0.00 H new ATOM 0 HD2 PHE A 112 7.585 2.251 -2.434 1.00 0.00 H new ATOM 0 HE1 PHE A 112 4.422 5.958 -3.102 1.00 0.00 H new ATOM 0 HE2 PHE A 112 6.656 3.436 -0.493 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.075 5.293 -0.825 1.00 0.00 H new ATOM 1747 N VAL A 113 7.482 -0.287 -4.778 1.00 0.00 N ATOM 1748 CA VAL A 113 7.731 -1.497 -3.998 1.00 0.00 C ATOM 1749 C VAL A 113 8.656 -1.207 -2.816 1.00 0.00 C ATOM 1750 O VAL A 113 9.564 -0.382 -2.915 1.00 0.00 O ATOM 1751 CB VAL A 113 8.365 -2.609 -4.867 1.00 0.00 C ATOM 1752 CG1 VAL A 113 8.454 -3.916 -4.093 1.00 0.00 C ATOM 1753 CG2 VAL A 113 7.580 -2.801 -6.157 1.00 0.00 C ATOM 0 H VAL A 113 8.275 0.018 -5.342 1.00 0.00 H new ATOM 0 HA VAL A 113 6.764 -1.839 -3.629 1.00 0.00 H new ATOM 0 HB VAL A 113 9.377 -2.298 -5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 113 8.903 -4.683 -4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 113 9.069 -3.772 -3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 113 7.454 -4.231 -3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 113 8.044 -3.588 -6.752 1.00 0.00 H new ATOM 0 HG22 VAL A 113 6.554 -3.083 -5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.579 -1.870 -6.724 1.00 0.00 H new ATOM 1763 N ILE A 114 8.422 -1.900 -1.701 1.00 0.00 N ATOM 1764 CA ILE A 114 9.237 -1.730 -0.501 1.00 0.00 C ATOM 1765 C ILE A 114 9.813 -3.071 -0.048 1.00 0.00 C ATOM 1766 O ILE A 114 9.104 -4.078 -0.004 1.00 0.00 O ATOM 1767 CB ILE A 114 8.426 -1.100 0.654 1.00 0.00 C ATOM 1768 CG1 ILE A 114 7.884 0.272 0.240 1.00 0.00 C ATOM 1769 CG2 ILE A 114 9.284 -0.979 1.906 1.00 0.00 C ATOM 1770 CD1 ILE A 114 6.939 0.882 1.252 1.00 0.00 C ATOM 0 H ILE A 114 7.673 -2.585 -1.605 1.00 0.00 H new ATOM 0 HA ILE A 114 10.052 -1.053 -0.757 1.00 0.00 H new ATOM 0 HB ILE A 114 7.582 -1.752 0.878 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.722 0.951 0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.367 0.176 -0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.696 -0.533 2.708 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.623 -1.969 2.211 1.00 0.00 H new ATOM 0 HG23 ILE A 114 10.148 -0.348 1.696 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.596 1.852 0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.082 0.223 1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.457 1.011 2.202 1.00 0.00 H new ATOM 1782 N SER A 115 11.106 -3.074 0.278 1.00 0.00 N ATOM 1783 CA SER A 115 11.788 -4.289 0.722 1.00 0.00 C ATOM 1784 C SER A 115 12.412 -4.114 2.112 1.00 0.00 C ATOM 1785 O SER A 115 13.285 -4.888 2.508 1.00 0.00 O ATOM 1786 CB SER A 115 12.870 -4.676 -0.291 1.00 0.00 C ATOM 1787 OG SER A 115 12.800 -6.054 -0.617 1.00 0.00 O ATOM 0 H SER A 115 11.702 -2.247 0.243 1.00 0.00 H new ATOM 0 HA SER A 115 11.045 -5.084 0.789 1.00 0.00 H new ATOM 0 HB2 SER A 115 12.754 -4.080 -1.196 1.00 0.00 H new ATOM 0 HB3 SER A 115 13.854 -4.446 0.119 1.00 0.00 H new ATOM 0 HG SER A 115 13.501 -6.273 -1.266 1.00 0.00 H new ATOM 1793 N ASP A 116 11.960 -3.099 2.850 1.00 0.00 N ATOM 1794 CA ASP A 116 12.476 -2.834 4.188 1.00 0.00 C ATOM 1795 C ASP A 116 11.453 -2.077 5.029 1.00 0.00 C ATOM 1796 O ASP A 116 10.700 -1.247 4.514 1.00 0.00 O ATOM 1797 CB ASP A 116 13.784 -2.041 4.115 1.00 0.00 C ATOM 1798 CG ASP A 116 13.651 -0.752 3.320 1.00 0.00 C ATOM 1799 OD1 ASP A 116 13.613 -0.818 2.071 1.00 0.00 O ATOM 1800 OD2 ASP A 116 13.585 0.323 3.949 1.00 0.00 O ATOM 0 H ASP A 116 11.238 -2.449 2.541 1.00 0.00 H new ATOM 0 HA ASP A 116 12.672 -3.794 4.665 1.00 0.00 H new ATOM 0 HB2 ASP A 116 14.117 -1.806 5.126 1.00 0.00 H new ATOM 0 HB3 ASP A 116 14.556 -2.663 3.662 1.00 0.00 H new ATOM 1805 N ARG A 117 11.432 -2.372 6.326 1.00 0.00 N ATOM 1806 CA ARG A 117 10.503 -1.725 7.249 1.00 0.00 C ATOM 1807 C ARG A 117 10.726 -0.210 7.300 1.00 0.00 C ATOM 1808 O ARG A 117 9.788 0.548 7.554 1.00 0.00 O ATOM 1809 CB ARG A 117 10.638 -2.331 8.647 1.00 0.00 C ATOM 1810 CG ARG A 117 9.406 -3.102 9.094 1.00 0.00 C ATOM 1811 CD ARG A 117 9.462 -3.432 10.576 1.00 0.00 C ATOM 1812 NE ARG A 117 8.328 -4.256 10.996 1.00 0.00 N ATOM 1813 CZ ARG A 117 8.269 -5.582 10.854 1.00 0.00 C ATOM 1814 NH1 ARG A 117 9.276 -6.246 10.293 1.00 0.00 N ATOM 1815 NH2 ARG A 117 7.197 -6.244 11.272 1.00 0.00 N ATOM 0 H ARG A 117 12.049 -3.057 6.763 1.00 0.00 H new ATOM 0 HA ARG A 117 9.491 -1.899 6.882 1.00 0.00 H new ATOM 0 HB2 ARG A 117 11.500 -2.998 8.664 1.00 0.00 H new ATOM 0 HB3 ARG A 117 10.838 -1.533 9.363 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.512 -2.514 8.885 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.324 -4.024 8.518 1.00 0.00 H new ATOM 0 HD2 ARG A 117 10.392 -3.956 10.796 1.00 0.00 H new ATOM 0 HD3 ARG A 117 9.472 -2.508 11.153 1.00 0.00 H new ATOM 0 HE ARG A 117 7.531 -3.787 11.425 1.00 0.00 H new ATOM 0 HH11 ARG A 117 10.101 -5.742 9.968 1.00 0.00 H new ATOM 0 HH12 ARG A 117 9.223 -7.259 10.188 1.00 0.00 H new ATOM 0 HH21 ARG A 117 6.421 -5.739 11.700 1.00 0.00 H new ATOM 0 HH22 ARG A 117 7.149 -7.257 11.165 1.00 0.00 H new ATOM 1829 N LYS A 118 11.964 0.228 7.050 1.00 0.00 N ATOM 1830 CA LYS A 118 12.289 1.656 7.062 1.00 0.00 C ATOM 1831 C LYS A 118 11.457 2.405 6.020 1.00 0.00 C ATOM 1832 O LYS A 118 10.875 3.449 6.315 1.00 0.00 O ATOM 1833 CB LYS A 118 13.785 1.868 6.799 1.00 0.00 C ATOM 1834 CG LYS A 118 14.225 3.321 6.905 1.00 0.00 C ATOM 1835 CD LYS A 118 15.741 3.446 6.936 1.00 0.00 C ATOM 1836 CE LYS A 118 16.300 3.137 8.318 1.00 0.00 C ATOM 1837 NZ LYS A 118 17.455 4.014 8.665 1.00 0.00 N ATOM 0 H LYS A 118 12.753 -0.383 6.838 1.00 0.00 H new ATOM 0 HA LYS A 118 12.049 2.054 8.048 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.358 1.271 7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 118 14.026 1.496 5.803 1.00 0.00 H new ATOM 0 HG2 LYS A 118 13.830 3.884 6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 118 13.804 3.764 7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 118 16.178 2.765 6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 118 16.030 4.456 6.643 1.00 0.00 H new ATOM 0 HE2 LYS A 118 15.514 3.262 9.063 1.00 0.00 H new ATOM 0 HE3 LYS A 118 16.613 2.094 8.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 17.804 3.769 9.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 18.216 3.877 7.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 17.151 5.009 8.654 1.00 0.00 H new ATOM 1851 N GLU A 119 11.397 1.854 4.806 1.00 0.00 N ATOM 1852 CA GLU A 119 10.625 2.455 3.721 1.00 0.00 C ATOM 1853 C GLU A 119 9.130 2.404 4.037 1.00 0.00 C ATOM 1854 O GLU A 119 8.401 3.369 3.797 1.00 0.00 O ATOM 1855 CB GLU A 119 10.896 1.719 2.406 1.00 0.00 C ATOM 1856 CG GLU A 119 11.999 2.338 1.564 1.00 0.00 C ATOM 1857 CD GLU A 119 11.861 1.993 0.094 1.00 0.00 C ATOM 1858 OE1 GLU A 119 11.997 0.797 -0.251 1.00 0.00 O ATOM 1859 OE2 GLU A 119 11.612 2.917 -0.712 1.00 0.00 O ATOM 0 H GLU A 119 11.876 0.990 4.551 1.00 0.00 H new ATOM 0 HA GLU A 119 10.931 3.496 3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.160 0.685 2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 119 9.977 1.694 1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 119 11.981 3.421 1.684 1.00 0.00 H new ATOM 0 HG3 GLU A 119 12.967 1.993 1.927 1.00 0.00 H new ATOM 1866 N LEU A 120 8.689 1.265 4.577 1.00 0.00 N ATOM 1867 CA LEU A 120 7.284 1.059 4.937 1.00 0.00 C ATOM 1868 C LEU A 120 6.766 2.176 5.844 1.00 0.00 C ATOM 1869 O LEU A 120 5.602 2.570 5.747 1.00 0.00 O ATOM 1870 CB LEU A 120 7.113 -0.294 5.637 1.00 0.00 C ATOM 1871 CG LEU A 120 6.855 -1.486 4.709 1.00 0.00 C ATOM 1872 CD1 LEU A 120 6.664 -2.759 5.520 1.00 0.00 C ATOM 1873 CD2 LEU A 120 5.642 -1.223 3.827 1.00 0.00 C ATOM 0 H LEU A 120 9.290 0.465 4.776 1.00 0.00 H new ATOM 0 HA LEU A 120 6.701 1.072 4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 120 8.010 -0.498 6.221 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.285 -0.218 6.341 1.00 0.00 H new ATOM 0 HG LEU A 120 7.724 -1.617 4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 120 6.482 -3.596 4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 120 7.561 -2.955 6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.812 -2.640 6.189 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.474 -2.080 3.175 1.00 0.00 H new ATOM 0 HD22 LEU A 120 4.764 -1.066 4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 120 5.819 -0.335 3.221 1.00 0.00 H new ATOM 1885 N GLU A 121 7.638 2.674 6.724 1.00 0.00 N ATOM 1886 CA GLU A 121 7.293 3.740 7.658 1.00 0.00 C ATOM 1887 C GLU A 121 6.470 4.839 6.979 1.00 0.00 C ATOM 1888 O GLU A 121 6.867 5.380 5.945 1.00 0.00 O ATOM 1889 CB GLU A 121 8.578 4.322 8.248 1.00 0.00 C ATOM 1890 CG GLU A 121 8.348 5.387 9.303 1.00 0.00 C ATOM 1891 CD GLU A 121 8.643 4.893 10.707 1.00 0.00 C ATOM 1892 OE1 GLU A 121 7.817 4.132 11.255 1.00 0.00 O ATOM 1893 OE2 GLU A 121 9.700 5.268 11.258 1.00 0.00 O ATOM 0 H GLU A 121 8.601 2.348 6.806 1.00 0.00 H new ATOM 0 HA GLU A 121 6.677 3.321 8.454 1.00 0.00 H new ATOM 0 HB2 GLU A 121 9.163 3.513 8.685 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.175 4.748 7.442 1.00 0.00 H new ATOM 0 HG2 GLU A 121 8.978 6.250 9.086 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.313 5.726 9.251 1.00 0.00 H new ATOM 1900 N GLU A 122 5.314 5.150 7.571 1.00 0.00 N ATOM 1901 CA GLU A 122 4.406 6.172 7.040 1.00 0.00 C ATOM 1902 C GLU A 122 5.130 7.488 6.752 1.00 0.00 C ATOM 1903 O GLU A 122 4.835 8.161 5.764 1.00 0.00 O ATOM 1904 CB GLU A 122 3.260 6.420 8.023 1.00 0.00 C ATOM 1905 CG GLU A 122 2.034 7.056 7.385 1.00 0.00 C ATOM 1906 CD GLU A 122 1.641 8.363 8.047 1.00 0.00 C ATOM 1907 OE1 GLU A 122 1.136 8.322 9.189 1.00 0.00 O ATOM 1908 OE2 GLU A 122 1.840 9.428 7.424 1.00 0.00 O ATOM 0 H GLU A 122 4.982 4.704 8.426 1.00 0.00 H new ATOM 0 HA GLU A 122 4.009 5.796 6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 122 2.972 5.472 8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 122 3.616 7.064 8.827 1.00 0.00 H new ATOM 0 HG2 GLU A 122 2.231 7.234 6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 122 1.198 6.359 7.441 1.00 0.00 H new ATOM 1915 N ASN A 123 6.078 7.847 7.618 1.00 0.00 N ATOM 1916 CA ASN A 123 6.842 9.079 7.455 1.00 0.00 C ATOM 1917 C ASN A 123 7.585 9.078 6.123 1.00 0.00 C ATOM 1918 O ASN A 123 7.556 10.064 5.383 1.00 0.00 O ATOM 1919 CB ASN A 123 7.833 9.247 8.609 1.00 0.00 C ATOM 1920 CG ASN A 123 7.201 9.880 9.835 1.00 0.00 C ATOM 1921 OD1 ASN A 123 7.074 9.241 10.880 1.00 0.00 O ATOM 1922 ND2 ASN A 123 6.801 11.141 9.715 1.00 0.00 N ATOM 0 H ASN A 123 6.334 7.300 8.440 1.00 0.00 H new ATOM 0 HA ASN A 123 6.145 9.917 7.464 1.00 0.00 H new ATOM 0 HB2 ASN A 123 8.241 8.272 8.877 1.00 0.00 H new ATOM 0 HB3 ASN A 123 8.670 9.862 8.278 1.00 0.00 H new ATOM 0 HD21 ASN A 123 6.370 11.617 10.507 1.00 0.00 H new ATOM 0 HD22 ASN A 123 6.925 11.634 8.830 1.00 0.00 H new ATOM 1929 N PHE A 124 8.242 7.958 5.823 1.00 0.00 N ATOM 1930 CA PHE A 124 8.988 7.812 4.578 1.00 0.00 C ATOM 1931 C PHE A 124 8.061 7.940 3.368 1.00 0.00 C ATOM 1932 O PHE A 124 8.332 8.711 2.447 1.00 0.00 O ATOM 1933 CB PHE A 124 9.703 6.458 4.547 1.00 0.00 C ATOM 1934 CG PHE A 124 10.689 6.326 3.421 1.00 0.00 C ATOM 1935 CD1 PHE A 124 10.261 5.989 2.146 1.00 0.00 C ATOM 1936 CD2 PHE A 124 12.042 6.541 3.634 1.00 0.00 C ATOM 1937 CE1 PHE A 124 11.163 5.869 1.107 1.00 0.00 C ATOM 1938 CE2 PHE A 124 12.948 6.422 2.597 1.00 0.00 C ATOM 1939 CZ PHE A 124 12.508 6.086 1.332 1.00 0.00 C ATOM 0 H PHE A 124 8.271 7.138 6.428 1.00 0.00 H new ATOM 0 HA PHE A 124 9.729 8.610 4.530 1.00 0.00 H new ATOM 0 HB2 PHE A 124 10.223 6.309 5.494 1.00 0.00 H new ATOM 0 HB3 PHE A 124 8.959 5.665 4.463 1.00 0.00 H new ATOM 0 HD1 PHE A 124 9.210 5.818 1.963 1.00 0.00 H new ATOM 0 HD2 PHE A 124 12.392 6.804 4.621 1.00 0.00 H new ATOM 0 HE1 PHE A 124 10.816 5.605 0.119 1.00 0.00 H new ATOM 0 HE2 PHE A 124 13.999 6.592 2.776 1.00 0.00 H new ATOM 0 HZ PHE A 124 13.214 5.993 0.520 1.00 0.00 H new ATOM 1949 N ILE A 125 6.962 7.183 3.389 1.00 0.00 N ATOM 1950 CA ILE A 125 5.981 7.207 2.303 1.00 0.00 C ATOM 1951 C ILE A 125 5.449 8.624 2.075 1.00 0.00 C ATOM 1952 O ILE A 125 5.354 9.086 0.936 1.00 0.00 O ATOM 1953 CB ILE A 125 4.788 6.268 2.597 1.00 0.00 C ATOM 1954 CG1 ILE A 125 5.276 4.877 3.022 1.00 0.00 C ATOM 1955 CG2 ILE A 125 3.878 6.162 1.380 1.00 0.00 C ATOM 1956 CD1 ILE A 125 6.167 4.203 2.001 1.00 0.00 C ATOM 0 H ILE A 125 6.729 6.544 4.149 1.00 0.00 H new ATOM 0 HA ILE A 125 6.495 6.861 1.406 1.00 0.00 H new ATOM 0 HB ILE A 125 4.218 6.696 3.422 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.819 4.965 3.963 1.00 0.00 H new ATOM 0 HG13 ILE A 125 4.411 4.241 3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 125 3.044 5.497 1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 125 3.495 7.150 1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 125 4.442 5.763 0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.471 3.225 2.373 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.621 4.082 1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 125 7.051 4.817 1.828 1.00 0.00 H new ATOM 1968 N LYS A 126 5.105 9.302 3.171 1.00 0.00 N ATOM 1969 CA LYS A 126 4.579 10.666 3.118 1.00 0.00 C ATOM 1970 C LYS A 126 5.532 11.602 2.371 1.00 0.00 C ATOM 1971 O LYS A 126 5.109 12.354 1.492 1.00 0.00 O ATOM 1972 CB LYS A 126 4.336 11.180 4.540 1.00 0.00 C ATOM 1973 CG LYS A 126 3.840 12.617 4.605 1.00 0.00 C ATOM 1974 CD LYS A 126 2.430 12.698 5.171 1.00 0.00 C ATOM 1975 CE LYS A 126 2.416 12.490 6.680 1.00 0.00 C ATOM 1976 NZ LYS A 126 1.052 12.167 7.183 1.00 0.00 N ATOM 0 H LYS A 126 5.183 8.923 4.115 1.00 0.00 H new ATOM 0 HA LYS A 126 3.636 10.649 2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 126 3.608 10.533 5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 126 5.264 11.101 5.107 1.00 0.00 H new ATOM 0 HG2 LYS A 126 4.515 13.208 5.224 1.00 0.00 H new ATOM 0 HG3 LYS A 126 3.858 13.054 3.607 1.00 0.00 H new ATOM 0 HD2 LYS A 126 1.998 13.670 4.934 1.00 0.00 H new ATOM 0 HD3 LYS A 126 1.803 11.945 4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 126 3.100 11.683 6.942 1.00 0.00 H new ATOM 0 HE3 LYS A 126 2.781 13.390 7.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 0.863 12.713 8.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 0.348 12.411 6.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 0.992 11.151 7.395 1.00 0.00 H new ATOM 1990 N SER A 127 6.817 11.550 2.727 1.00 0.00 N ATOM 1991 CA SER A 127 7.825 12.393 2.088 1.00 0.00 C ATOM 1992 C SER A 127 7.945 12.065 0.601 1.00 0.00 C ATOM 1993 O SER A 127 8.038 12.965 -0.234 1.00 0.00 O ATOM 1994 CB SER A 127 9.181 12.223 2.779 1.00 0.00 C ATOM 1995 OG SER A 127 9.975 13.392 2.644 1.00 0.00 O ATOM 0 H SER A 127 7.182 10.934 3.453 1.00 0.00 H new ATOM 0 HA SER A 127 7.509 13.432 2.186 1.00 0.00 H new ATOM 0 HB2 SER A 127 9.029 12.003 3.836 1.00 0.00 H new ATOM 0 HB3 SER A 127 9.707 11.371 2.349 1.00 0.00 H new ATOM 0 HG SER A 127 10.834 13.258 3.095 1.00 0.00 H new ATOM 2001 N GLU A 128 7.932 10.769 0.280 1.00 0.00 N ATOM 2002 CA GLU A 128 8.030 10.311 -1.106 1.00 0.00 C ATOM 2003 C GLU A 128 6.900 10.894 -1.958 1.00 0.00 C ATOM 2004 O GLU A 128 7.145 11.457 -3.025 1.00 0.00 O ATOM 2005 CB GLU A 128 7.993 8.780 -1.158 1.00 0.00 C ATOM 2006 CG GLU A 128 8.155 8.205 -2.559 1.00 0.00 C ATOM 2007 CD GLU A 128 9.552 7.675 -2.829 1.00 0.00 C ATOM 2008 OE1 GLU A 128 10.524 8.240 -2.283 1.00 0.00 O ATOM 2009 OE2 GLU A 128 9.672 6.694 -3.594 1.00 0.00 O ATOM 0 H GLU A 128 7.854 10.017 0.964 1.00 0.00 H new ATOM 0 HA GLU A 128 8.979 10.660 -1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 128 8.784 8.386 -0.520 1.00 0.00 H new ATOM 0 HB3 GLU A 128 7.047 8.435 -0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 128 7.434 7.400 -2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 128 7.918 8.977 -3.291 1.00 0.00 H new ATOM 2016 N LEU A 129 5.664 10.749 -1.477 1.00 0.00 N ATOM 2017 CA LEU A 129 4.492 11.257 -2.193 1.00 0.00 C ATOM 2018 C LEU A 129 4.502 12.784 -2.282 1.00 0.00 C ATOM 2019 O LEU A 129 4.106 13.352 -3.301 1.00 0.00 O ATOM 2020 CB LEU A 129 3.205 10.785 -1.511 1.00 0.00 C ATOM 2021 CG LEU A 129 2.365 9.805 -2.332 1.00 0.00 C ATOM 2022 CD1 LEU A 129 2.880 8.386 -2.160 1.00 0.00 C ATOM 2023 CD2 LEU A 129 0.900 9.890 -1.931 1.00 0.00 C ATOM 0 H LEU A 129 5.448 10.284 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 129 4.531 10.860 -3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 129 3.465 10.313 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 129 2.594 11.657 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 129 2.451 10.078 -3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 129 2.270 7.703 -2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 129 3.915 8.331 -2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 129 2.825 8.104 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 129 0.318 9.186 -2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.797 9.644 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.533 10.902 -2.105 1.00 0.00 H new ATOM 2035 N LYS A 130 4.953 13.444 -1.213 1.00 0.00 N ATOM 2036 CA LYS A 130 5.011 14.905 -1.181 1.00 0.00 C ATOM 2037 C LYS A 130 6.092 15.423 -2.130 1.00 0.00 C ATOM 2038 O LYS A 130 5.919 16.463 -2.769 1.00 0.00 O ATOM 2039 CB LYS A 130 5.277 15.400 0.246 1.00 0.00 C ATOM 2040 CG LYS A 130 4.496 16.653 0.618 1.00 0.00 C ATOM 2041 CD LYS A 130 5.000 17.874 -0.136 1.00 0.00 C ATOM 2042 CE LYS A 130 4.534 19.169 0.517 1.00 0.00 C ATOM 2043 NZ LYS A 130 3.760 20.024 -0.428 1.00 0.00 N ATOM 0 H LYS A 130 5.282 12.990 -0.361 1.00 0.00 H new ATOM 0 HA LYS A 130 4.047 15.292 -1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.027 14.605 0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 130 6.342 15.601 0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 130 3.439 16.501 0.400 1.00 0.00 H new ATOM 0 HG3 LYS A 130 4.578 16.828 1.691 1.00 0.00 H new ATOM 0 HD2 LYS A 130 6.089 17.856 -0.172 1.00 0.00 H new ATOM 0 HD3 LYS A 130 4.646 17.838 -1.166 1.00 0.00 H new ATOM 0 HE2 LYS A 130 3.916 18.936 1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 130 5.399 19.723 0.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 3.462 20.895 0.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 4.357 20.268 -1.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 2.920 19.506 -0.757 1.00 0.00 H new