USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 970 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 71 GLN :FLIP amide:sc= -3.5! C(o=-6.8!,f=-2.5!) USER MOD Set 1.2: A 83 SER OG : rot -81:sc= 1.02 USER MOD Set 2.1: A 51 HIS : no HD1:sc= -1.26 K(o=-2.4,f=-9.6!) USER MOD Set 2.2: A 56 HIS : no HE2:sc= -1.11 K(o=-2.4,f=-4.5!) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.106 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 137:sc= -0.309 (180deg=-1.4!) USER MOD Single : A 15 GLN : amide:sc= -0.0151 X(o=-0.015,f=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -158:sc= -0.0592 (180deg=-1.44) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 130:sc= -2.02 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0433 F(o=-0.97,f=-0.043) USER MOD Single : A 43 GLN : amide:sc= -0.029 K(o=-0.029,f=-1.9!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.71 X(o=-1.7,f=-2.2!) USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.045) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 58 GLN : amide:sc= -3.59! C(o=-3.6!,f=-4.9!) USER MOD Single : A 64 ASN : amide:sc= -0.476! C(o=-0.48!,f=-13!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.804 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN :FLIP amide:sc= -5.19! C(o=-7.4!,f=-5.2!) USER MOD Single : A 85 SER OG : rot -23:sc= 1.38 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 108 HIS :FLIP no HD1:sc= -0.15 F(o=-0.79,f=-0.15) USER MOD Single : A 111 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.199) USER MOD Single : A 114 SER OG : rot 83:sc= 1.23 USER MOD Single : A 120 GLN : amide:sc= -0.881 X(o=-0.88,f=-0.55) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.71) USER MOD Single : A 124 SER OG : rot -24:sc= 0.592 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.815 -4.782 16.155 1.00 1.00 N ATOM 2 CA GLY A 1 -9.625 -3.913 15.930 1.00 1.00 C ATOM 3 C GLY A 1 -8.367 -4.635 16.405 1.00 1.00 C ATOM 4 O GLY A 1 -8.377 -5.850 16.607 1.00 1.00 O ATOM 0 H1 GLY A 1 -11.340 -4.889 15.264 1.00 1.00 H new ATOM 0 H2 GLY A 1 -10.504 -5.717 16.489 1.00 1.00 H new ATOM 0 H3 GLY A 1 -11.432 -4.347 16.870 1.00 1.00 H new ATOM 0 HA2 GLY A 1 -9.537 -3.666 14.872 1.00 1.00 H new ATOM 0 HA3 GLY A 1 -9.742 -2.972 16.468 1.00 1.00 H new ATOM 10 N PRO A 2 -7.290 -3.912 16.585 1.00 1.00 N ATOM 11 CA PRO A 2 -5.990 -4.491 17.046 1.00 1.00 C ATOM 12 C PRO A 2 -6.105 -5.145 18.425 1.00 1.00 C ATOM 13 O PRO A 2 -6.845 -4.672 19.289 1.00 1.00 O ATOM 14 CB PRO A 2 -5.035 -3.278 17.077 1.00 1.00 C ATOM 15 CG PRO A 2 -5.690 -2.233 16.225 1.00 1.00 C ATOM 16 CD PRO A 2 -7.191 -2.463 16.362 1.00 1.00 C ATOM 0 HA PRO A 2 -5.641 -5.289 16.390 1.00 1.00 H new ATOM 0 HB2 PRO A 2 -4.889 -2.919 18.096 1.00 1.00 H new ATOM 0 HB3 PRO A 2 -4.052 -3.542 16.688 1.00 1.00 H new ATOM 0 HG2 PRO A 2 -5.416 -1.231 16.556 1.00 1.00 H new ATOM 0 HG3 PRO A 2 -5.374 -2.322 15.186 1.00 1.00 H new ATOM 0 HD2 PRO A 2 -7.611 -1.898 17.194 1.00 1.00 H new ATOM 0 HD3 PRO A 2 -7.729 -2.156 15.465 1.00 1.00 H new ATOM 24 N LEU A 3 -5.366 -6.231 18.623 1.00 1.00 N ATOM 25 CA LEU A 3 -5.388 -6.940 19.898 1.00 1.00 C ATOM 26 C LEU A 3 -4.859 -6.045 21.017 1.00 1.00 C ATOM 27 O LEU A 3 -5.408 -6.023 22.117 1.00 1.00 O ATOM 28 CB LEU A 3 -4.539 -8.211 19.807 1.00 1.00 C ATOM 29 CG LEU A 3 -5.213 -9.233 18.879 1.00 1.00 C ATOM 30 CD1 LEU A 3 -4.236 -10.381 18.613 1.00 1.00 C ATOM 31 CD2 LEU A 3 -6.501 -9.787 19.525 1.00 1.00 C ATOM 0 H LEU A 3 -4.747 -6.638 17.922 1.00 1.00 H new ATOM 0 HA LEU A 3 -6.419 -7.212 20.124 1.00 1.00 H new ATOM 0 HB2 LEU A 3 -3.545 -7.967 19.431 1.00 1.00 H new ATOM 0 HB3 LEU A 3 -4.408 -8.641 20.800 1.00 1.00 H new ATOM 0 HG LEU A 3 -5.481 -8.744 17.943 1.00 1.00 H new ATOM 0 HD11 LEU A 3 -4.705 -11.113 17.955 1.00 1.00 H new ATOM 0 HD12 LEU A 3 -3.336 -9.990 18.138 1.00 1.00 H new ATOM 0 HD13 LEU A 3 -3.971 -10.859 19.556 1.00 1.00 H new ATOM 0 HD21 LEU A 3 -6.964 -10.509 18.852 1.00 1.00 H new ATOM 0 HD22 LEU A 3 -6.254 -10.275 20.468 1.00 1.00 H new ATOM 0 HD23 LEU A 3 -7.196 -8.968 19.712 1.00 1.00 H new ATOM 43 N GLY A 4 -3.791 -5.308 20.728 1.00 1.00 N ATOM 44 CA GLY A 4 -3.200 -4.414 21.718 1.00 1.00 C ATOM 45 C GLY A 4 -4.128 -3.239 22.013 1.00 1.00 C ATOM 46 O GLY A 4 -4.919 -2.833 21.163 1.00 1.00 O ATOM 0 H GLY A 4 -3.320 -5.311 19.823 1.00 1.00 H new ATOM 0 HA2 GLY A 4 -3.000 -4.964 22.637 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -2.242 -4.043 21.353 1.00 1.00 H new ATOM 50 N SER A 5 -4.026 -2.696 23.222 1.00 1.00 N ATOM 51 CA SER A 5 -4.860 -1.567 23.622 1.00 1.00 C ATOM 52 C SER A 5 -4.263 -0.255 23.118 1.00 1.00 C ATOM 53 O SER A 5 -4.870 0.808 23.256 1.00 1.00 O ATOM 54 CB SER A 5 -4.981 -1.523 25.147 1.00 1.00 C ATOM 55 OG SER A 5 -3.720 -1.174 25.706 1.00 1.00 O ATOM 0 H SER A 5 -3.377 -3.018 23.940 1.00 1.00 H new ATOM 0 HA SER A 5 -5.849 -1.695 23.183 1.00 1.00 H new ATOM 0 HB2 SER A 5 -5.737 -0.796 25.443 1.00 1.00 H new ATOM 0 HB3 SER A 5 -5.305 -2.492 25.526 1.00 1.00 H new ATOM 0 HG SER A 5 -3.793 -1.143 26.683 1.00 1.00 H new ATOM 61 N MET A 6 -3.069 -0.337 22.538 1.00 1.00 N ATOM 62 CA MET A 6 -2.393 0.851 22.021 1.00 1.00 C ATOM 63 C MET A 6 -2.879 1.176 20.611 1.00 1.00 C ATOM 64 O MET A 6 -2.905 0.310 19.737 1.00 1.00 O ATOM 65 CB MET A 6 -0.879 0.616 22.004 1.00 1.00 C ATOM 66 CG MET A 6 -0.154 1.928 21.688 1.00 1.00 C ATOM 67 SD MET A 6 -0.317 3.066 23.089 1.00 1.00 S ATOM 68 CE MET A 6 0.676 2.134 24.284 1.00 1.00 C ATOM 0 H MET A 6 -2.551 -1.207 22.414 1.00 1.00 H new ATOM 0 HA MET A 6 -2.625 1.694 22.671 1.00 1.00 H new ATOM 0 HB2 MET A 6 -0.550 0.232 22.970 1.00 1.00 H new ATOM 0 HB3 MET A 6 -0.627 -0.138 21.258 1.00 1.00 H new ATOM 0 HG2 MET A 6 0.899 1.733 21.485 1.00 1.00 H new ATOM 0 HG3 MET A 6 -0.574 2.380 20.789 1.00 1.00 H new ATOM 0 HE1 MET A 6 1.324 2.819 24.831 1.00 1.00 H new ATOM 0 HE2 MET A 6 0.016 1.622 24.984 1.00 1.00 H new ATOM 0 HE3 MET A 6 1.286 1.400 23.757 1.00 1.00 H new ATOM 78 N GLU A 7 -3.261 2.433 20.403 1.00 1.00 N ATOM 79 CA GLU A 7 -3.744 2.880 19.100 1.00 1.00 C ATOM 80 C GLU A 7 -2.808 2.394 17.984 1.00 1.00 C ATOM 81 O GLU A 7 -1.616 2.190 18.221 1.00 1.00 O ATOM 82 CB GLU A 7 -3.818 4.411 19.087 1.00 1.00 C ATOM 83 CG GLU A 7 -5.042 4.875 19.883 1.00 1.00 C ATOM 84 CD GLU A 7 -6.311 4.662 19.061 1.00 1.00 C ATOM 85 OE1 GLU A 7 -6.504 5.396 18.106 1.00 1.00 O ATOM 86 OE2 GLU A 7 -7.072 3.770 19.402 1.00 1.00 O ATOM 0 H GLU A 7 -3.246 3.159 21.119 1.00 1.00 H new ATOM 0 HA GLU A 7 -4.735 2.462 18.925 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -2.910 4.832 19.519 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -3.881 4.773 18.061 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -5.108 4.321 20.820 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -4.939 5.929 20.142 1.00 1.00 H new ATOM 93 N PRO A 8 -3.312 2.202 16.783 1.00 1.00 N ATOM 94 CA PRO A 8 -2.479 1.729 15.633 1.00 1.00 C ATOM 95 C PRO A 8 -1.551 2.832 15.104 1.00 1.00 C ATOM 96 O PRO A 8 -1.786 4.015 15.344 1.00 1.00 O ATOM 97 CB PRO A 8 -3.524 1.327 14.583 1.00 1.00 C ATOM 98 CG PRO A 8 -4.698 2.206 14.864 1.00 1.00 C ATOM 99 CD PRO A 8 -4.720 2.407 16.381 1.00 1.00 C ATOM 0 HA PRO A 8 -1.810 0.913 15.908 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -3.148 1.479 13.571 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -3.788 0.273 14.670 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -4.604 3.160 14.345 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -5.623 1.744 14.518 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -5.071 3.404 16.648 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -5.384 1.694 16.870 1.00 1.00 H new ATOM 107 N PRO A 9 -0.515 2.462 14.391 1.00 1.00 N ATOM 108 CA PRO A 9 0.459 3.441 13.818 1.00 1.00 C ATOM 109 C PRO A 9 -0.194 4.361 12.789 1.00 1.00 C ATOM 110 O PRO A 9 0.201 5.515 12.630 1.00 1.00 O ATOM 111 CB PRO A 9 1.534 2.550 13.168 1.00 1.00 C ATOM 112 CG PRO A 9 0.858 1.241 12.920 1.00 1.00 C ATOM 113 CD PRO A 9 -0.162 1.076 14.044 1.00 1.00 C ATOM 0 HA PRO A 9 0.864 4.112 14.576 1.00 1.00 H new ATOM 0 HB2 PRO A 9 1.899 2.987 12.239 1.00 1.00 H new ATOM 0 HB3 PRO A 9 2.396 2.430 13.824 1.00 1.00 H new ATOM 0 HG2 PRO A 9 0.370 1.232 11.945 1.00 1.00 H new ATOM 0 HG3 PRO A 9 1.578 0.423 12.923 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -1.034 0.510 13.716 1.00 1.00 H new ATOM 0 HD3 PRO A 9 0.261 0.544 14.896 1.00 1.00 H new ATOM 121 N LEU A 10 -1.190 3.835 12.090 1.00 1.00 N ATOM 122 CA LEU A 10 -1.885 4.611 11.073 1.00 1.00 C ATOM 123 C LEU A 10 -2.494 5.873 11.698 1.00 1.00 C ATOM 124 O LEU A 10 -2.845 5.859 12.879 1.00 1.00 O ATOM 125 CB LEU A 10 -2.997 3.759 10.450 1.00 1.00 C ATOM 126 CG LEU A 10 -2.400 2.477 9.838 1.00 1.00 C ATOM 127 CD1 LEU A 10 -3.499 1.417 9.699 1.00 1.00 C ATOM 128 CD2 LEU A 10 -1.806 2.777 8.454 1.00 1.00 C ATOM 0 H LEU A 10 -1.533 2.882 12.207 1.00 1.00 H new ATOM 0 HA LEU A 10 -1.174 4.905 10.301 1.00 1.00 H new ATOM 0 HB2 LEU A 10 -3.736 3.500 11.208 1.00 1.00 H new ATOM 0 HB3 LEU A 10 -3.517 4.331 9.681 1.00 1.00 H new ATOM 0 HG LEU A 10 -1.611 2.107 10.492 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -3.077 0.510 9.266 1.00 1.00 H new ATOM 0 HD12 LEU A 10 -3.913 1.191 10.682 1.00 1.00 H new ATOM 0 HD13 LEU A 10 -4.289 1.795 9.050 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -1.387 1.863 8.032 1.00 1.00 H new ATOM 0 HD22 LEU A 10 -2.589 3.155 7.796 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -1.020 3.526 8.550 1.00 1.00 H new ATOM 140 N PRO A 11 -2.649 6.962 10.962 1.00 1.00 N ATOM 141 CA PRO A 11 -3.250 8.208 11.533 1.00 1.00 C ATOM 142 C PRO A 11 -4.671 7.965 12.036 1.00 1.00 C ATOM 143 O PRO A 11 -5.434 7.206 11.438 1.00 1.00 O ATOM 144 CB PRO A 11 -3.240 9.214 10.367 1.00 1.00 C ATOM 145 CG PRO A 11 -2.251 8.673 9.389 1.00 1.00 C ATOM 146 CD PRO A 11 -2.282 7.153 9.542 1.00 1.00 C ATOM 0 HA PRO A 11 -2.692 8.569 12.397 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -4.229 9.305 9.917 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -2.952 10.209 10.708 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -2.510 8.966 8.372 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -1.253 9.063 9.589 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -3.011 6.696 8.873 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -1.315 6.706 9.313 1.00 1.00 H new ATOM 154 N VAL A 12 -5.013 8.617 13.135 1.00 1.00 N ATOM 155 CA VAL A 12 -6.342 8.471 13.718 1.00 1.00 C ATOM 156 C VAL A 12 -7.408 9.099 12.823 1.00 1.00 C ATOM 157 O VAL A 12 -8.481 8.528 12.625 1.00 1.00 O ATOM 158 CB VAL A 12 -6.378 9.126 15.099 1.00 1.00 C ATOM 159 CG1 VAL A 12 -5.240 8.569 15.957 1.00 1.00 C ATOM 160 CG2 VAL A 12 -6.208 10.640 14.952 1.00 1.00 C ATOM 0 H VAL A 12 -4.394 9.250 13.641 1.00 1.00 H new ATOM 0 HA VAL A 12 -6.557 7.406 13.812 1.00 1.00 H new ATOM 0 HB VAL A 12 -7.334 8.912 15.576 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -5.265 9.036 16.942 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -5.359 7.491 16.063 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -4.285 8.783 15.478 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -6.234 11.106 15.937 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -5.252 10.854 14.474 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -7.017 11.039 14.340 1.00 1.00 H new ATOM 170 N GLY A 13 -7.107 10.279 12.295 1.00 1.00 N ATOM 171 CA GLY A 13 -8.046 10.985 11.430 1.00 1.00 C ATOM 172 C GLY A 13 -8.252 10.246 10.112 1.00 1.00 C ATOM 173 O GLY A 13 -9.305 10.358 9.485 1.00 1.00 O ATOM 0 H GLY A 13 -6.224 10.766 12.449 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -9.003 11.094 11.941 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -7.675 11.990 11.231 1.00 1.00 H new ATOM 177 N ALA A 14 -7.234 9.503 9.691 1.00 1.00 N ATOM 178 CA ALA A 14 -7.309 8.762 8.436 1.00 1.00 C ATOM 179 C ALA A 14 -8.414 7.712 8.486 1.00 1.00 C ATOM 180 O ALA A 14 -8.611 7.050 9.504 1.00 1.00 O ATOM 181 CB ALA A 14 -5.968 8.081 8.157 1.00 1.00 C ATOM 0 H ALA A 14 -6.354 9.398 10.195 1.00 1.00 H new ATOM 0 HA ALA A 14 -7.538 9.467 7.636 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -6.028 7.529 7.219 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -5.185 8.836 8.084 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -5.734 7.392 8.969 1.00 1.00 H new ATOM 187 N GLN A 15 -9.120 7.560 7.364 1.00 1.00 N ATOM 188 CA GLN A 15 -10.201 6.578 7.255 1.00 1.00 C ATOM 189 C GLN A 15 -9.668 5.330 6.548 1.00 1.00 C ATOM 190 O GLN A 15 -9.492 5.361 5.335 1.00 1.00 O ATOM 191 CB GLN A 15 -11.350 7.167 6.427 1.00 1.00 C ATOM 192 CG GLN A 15 -11.872 8.449 7.092 1.00 1.00 C ATOM 193 CD GLN A 15 -12.894 8.113 8.174 1.00 1.00 C ATOM 194 OE1 GLN A 15 -12.638 8.327 9.358 1.00 1.00 O ATOM 195 NE2 GLN A 15 -14.042 7.593 7.836 1.00 1.00 N ATOM 0 H GLN A 15 -8.962 8.105 6.517 1.00 1.00 H new ATOM 0 HA GLN A 15 -10.563 6.322 8.251 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -11.006 7.386 5.416 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -12.156 6.439 6.339 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -11.041 9.003 7.528 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -12.327 9.095 6.342 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -14.252 7.416 6.854 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -14.729 7.363 8.554 1.00 1.00 H new ATOM 204 N PRO A 16 -9.375 4.255 7.247 1.00 1.00 N ATOM 205 CA PRO A 16 -8.805 3.032 6.602 1.00 1.00 C ATOM 206 C PRO A 16 -9.846 2.230 5.824 1.00 1.00 C ATOM 207 O PRO A 16 -10.622 1.470 6.405 1.00 1.00 O ATOM 208 CB PRO A 16 -8.254 2.237 7.792 1.00 1.00 C ATOM 209 CG PRO A 16 -9.136 2.610 8.939 1.00 1.00 C ATOM 210 CD PRO A 16 -9.552 4.069 8.703 1.00 1.00 C ATOM 0 HA PRO A 16 -8.050 3.274 5.854 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -8.286 1.164 7.600 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -7.214 2.494 7.992 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -10.009 1.959 8.986 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -8.608 2.504 9.887 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -10.584 4.245 9.006 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -8.930 4.759 9.273 1.00 1.00 H new ATOM 218 N LEU A 17 -9.843 2.404 4.504 1.00 1.00 N ATOM 219 CA LEU A 17 -10.777 1.687 3.642 1.00 1.00 C ATOM 220 C LEU A 17 -10.475 0.200 3.659 1.00 1.00 C ATOM 221 O LEU A 17 -11.377 -0.634 3.736 1.00 1.00 O ATOM 222 CB LEU A 17 -10.645 2.186 2.205 1.00 1.00 C ATOM 223 CG LEU A 17 -10.994 3.673 2.132 1.00 1.00 C ATOM 224 CD1 LEU A 17 -10.744 4.176 0.705 1.00 1.00 C ATOM 225 CD2 LEU A 17 -12.469 3.898 2.513 1.00 1.00 C ATOM 0 H LEU A 17 -9.208 3.032 4.011 1.00 1.00 H new ATOM 0 HA LEU A 17 -11.787 1.864 4.012 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -9.628 2.025 1.848 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -11.306 1.617 1.552 1.00 1.00 H new ATOM 0 HG LEU A 17 -10.368 4.224 2.834 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -10.991 5.236 0.644 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -9.695 4.032 0.447 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -11.369 3.618 0.008 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -12.701 4.961 2.456 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -13.111 3.349 1.824 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -12.641 3.543 3.529 1.00 1.00 H new ATOM 237 N ALA A 18 -9.188 -0.118 3.574 1.00 1.00 N ATOM 238 CA ALA A 18 -8.739 -1.509 3.563 1.00 1.00 C ATOM 239 C ALA A 18 -7.359 -1.623 4.197 1.00 1.00 C ATOM 240 O ALA A 18 -6.560 -0.691 4.126 1.00 1.00 O ATOM 241 CB ALA A 18 -8.682 -2.019 2.119 1.00 1.00 C ATOM 0 H ALA A 18 -8.435 0.568 3.512 1.00 1.00 H new ATOM 0 HA ALA A 18 -9.443 -2.111 4.137 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -8.347 -3.056 2.112 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -9.674 -1.955 1.671 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -7.985 -1.409 1.545 1.00 1.00 H new ATOM 247 N THR A 19 -7.080 -2.772 4.813 1.00 1.00 N ATOM 248 CA THR A 19 -5.781 -2.996 5.454 1.00 1.00 C ATOM 249 C THR A 19 -5.321 -4.432 5.241 1.00 1.00 C ATOM 250 O THR A 19 -6.086 -5.375 5.442 1.00 1.00 O ATOM 251 CB THR A 19 -5.878 -2.692 6.950 1.00 1.00 C ATOM 252 OG1 THR A 19 -4.683 -3.114 7.595 1.00 1.00 O ATOM 253 CG2 THR A 19 -7.075 -3.430 7.550 1.00 1.00 C ATOM 0 H THR A 19 -7.728 -3.556 4.882 1.00 1.00 H new ATOM 0 HA THR A 19 -5.049 -2.327 5.001 1.00 1.00 H new ATOM 0 HB THR A 19 -6.010 -1.620 7.095 1.00 1.00 H new ATOM 0 HG1 THR A 19 -4.742 -2.919 8.554 1.00 1.00 H new ATOM 0 HG21 THR A 19 -7.141 -3.211 8.616 1.00 1.00 H new ATOM 0 HG22 THR A 19 -7.989 -3.103 7.055 1.00 1.00 H new ATOM 0 HG23 THR A 19 -6.949 -4.503 7.407 1.00 1.00 H new ATOM 261 N VAL A 20 -4.063 -4.593 4.818 1.00 1.00 N ATOM 262 CA VAL A 20 -3.513 -5.924 4.565 1.00 1.00 C ATOM 263 C VAL A 20 -2.078 -6.022 5.069 1.00 1.00 C ATOM 264 O VAL A 20 -1.386 -5.017 5.215 1.00 1.00 O ATOM 265 CB VAL A 20 -3.547 -6.210 3.058 1.00 1.00 C ATOM 266 CG1 VAL A 20 -2.784 -7.507 2.747 1.00 1.00 C ATOM 267 CG2 VAL A 20 -5.005 -6.330 2.588 1.00 1.00 C ATOM 0 H VAL A 20 -3.414 -3.825 4.646 1.00 1.00 H new ATOM 0 HA VAL A 20 -4.118 -6.658 5.098 1.00 1.00 H new ATOM 0 HB VAL A 20 -3.066 -5.388 2.528 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -2.815 -7.699 1.675 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -1.747 -7.405 3.067 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -3.248 -8.338 3.278 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -5.027 -6.533 1.517 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -5.493 -7.145 3.122 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -5.531 -5.397 2.791 1.00 1.00 H new ATOM 277 N GLU A 21 -1.631 -7.256 5.302 1.00 1.00 N ATOM 278 CA GLU A 21 -0.265 -7.504 5.757 1.00 1.00 C ATOM 279 C GLU A 21 0.555 -8.081 4.613 1.00 1.00 C ATOM 280 O GLU A 21 0.198 -9.109 4.038 1.00 1.00 O ATOM 281 CB GLU A 21 -0.266 -8.489 6.927 1.00 1.00 C ATOM 282 CG GLU A 21 -0.888 -7.820 8.154 1.00 1.00 C ATOM 283 CD GLU A 21 -0.951 -8.812 9.311 1.00 1.00 C ATOM 284 OE1 GLU A 21 -0.518 -9.937 9.126 1.00 1.00 O ATOM 285 OE2 GLU A 21 -1.433 -8.430 10.364 1.00 1.00 O ATOM 0 H GLU A 21 -2.195 -8.098 5.183 1.00 1.00 H new ATOM 0 HA GLU A 21 0.173 -6.562 6.086 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -0.829 -9.384 6.663 1.00 1.00 H new ATOM 0 HB3 GLU A 21 0.752 -8.807 7.150 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -0.299 -6.949 8.442 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -1.890 -7.462 7.915 1.00 1.00 H new ATOM 292 N GLY A 22 1.654 -7.411 4.279 1.00 1.00 N ATOM 293 CA GLY A 22 2.526 -7.857 3.191 1.00 1.00 C ATOM 294 C GLY A 22 3.984 -7.840 3.624 1.00 1.00 C ATOM 295 O GLY A 22 4.288 -7.848 4.816 1.00 1.00 O ATOM 0 H GLY A 22 1.964 -6.558 4.744 1.00 1.00 H new ATOM 0 HA2 GLY A 22 2.245 -8.864 2.884 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.392 -7.210 2.324 1.00 1.00 H new ATOM 299 N MET A 23 4.888 -7.829 2.648 1.00 1.00 N ATOM 300 CA MET A 23 6.320 -7.818 2.935 1.00 1.00 C ATOM 301 C MET A 23 7.048 -6.873 1.988 1.00 1.00 C ATOM 302 O MET A 23 6.908 -6.969 0.769 1.00 1.00 O ATOM 303 CB MET A 23 6.883 -9.229 2.782 1.00 1.00 C ATOM 304 CG MET A 23 6.257 -10.123 3.848 1.00 1.00 C ATOM 305 SD MET A 23 6.890 -11.808 3.692 1.00 1.00 S ATOM 306 CE MET A 23 5.722 -12.582 4.840 1.00 1.00 C ATOM 0 H MET A 23 4.656 -7.827 1.655 1.00 1.00 H new ATOM 0 HA MET A 23 6.469 -7.471 3.958 1.00 1.00 H new ATOM 0 HB2 MET A 23 6.665 -9.617 1.787 1.00 1.00 H new ATOM 0 HB3 MET A 23 7.968 -9.217 2.888 1.00 1.00 H new ATOM 0 HG2 MET A 23 6.482 -9.732 4.840 1.00 1.00 H new ATOM 0 HG3 MET A 23 5.172 -10.122 3.743 1.00 1.00 H new ATOM 0 HE1 MET A 23 5.929 -13.650 4.904 1.00 1.00 H new ATOM 0 HE2 MET A 23 5.829 -12.132 5.827 1.00 1.00 H new ATOM 0 HE3 MET A 23 4.704 -12.430 4.481 1.00 1.00 H new ATOM 316 N GLU A 24 7.825 -5.963 2.561 1.00 1.00 N ATOM 317 CA GLU A 24 8.582 -4.994 1.776 1.00 1.00 C ATOM 318 C GLU A 24 9.933 -5.569 1.372 1.00 1.00 C ATOM 319 O GLU A 24 10.716 -5.993 2.221 1.00 1.00 O ATOM 320 CB GLU A 24 8.783 -3.715 2.593 1.00 1.00 C ATOM 321 CG GLU A 24 9.568 -2.694 1.771 1.00 1.00 C ATOM 322 CD GLU A 24 9.624 -1.361 2.512 1.00 1.00 C ATOM 323 OE1 GLU A 24 9.277 -1.340 3.682 1.00 1.00 O ATOM 324 OE2 GLU A 24 10.015 -0.382 1.899 1.00 1.00 O ATOM 0 H GLU A 24 7.948 -5.875 3.570 1.00 1.00 H new ATOM 0 HA GLU A 24 8.021 -4.762 0.871 1.00 1.00 H new ATOM 0 HB2 GLU A 24 7.817 -3.300 2.879 1.00 1.00 H new ATOM 0 HB3 GLU A 24 9.318 -3.942 3.515 1.00 1.00 H new ATOM 0 HG2 GLU A 24 10.578 -3.061 1.588 1.00 1.00 H new ATOM 0 HG3 GLU A 24 9.097 -2.559 0.797 1.00 1.00 H new ATOM 331 N MET A 25 10.201 -5.584 0.066 1.00 1.00 N ATOM 332 CA MET A 25 11.464 -6.113 -0.454 1.00 1.00 C ATOM 333 C MET A 25 12.362 -4.982 -0.941 1.00 1.00 C ATOM 334 O MET A 25 11.907 -4.055 -1.610 1.00 1.00 O ATOM 335 CB MET A 25 11.188 -7.058 -1.627 1.00 1.00 C ATOM 336 CG MET A 25 10.439 -8.298 -1.135 1.00 1.00 C ATOM 337 SD MET A 25 10.181 -9.443 -2.517 1.00 1.00 S ATOM 338 CE MET A 25 8.910 -8.498 -3.396 1.00 1.00 C ATOM 0 H MET A 25 9.563 -5.237 -0.650 1.00 1.00 H new ATOM 0 HA MET A 25 11.964 -6.650 0.352 1.00 1.00 H new ATOM 0 HB2 MET A 25 10.599 -6.545 -2.387 1.00 1.00 H new ATOM 0 HB3 MET A 25 12.127 -7.352 -2.096 1.00 1.00 H new ATOM 0 HG2 MET A 25 11.007 -8.789 -0.345 1.00 1.00 H new ATOM 0 HG3 MET A 25 9.480 -8.009 -0.705 1.00 1.00 H new ATOM 0 HE1 MET A 25 8.339 -9.167 -4.039 1.00 1.00 H new ATOM 0 HE2 MET A 25 8.241 -8.029 -2.674 1.00 1.00 H new ATOM 0 HE3 MET A 25 9.385 -7.728 -4.004 1.00 1.00 H new ATOM 348 N LYS A 26 13.652 -5.075 -0.620 1.00 1.00 N ATOM 349 CA LYS A 26 14.627 -4.069 -1.047 1.00 1.00 C ATOM 350 C LYS A 26 15.875 -4.754 -1.584 1.00 1.00 C ATOM 351 O LYS A 26 16.232 -5.850 -1.150 1.00 1.00 O ATOM 352 CB LYS A 26 15.011 -3.143 0.113 1.00 1.00 C ATOM 353 CG LYS A 26 13.811 -2.286 0.505 1.00 1.00 C ATOM 354 CD LYS A 26 14.212 -1.352 1.649 1.00 1.00 C ATOM 355 CE LYS A 26 13.014 -0.491 2.046 1.00 1.00 C ATOM 356 NZ LYS A 26 13.402 0.408 3.171 1.00 1.00 N ATOM 0 H LYS A 26 14.047 -5.835 -0.066 1.00 1.00 H new ATOM 0 HA LYS A 26 14.170 -3.467 -1.832 1.00 1.00 H new ATOM 0 HB2 LYS A 26 15.344 -3.733 0.967 1.00 1.00 H new ATOM 0 HB3 LYS A 26 15.846 -2.506 -0.179 1.00 1.00 H new ATOM 0 HG2 LYS A 26 13.468 -1.705 -0.351 1.00 1.00 H new ATOM 0 HG3 LYS A 26 12.980 -2.921 0.812 1.00 1.00 H new ATOM 0 HD2 LYS A 26 14.555 -1.934 2.505 1.00 1.00 H new ATOM 0 HD3 LYS A 26 15.043 -0.718 1.341 1.00 1.00 H new ATOM 0 HE2 LYS A 26 12.678 0.099 1.194 1.00 1.00 H new ATOM 0 HE3 LYS A 26 12.179 -1.125 2.344 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 12.588 0.995 3.443 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 13.703 -0.165 3.985 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 14.186 1.022 2.871 1.00 1.00 H new ATOM 370 N GLY A 27 16.526 -4.102 -2.536 1.00 1.00 N ATOM 371 CA GLY A 27 17.737 -4.640 -3.151 1.00 1.00 C ATOM 372 C GLY A 27 18.601 -5.426 -2.159 1.00 1.00 C ATOM 373 O GLY A 27 18.778 -6.636 -2.303 1.00 1.00 O ATOM 0 H GLY A 27 16.237 -3.195 -2.903 1.00 1.00 H new ATOM 0 HA2 GLY A 27 17.461 -5.290 -3.981 1.00 1.00 H new ATOM 0 HA3 GLY A 27 18.323 -3.821 -3.568 1.00 1.00 H new ATOM 377 N PRO A 28 19.162 -4.760 -1.181 1.00 1.00 N ATOM 378 CA PRO A 28 20.059 -5.406 -0.168 1.00 1.00 C ATOM 379 C PRO A 28 19.363 -6.503 0.659 1.00 1.00 C ATOM 380 O PRO A 28 19.995 -7.491 1.030 1.00 1.00 O ATOM 381 CB PRO A 28 20.522 -4.224 0.713 1.00 1.00 C ATOM 382 CG PRO A 28 19.494 -3.157 0.508 1.00 1.00 C ATOM 383 CD PRO A 28 19.003 -3.319 -0.929 1.00 1.00 C ATOM 0 HA PRO A 28 20.884 -5.937 -0.642 1.00 1.00 H new ATOM 0 HB2 PRO A 28 20.584 -4.515 1.762 1.00 1.00 H new ATOM 0 HB3 PRO A 28 21.513 -3.878 0.419 1.00 1.00 H new ATOM 0 HG2 PRO A 28 18.672 -3.265 1.216 1.00 1.00 H new ATOM 0 HG3 PRO A 28 19.922 -2.167 0.665 1.00 1.00 H new ATOM 0 HD2 PRO A 28 17.965 -3.004 -1.037 1.00 1.00 H new ATOM 0 HD3 PRO A 28 19.592 -2.722 -1.625 1.00 1.00 H new ATOM 391 N LEU A 29 18.067 -6.336 0.938 1.00 1.00 N ATOM 392 CA LEU A 29 17.323 -7.338 1.715 1.00 1.00 C ATOM 393 C LEU A 29 15.839 -6.976 1.775 1.00 1.00 C ATOM 394 O LEU A 29 15.406 -6.020 1.141 1.00 1.00 O ATOM 395 CB LEU A 29 17.886 -7.453 3.149 1.00 1.00 C ATOM 396 CG LEU A 29 18.265 -6.073 3.705 1.00 1.00 C ATOM 397 CD1 LEU A 29 17.020 -5.189 3.832 1.00 1.00 C ATOM 398 CD2 LEU A 29 18.900 -6.251 5.089 1.00 1.00 C ATOM 0 H LEU A 29 17.516 -5.530 0.644 1.00 1.00 H new ATOM 0 HA LEU A 29 17.437 -8.300 1.215 1.00 1.00 H new ATOM 0 HB2 LEU A 29 17.145 -7.919 3.798 1.00 1.00 H new ATOM 0 HB3 LEU A 29 18.762 -8.102 3.148 1.00 1.00 H new ATOM 0 HG LEU A 29 18.969 -5.595 3.024 1.00 1.00 H new ATOM 0 HD11 LEU A 29 17.305 -4.214 4.227 1.00 1.00 H new ATOM 0 HD12 LEU A 29 16.562 -5.063 2.851 1.00 1.00 H new ATOM 0 HD13 LEU A 29 16.307 -5.660 4.508 1.00 1.00 H new ATOM 0 HD21 LEU A 29 19.173 -5.276 5.492 1.00 1.00 H new ATOM 0 HD22 LEU A 29 18.187 -6.733 5.757 1.00 1.00 H new ATOM 0 HD23 LEU A 29 19.793 -6.871 5.003 1.00 1.00 H new ATOM 410 N ARG A 30 15.060 -7.741 2.547 1.00 1.00 N ATOM 411 CA ARG A 30 13.625 -7.475 2.687 1.00 1.00 C ATOM 412 C ARG A 30 13.243 -7.346 4.159 1.00 1.00 C ATOM 413 O ARG A 30 14.033 -7.658 5.050 1.00 1.00 O ATOM 414 CB ARG A 30 12.808 -8.594 2.040 1.00 1.00 C ATOM 415 CG ARG A 30 13.143 -9.939 2.687 1.00 1.00 C ATOM 416 CD ARG A 30 12.174 -10.991 2.164 1.00 1.00 C ATOM 417 NE ARG A 30 12.321 -11.148 0.720 1.00 1.00 N ATOM 418 CZ ARG A 30 11.481 -11.903 0.017 1.00 1.00 C ATOM 419 NH1 ARG A 30 10.545 -12.584 0.622 1.00 1.00 N ATOM 420 NH2 ARG A 30 11.598 -11.974 -1.281 1.00 1.00 N ATOM 0 H ARG A 30 15.396 -8.543 3.080 1.00 1.00 H new ATOM 0 HA ARG A 30 13.405 -6.535 2.181 1.00 1.00 H new ATOM 0 HB2 ARG A 30 11.744 -8.386 2.149 1.00 1.00 H new ATOM 0 HB3 ARG A 30 13.017 -8.635 0.971 1.00 1.00 H new ATOM 0 HG2 ARG A 30 14.170 -10.224 2.456 1.00 1.00 H new ATOM 0 HG3 ARG A 30 13.069 -9.864 3.772 1.00 1.00 H new ATOM 0 HD2 ARG A 30 12.360 -11.944 2.660 1.00 1.00 H new ATOM 0 HD3 ARG A 30 11.150 -10.702 2.402 1.00 1.00 H new ATOM 0 HE ARG A 30 13.083 -10.669 0.240 1.00 1.00 H new ATOM 0 HH11 ARG A 30 10.456 -12.538 1.637 1.00 1.00 H new ATOM 0 HH12 ARG A 30 9.903 -13.162 0.079 1.00 1.00 H new ATOM 0 HH21 ARG A 30 12.333 -11.451 -1.756 1.00 1.00 H new ATOM 0 HH22 ARG A 30 10.954 -12.553 -1.820 1.00 1.00 H new ATOM 434 N GLU A 31 12.026 -6.876 4.401 1.00 1.00 N ATOM 435 CA GLU A 31 11.530 -6.694 5.762 1.00 1.00 C ATOM 436 C GLU A 31 10.003 -6.783 5.764 1.00 1.00 C ATOM 437 O GLU A 31 9.363 -6.326 4.819 1.00 1.00 O ATOM 438 CB GLU A 31 11.959 -5.319 6.278 1.00 1.00 C ATOM 439 CG GLU A 31 11.328 -4.235 5.398 1.00 1.00 C ATOM 440 CD GLU A 31 12.003 -2.891 5.646 1.00 1.00 C ATOM 441 OE1 GLU A 31 13.062 -2.669 5.080 1.00 1.00 O ATOM 442 OE2 GLU A 31 11.450 -2.100 6.393 1.00 1.00 O ATOM 0 H GLU A 31 11.362 -6.613 3.672 1.00 1.00 H new ATOM 0 HA GLU A 31 11.941 -7.471 6.407 1.00 1.00 H new ATOM 0 HB2 GLU A 31 11.646 -5.192 7.314 1.00 1.00 H new ATOM 0 HB3 GLU A 31 13.045 -5.233 6.260 1.00 1.00 H new ATOM 0 HG2 GLU A 31 11.424 -4.509 4.347 1.00 1.00 H new ATOM 0 HG3 GLU A 31 10.262 -4.159 5.612 1.00 1.00 H new ATOM 449 N PRO A 32 9.394 -7.346 6.780 1.00 1.00 N ATOM 450 CA PRO A 32 7.908 -7.463 6.830 1.00 1.00 C ATOM 451 C PRO A 32 7.249 -6.087 6.864 1.00 1.00 C ATOM 452 O PRO A 32 7.801 -5.136 7.415 1.00 1.00 O ATOM 453 CB PRO A 32 7.636 -8.269 8.113 1.00 1.00 C ATOM 454 CG PRO A 32 8.861 -8.092 8.954 1.00 1.00 C ATOM 455 CD PRO A 32 10.027 -7.922 7.978 1.00 1.00 C ATOM 0 HA PRO A 32 7.492 -7.952 5.949 1.00 1.00 H new ATOM 0 HB2 PRO A 32 6.748 -7.902 8.628 1.00 1.00 H new ATOM 0 HB3 PRO A 32 7.462 -9.321 7.888 1.00 1.00 H new ATOM 0 HG2 PRO A 32 8.766 -7.221 9.602 1.00 1.00 H new ATOM 0 HG3 PRO A 32 9.017 -8.955 9.601 1.00 1.00 H new ATOM 0 HD2 PRO A 32 10.795 -7.263 8.382 1.00 1.00 H new ATOM 0 HD3 PRO A 32 10.508 -8.875 7.758 1.00 1.00 H new ATOM 463 N CYS A 33 6.077 -5.985 6.247 1.00 1.00 N ATOM 464 CA CYS A 33 5.359 -4.714 6.195 1.00 1.00 C ATOM 465 C CYS A 33 3.865 -4.950 6.013 1.00 1.00 C ATOM 466 O CYS A 33 3.398 -6.085 6.061 1.00 1.00 O ATOM 467 CB CYS A 33 5.896 -3.874 5.033 1.00 1.00 C ATOM 468 SG CYS A 33 5.307 -4.557 3.462 1.00 1.00 S ATOM 0 H CYS A 33 5.606 -6.759 5.779 1.00 1.00 H new ATOM 0 HA CYS A 33 5.513 -4.183 7.134 1.00 1.00 H new ATOM 0 HB2 CYS A 33 5.567 -2.840 5.137 1.00 1.00 H new ATOM 0 HB3 CYS A 33 6.986 -3.865 5.051 1.00 1.00 H new ATOM 0 HG CYS A 33 4.789 -3.606 2.742 1.00 1.00 H new ATOM 474 N ALA A 34 3.119 -3.870 5.804 1.00 1.00 N ATOM 475 CA ALA A 34 1.675 -3.973 5.608 1.00 1.00 C ATOM 476 C ALA A 34 1.181 -2.807 4.761 1.00 1.00 C ATOM 477 O ALA A 34 1.592 -1.663 4.964 1.00 1.00 O ATOM 478 CB ALA A 34 0.959 -3.985 6.959 1.00 1.00 C ATOM 0 H ALA A 34 3.486 -2.919 5.766 1.00 1.00 H new ATOM 0 HA ALA A 34 1.454 -4.905 5.088 1.00 1.00 H new ATOM 0 HB1 ALA A 34 -0.117 -4.062 6.800 1.00 1.00 H new ATOM 0 HB2 ALA A 34 1.301 -4.838 7.545 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.181 -3.063 7.497 1.00 1.00 H new ATOM 484 N LEU A 35 0.301 -3.105 3.805 1.00 1.00 N ATOM 485 CA LEU A 35 -0.243 -2.077 2.919 1.00 1.00 C ATOM 486 C LEU A 35 -1.642 -1.694 3.372 1.00 1.00 C ATOM 487 O LEU A 35 -2.524 -2.547 3.471 1.00 1.00 O ATOM 488 CB LEU A 35 -0.303 -2.614 1.487 1.00 1.00 C ATOM 489 CG LEU A 35 1.038 -3.262 1.122 1.00 1.00 C ATOM 490 CD1 LEU A 35 1.028 -3.661 -0.357 1.00 1.00 C ATOM 491 CD2 LEU A 35 2.181 -2.276 1.380 1.00 1.00 C ATOM 0 H LEU A 35 -0.049 -4.046 3.625 1.00 1.00 H new ATOM 0 HA LEU A 35 0.401 -1.198 2.954 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -1.108 -3.344 1.395 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -0.527 -1.804 0.793 1.00 1.00 H new ATOM 0 HG LEU A 35 1.186 -4.149 1.737 1.00 1.00 H new ATOM 0 HD11 LEU A 35 1.981 -4.122 -0.616 1.00 1.00 H new ATOM 0 HD12 LEU A 35 0.221 -4.371 -0.537 1.00 1.00 H new ATOM 0 HD13 LEU A 35 0.874 -2.774 -0.972 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.130 -2.743 1.119 1.00 1.00 H new ATOM 0 HD22 LEU A 35 2.036 -1.383 0.771 1.00 1.00 H new ATOM 0 HD23 LEU A 35 2.191 -1.999 2.434 1.00 1.00 H new ATOM 503 N THR A 36 -1.844 -0.404 3.655 1.00 1.00 N ATOM 504 CA THR A 36 -3.149 0.077 4.106 1.00 1.00 C ATOM 505 C THR A 36 -3.629 1.258 3.279 1.00 1.00 C ATOM 506 O THR A 36 -2.965 2.291 3.196 1.00 1.00 O ATOM 507 CB THR A 36 -3.067 0.477 5.582 1.00 1.00 C ATOM 508 OG1 THR A 36 -2.740 -0.665 6.361 1.00 1.00 O ATOM 509 CG2 THR A 36 -4.411 1.044 6.044 1.00 1.00 C ATOM 0 H THR A 36 -1.127 0.318 3.580 1.00 1.00 H new ATOM 0 HA THR A 36 -3.868 -0.732 3.979 1.00 1.00 H new ATOM 0 HB THR A 36 -2.297 1.239 5.706 1.00 1.00 H new ATOM 0 HG1 THR A 36 -2.685 -0.412 7.306 1.00 1.00 H new ATOM 0 HG21 THR A 36 -4.345 1.326 7.095 1.00 1.00 H new ATOM 0 HG22 THR A 36 -4.660 1.922 5.447 1.00 1.00 H new ATOM 0 HG23 THR A 36 -5.187 0.289 5.919 1.00 1.00 H new ATOM 517 N LEU A 37 -4.813 1.100 2.692 1.00 1.00 N ATOM 518 CA LEU A 37 -5.422 2.155 1.893 1.00 1.00 C ATOM 519 C LEU A 37 -6.369 2.950 2.775 1.00 1.00 C ATOM 520 O LEU A 37 -7.290 2.389 3.369 1.00 1.00 O ATOM 521 CB LEU A 37 -6.186 1.537 0.714 1.00 1.00 C ATOM 522 CG LEU A 37 -6.917 2.629 -0.086 1.00 1.00 C ATOM 523 CD1 LEU A 37 -5.917 3.696 -0.558 1.00 1.00 C ATOM 524 CD2 LEU A 37 -7.620 1.990 -1.300 1.00 1.00 C ATOM 0 H LEU A 37 -5.370 0.248 2.756 1.00 1.00 H new ATOM 0 HA LEU A 37 -4.651 2.816 1.497 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -5.493 1.004 0.063 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -6.905 0.805 1.082 1.00 1.00 H new ATOM 0 HG LEU A 37 -7.661 3.106 0.552 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -6.445 4.464 -1.123 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -5.434 4.150 0.307 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -5.163 3.232 -1.193 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -8.139 2.762 -1.868 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -6.879 1.507 -1.937 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -8.340 1.248 -0.955 1.00 1.00 H new ATOM 536 N ALA A 38 -6.130 4.255 2.876 1.00 1.00 N ATOM 537 CA ALA A 38 -6.964 5.111 3.716 1.00 1.00 C ATOM 538 C ALA A 38 -7.352 6.390 2.987 1.00 1.00 C ATOM 539 O ALA A 38 -6.622 6.876 2.126 1.00 1.00 O ATOM 540 CB ALA A 38 -6.211 5.461 5.002 1.00 1.00 C ATOM 0 H ALA A 38 -5.374 4.739 2.392 1.00 1.00 H new ATOM 0 HA ALA A 38 -7.876 4.566 3.957 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -6.835 6.100 5.627 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -5.971 4.546 5.544 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -5.289 5.987 4.752 1.00 1.00 H new ATOM 546 N GLN A 39 -8.514 6.929 3.350 1.00 1.00 N ATOM 547 CA GLN A 39 -9.024 8.162 2.749 1.00 1.00 C ATOM 548 C GLN A 39 -8.986 9.289 3.779 1.00 1.00 C ATOM 549 O GLN A 39 -9.579 9.174 4.850 1.00 1.00 O ATOM 550 CB GLN A 39 -10.469 7.942 2.285 1.00 1.00 C ATOM 551 CG GLN A 39 -10.989 9.181 1.554 1.00 1.00 C ATOM 552 CD GLN A 39 -12.467 8.994 1.233 1.00 1.00 C ATOM 553 OE1 GLN A 39 -12.837 8.064 0.518 1.00 1.00 O ATOM 554 NE2 GLN A 39 -13.340 9.819 1.740 1.00 1.00 N ATOM 0 H GLN A 39 -9.125 6.529 4.062 1.00 1.00 H new ATOM 0 HA GLN A 39 -8.403 8.433 1.895 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -10.518 7.076 1.625 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -11.104 7.725 3.144 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -10.849 10.068 2.172 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -10.423 9.340 0.636 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -13.030 10.589 2.333 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -14.333 9.694 1.544 1.00 1.00 H new ATOM 563 N ARG A 40 -8.285 10.381 3.461 1.00 1.00 N ATOM 564 CA ARG A 40 -8.189 11.514 4.387 1.00 1.00 C ATOM 565 C ARG A 40 -8.424 12.835 3.656 1.00 1.00 C ATOM 566 O ARG A 40 -7.944 13.036 2.542 1.00 1.00 O ATOM 567 CB ARG A 40 -6.812 11.522 5.061 1.00 1.00 C ATOM 568 CG ARG A 40 -6.763 12.626 6.118 1.00 1.00 C ATOM 569 CD ARG A 40 -5.484 12.484 6.946 1.00 1.00 C ATOM 570 NE ARG A 40 -4.306 12.742 6.123 1.00 1.00 N ATOM 571 CZ ARG A 40 -3.080 12.507 6.583 1.00 1.00 C ATOM 572 NH1 ARG A 40 -2.916 12.005 7.778 1.00 1.00 N ATOM 573 NH2 ARG A 40 -2.042 12.773 5.841 1.00 1.00 N ATOM 0 H ARG A 40 -7.782 10.505 2.582 1.00 1.00 H new ATOM 0 HA ARG A 40 -8.961 11.404 5.149 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -6.617 10.554 5.523 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -6.033 11.683 4.316 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -6.792 13.605 5.639 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -7.637 12.563 6.766 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -5.508 13.181 7.784 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -5.427 11.480 7.367 1.00 1.00 H new ATOM 0 HE ARG A 40 -4.425 13.109 5.179 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -3.728 11.793 8.358 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -1.976 11.825 8.131 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -2.169 13.162 4.907 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -1.102 12.592 6.195 1.00 1.00 H new ATOM 587 N ASN A 41 -9.175 13.725 4.304 1.00 1.00 N ATOM 588 CA ASN A 41 -9.492 15.034 3.738 1.00 1.00 C ATOM 589 C ASN A 41 -10.225 14.907 2.403 1.00 1.00 C ATOM 590 O ASN A 41 -10.058 15.744 1.515 1.00 1.00 O ATOM 591 CB ASN A 41 -8.212 15.853 3.544 1.00 1.00 C ATOM 592 CG ASN A 41 -7.648 16.272 4.898 1.00 1.00 C ATOM 593 OD1 ASN A 41 -8.463 16.623 5.855 1.00 1.00 O flip ATOM 594 ND2 ASN A 41 -6.431 16.288 5.086 1.00 1.00 N flip ATOM 0 H ASN A 41 -9.577 13.561 5.227 1.00 1.00 H new ATOM 0 HA ASN A 41 -10.150 15.544 4.442 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -7.473 15.264 3.000 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -8.424 16.736 2.940 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -5.796 16.013 4.337 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -6.058 16.576 5.991 1.00 1.00 H new ATOM 601 N GLY A 42 -11.049 13.870 2.268 1.00 1.00 N ATOM 602 CA GLY A 42 -11.806 13.671 1.033 1.00 1.00 C ATOM 603 C GLY A 42 -10.885 13.266 -0.110 1.00 1.00 C ATOM 604 O GLY A 42 -11.214 13.450 -1.283 1.00 1.00 O ATOM 0 H GLY A 42 -11.209 13.164 2.986 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.563 12.901 1.186 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -12.333 14.589 0.773 1.00 1.00 H new ATOM 608 N GLN A 43 -9.727 12.722 0.244 1.00 1.00 N ATOM 609 CA GLN A 43 -8.734 12.292 -0.737 1.00 1.00 C ATOM 610 C GLN A 43 -8.262 10.878 -0.419 1.00 1.00 C ATOM 611 O GLN A 43 -8.334 10.439 0.723 1.00 1.00 O ATOM 612 CB GLN A 43 -7.549 13.263 -0.700 1.00 1.00 C ATOM 613 CG GLN A 43 -6.391 12.722 -1.538 1.00 1.00 C ATOM 614 CD GLN A 43 -5.312 13.792 -1.675 1.00 1.00 C ATOM 615 OE1 GLN A 43 -5.578 14.970 -1.443 1.00 1.00 O ATOM 616 NE2 GLN A 43 -4.106 13.454 -2.037 1.00 1.00 N ATOM 0 H GLN A 43 -9.449 12.566 1.213 1.00 1.00 H new ATOM 0 HA GLN A 43 -9.178 12.292 -1.733 1.00 1.00 H new ATOM 0 HB2 GLN A 43 -7.857 14.237 -1.080 1.00 1.00 H new ATOM 0 HB3 GLN A 43 -7.223 13.410 0.330 1.00 1.00 H new ATOM 0 HG2 GLN A 43 -5.975 11.830 -1.069 1.00 1.00 H new ATOM 0 HG3 GLN A 43 -6.750 12.425 -2.524 1.00 1.00 H new ATOM 0 HE21 GLN A 43 -3.886 12.477 -2.229 1.00 1.00 H new ATOM 0 HE22 GLN A 43 -3.382 14.167 -2.128 1.00 1.00 H new ATOM 625 N TYR A 44 -7.772 10.173 -1.436 1.00 1.00 N ATOM 626 CA TYR A 44 -7.279 8.808 -1.247 1.00 1.00 C ATOM 627 C TYR A 44 -5.773 8.816 -1.021 1.00 1.00 C ATOM 628 O TYR A 44 -5.037 9.502 -1.729 1.00 1.00 O ATOM 629 CB TYR A 44 -7.596 7.958 -2.480 1.00 1.00 C ATOM 630 CG TYR A 44 -9.084 7.727 -2.580 1.00 1.00 C ATOM 631 CD1 TYR A 44 -9.901 8.680 -3.201 1.00 1.00 C ATOM 632 CD2 TYR A 44 -9.649 6.558 -2.051 1.00 1.00 C ATOM 633 CE1 TYR A 44 -11.281 8.464 -3.294 1.00 1.00 C ATOM 634 CE2 TYR A 44 -11.028 6.342 -2.147 1.00 1.00 C ATOM 635 CZ TYR A 44 -11.845 7.295 -2.767 1.00 1.00 C ATOM 636 OH TYR A 44 -13.206 7.082 -2.862 1.00 1.00 O ATOM 0 H TYR A 44 -7.705 10.520 -2.393 1.00 1.00 H new ATOM 0 HA TYR A 44 -7.773 8.383 -0.374 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -7.236 8.459 -3.379 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -7.075 7.003 -2.417 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -9.467 9.581 -3.608 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -9.020 5.824 -1.569 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -11.911 9.199 -3.772 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -11.462 5.440 -1.743 1.00 1.00 H new ATOM 0 HH TYR A 44 -13.432 6.223 -2.448 1.00 1.00 H new ATOM 646 N GLU A 45 -5.320 8.046 -0.036 1.00 1.00 N ATOM 647 CA GLU A 45 -3.893 7.961 0.269 1.00 1.00 C ATOM 648 C GLU A 45 -3.533 6.553 0.735 1.00 1.00 C ATOM 649 O GLU A 45 -4.284 5.924 1.479 1.00 1.00 O ATOM 650 CB GLU A 45 -3.513 8.989 1.342 1.00 1.00 C ATOM 651 CG GLU A 45 -4.275 8.713 2.641 1.00 1.00 C ATOM 652 CD GLU A 45 -3.862 9.723 3.706 1.00 1.00 C ATOM 653 OE1 GLU A 45 -3.658 10.874 3.353 1.00 1.00 O ATOM 654 OE2 GLU A 45 -3.752 9.334 4.855 1.00 1.00 O ATOM 0 H GLU A 45 -5.916 7.474 0.563 1.00 1.00 H new ATOM 0 HA GLU A 45 -3.331 8.182 -0.639 1.00 1.00 H new ATOM 0 HB2 GLU A 45 -2.440 8.950 1.528 1.00 1.00 H new ATOM 0 HB3 GLU A 45 -3.739 9.995 0.987 1.00 1.00 H new ATOM 0 HG2 GLU A 45 -5.349 8.776 2.464 1.00 1.00 H new ATOM 0 HG3 GLU A 45 -4.068 7.700 2.987 1.00 1.00 H new ATOM 661 N LEU A 46 -2.381 6.058 0.281 1.00 1.00 N ATOM 662 CA LEU A 46 -1.923 4.713 0.643 1.00 1.00 C ATOM 663 C LEU A 46 -0.793 4.808 1.663 1.00 1.00 C ATOM 664 O LEU A 46 0.249 5.408 1.394 1.00 1.00 O ATOM 665 CB LEU A 46 -1.422 3.998 -0.619 1.00 1.00 C ATOM 666 CG LEU A 46 -1.337 2.477 -0.394 1.00 1.00 C ATOM 667 CD1 LEU A 46 -1.063 1.785 -1.736 1.00 1.00 C ATOM 668 CD2 LEU A 46 -0.205 2.143 0.593 1.00 1.00 C ATOM 0 H LEU A 46 -1.748 6.566 -0.337 1.00 1.00 H new ATOM 0 HA LEU A 46 -2.748 4.151 1.081 1.00 1.00 H new ATOM 0 HB2 LEU A 46 -2.093 4.209 -1.452 1.00 1.00 H new ATOM 0 HB3 LEU A 46 -0.441 4.384 -0.895 1.00 1.00 H new ATOM 0 HG LEU A 46 -2.281 2.126 0.023 1.00 1.00 H new ATOM 0 HD11 LEU A 46 -1.002 0.707 -1.584 1.00 1.00 H new ATOM 0 HD12 LEU A 46 -1.872 2.008 -2.432 1.00 1.00 H new ATOM 0 HD13 LEU A 46 -0.121 2.148 -2.147 1.00 1.00 H new ATOM 0 HD21 LEU A 46 -0.158 1.064 0.741 1.00 1.00 H new ATOM 0 HD22 LEU A 46 0.745 2.496 0.190 1.00 1.00 H new ATOM 0 HD23 LEU A 46 -0.398 2.632 1.548 1.00 1.00 H new ATOM 680 N ILE A 47 -1.002 4.208 2.832 1.00 1.00 N ATOM 681 CA ILE A 47 0.008 4.221 3.891 1.00 1.00 C ATOM 682 C ILE A 47 0.698 2.867 3.980 1.00 1.00 C ATOM 683 O ILE A 47 0.038 1.836 4.104 1.00 1.00 O ATOM 684 CB ILE A 47 -0.644 4.516 5.244 1.00 1.00 C ATOM 685 CG1 ILE A 47 -1.359 5.870 5.195 1.00 1.00 C ATOM 686 CG2 ILE A 47 0.440 4.552 6.328 1.00 1.00 C ATOM 687 CD1 ILE A 47 -2.224 6.048 6.451 1.00 1.00 C ATOM 0 H ILE A 47 -1.858 3.708 3.071 1.00 1.00 H new ATOM 0 HA ILE A 47 0.736 4.996 3.651 1.00 1.00 H new ATOM 0 HB ILE A 47 -1.371 3.736 5.472 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -0.628 6.675 5.129 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -1.981 5.931 4.302 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -0.019 4.762 7.294 1.00 1.00 H new ATOM 0 HG22 ILE A 47 0.946 3.588 6.368 1.00 1.00 H new ATOM 0 HG23 ILE A 47 1.164 5.332 6.093 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -2.730 7.013 6.411 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -2.966 5.251 6.498 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -1.591 6.007 7.337 1.00 1.00 H new ATOM 699 N ILE A 48 2.029 2.871 3.931 1.00 1.00 N ATOM 700 CA ILE A 48 2.792 1.628 4.026 1.00 1.00 C ATOM 701 C ILE A 48 3.433 1.526 5.404 1.00 1.00 C ATOM 702 O ILE A 48 4.268 2.353 5.774 1.00 1.00 O ATOM 703 CB ILE A 48 3.877 1.593 2.947 1.00 1.00 C ATOM 704 CG1 ILE A 48 3.221 1.760 1.574 1.00 1.00 C ATOM 705 CG2 ILE A 48 4.618 0.255 3.009 1.00 1.00 C ATOM 706 CD1 ILE A 48 4.294 1.805 0.485 1.00 1.00 C ATOM 0 H ILE A 48 2.597 3.712 3.827 1.00 1.00 H new ATOM 0 HA ILE A 48 2.118 0.784 3.877 1.00 1.00 H new ATOM 0 HB ILE A 48 4.589 2.402 3.112 1.00 1.00 H new ATOM 0 HG12 ILE A 48 2.535 0.934 1.386 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.631 2.676 1.553 1.00 1.00 H new ATOM 0 HG21 ILE A 48 5.390 0.231 2.240 1.00 1.00 H new ATOM 0 HG22 ILE A 48 5.079 0.139 3.990 1.00 1.00 H new ATOM 0 HG23 ILE A 48 3.913 -0.559 2.841 1.00 1.00 H new ATOM 0 HD11 ILE A 48 3.819 1.924 -0.489 1.00 1.00 H new ATOM 0 HD12 ILE A 48 4.963 2.646 0.668 1.00 1.00 H new ATOM 0 HD13 ILE A 48 4.866 0.877 0.499 1.00 1.00 H new ATOM 718 N GLN A 49 3.031 0.511 6.163 1.00 1.00 N ATOM 719 CA GLN A 49 3.561 0.305 7.510 1.00 1.00 C ATOM 720 C GLN A 49 4.704 -0.702 7.491 1.00 1.00 C ATOM 721 O GLN A 49 4.563 -1.811 6.985 1.00 1.00 O ATOM 722 CB GLN A 49 2.452 -0.213 8.432 1.00 1.00 C ATOM 723 CG GLN A 49 1.499 0.927 8.804 1.00 1.00 C ATOM 724 CD GLN A 49 2.202 1.903 9.744 1.00 1.00 C ATOM 725 OE1 GLN A 49 3.053 1.496 10.537 1.00 1.00 O ATOM 726 NE2 GLN A 49 1.886 3.167 9.715 1.00 1.00 N ATOM 0 H GLN A 49 2.341 -0.181 5.870 1.00 1.00 H new ATOM 0 HA GLN A 49 3.935 1.260 7.880 1.00 1.00 H new ATOM 0 HB2 GLN A 49 1.900 -1.011 7.936 1.00 1.00 H new ATOM 0 HB3 GLN A 49 2.889 -0.641 9.334 1.00 1.00 H new ATOM 0 HG2 GLN A 49 1.171 1.447 7.904 1.00 1.00 H new ATOM 0 HG3 GLN A 49 0.606 0.525 9.283 1.00 1.00 H new ATOM 0 HE21 GLN A 49 1.181 3.502 9.058 1.00 1.00 H new ATOM 0 HE22 GLN A 49 2.343 3.822 10.349 1.00 1.00 H new ATOM 735 N LEU A 50 5.832 -0.305 8.069 1.00 1.00 N ATOM 736 CA LEU A 50 7.010 -1.169 8.146 1.00 1.00 C ATOM 737 C LEU A 50 7.116 -1.773 9.541 1.00 1.00 C ATOM 738 O LEU A 50 6.975 -1.075 10.543 1.00 1.00 O ATOM 739 CB LEU A 50 8.272 -0.352 7.825 1.00 1.00 C ATOM 740 CG LEU A 50 8.529 -0.337 6.313 1.00 1.00 C ATOM 741 CD1 LEU A 50 7.261 0.100 5.570 1.00 1.00 C ATOM 742 CD2 LEU A 50 9.669 0.639 6.009 1.00 1.00 C ATOM 0 H LEU A 50 5.958 0.614 8.494 1.00 1.00 H new ATOM 0 HA LEU A 50 6.915 -1.976 7.419 1.00 1.00 H new ATOM 0 HB2 LEU A 50 8.155 0.668 8.191 1.00 1.00 H new ATOM 0 HB3 LEU A 50 9.131 -0.780 8.342 1.00 1.00 H new ATOM 0 HG LEU A 50 8.803 -1.338 5.981 1.00 1.00 H new ATOM 0 HD11 LEU A 50 7.453 0.108 4.497 1.00 1.00 H new ATOM 0 HD12 LEU A 50 6.452 -0.597 5.789 1.00 1.00 H new ATOM 0 HD13 LEU A 50 6.975 1.101 5.895 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.858 0.655 4.936 1.00 1.00 H new ATOM 0 HD22 LEU A 50 9.391 1.638 6.344 1.00 1.00 H new ATOM 0 HD23 LEU A 50 10.571 0.319 6.531 1.00 1.00 H new ATOM 754 N HIS A 51 7.361 -3.082 9.596 1.00 1.00 N ATOM 755 CA HIS A 51 7.483 -3.782 10.873 1.00 1.00 C ATOM 756 C HIS A 51 8.942 -4.129 11.149 1.00 1.00 C ATOM 757 O HIS A 51 9.242 -5.163 11.746 1.00 1.00 O ATOM 758 CB HIS A 51 6.642 -5.061 10.847 1.00 1.00 C ATOM 759 CG HIS A 51 5.215 -4.714 10.518 1.00 1.00 C ATOM 760 ND1 HIS A 51 4.445 -3.888 11.325 1.00 1.00 N ATOM 761 CD2 HIS A 51 4.406 -5.076 9.471 1.00 1.00 C ATOM 762 CE1 HIS A 51 3.231 -3.778 10.751 1.00 1.00 C ATOM 763 NE2 HIS A 51 3.154 -4.483 9.618 1.00 1.00 N ATOM 0 H HIS A 51 7.478 -3.676 8.775 1.00 1.00 H new ATOM 0 HA HIS A 51 7.121 -3.129 11.667 1.00 1.00 H new ATOM 0 HB2 HIS A 51 7.039 -5.755 10.107 1.00 1.00 H new ATOM 0 HB3 HIS A 51 6.692 -5.562 11.814 1.00 1.00 H new ATOM 0 HD2 HIS A 51 4.696 -5.723 8.656 1.00 1.00 H new ATOM 0 HE1 HIS A 51 2.420 -3.192 11.157 1.00 1.00 H new ATOM 0 HE2 HIS A 51 2.351 -4.568 8.995 1.00 1.00 H new ATOM 771 N GLU A 52 9.845 -3.251 10.717 1.00 1.00 N ATOM 772 CA GLU A 52 11.272 -3.469 10.932 1.00 1.00 C ATOM 773 C GLU A 52 11.531 -3.905 12.366 1.00 1.00 C ATOM 774 O GLU A 52 10.803 -3.525 13.282 1.00 1.00 O ATOM 775 CB GLU A 52 12.052 -2.184 10.639 1.00 1.00 C ATOM 776 CG GLU A 52 12.061 -1.921 9.133 1.00 1.00 C ATOM 777 CD GLU A 52 12.696 -0.564 8.842 1.00 1.00 C ATOM 778 OE1 GLU A 52 13.072 0.106 9.789 1.00 1.00 O ATOM 779 OE2 GLU A 52 12.793 -0.217 7.677 1.00 1.00 O ATOM 0 H GLU A 52 9.616 -2.390 10.221 1.00 1.00 H new ATOM 0 HA GLU A 52 11.606 -4.255 10.255 1.00 1.00 H new ATOM 0 HB2 GLU A 52 11.597 -1.343 11.162 1.00 1.00 H new ATOM 0 HB3 GLU A 52 13.073 -2.274 11.009 1.00 1.00 H new ATOM 0 HG2 GLU A 52 12.615 -2.708 8.622 1.00 1.00 H new ATOM 0 HG3 GLU A 52 11.042 -1.945 8.745 1.00 1.00 H new ATOM 786 N LYS A 53 12.568 -4.712 12.552 1.00 1.00 N ATOM 787 CA LYS A 53 12.911 -5.201 13.879 1.00 1.00 C ATOM 788 C LYS A 53 13.291 -4.039 14.792 1.00 1.00 C ATOM 789 O LYS A 53 12.960 -4.037 15.977 1.00 1.00 O ATOM 790 CB LYS A 53 14.082 -6.189 13.790 1.00 1.00 C ATOM 791 CG LYS A 53 13.720 -7.383 12.891 1.00 1.00 C ATOM 792 CD LYS A 53 12.570 -8.194 13.507 1.00 1.00 C ATOM 793 CE LYS A 53 12.528 -9.594 12.882 1.00 1.00 C ATOM 794 NZ LYS A 53 12.156 -9.486 11.442 1.00 1.00 N ATOM 0 H LYS A 53 13.182 -5.039 11.806 1.00 1.00 H new ATOM 0 HA LYS A 53 12.041 -5.709 14.295 1.00 1.00 H new ATOM 0 HB2 LYS A 53 14.962 -5.683 13.393 1.00 1.00 H new ATOM 0 HB3 LYS A 53 14.341 -6.544 14.787 1.00 1.00 H new ATOM 0 HG2 LYS A 53 13.432 -7.026 11.902 1.00 1.00 H new ATOM 0 HG3 LYS A 53 14.593 -8.022 12.758 1.00 1.00 H new ATOM 0 HD2 LYS A 53 12.705 -8.271 14.586 1.00 1.00 H new ATOM 0 HD3 LYS A 53 11.622 -7.683 13.340 1.00 1.00 H new ATOM 0 HE2 LYS A 53 13.500 -10.078 12.982 1.00 1.00 H new ATOM 0 HE3 LYS A 53 11.806 -10.217 13.409 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 12.028 -10.438 11.044 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 11.269 -8.951 11.352 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 12.911 -8.993 10.924 1.00 1.00 H new ATOM 808 N GLU A 54 13.991 -3.052 14.238 1.00 1.00 N ATOM 809 CA GLU A 54 14.412 -1.898 15.026 1.00 1.00 C ATOM 810 C GLU A 54 13.198 -1.190 15.613 1.00 1.00 C ATOM 811 O GLU A 54 13.138 -0.935 16.816 1.00 1.00 O ATOM 812 CB GLU A 54 15.178 -0.914 14.143 1.00 1.00 C ATOM 813 CG GLU A 54 16.393 -1.617 13.549 1.00 1.00 C ATOM 814 CD GLU A 54 17.179 -0.651 12.670 1.00 1.00 C ATOM 815 OE1 GLU A 54 16.798 0.506 12.605 1.00 1.00 O ATOM 816 OE2 GLU A 54 18.154 -1.082 12.075 1.00 1.00 O ATOM 0 H GLU A 54 14.276 -3.028 13.259 1.00 1.00 H new ATOM 0 HA GLU A 54 15.056 -2.248 15.833 1.00 1.00 H new ATOM 0 HB2 GLU A 54 14.533 -0.542 13.347 1.00 1.00 H new ATOM 0 HB3 GLU A 54 15.493 -0.050 14.728 1.00 1.00 H new ATOM 0 HG2 GLU A 54 17.031 -1.995 14.348 1.00 1.00 H new ATOM 0 HG3 GLU A 54 16.074 -2.478 12.962 1.00 1.00 H new ATOM 823 N GLN A 55 12.234 -0.887 14.751 1.00 1.00 N ATOM 824 CA GLN A 55 11.011 -0.215 15.187 1.00 1.00 C ATOM 825 C GLN A 55 10.015 -0.090 14.037 1.00 1.00 C ATOM 826 O GLN A 55 10.371 -0.270 12.872 1.00 1.00 O ATOM 827 CB GLN A 55 11.337 1.182 15.726 1.00 1.00 C ATOM 828 CG GLN A 55 12.026 2.014 14.639 1.00 1.00 C ATOM 829 CD GLN A 55 12.342 3.408 15.171 1.00 1.00 C ATOM 830 OE1 GLN A 55 11.604 3.940 16.000 1.00 1.00 O ATOM 831 NE2 GLN A 55 13.402 4.036 14.739 1.00 1.00 N ATOM 0 H GLN A 55 12.273 -1.093 13.753 1.00 1.00 H new ATOM 0 HA GLN A 55 10.563 -0.818 15.977 1.00 1.00 H new ATOM 0 HB2 GLN A 55 10.423 1.678 16.051 1.00 1.00 H new ATOM 0 HB3 GLN A 55 11.984 1.102 16.600 1.00 1.00 H new ATOM 0 HG2 GLN A 55 12.944 1.521 14.319 1.00 1.00 H new ATOM 0 HG3 GLN A 55 11.382 2.088 13.763 1.00 1.00 H new ATOM 0 HE21 GLN A 55 14.012 3.593 14.052 1.00 1.00 H new ATOM 0 HE22 GLN A 55 13.620 4.969 15.089 1.00 1.00 H new ATOM 840 N HIS A 56 8.769 0.243 14.373 1.00 1.00 N ATOM 841 CA HIS A 56 7.729 0.414 13.363 1.00 1.00 C ATOM 842 C HIS A 56 7.785 1.828 12.791 1.00 1.00 C ATOM 843 O HIS A 56 7.772 2.806 13.538 1.00 1.00 O ATOM 844 CB HIS A 56 6.347 0.170 13.975 1.00 1.00 C ATOM 845 CG HIS A 56 6.217 -1.274 14.374 1.00 1.00 C ATOM 846 ND1 HIS A 56 5.821 -2.254 13.479 1.00 1.00 N ATOM 847 CD2 HIS A 56 6.424 -1.921 15.569 1.00 1.00 C ATOM 848 CE1 HIS A 56 5.804 -3.426 14.139 1.00 1.00 C ATOM 849 NE2 HIS A 56 6.163 -3.280 15.417 1.00 1.00 N ATOM 0 H HIS A 56 8.458 0.399 15.332 1.00 1.00 H new ATOM 0 HA HIS A 56 7.900 -0.309 12.565 1.00 1.00 H new ATOM 0 HB2 HIS A 56 6.205 0.812 14.845 1.00 1.00 H new ATOM 0 HB3 HIS A 56 5.569 0.430 13.257 1.00 1.00 H new ATOM 0 HD1 HIS A 56 5.585 -2.113 12.497 1.00 1.00 H new ATOM 0 HD2 HIS A 56 6.741 -1.447 16.486 1.00 1.00 H new ATOM 0 HE1 HIS A 56 5.533 -4.370 13.690 1.00 1.00 H new ATOM 857 N VAL A 57 7.849 1.931 11.462 1.00 1.00 N ATOM 858 CA VAL A 57 7.911 3.236 10.794 1.00 1.00 C ATOM 859 C VAL A 57 6.665 3.460 9.948 1.00 1.00 C ATOM 860 O VAL A 57 6.210 2.563 9.238 1.00 1.00 O ATOM 861 CB VAL A 57 9.142 3.313 9.899 1.00 1.00 C ATOM 862 CG1 VAL A 57 9.246 4.715 9.297 1.00 1.00 C ATOM 863 CG2 VAL A 57 10.393 3.007 10.724 1.00 1.00 C ATOM 0 H VAL A 57 7.859 1.132 10.828 1.00 1.00 H new ATOM 0 HA VAL A 57 7.970 4.008 11.561 1.00 1.00 H new ATOM 0 HB VAL A 57 9.056 2.582 9.095 1.00 1.00 H new ATOM 0 HG11 VAL A 57 10.126 4.772 8.657 1.00 1.00 H new ATOM 0 HG12 VAL A 57 8.354 4.925 8.707 1.00 1.00 H new ATOM 0 HG13 VAL A 57 9.332 5.449 10.098 1.00 1.00 H new ATOM 0 HG21 VAL A 57 11.273 3.062 10.084 1.00 1.00 H new ATOM 0 HG22 VAL A 57 10.484 3.735 11.530 1.00 1.00 H new ATOM 0 HG23 VAL A 57 10.314 2.005 11.147 1.00 1.00 H new ATOM 873 N GLN A 58 6.116 4.665 10.038 1.00 1.00 N ATOM 874 CA GLN A 58 4.909 5.027 9.293 1.00 1.00 C ATOM 875 C GLN A 58 5.253 5.830 8.043 1.00 1.00 C ATOM 876 O GLN A 58 5.651 6.993 8.125 1.00 1.00 O ATOM 877 CB GLN A 58 3.986 5.857 10.191 1.00 1.00 C ATOM 878 CG GLN A 58 2.738 6.286 9.410 1.00 1.00 C ATOM 879 CD GLN A 58 1.754 6.987 10.342 1.00 1.00 C ATOM 880 OE1 GLN A 58 1.842 6.847 11.561 1.00 1.00 O ATOM 881 NE2 GLN A 58 0.819 7.744 9.835 1.00 1.00 N ATOM 0 H GLN A 58 6.487 5.414 10.622 1.00 1.00 H new ATOM 0 HA GLN A 58 4.408 4.109 8.985 1.00 1.00 H new ATOM 0 HB2 GLN A 58 3.695 5.274 11.065 1.00 1.00 H new ATOM 0 HB3 GLN A 58 4.516 6.736 10.557 1.00 1.00 H new ATOM 0 HG2 GLN A 58 3.020 6.954 8.596 1.00 1.00 H new ATOM 0 HG3 GLN A 58 2.265 5.415 8.957 1.00 1.00 H new ATOM 0 HE21 GLN A 58 0.748 7.859 8.824 1.00 1.00 H new ATOM 0 HE22 GLN A 58 0.160 8.221 10.450 1.00 1.00 H new ATOM 890 N ASP A 59 5.078 5.205 6.881 1.00 1.00 N ATOM 891 CA ASP A 59 5.349 5.864 5.603 1.00 1.00 C ATOM 892 C ASP A 59 4.040 6.299 4.954 1.00 1.00 C ATOM 893 O ASP A 59 3.226 5.463 4.564 1.00 1.00 O ATOM 894 CB ASP A 59 6.095 4.908 4.672 1.00 1.00 C ATOM 895 CG ASP A 59 6.443 5.611 3.365 1.00 1.00 C ATOM 896 OD1 ASP A 59 5.997 6.730 3.180 1.00 1.00 O ATOM 897 OD2 ASP A 59 7.152 5.019 2.569 1.00 1.00 O ATOM 0 H ASP A 59 4.750 4.243 6.797 1.00 1.00 H new ATOM 0 HA ASP A 59 5.968 6.743 5.782 1.00 1.00 H new ATOM 0 HB2 ASP A 59 7.005 4.553 5.156 1.00 1.00 H new ATOM 0 HB3 ASP A 59 5.479 4.032 4.469 1.00 1.00 H new ATOM 902 N ILE A 60 3.840 7.609 4.845 1.00 1.00 N ATOM 903 CA ILE A 60 2.617 8.145 4.245 1.00 1.00 C ATOM 904 C ILE A 60 2.856 8.504 2.785 1.00 1.00 C ATOM 905 O ILE A 60 3.749 9.288 2.465 1.00 1.00 O ATOM 906 CB ILE A 60 2.167 9.387 5.014 1.00 1.00 C ATOM 907 CG1 ILE A 60 1.890 9.002 6.469 1.00 1.00 C ATOM 908 CG2 ILE A 60 0.893 9.948 4.383 1.00 1.00 C ATOM 909 CD1 ILE A 60 1.662 10.264 7.305 1.00 1.00 C ATOM 0 H ILE A 60 4.503 8.317 5.161 1.00 1.00 H new ATOM 0 HA ILE A 60 1.838 7.384 4.296 1.00 1.00 H new ATOM 0 HB ILE A 60 2.950 10.145 4.976 1.00 1.00 H new ATOM 0 HG12 ILE A 60 1.014 8.356 6.523 1.00 1.00 H new ATOM 0 HG13 ILE A 60 2.730 8.435 6.871 1.00 1.00 H new ATOM 0 HG21 ILE A 60 0.574 10.833 4.933 1.00 1.00 H new ATOM 0 HG22 ILE A 60 1.089 10.217 3.345 1.00 1.00 H new ATOM 0 HG23 ILE A 60 0.106 9.195 4.421 1.00 1.00 H new ATOM 0 HD11 ILE A 60 1.465 9.984 8.340 1.00 1.00 H new ATOM 0 HD12 ILE A 60 2.550 10.894 7.262 1.00 1.00 H new ATOM 0 HD13 ILE A 60 0.808 10.813 6.909 1.00 1.00 H new ATOM 921 N ILE A 61 2.053 7.912 1.900 1.00 1.00 N ATOM 922 CA ILE A 61 2.181 8.157 0.461 1.00 1.00 C ATOM 923 C ILE A 61 0.803 8.451 -0.150 1.00 1.00 C ATOM 924 O ILE A 61 -0.077 7.594 -0.109 1.00 1.00 O ATOM 925 CB ILE A 61 2.775 6.918 -0.217 1.00 1.00 C ATOM 926 CG1 ILE A 61 4.058 6.497 0.508 1.00 1.00 C ATOM 927 CG2 ILE A 61 3.103 7.250 -1.673 1.00 1.00 C ATOM 928 CD1 ILE A 61 4.503 5.128 -0.006 1.00 1.00 C ATOM 0 H ILE A 61 1.309 7.261 2.152 1.00 1.00 H new ATOM 0 HA ILE A 61 2.834 9.016 0.306 1.00 1.00 H new ATOM 0 HB ILE A 61 2.054 6.102 -0.177 1.00 1.00 H new ATOM 0 HG12 ILE A 61 4.843 7.234 0.340 1.00 1.00 H new ATOM 0 HG13 ILE A 61 3.885 6.456 1.583 1.00 1.00 H new ATOM 0 HG21 ILE A 61 3.526 6.371 -2.160 1.00 1.00 H new ATOM 0 HG22 ILE A 61 2.192 7.549 -2.192 1.00 1.00 H new ATOM 0 HG23 ILE A 61 3.825 8.066 -1.706 1.00 1.00 H new ATOM 0 HD11 ILE A 61 5.416 4.826 0.508 1.00 1.00 H new ATOM 0 HD12 ILE A 61 3.719 4.395 0.185 1.00 1.00 H new ATOM 0 HD13 ILE A 61 4.692 5.186 -1.078 1.00 1.00 H new ATOM 940 N PRO A 62 0.576 9.627 -0.708 1.00 1.00 N ATOM 941 CA PRO A 62 -0.748 9.971 -1.305 1.00 1.00 C ATOM 942 C PRO A 62 -0.975 9.300 -2.660 1.00 1.00 C ATOM 943 O PRO A 62 -0.027 8.916 -3.346 1.00 1.00 O ATOM 944 CB PRO A 62 -0.698 11.499 -1.426 1.00 1.00 C ATOM 945 CG PRO A 62 0.748 11.817 -1.625 1.00 1.00 C ATOM 946 CD PRO A 62 1.533 10.749 -0.850 1.00 1.00 C ATOM 0 HA PRO A 62 -1.580 9.618 -0.695 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -1.300 11.850 -2.265 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -1.090 11.980 -0.530 1.00 1.00 H new ATOM 0 HG2 PRO A 62 1.008 11.800 -2.683 1.00 1.00 H new ATOM 0 HG3 PRO A 62 0.981 12.816 -1.256 1.00 1.00 H new ATOM 0 HD2 PRO A 62 2.429 10.443 -1.390 1.00 1.00 H new ATOM 0 HD3 PRO A 62 1.858 11.121 0.122 1.00 1.00 H new ATOM 954 N ILE A 63 -2.246 9.169 -3.037 1.00 1.00 N ATOM 955 CA ILE A 63 -2.614 8.549 -4.310 1.00 1.00 C ATOM 956 C ILE A 63 -2.948 9.616 -5.348 1.00 1.00 C ATOM 957 O ILE A 63 -3.815 10.461 -5.131 1.00 1.00 O ATOM 958 CB ILE A 63 -3.814 7.616 -4.103 1.00 1.00 C ATOM 959 CG1 ILE A 63 -3.367 6.414 -3.261 1.00 1.00 C ATOM 960 CG2 ILE A 63 -4.341 7.129 -5.456 1.00 1.00 C ATOM 961 CD1 ILE A 63 -4.588 5.620 -2.789 1.00 1.00 C ATOM 0 H ILE A 63 -3.039 9.484 -2.479 1.00 1.00 H new ATOM 0 HA ILE A 63 -1.768 7.968 -4.676 1.00 1.00 H new ATOM 0 HB ILE A 63 -4.611 8.155 -3.590 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -2.711 5.772 -3.849 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -2.791 6.756 -2.401 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -5.193 6.467 -5.298 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -4.653 7.985 -6.055 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -3.553 6.588 -5.980 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -4.260 4.769 -2.192 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -5.228 6.262 -2.184 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -5.146 5.263 -3.654 1.00 1.00 H new ATOM 973 N ASN A 64 -2.242 9.567 -6.474 1.00 1.00 N ATOM 974 CA ASN A 64 -2.452 10.527 -7.548 1.00 1.00 C ATOM 975 C ASN A 64 -1.623 10.142 -8.770 1.00 1.00 C ATOM 976 O ASN A 64 -1.188 8.998 -8.902 1.00 1.00 O ATOM 977 CB ASN A 64 -2.060 11.931 -7.082 1.00 1.00 C ATOM 978 CG ASN A 64 -0.580 11.962 -6.716 1.00 1.00 C ATOM 979 OD1 ASN A 64 0.154 11.020 -7.018 1.00 1.00 O ATOM 980 ND2 ASN A 64 -0.098 12.991 -6.078 1.00 1.00 N ATOM 0 H ASN A 64 -1.520 8.872 -6.664 1.00 1.00 H new ATOM 0 HA ASN A 64 -3.508 10.521 -7.818 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -2.264 12.655 -7.871 1.00 1.00 H new ATOM 0 HB3 ASN A 64 -2.663 12.219 -6.221 1.00 1.00 H new ATOM 0 HD21 ASN A 64 0.890 13.018 -5.827 1.00 1.00 H new ATOM 0 HD22 ASN A 64 -0.709 13.769 -5.830 1.00 1.00 H new ATOM 987 N SER A 65 -1.414 11.100 -9.664 1.00 1.00 N ATOM 988 CA SER A 65 -0.643 10.843 -10.874 1.00 1.00 C ATOM 989 C SER A 65 0.795 10.444 -10.539 1.00 1.00 C ATOM 990 O SER A 65 1.371 9.572 -11.188 1.00 1.00 O ATOM 991 CB SER A 65 -0.635 12.088 -11.759 1.00 1.00 C ATOM 992 OG SER A 65 -0.068 13.176 -11.040 1.00 1.00 O ATOM 0 H SER A 65 -1.764 12.054 -9.576 1.00 1.00 H new ATOM 0 HA SER A 65 -1.114 10.016 -11.406 1.00 1.00 H new ATOM 0 HB2 SER A 65 -0.061 11.899 -12.666 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.651 12.333 -12.070 1.00 1.00 H new ATOM 0 HG SER A 65 -0.061 13.975 -11.608 1.00 1.00 H new ATOM 998 N HIS A 66 1.373 11.091 -9.530 1.00 1.00 N ATOM 999 CA HIS A 66 2.745 10.795 -9.129 1.00 1.00 C ATOM 1000 C HIS A 66 2.856 9.389 -8.533 1.00 1.00 C ATOM 1001 O HIS A 66 3.838 8.685 -8.768 1.00 1.00 O ATOM 1002 CB HIS A 66 3.228 11.827 -8.108 1.00 1.00 C ATOM 1003 CG HIS A 66 3.387 13.165 -8.780 1.00 1.00 C ATOM 1004 ND1 HIS A 66 4.433 13.435 -9.651 1.00 1.00 N ATOM 1005 CD2 HIS A 66 2.649 14.321 -8.716 1.00 1.00 C ATOM 1006 CE1 HIS A 66 4.297 14.707 -10.069 1.00 1.00 C ATOM 1007 NE2 HIS A 66 3.225 15.292 -9.530 1.00 1.00 N ATOM 0 H HIS A 66 0.917 11.818 -8.979 1.00 1.00 H new ATOM 0 HA HIS A 66 3.373 10.842 -10.019 1.00 1.00 H new ATOM 0 HB2 HIS A 66 2.515 11.903 -7.287 1.00 1.00 H new ATOM 0 HB3 HIS A 66 4.178 11.510 -7.677 1.00 1.00 H new ATOM 0 HD2 HIS A 66 1.756 14.456 -8.123 1.00 1.00 H new ATOM 0 HE1 HIS A 66 4.972 15.195 -10.756 1.00 1.00 H new ATOM 0 HE2 HIS A 66 2.898 16.246 -9.682 1.00 1.00 H new ATOM 1015 N PHE A 67 1.846 8.987 -7.766 1.00 1.00 N ATOM 1016 CA PHE A 67 1.833 7.671 -7.139 1.00 1.00 C ATOM 1017 C PHE A 67 1.308 6.629 -8.115 1.00 1.00 C ATOM 1018 O PHE A 67 0.211 6.769 -8.658 1.00 1.00 O ATOM 1019 CB PHE A 67 0.948 7.710 -5.883 1.00 1.00 C ATOM 1020 CG PHE A 67 0.630 6.304 -5.414 1.00 1.00 C ATOM 1021 CD1 PHE A 67 1.495 5.634 -4.539 1.00 1.00 C ATOM 1022 CD2 PHE A 67 -0.535 5.672 -5.864 1.00 1.00 C ATOM 1023 CE1 PHE A 67 1.190 4.333 -4.116 1.00 1.00 C ATOM 1024 CE2 PHE A 67 -0.837 4.372 -5.443 1.00 1.00 C ATOM 1025 CZ PHE A 67 0.025 3.703 -4.569 1.00 1.00 C ATOM 0 H PHE A 67 1.024 9.557 -7.564 1.00 1.00 H new ATOM 0 HA PHE A 67 2.850 7.400 -6.855 1.00 1.00 H new ATOM 0 HB2 PHE A 67 1.456 8.258 -5.090 1.00 1.00 H new ATOM 0 HB3 PHE A 67 0.024 8.246 -6.099 1.00 1.00 H new ATOM 0 HD1 PHE A 67 2.395 6.119 -4.191 1.00 1.00 H new ATOM 0 HD2 PHE A 67 -1.202 6.189 -6.538 1.00 1.00 H new ATOM 0 HE1 PHE A 67 1.855 3.816 -3.440 1.00 1.00 H new ATOM 0 HE2 PHE A 67 -1.736 3.886 -5.793 1.00 1.00 H new ATOM 0 HZ PHE A 67 -0.208 2.700 -4.243 1.00 1.00 H new ATOM 1035 N ARG A 68 2.093 5.577 -8.327 1.00 1.00 N ATOM 1036 CA ARG A 68 1.698 4.504 -9.233 1.00 1.00 C ATOM 1037 C ARG A 68 1.953 3.142 -8.600 1.00 1.00 C ATOM 1038 O ARG A 68 2.929 2.946 -7.876 1.00 1.00 O ATOM 1039 CB ARG A 68 2.473 4.617 -10.544 1.00 1.00 C ATOM 1040 CG ARG A 68 1.934 5.786 -11.367 1.00 1.00 C ATOM 1041 CD ARG A 68 2.692 5.849 -12.691 1.00 1.00 C ATOM 1042 NE ARG A 68 4.077 6.245 -12.459 1.00 1.00 N ATOM 1043 CZ ARG A 68 4.950 6.321 -13.461 1.00 1.00 C ATOM 1044 NH1 ARG A 68 4.589 5.989 -14.669 1.00 1.00 N ATOM 1045 NH2 ARG A 68 6.171 6.716 -13.230 1.00 1.00 N ATOM 0 H ARG A 68 3.003 5.445 -7.886 1.00 1.00 H new ATOM 0 HA ARG A 68 0.631 4.599 -9.434 1.00 1.00 H new ATOM 0 HB2 ARG A 68 3.533 4.764 -10.338 1.00 1.00 H new ATOM 0 HB3 ARG A 68 2.384 3.690 -11.111 1.00 1.00 H new ATOM 0 HG2 ARG A 68 0.867 5.659 -11.549 1.00 1.00 H new ATOM 0 HG3 ARG A 68 2.054 6.720 -10.819 1.00 1.00 H new ATOM 0 HD2 ARG A 68 2.661 4.877 -13.183 1.00 1.00 H new ATOM 0 HD3 ARG A 68 2.210 6.561 -13.361 1.00 1.00 H new ATOM 0 HE ARG A 68 4.382 6.468 -11.511 1.00 1.00 H new ATOM 0 HH11 ARG A 68 3.637 5.671 -14.847 1.00 1.00 H new ATOM 0 HH12 ARG A 68 5.259 6.048 -15.436 1.00 1.00 H new ATOM 0 HH21 ARG A 68 6.456 6.966 -12.283 1.00 1.00 H new ATOM 0 HH22 ARG A 68 6.842 6.775 -13.996 1.00 1.00 H new ATOM 1059 N CYS A 69 1.061 2.202 -8.897 1.00 1.00 N ATOM 1060 CA CYS A 69 1.162 0.836 -8.381 1.00 1.00 C ATOM 1061 C CYS A 69 1.091 -0.148 -9.545 1.00 1.00 C ATOM 1062 O CYS A 69 0.107 -0.166 -10.284 1.00 1.00 O ATOM 1063 CB CYS A 69 0.004 0.571 -7.411 1.00 1.00 C ATOM 1064 SG CYS A 69 -0.156 -1.208 -7.107 1.00 1.00 S ATOM 0 H CYS A 69 0.252 2.361 -9.498 1.00 1.00 H new ATOM 0 HA CYS A 69 2.109 0.710 -7.856 1.00 1.00 H new ATOM 0 HB2 CYS A 69 0.179 1.094 -6.471 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -0.925 0.962 -7.825 1.00 1.00 H new ATOM 0 HG CYS A 69 -1.138 -1.421 -6.283 1.00 1.00 H new ATOM 1070 N VAL A 70 2.138 -0.963 -9.713 1.00 1.00 N ATOM 1071 CA VAL A 70 2.165 -1.943 -10.809 1.00 1.00 C ATOM 1072 C VAL A 70 2.275 -3.359 -10.259 1.00 1.00 C ATOM 1073 O VAL A 70 3.183 -3.666 -9.492 1.00 1.00 O ATOM 1074 CB VAL A 70 3.356 -1.648 -11.725 1.00 1.00 C ATOM 1075 CG1 VAL A 70 3.338 -0.168 -12.112 1.00 1.00 C ATOM 1076 CG2 VAL A 70 4.664 -1.969 -10.992 1.00 1.00 C ATOM 0 H VAL A 70 2.965 -0.967 -9.117 1.00 1.00 H new ATOM 0 HA VAL A 70 1.237 -1.864 -11.376 1.00 1.00 H new ATOM 0 HB VAL A 70 3.287 -2.264 -12.622 1.00 1.00 H new ATOM 0 HG11 VAL A 70 4.184 0.048 -12.764 1.00 1.00 H new ATOM 0 HG12 VAL A 70 2.409 0.060 -12.635 1.00 1.00 H new ATOM 0 HG13 VAL A 70 3.408 0.444 -11.213 1.00 1.00 H new ATOM 0 HG21 VAL A 70 5.509 -1.758 -11.647 1.00 1.00 H new ATOM 0 HG22 VAL A 70 4.738 -1.355 -10.094 1.00 1.00 H new ATOM 0 HG23 VAL A 70 4.676 -3.023 -10.713 1.00 1.00 H new ATOM 1086 N GLN A 71 1.338 -4.216 -10.660 1.00 1.00 N ATOM 1087 CA GLN A 71 1.325 -5.603 -10.198 1.00 1.00 C ATOM 1088 C GLN A 71 2.133 -6.492 -11.138 1.00 1.00 C ATOM 1089 O GLN A 71 1.805 -6.622 -12.318 1.00 1.00 O ATOM 1090 CB GLN A 71 -0.122 -6.103 -10.134 1.00 1.00 C ATOM 1091 CG GLN A 71 -0.164 -7.491 -9.495 1.00 1.00 C ATOM 1092 CD GLN A 71 -1.612 -7.912 -9.274 1.00 1.00 C ATOM 1093 OE1 GLN A 71 -1.882 -9.161 -9.012 1.00 1.00 O flip ATOM 1094 NE2 GLN A 71 -2.519 -7.083 -9.338 1.00 1.00 N flip ATOM 0 H GLN A 71 0.581 -3.976 -11.301 1.00 1.00 H new ATOM 0 HA GLN A 71 1.777 -5.647 -9.207 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -0.731 -5.408 -9.556 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -0.548 -6.142 -11.137 1.00 1.00 H new ATOM 0 HG2 GLN A 71 0.341 -8.213 -10.137 1.00 1.00 H new ATOM 0 HG3 GLN A 71 0.371 -7.481 -8.545 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -2.304 -6.107 -9.543 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -3.485 -7.372 -9.186 1.00 1.00 H new ATOM 1103 N GLU A 72 3.192 -7.103 -10.605 1.00 1.00 N ATOM 1104 CA GLU A 72 4.054 -7.985 -11.395 1.00 1.00 C ATOM 1105 C GLU A 72 4.217 -7.460 -12.820 1.00 1.00 C ATOM 1106 O GLU A 72 3.779 -8.094 -13.779 1.00 1.00 O ATOM 1107 CB GLU A 72 3.456 -9.388 -11.442 1.00 1.00 C ATOM 1108 CG GLU A 72 4.482 -10.367 -12.014 1.00 1.00 C ATOM 1109 CD GLU A 72 5.593 -10.609 -10.999 1.00 1.00 C ATOM 1110 OE1 GLU A 72 5.466 -10.124 -9.886 1.00 1.00 O ATOM 1111 OE2 GLU A 72 6.553 -11.273 -11.348 1.00 1.00 O ATOM 0 H GLU A 72 3.474 -7.004 -9.630 1.00 1.00 H new ATOM 0 HA GLU A 72 5.034 -8.015 -10.919 1.00 1.00 H new ATOM 0 HB2 GLU A 72 3.159 -9.701 -10.441 1.00 1.00 H new ATOM 0 HB3 GLU A 72 2.556 -9.390 -12.056 1.00 1.00 H new ATOM 0 HG2 GLU A 72 3.996 -11.310 -12.266 1.00 1.00 H new ATOM 0 HG3 GLU A 72 4.902 -9.968 -12.937 1.00 1.00 H new ATOM 1118 N ALA A 73 4.842 -6.301 -12.944 1.00 1.00 N ATOM 1119 CA ALA A 73 5.057 -5.692 -14.253 1.00 1.00 C ATOM 1120 C ALA A 73 5.614 -4.277 -14.097 1.00 1.00 C ATOM 1121 O ALA A 73 5.957 -3.851 -12.994 1.00 1.00 O ATOM 1122 CB ALA A 73 3.735 -5.657 -15.039 1.00 1.00 C ATOM 0 H ALA A 73 5.209 -5.762 -12.160 1.00 1.00 H new ATOM 0 HA ALA A 73 5.782 -6.292 -14.804 1.00 1.00 H new ATOM 0 HB1 ALA A 73 3.904 -5.201 -16.015 1.00 1.00 H new ATOM 0 HB2 ALA A 73 3.364 -6.673 -15.173 1.00 1.00 H new ATOM 0 HB3 ALA A 73 2.999 -5.072 -14.487 1.00 1.00 H new ATOM 1128 N GLU A 74 5.695 -3.554 -15.214 1.00 1.00 N ATOM 1129 CA GLU A 74 6.206 -2.183 -15.207 1.00 1.00 C ATOM 1130 C GLU A 74 5.048 -1.194 -15.180 1.00 1.00 C ATOM 1131 O GLU A 74 5.237 -0.006 -14.918 1.00 1.00 O ATOM 1132 CB GLU A 74 7.053 -1.939 -16.461 1.00 1.00 C ATOM 1133 CG GLU A 74 8.298 -2.830 -16.426 1.00 1.00 C ATOM 1134 CD GLU A 74 9.196 -2.436 -15.256 1.00 1.00 C ATOM 1135 OE1 GLU A 74 9.544 -1.270 -15.167 1.00 1.00 O ATOM 1136 OE2 GLU A 74 9.518 -3.307 -14.466 1.00 1.00 O ATOM 0 H GLU A 74 5.414 -3.894 -16.134 1.00 1.00 H new ATOM 0 HA GLU A 74 6.821 -2.041 -14.318 1.00 1.00 H new ATOM 0 HB2 GLU A 74 6.467 -2.153 -17.355 1.00 1.00 H new ATOM 0 HB3 GLU A 74 7.346 -0.891 -16.515 1.00 1.00 H new ATOM 0 HG2 GLU A 74 8.003 -3.875 -16.332 1.00 1.00 H new ATOM 0 HG3 GLU A 74 8.847 -2.737 -17.363 1.00 1.00 H new ATOM 1143 N GLU A 75 3.845 -1.697 -15.452 1.00 1.00 N ATOM 1144 CA GLU A 75 2.646 -0.856 -15.458 1.00 1.00 C ATOM 1145 C GLU A 75 1.441 -1.617 -14.928 1.00 1.00 C ATOM 1146 O GLU A 75 1.262 -1.755 -13.720 1.00 1.00 O ATOM 1147 CB GLU A 75 2.347 -0.357 -16.874 1.00 1.00 C ATOM 1148 CG GLU A 75 3.400 0.671 -17.284 1.00 1.00 C ATOM 1149 CD GLU A 75 3.131 1.170 -18.698 1.00 1.00 C ATOM 1150 OE1 GLU A 75 2.131 0.768 -19.269 1.00 1.00 O ATOM 1151 OE2 GLU A 75 3.926 1.955 -19.186 1.00 1.00 O ATOM 0 H GLU A 75 3.673 -2.678 -15.670 1.00 1.00 H new ATOM 0 HA GLU A 75 2.839 -0.004 -14.806 1.00 1.00 H new ATOM 0 HB2 GLU A 75 2.348 -1.193 -17.573 1.00 1.00 H new ATOM 0 HB3 GLU A 75 1.353 0.089 -16.912 1.00 1.00 H new ATOM 0 HG2 GLU A 75 3.390 1.509 -16.587 1.00 1.00 H new ATOM 0 HG3 GLU A 75 4.393 0.225 -17.232 1.00 1.00 H new ATOM 1158 N THR A 76 0.614 -2.099 -15.843 1.00 1.00 N ATOM 1159 CA THR A 76 -0.589 -2.840 -15.474 1.00 1.00 C ATOM 1160 C THR A 76 -1.256 -2.206 -14.253 1.00 1.00 C ATOM 1161 O THR A 76 -1.352 -2.823 -13.193 1.00 1.00 O ATOM 1162 CB THR A 76 -0.223 -4.296 -15.167 1.00 1.00 C ATOM 1163 OG1 THR A 76 0.471 -4.850 -16.275 1.00 1.00 O ATOM 1164 CG2 THR A 76 -1.491 -5.116 -14.898 1.00 1.00 C ATOM 0 H THR A 76 0.751 -1.992 -16.848 1.00 1.00 H new ATOM 0 HA THR A 76 -1.290 -2.809 -16.309 1.00 1.00 H new ATOM 0 HB THR A 76 0.411 -4.324 -14.281 1.00 1.00 H new ATOM 0 HG1 THR A 76 0.708 -5.781 -16.080 1.00 1.00 H new ATOM 0 HG21 THR A 76 -1.217 -6.149 -14.681 1.00 1.00 H new ATOM 0 HG22 THR A 76 -2.023 -4.695 -14.045 1.00 1.00 H new ATOM 0 HG23 THR A 76 -2.135 -5.088 -15.777 1.00 1.00 H new ATOM 1172 N LEU A 77 -1.708 -0.960 -14.406 1.00 1.00 N ATOM 1173 CA LEU A 77 -2.358 -0.248 -13.301 1.00 1.00 C ATOM 1174 C LEU A 77 -3.875 -0.237 -13.467 1.00 1.00 C ATOM 1175 O LEU A 77 -4.613 -0.224 -12.482 1.00 1.00 O ATOM 1176 CB LEU A 77 -1.843 1.199 -13.233 1.00 1.00 C ATOM 1177 CG LEU A 77 -0.308 1.237 -13.445 1.00 1.00 C ATOM 1178 CD1 LEU A 77 0.020 1.526 -14.915 1.00 1.00 C ATOM 1179 CD2 LEU A 77 0.315 2.343 -12.584 1.00 1.00 C ATOM 0 H LEU A 77 -1.638 -0.427 -15.273 1.00 1.00 H new ATOM 0 HA LEU A 77 -2.114 -0.771 -12.376 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -2.337 1.804 -13.994 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -2.094 1.636 -12.266 1.00 1.00 H new ATOM 0 HG LEU A 77 0.098 0.267 -13.159 1.00 1.00 H new ATOM 0 HD11 LEU A 77 1.102 1.550 -15.049 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -0.406 0.744 -15.543 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -0.402 2.490 -15.199 1.00 1.00 H new ATOM 0 HD21 LEU A 77 1.394 2.362 -12.740 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -0.109 3.307 -12.867 1.00 1.00 H new ATOM 0 HD23 LEU A 77 0.104 2.148 -11.533 1.00 1.00 H new ATOM 1191 N LEU A 78 -4.338 -0.235 -14.713 1.00 1.00 N ATOM 1192 CA LEU A 78 -5.771 -0.214 -14.972 1.00 1.00 C ATOM 1193 C LEU A 78 -6.405 -1.526 -14.530 1.00 1.00 C ATOM 1194 O LEU A 78 -7.499 -1.537 -13.968 1.00 1.00 O ATOM 1195 CB LEU A 78 -6.045 0.033 -16.461 1.00 1.00 C ATOM 1196 CG LEU A 78 -7.561 0.054 -16.730 1.00 1.00 C ATOM 1197 CD1 LEU A 78 -8.244 1.138 -15.877 1.00 1.00 C ATOM 1198 CD2 LEU A 78 -7.798 0.348 -18.215 1.00 1.00 C ATOM 0 H LEU A 78 -3.751 -0.247 -15.547 1.00 1.00 H new ATOM 0 HA LEU A 78 -6.214 0.601 -14.399 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -5.602 0.981 -16.767 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -5.574 -0.747 -17.059 1.00 1.00 H new ATOM 0 HG LEU A 78 -7.985 -0.915 -16.466 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.315 1.139 -16.079 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -8.075 0.930 -14.821 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -7.827 2.114 -16.126 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -8.869 0.365 -18.416 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -7.366 1.316 -18.468 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -7.328 -0.428 -18.819 1.00 1.00 H new ATOM 1210 N ILE A 79 -5.713 -2.638 -14.795 1.00 1.00 N ATOM 1211 CA ILE A 79 -6.221 -3.962 -14.424 1.00 1.00 C ATOM 1212 C ILE A 79 -5.307 -4.631 -13.405 1.00 1.00 C ATOM 1213 O ILE A 79 -4.093 -4.701 -13.589 1.00 1.00 O ATOM 1214 CB ILE A 79 -6.330 -4.853 -15.661 1.00 1.00 C ATOM 1215 CG1 ILE A 79 -7.315 -4.231 -16.654 1.00 1.00 C ATOM 1216 CG2 ILE A 79 -6.834 -6.239 -15.249 1.00 1.00 C ATOM 1217 CD1 ILE A 79 -7.231 -4.973 -17.989 1.00 1.00 C ATOM 0 H ILE A 79 -4.806 -2.649 -15.262 1.00 1.00 H new ATOM 0 HA ILE A 79 -7.208 -3.828 -13.980 1.00 1.00 H new ATOM 0 HB ILE A 79 -5.350 -4.945 -16.128 1.00 1.00 H new ATOM 0 HG12 ILE A 79 -8.329 -4.286 -16.259 1.00 1.00 H new ATOM 0 HG13 ILE A 79 -7.085 -3.175 -16.798 1.00 1.00 H new ATOM 0 HG21 ILE A 79 -6.912 -6.875 -16.131 1.00 1.00 H new ATOM 0 HG22 ILE A 79 -6.135 -6.685 -14.541 1.00 1.00 H new ATOM 0 HG23 ILE A 79 -7.814 -6.146 -14.781 1.00 1.00 H new ATOM 0 HD11 ILE A 79 -7.932 -4.530 -18.696 1.00 1.00 H new ATOM 0 HD12 ILE A 79 -6.219 -4.895 -18.385 1.00 1.00 H new ATOM 0 HD13 ILE A 79 -7.482 -6.023 -17.838 1.00 1.00 H new ATOM 1229 N ASP A 80 -5.910 -5.128 -12.326 1.00 1.00 N ATOM 1230 CA ASP A 80 -5.168 -5.805 -11.260 1.00 1.00 C ATOM 1231 C ASP A 80 -5.889 -7.086 -10.854 1.00 1.00 C ATOM 1232 O ASP A 80 -5.290 -7.999 -10.285 1.00 1.00 O ATOM 1233 CB ASP A 80 -5.044 -4.887 -10.046 1.00 1.00 C ATOM 1234 CG ASP A 80 -4.093 -3.736 -10.355 1.00 1.00 C ATOM 1235 OD1 ASP A 80 -3.397 -3.819 -11.352 1.00 1.00 O ATOM 1236 OD2 ASP A 80 -4.074 -2.788 -9.586 1.00 1.00 O ATOM 0 H ASP A 80 -6.916 -5.075 -12.165 1.00 1.00 H new ATOM 0 HA ASP A 80 -4.173 -6.053 -11.629 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -6.024 -4.496 -9.774 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -4.677 -5.452 -9.189 1.00 1.00 H new ATOM 1241 N ILE A 81 -7.180 -7.142 -11.159 1.00 1.00 N ATOM 1242 CA ILE A 81 -7.992 -8.310 -10.836 1.00 1.00 C ATOM 1243 C ILE A 81 -7.491 -9.533 -11.599 1.00 1.00 C ATOM 1244 O ILE A 81 -7.423 -10.634 -11.052 1.00 1.00 O ATOM 1245 CB ILE A 81 -9.459 -8.039 -11.188 1.00 1.00 C ATOM 1246 CG1 ILE A 81 -10.017 -6.981 -10.232 1.00 1.00 C ATOM 1247 CG2 ILE A 81 -10.279 -9.329 -11.058 1.00 1.00 C ATOM 1248 CD1 ILE A 81 -11.388 -6.515 -10.728 1.00 1.00 C ATOM 0 H ILE A 81 -7.687 -6.393 -11.629 1.00 1.00 H new ATOM 0 HA ILE A 81 -7.911 -8.508 -9.767 1.00 1.00 H new ATOM 0 HB ILE A 81 -9.523 -7.681 -12.216 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -10.103 -7.394 -9.227 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -9.334 -6.134 -10.171 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -11.320 -9.126 -11.310 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -9.882 -10.083 -11.738 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -10.219 -9.696 -10.034 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -11.785 -5.762 -10.047 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -11.288 -6.086 -11.725 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -12.069 -7.365 -10.766 1.00 1.00 H new ATOM 1260 N ALA A 82 -7.161 -9.332 -12.869 1.00 1.00 N ATOM 1261 CA ALA A 82 -6.684 -10.424 -13.711 1.00 1.00 C ATOM 1262 C ALA A 82 -5.481 -11.116 -13.077 1.00 1.00 C ATOM 1263 O ALA A 82 -5.208 -12.283 -13.355 1.00 1.00 O ATOM 1264 CB ALA A 82 -6.290 -9.885 -15.087 1.00 1.00 C ATOM 0 H ALA A 82 -7.214 -8.428 -13.338 1.00 1.00 H new ATOM 0 HA ALA A 82 -7.490 -11.150 -13.815 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -5.935 -10.705 -15.711 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -7.156 -9.420 -15.557 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -5.498 -9.145 -14.975 1.00 1.00 H new ATOM 1270 N SER A 83 -4.764 -10.390 -12.221 1.00 1.00 N ATOM 1271 CA SER A 83 -3.588 -10.937 -11.543 1.00 1.00 C ATOM 1272 C SER A 83 -3.848 -11.052 -10.048 1.00 1.00 C ATOM 1273 O SER A 83 -4.203 -10.074 -9.396 1.00 1.00 O ATOM 1274 CB SER A 83 -2.387 -10.022 -11.781 1.00 1.00 C ATOM 1275 OG SER A 83 -1.279 -10.492 -11.021 1.00 1.00 O ATOM 0 H SER A 83 -4.976 -9.422 -11.980 1.00 1.00 H new ATOM 0 HA SER A 83 -3.379 -11.929 -11.945 1.00 1.00 H new ATOM 0 HB2 SER A 83 -2.134 -10.004 -12.841 1.00 1.00 H new ATOM 0 HB3 SER A 83 -2.632 -8.999 -11.494 1.00 1.00 H new ATOM 0 HG SER A 83 -1.365 -10.186 -10.094 1.00 1.00 H new ATOM 1281 N ASN A 84 -3.669 -12.257 -9.516 1.00 1.00 N ATOM 1282 CA ASN A 84 -3.886 -12.507 -8.093 1.00 1.00 C ATOM 1283 C ASN A 84 -2.984 -13.639 -7.616 1.00 1.00 C ATOM 1284 O ASN A 84 -2.105 -14.093 -8.348 1.00 1.00 O ATOM 1285 CB ASN A 84 -5.350 -12.873 -7.843 1.00 1.00 C ATOM 1286 CG ASN A 84 -6.244 -11.643 -7.992 1.00 1.00 C ATOM 1287 OD1 ASN A 84 -5.789 -10.462 -7.662 1.00 1.00 O flip ATOM 1288 ND2 ASN A 84 -7.393 -11.762 -8.417 1.00 1.00 N flip ATOM 0 H ASN A 84 -3.374 -13.076 -10.048 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.644 -11.601 -7.537 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -5.663 -13.644 -8.547 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -5.460 -13.291 -6.842 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -7.749 -12.683 -8.675 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -7.989 -10.940 -8.512 1.00 1.00 H new ATOM 1295 N SER A 85 -3.198 -14.085 -6.383 1.00 1.00 N ATOM 1296 CA SER A 85 -2.385 -15.161 -5.824 1.00 1.00 C ATOM 1297 C SER A 85 -0.948 -14.677 -5.651 1.00 1.00 C ATOM 1298 O SER A 85 -0.167 -14.660 -6.603 1.00 1.00 O ATOM 1299 CB SER A 85 -2.427 -16.386 -6.749 1.00 1.00 C ATOM 1300 OG SER A 85 -1.395 -16.286 -7.720 1.00 1.00 O ATOM 0 H SER A 85 -3.918 -13.724 -5.757 1.00 1.00 H new ATOM 0 HA SER A 85 -2.784 -15.447 -4.851 1.00 1.00 H new ATOM 0 HB2 SER A 85 -2.304 -17.299 -6.166 1.00 1.00 H new ATOM 0 HB3 SER A 85 -3.398 -16.450 -7.241 1.00 1.00 H new ATOM 0 HG SER A 85 -1.142 -15.346 -7.833 1.00 1.00 H new ATOM 1306 N GLY A 86 -0.606 -14.257 -4.437 1.00 1.00 N ATOM 1307 CA GLY A 86 0.738 -13.751 -4.177 1.00 1.00 C ATOM 1308 C GLY A 86 1.063 -12.646 -5.176 1.00 1.00 C ATOM 1309 O GLY A 86 1.738 -12.879 -6.178 1.00 1.00 O ATOM 0 H GLY A 86 -1.229 -14.256 -3.629 1.00 1.00 H new ATOM 0 HA2 GLY A 86 0.804 -13.367 -3.159 1.00 1.00 H new ATOM 0 HA3 GLY A 86 1.465 -14.558 -4.261 1.00 1.00 H new ATOM 1313 N CYS A 87 0.539 -11.450 -4.915 1.00 1.00 N ATOM 1314 CA CYS A 87 0.736 -10.312 -5.818 1.00 1.00 C ATOM 1315 C CYS A 87 1.919 -9.439 -5.389 1.00 1.00 C ATOM 1316 O CYS A 87 2.050 -9.084 -4.217 1.00 1.00 O ATOM 1317 CB CYS A 87 -0.551 -9.442 -5.851 1.00 1.00 C ATOM 1318 SG CYS A 87 -1.935 -10.340 -5.099 1.00 1.00 S ATOM 0 H CYS A 87 -0.023 -11.242 -4.090 1.00 1.00 H new ATOM 0 HA CYS A 87 0.951 -10.712 -6.809 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -0.381 -8.508 -5.316 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -0.795 -9.180 -6.880 1.00 1.00 H new ATOM 1323 N LYS A 88 2.744 -9.056 -6.366 1.00 1.00 N ATOM 1324 CA LYS A 88 3.883 -8.173 -6.114 1.00 1.00 C ATOM 1325 C LYS A 88 3.567 -6.802 -6.697 1.00 1.00 C ATOM 1326 O LYS A 88 3.456 -6.653 -7.914 1.00 1.00 O ATOM 1327 CB LYS A 88 5.153 -8.714 -6.782 1.00 1.00 C ATOM 1328 CG LYS A 88 5.586 -10.027 -6.126 1.00 1.00 C ATOM 1329 CD LYS A 88 6.823 -10.555 -6.856 1.00 1.00 C ATOM 1330 CE LYS A 88 7.284 -11.869 -6.222 1.00 1.00 C ATOM 1331 NZ LYS A 88 8.477 -12.382 -6.956 1.00 1.00 N ATOM 0 H LYS A 88 2.644 -9.344 -7.339 1.00 1.00 H new ATOM 0 HA LYS A 88 4.054 -8.112 -5.039 1.00 1.00 H new ATOM 0 HB2 LYS A 88 4.972 -8.874 -7.845 1.00 1.00 H new ATOM 0 HB3 LYS A 88 5.954 -7.979 -6.702 1.00 1.00 H new ATOM 0 HG2 LYS A 88 5.809 -9.867 -5.071 1.00 1.00 H new ATOM 0 HG3 LYS A 88 4.778 -10.758 -6.174 1.00 1.00 H new ATOM 0 HD2 LYS A 88 6.594 -10.711 -7.910 1.00 1.00 H new ATOM 0 HD3 LYS A 88 7.625 -9.818 -6.809 1.00 1.00 H new ATOM 0 HE2 LYS A 88 7.529 -11.712 -5.172 1.00 1.00 H new ATOM 0 HE3 LYS A 88 6.479 -12.604 -6.255 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 8.791 -13.275 -6.526 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 8.228 -12.546 -7.952 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 9.245 -11.683 -6.902 1.00 1.00 H new ATOM 1345 N ILE A 89 3.418 -5.800 -5.829 1.00 1.00 N ATOM 1346 CA ILE A 89 3.106 -4.436 -6.282 1.00 1.00 C ATOM 1347 C ILE A 89 4.247 -3.492 -5.929 1.00 1.00 C ATOM 1348 O ILE A 89 4.658 -3.406 -4.773 1.00 1.00 O ATOM 1349 CB ILE A 89 1.807 -3.936 -5.625 1.00 1.00 C ATOM 1350 CG1 ILE A 89 1.980 -3.851 -4.083 1.00 1.00 C ATOM 1351 CG2 ILE A 89 0.667 -4.900 -5.977 1.00 1.00 C ATOM 1352 CD1 ILE A 89 2.256 -2.400 -3.651 1.00 1.00 C ATOM 0 H ILE A 89 3.506 -5.901 -4.818 1.00 1.00 H new ATOM 0 HA ILE A 89 2.974 -4.456 -7.364 1.00 1.00 H new ATOM 0 HB ILE A 89 1.572 -2.939 -5.998 1.00 1.00 H new ATOM 0 HG12 ILE A 89 1.080 -4.219 -3.589 1.00 1.00 H new ATOM 0 HG13 ILE A 89 2.802 -4.493 -3.767 1.00 1.00 H new ATOM 0 HG21 ILE A 89 -0.258 -4.554 -5.516 1.00 1.00 H new ATOM 0 HG22 ILE A 89 0.542 -4.935 -7.059 1.00 1.00 H new ATOM 0 HG23 ILE A 89 0.906 -5.897 -5.607 1.00 1.00 H new ATOM 0 HD11 ILE A 89 2.374 -2.359 -2.568 1.00 1.00 H new ATOM 0 HD12 ILE A 89 3.169 -2.045 -4.130 1.00 1.00 H new ATOM 0 HD13 ILE A 89 1.420 -1.767 -3.949 1.00 1.00 H new ATOM 1364 N ARG A 90 4.759 -2.784 -6.936 1.00 1.00 N ATOM 1365 CA ARG A 90 5.861 -1.843 -6.720 1.00 1.00 C ATOM 1366 C ARG A 90 5.322 -0.420 -6.698 1.00 1.00 C ATOM 1367 O ARG A 90 4.356 -0.103 -7.392 1.00 1.00 O ATOM 1368 CB ARG A 90 6.893 -1.972 -7.839 1.00 1.00 C ATOM 1369 CG ARG A 90 7.218 -3.447 -8.069 1.00 1.00 C ATOM 1370 CD ARG A 90 8.216 -3.570 -9.216 1.00 1.00 C ATOM 1371 NE ARG A 90 9.515 -3.038 -8.815 1.00 1.00 N ATOM 1372 CZ ARG A 90 10.530 -2.975 -9.673 1.00 1.00 C ATOM 1373 NH1 ARG A 90 10.365 -3.351 -10.911 1.00 1.00 N ATOM 1374 NH2 ARG A 90 11.691 -2.530 -9.276 1.00 1.00 N ATOM 0 H ARG A 90 4.433 -2.842 -7.901 1.00 1.00 H new ATOM 0 HA ARG A 90 6.336 -2.073 -5.766 1.00 1.00 H new ATOM 0 HB2 ARG A 90 6.507 -1.527 -8.756 1.00 1.00 H new ATOM 0 HB3 ARG A 90 7.799 -1.426 -7.576 1.00 1.00 H new ATOM 0 HG2 ARG A 90 7.633 -3.886 -7.162 1.00 1.00 H new ATOM 0 HG3 ARG A 90 6.308 -4.000 -8.303 1.00 1.00 H new ATOM 0 HD2 ARG A 90 8.318 -4.615 -9.508 1.00 1.00 H new ATOM 0 HD3 ARG A 90 7.847 -3.030 -10.088 1.00 1.00 H new ATOM 0 HE ARG A 90 9.647 -2.708 -7.859 1.00 1.00 H new ATOM 0 HH11 ARG A 90 9.457 -3.694 -11.223 1.00 1.00 H new ATOM 0 HH12 ARG A 90 11.144 -3.302 -11.567 1.00 1.00 H new ATOM 0 HH21 ARG A 90 11.819 -2.231 -8.309 1.00 1.00 H new ATOM 0 HH22 ARG A 90 12.470 -2.481 -9.933 1.00 1.00 H new ATOM 1388 N VAL A 91 5.945 0.432 -5.888 1.00 1.00 N ATOM 1389 CA VAL A 91 5.516 1.828 -5.765 1.00 1.00 C ATOM 1390 C VAL A 91 6.661 2.774 -6.101 1.00 1.00 C ATOM 1391 O VAL A 91 7.779 2.614 -5.612 1.00 1.00 O ATOM 1392 CB VAL A 91 5.041 2.095 -4.337 1.00 1.00 C ATOM 1393 CG1 VAL A 91 4.560 3.544 -4.206 1.00 1.00 C ATOM 1394 CG2 VAL A 91 3.893 1.136 -3.997 1.00 1.00 C ATOM 0 H VAL A 91 6.746 0.184 -5.308 1.00 1.00 H new ATOM 0 HA VAL A 91 4.699 2.002 -6.466 1.00 1.00 H new ATOM 0 HB VAL A 91 5.869 1.934 -3.646 1.00 1.00 H new ATOM 0 HG11 VAL A 91 4.223 3.725 -3.185 1.00 1.00 H new ATOM 0 HG12 VAL A 91 5.380 4.222 -4.443 1.00 1.00 H new ATOM 0 HG13 VAL A 91 3.734 3.717 -4.896 1.00 1.00 H new ATOM 0 HG21 VAL A 91 3.552 1.324 -2.979 1.00 1.00 H new ATOM 0 HG22 VAL A 91 3.068 1.295 -4.691 1.00 1.00 H new ATOM 0 HG23 VAL A 91 4.242 0.107 -4.079 1.00 1.00 H new ATOM 1404 N GLN A 92 6.366 3.766 -6.937 1.00 1.00 N ATOM 1405 CA GLN A 92 7.364 4.756 -7.341 1.00 1.00 C ATOM 1406 C GLN A 92 6.709 6.119 -7.531 1.00 1.00 C ATOM 1407 O GLN A 92 5.546 6.208 -7.923 1.00 1.00 O ATOM 1408 CB GLN A 92 8.035 4.321 -8.644 1.00 1.00 C ATOM 1409 CG GLN A 92 6.974 4.124 -9.728 1.00 1.00 C ATOM 1410 CD GLN A 92 7.631 3.662 -11.025 1.00 1.00 C ATOM 1411 OE1 GLN A 92 8.788 3.242 -11.020 1.00 1.00 O ATOM 1412 NE2 GLN A 92 6.956 3.712 -12.141 1.00 1.00 N ATOM 0 H GLN A 92 5.444 3.907 -7.349 1.00 1.00 H new ATOM 0 HA GLN A 92 8.117 4.831 -6.557 1.00 1.00 H new ATOM 0 HB2 GLN A 92 8.758 5.073 -8.961 1.00 1.00 H new ATOM 0 HB3 GLN A 92 8.587 3.394 -8.489 1.00 1.00 H new ATOM 0 HG2 GLN A 92 6.240 3.388 -9.400 1.00 1.00 H new ATOM 0 HG3 GLN A 92 6.436 5.057 -9.896 1.00 1.00 H new ATOM 0 HE21 GLN A 92 5.997 4.061 -12.142 1.00 1.00 H new ATOM 0 HE22 GLN A 92 7.387 3.403 -13.012 1.00 1.00 H new ATOM 1421 N GLY A 93 7.463 7.180 -7.251 1.00 1.00 N ATOM 1422 CA GLY A 93 6.951 8.545 -7.392 1.00 1.00 C ATOM 1423 C GLY A 93 7.015 9.286 -6.063 1.00 1.00 C ATOM 1424 O GLY A 93 7.666 8.839 -5.119 1.00 1.00 O ATOM 0 H GLY A 93 8.428 7.123 -6.926 1.00 1.00 H new ATOM 0 HA2 GLY A 93 7.534 9.081 -8.141 1.00 1.00 H new ATOM 0 HA3 GLY A 93 5.921 8.517 -7.749 1.00 1.00 H new ATOM 1428 N ASP A 94 6.331 10.420 -5.993 1.00 1.00 N ATOM 1429 CA ASP A 94 6.314 11.215 -4.771 1.00 1.00 C ATOM 1430 C ASP A 94 7.719 11.322 -4.174 1.00 1.00 C ATOM 1431 O ASP A 94 8.713 11.012 -4.834 1.00 1.00 O ATOM 1432 CB ASP A 94 5.361 10.581 -3.755 1.00 1.00 C ATOM 1433 CG ASP A 94 3.915 10.805 -4.186 1.00 1.00 C ATOM 1434 OD1 ASP A 94 3.692 11.641 -5.047 1.00 1.00 O ATOM 1435 OD2 ASP A 94 3.048 10.135 -3.650 1.00 1.00 O ATOM 0 H ASP A 94 5.784 10.809 -6.761 1.00 1.00 H new ATOM 0 HA ASP A 94 5.967 12.219 -5.015 1.00 1.00 H new ATOM 0 HB2 ASP A 94 5.563 9.513 -3.672 1.00 1.00 H new ATOM 0 HB3 ASP A 94 5.527 11.015 -2.769 1.00 1.00 H new ATOM 1440 N TRP A 95 7.796 11.780 -2.930 1.00 1.00 N ATOM 1441 CA TRP A 95 9.082 11.950 -2.256 1.00 1.00 C ATOM 1442 C TRP A 95 9.759 10.607 -1.961 1.00 1.00 C ATOM 1443 O TRP A 95 10.614 10.519 -1.083 1.00 1.00 O ATOM 1444 CB TRP A 95 8.882 12.733 -0.956 1.00 1.00 C ATOM 1445 CG TRP A 95 7.934 11.998 -0.063 1.00 1.00 C ATOM 1446 CD1 TRP A 95 6.585 12.060 -0.144 1.00 1.00 C ATOM 1447 CD2 TRP A 95 8.237 11.104 1.046 1.00 1.00 C ATOM 1448 NE1 TRP A 95 6.040 11.255 0.841 1.00 1.00 N ATOM 1449 CE2 TRP A 95 7.019 10.644 1.600 1.00 1.00 C ATOM 1450 CE3 TRP A 95 9.440 10.647 1.617 1.00 1.00 C ATOM 1451 CZ2 TRP A 95 6.994 9.766 2.684 1.00 1.00 C ATOM 1452 CZ3 TRP A 95 9.418 9.762 2.707 1.00 1.00 C ATOM 1453 CH2 TRP A 95 8.197 9.323 3.239 1.00 1.00 C ATOM 0 H TRP A 95 6.986 12.040 -2.367 1.00 1.00 H new ATOM 0 HA TRP A 95 9.738 12.505 -2.926 1.00 1.00 H new ATOM 0 HB2 TRP A 95 9.839 12.870 -0.452 1.00 1.00 H new ATOM 0 HB3 TRP A 95 8.493 13.727 -1.176 1.00 1.00 H new ATOM 0 HD1 TRP A 95 6.025 12.643 -0.860 1.00 1.00 H new ATOM 0 HE1 TRP A 95 5.039 11.128 0.988 1.00 1.00 H new ATOM 0 HE3 TRP A 95 10.385 10.979 1.214 1.00 1.00 H new ATOM 0 HZ2 TRP A 95 6.051 9.431 3.091 1.00 1.00 H new ATOM 0 HZ3 TRP A 95 10.346 9.418 3.138 1.00 1.00 H new ATOM 0 HH2 TRP A 95 8.187 8.643 4.078 1.00 1.00 H new ATOM 1464 N ILE A 96 9.379 9.566 -2.704 1.00 1.00 N ATOM 1465 CA ILE A 96 9.965 8.230 -2.520 1.00 1.00 C ATOM 1466 C ILE A 96 10.407 7.651 -3.867 1.00 1.00 C ATOM 1467 O ILE A 96 9.878 8.026 -4.915 1.00 1.00 O ATOM 1468 CB ILE A 96 8.939 7.302 -1.855 1.00 1.00 C ATOM 1469 CG1 ILE A 96 7.691 7.185 -2.741 1.00 1.00 C ATOM 1470 CG2 ILE A 96 8.536 7.885 -0.499 1.00 1.00 C ATOM 1471 CD1 ILE A 96 6.732 6.151 -2.144 1.00 1.00 C ATOM 0 H ILE A 96 8.671 9.618 -3.437 1.00 1.00 H new ATOM 0 HA ILE A 96 10.841 8.313 -1.877 1.00 1.00 H new ATOM 0 HB ILE A 96 9.382 6.315 -1.720 1.00 1.00 H new ATOM 0 HG12 ILE A 96 7.196 8.153 -2.819 1.00 1.00 H new ATOM 0 HG13 ILE A 96 7.976 6.891 -3.751 1.00 1.00 H new ATOM 0 HG21 ILE A 96 7.807 7.229 -0.023 1.00 1.00 H new ATOM 0 HG22 ILE A 96 9.417 7.970 0.137 1.00 1.00 H new ATOM 0 HG23 ILE A 96 8.096 8.872 -0.643 1.00 1.00 H new ATOM 0 HD11 ILE A 96 5.847 6.069 -2.774 1.00 1.00 H new ATOM 0 HD12 ILE A 96 7.229 5.183 -2.089 1.00 1.00 H new ATOM 0 HD13 ILE A 96 6.437 6.464 -1.143 1.00 1.00 H new ATOM 1483 N ARG A 97 11.375 6.733 -3.839 1.00 1.00 N ATOM 1484 CA ARG A 97 11.871 6.112 -5.074 1.00 1.00 C ATOM 1485 C ARG A 97 11.183 4.770 -5.305 1.00 1.00 C ATOM 1486 O ARG A 97 10.217 4.434 -4.623 1.00 1.00 O ATOM 1487 CB ARG A 97 13.381 5.893 -4.989 1.00 1.00 C ATOM 1488 CG ARG A 97 14.096 7.245 -4.974 1.00 1.00 C ATOM 1489 CD ARG A 97 15.600 7.019 -4.813 1.00 1.00 C ATOM 1490 NE ARG A 97 15.880 6.501 -3.479 1.00 1.00 N ATOM 1491 CZ ARG A 97 17.114 6.179 -3.109 1.00 1.00 C ATOM 1492 NH1 ARG A 97 18.099 6.272 -3.960 1.00 1.00 N ATOM 1493 NH2 ARG A 97 17.337 5.760 -1.893 1.00 1.00 N ATOM 0 H ARG A 97 11.828 6.404 -2.986 1.00 1.00 H new ATOM 0 HA ARG A 97 11.649 6.781 -5.905 1.00 1.00 H new ATOM 0 HB2 ARG A 97 13.627 5.330 -4.088 1.00 1.00 H new ATOM 0 HB3 ARG A 97 13.721 5.300 -5.838 1.00 1.00 H new ATOM 0 HG2 ARG A 97 13.895 7.786 -5.899 1.00 1.00 H new ATOM 0 HG3 ARG A 97 13.719 7.860 -4.156 1.00 1.00 H new ATOM 0 HD2 ARG A 97 15.955 6.317 -5.568 1.00 1.00 H new ATOM 0 HD3 ARG A 97 16.137 7.955 -4.970 1.00 1.00 H new ATOM 0 HE ARG A 97 15.113 6.384 -2.817 1.00 1.00 H new ATOM 0 HH11 ARG A 97 17.922 6.593 -4.912 1.00 1.00 H new ATOM 0 HH12 ARG A 97 19.046 6.024 -3.673 1.00 1.00 H new ATOM 0 HH21 ARG A 97 16.565 5.681 -1.231 1.00 1.00 H new ATOM 0 HH22 ARG A 97 18.283 5.512 -1.605 1.00 1.00 H new ATOM 1507 N GLU A 98 11.689 4.008 -6.270 1.00 1.00 N ATOM 1508 CA GLU A 98 11.108 2.708 -6.577 1.00 1.00 C ATOM 1509 C GLU A 98 11.299 1.750 -5.402 1.00 1.00 C ATOM 1510 O GLU A 98 12.410 1.570 -4.900 1.00 1.00 O ATOM 1511 CB GLU A 98 11.756 2.129 -7.837 1.00 1.00 C ATOM 1512 CG GLU A 98 11.000 0.874 -8.276 1.00 1.00 C ATOM 1513 CD GLU A 98 11.556 0.373 -9.604 1.00 1.00 C ATOM 1514 OE1 GLU A 98 12.627 0.818 -9.982 1.00 1.00 O ATOM 1515 OE2 GLU A 98 10.902 -0.449 -10.224 1.00 1.00 O ATOM 0 H GLU A 98 12.491 4.265 -6.846 1.00 1.00 H new ATOM 0 HA GLU A 98 10.040 2.835 -6.753 1.00 1.00 H new ATOM 0 HB2 GLU A 98 11.745 2.870 -8.636 1.00 1.00 H new ATOM 0 HB3 GLU A 98 12.801 1.886 -7.642 1.00 1.00 H new ATOM 0 HG2 GLU A 98 11.094 0.098 -7.516 1.00 1.00 H new ATOM 0 HG3 GLU A 98 9.937 1.095 -8.377 1.00 1.00 H new ATOM 1522 N ARG A 99 10.197 1.143 -4.973 1.00 1.00 N ATOM 1523 CA ARG A 99 10.204 0.196 -3.857 1.00 1.00 C ATOM 1524 C ARG A 99 9.431 -1.057 -4.261 1.00 1.00 C ATOM 1525 O ARG A 99 8.652 -1.023 -5.214 1.00 1.00 O ATOM 1526 CB ARG A 99 9.547 0.839 -2.635 1.00 1.00 C ATOM 1527 CG ARG A 99 10.413 1.987 -2.116 1.00 1.00 C ATOM 1528 CD ARG A 99 9.714 2.647 -0.924 1.00 1.00 C ATOM 1529 NE ARG A 99 10.496 3.779 -0.435 1.00 1.00 N ATOM 1530 CZ ARG A 99 11.459 3.620 0.468 1.00 1.00 C ATOM 1531 NH1 ARG A 99 11.728 2.430 0.936 1.00 1.00 N ATOM 1532 NH2 ARG A 99 12.133 4.653 0.888 1.00 1.00 N ATOM 0 H ARG A 99 9.276 1.291 -5.385 1.00 1.00 H new ATOM 0 HA ARG A 99 11.231 -0.073 -3.608 1.00 1.00 H new ATOM 0 HB2 ARG A 99 8.557 1.210 -2.898 1.00 1.00 H new ATOM 0 HB3 ARG A 99 9.410 0.094 -1.852 1.00 1.00 H new ATOM 0 HG2 ARG A 99 11.392 1.613 -1.817 1.00 1.00 H new ATOM 0 HG3 ARG A 99 10.579 2.719 -2.906 1.00 1.00 H new ATOM 0 HD2 ARG A 99 8.720 2.984 -1.219 1.00 1.00 H new ATOM 0 HD3 ARG A 99 9.579 1.918 -0.125 1.00 1.00 H new ATOM 0 HE ARG A 99 10.299 4.713 -0.794 1.00 1.00 H new ATOM 0 HH11 ARG A 99 11.199 1.622 0.609 1.00 1.00 H new ATOM 0 HH12 ARG A 99 12.467 2.309 1.629 1.00 1.00 H new ATOM 0 HH21 ARG A 99 11.922 5.582 0.524 1.00 1.00 H new ATOM 0 HH22 ARG A 99 12.872 4.532 1.581 1.00 1.00 H new ATOM 1546 N ARG A 100 9.652 -2.168 -3.554 1.00 1.00 N ATOM 1547 CA ARG A 100 8.969 -3.427 -3.880 1.00 1.00 C ATOM 1548 C ARG A 100 8.201 -3.963 -2.669 1.00 1.00 C ATOM 1549 O ARG A 100 8.643 -3.827 -1.528 1.00 1.00 O ATOM 1550 CB ARG A 100 10.003 -4.451 -4.341 1.00 1.00 C ATOM 1551 CG ARG A 100 10.622 -3.990 -5.664 1.00 1.00 C ATOM 1552 CD ARG A 100 11.679 -5.006 -6.093 1.00 1.00 C ATOM 1553 NE ARG A 100 12.302 -4.632 -7.364 1.00 1.00 N ATOM 1554 CZ ARG A 100 13.324 -3.780 -7.409 1.00 1.00 C ATOM 1555 NH1 ARG A 100 13.615 -3.050 -6.367 1.00 1.00 N ATOM 1556 NH2 ARG A 100 14.009 -3.639 -8.513 1.00 1.00 N ATOM 0 H ARG A 100 10.291 -2.224 -2.761 1.00 1.00 H new ATOM 0 HA ARG A 100 8.250 -3.243 -4.678 1.00 1.00 H new ATOM 0 HB2 ARG A 100 10.779 -4.566 -3.584 1.00 1.00 H new ATOM 0 HB3 ARG A 100 9.534 -5.427 -4.467 1.00 1.00 H new ATOM 0 HG2 ARG A 100 9.852 -3.900 -6.430 1.00 1.00 H new ATOM 0 HG3 ARG A 100 11.072 -3.004 -5.547 1.00 1.00 H new ATOM 0 HD2 ARG A 100 12.444 -5.083 -5.321 1.00 1.00 H new ATOM 0 HD3 ARG A 100 11.221 -5.991 -6.188 1.00 1.00 H new ATOM 0 HE ARG A 100 11.946 -5.032 -8.232 1.00 1.00 H new ATOM 0 HH11 ARG A 100 13.059 -3.132 -5.516 1.00 1.00 H new ATOM 0 HH12 ARG A 100 14.398 -2.398 -6.404 1.00 1.00 H new ATOM 0 HH21 ARG A 100 13.761 -4.182 -9.340 1.00 1.00 H new ATOM 0 HH22 ARG A 100 14.792 -2.986 -8.548 1.00 1.00 H new ATOM 1570 N PHE A 101 7.039 -4.569 -2.934 1.00 1.00 N ATOM 1571 CA PHE A 101 6.194 -5.122 -1.874 1.00 1.00 C ATOM 1572 C PHE A 101 5.523 -6.407 -2.359 1.00 1.00 C ATOM 1573 O PHE A 101 5.354 -6.611 -3.561 1.00 1.00 O ATOM 1574 CB PHE A 101 5.114 -4.110 -1.489 1.00 1.00 C ATOM 1575 CG PHE A 101 5.747 -2.825 -1.012 1.00 1.00 C ATOM 1576 CD1 PHE A 101 6.145 -2.685 0.324 1.00 1.00 C ATOM 1577 CD2 PHE A 101 5.928 -1.766 -1.910 1.00 1.00 C ATOM 1578 CE1 PHE A 101 6.725 -1.486 0.758 1.00 1.00 C ATOM 1579 CE2 PHE A 101 6.507 -0.570 -1.473 1.00 1.00 C ATOM 1580 CZ PHE A 101 6.906 -0.429 -0.140 1.00 1.00 C ATOM 0 H PHE A 101 6.663 -4.688 -3.875 1.00 1.00 H new ATOM 0 HA PHE A 101 6.818 -5.340 -1.007 1.00 1.00 H new ATOM 0 HB2 PHE A 101 4.471 -3.910 -2.346 1.00 1.00 H new ATOM 0 HB3 PHE A 101 4.481 -4.524 -0.705 1.00 1.00 H new ATOM 0 HD1 PHE A 101 6.005 -3.500 1.018 1.00 1.00 H new ATOM 0 HD2 PHE A 101 5.621 -1.873 -2.940 1.00 1.00 H new ATOM 0 HE1 PHE A 101 7.033 -1.378 1.788 1.00 1.00 H new ATOM 0 HE2 PHE A 101 6.646 0.246 -2.166 1.00 1.00 H new ATOM 0 HZ PHE A 101 7.353 0.495 0.196 1.00 1.00 H new ATOM 1590 N GLU A 102 5.142 -7.274 -1.420 1.00 1.00 N ATOM 1591 CA GLU A 102 4.492 -8.540 -1.767 1.00 1.00 C ATOM 1592 C GLU A 102 3.340 -8.840 -0.808 1.00 1.00 C ATOM 1593 O GLU A 102 3.401 -8.508 0.373 1.00 1.00 O ATOM 1594 CB GLU A 102 5.521 -9.673 -1.711 1.00 1.00 C ATOM 1595 CG GLU A 102 4.880 -10.987 -2.164 1.00 1.00 C ATOM 1596 CD GLU A 102 5.910 -12.110 -2.113 1.00 1.00 C ATOM 1597 OE1 GLU A 102 7.085 -11.805 -1.996 1.00 1.00 O ATOM 1598 OE2 GLU A 102 5.508 -13.259 -2.187 1.00 1.00 O ATOM 0 H GLU A 102 5.271 -7.125 -0.419 1.00 1.00 H new ATOM 0 HA GLU A 102 4.087 -8.460 -2.776 1.00 1.00 H new ATOM 0 HB2 GLU A 102 6.371 -9.435 -2.350 1.00 1.00 H new ATOM 0 HB3 GLU A 102 5.904 -9.777 -0.696 1.00 1.00 H new ATOM 0 HG2 GLU A 102 4.033 -11.229 -1.522 1.00 1.00 H new ATOM 0 HG3 GLU A 102 4.492 -10.883 -3.177 1.00 1.00 H new ATOM 1605 N ILE A 103 2.292 -9.481 -1.333 1.00 1.00 N ATOM 1606 CA ILE A 103 1.120 -9.843 -0.532 1.00 1.00 C ATOM 1607 C ILE A 103 0.832 -11.339 -0.708 1.00 1.00 C ATOM 1608 O ILE A 103 0.114 -11.717 -1.633 1.00 1.00 O ATOM 1609 CB ILE A 103 -0.102 -9.039 -0.997 1.00 1.00 C ATOM 1610 CG1 ILE A 103 0.210 -7.522 -0.968 1.00 1.00 C ATOM 1611 CG2 ILE A 103 -1.295 -9.354 -0.085 1.00 1.00 C ATOM 1612 CD1 ILE A 103 0.041 -6.942 0.447 1.00 1.00 C ATOM 0 H ILE A 103 2.232 -9.760 -2.312 1.00 1.00 H new ATOM 0 HA ILE A 103 1.320 -9.621 0.516 1.00 1.00 H new ATOM 0 HB ILE A 103 -0.348 -9.319 -2.021 1.00 1.00 H new ATOM 0 HG12 ILE A 103 1.230 -7.352 -1.313 1.00 1.00 H new ATOM 0 HG13 ILE A 103 -0.452 -6.999 -1.659 1.00 1.00 H new ATOM 0 HG21 ILE A 103 -2.164 -8.784 -0.413 1.00 1.00 H new ATOM 0 HG22 ILE A 103 -1.520 -10.419 -0.135 1.00 1.00 H new ATOM 0 HG23 ILE A 103 -1.050 -9.082 0.942 1.00 1.00 H new ATOM 0 HD11 ILE A 103 0.267 -5.876 0.433 1.00 1.00 H new ATOM 0 HD12 ILE A 103 -0.986 -7.090 0.781 1.00 1.00 H new ATOM 0 HD13 ILE A 103 0.722 -7.448 1.131 1.00 1.00 H new ATOM 1624 N PRO A 104 1.388 -12.204 0.118 1.00 1.00 N ATOM 1625 CA PRO A 104 1.177 -13.679 -0.024 1.00 1.00 C ATOM 1626 C PRO A 104 -0.257 -14.101 0.290 1.00 1.00 C ATOM 1627 O PRO A 104 -0.676 -15.204 -0.061 1.00 1.00 O ATOM 1628 CB PRO A 104 2.185 -14.297 0.959 1.00 1.00 C ATOM 1629 CG PRO A 104 2.435 -13.237 1.983 1.00 1.00 C ATOM 1630 CD PRO A 104 2.261 -11.890 1.271 1.00 1.00 C ATOM 0 HA PRO A 104 1.332 -14.014 -1.049 1.00 1.00 H new ATOM 0 HB2 PRO A 104 1.784 -15.201 1.418 1.00 1.00 H new ATOM 0 HB3 PRO A 104 3.107 -14.579 0.451 1.00 1.00 H new ATOM 0 HG2 PRO A 104 1.736 -13.329 2.814 1.00 1.00 H new ATOM 0 HG3 PRO A 104 3.438 -13.329 2.399 1.00 1.00 H new ATOM 0 HD2 PRO A 104 1.805 -11.148 1.927 1.00 1.00 H new ATOM 0 HD3 PRO A 104 3.219 -11.483 0.947 1.00 1.00 H new ATOM 1638 N ASP A 105 -1.008 -13.223 0.943 1.00 1.00 N ATOM 1639 CA ASP A 105 -2.394 -13.521 1.284 1.00 1.00 C ATOM 1640 C ASP A 105 -3.298 -13.117 0.128 1.00 1.00 C ATOM 1641 O ASP A 105 -3.592 -11.943 -0.059 1.00 1.00 O ATOM 1642 CB ASP A 105 -2.784 -12.764 2.553 1.00 1.00 C ATOM 1643 CG ASP A 105 -2.089 -13.386 3.760 1.00 1.00 C ATOM 1644 OD1 ASP A 105 -1.475 -14.427 3.593 1.00 1.00 O ATOM 1645 OD2 ASP A 105 -2.177 -12.810 4.831 1.00 1.00 O ATOM 0 H ASP A 105 -0.684 -12.304 1.246 1.00 1.00 H new ATOM 0 HA ASP A 105 -2.506 -14.590 1.465 1.00 1.00 H new ATOM 0 HB2 ASP A 105 -2.504 -11.714 2.462 1.00 1.00 H new ATOM 0 HB3 ASP A 105 -3.865 -12.795 2.688 1.00 1.00 H new ATOM 1650 N GLU A 106 -3.706 -14.106 -0.660 1.00 1.00 N ATOM 1651 CA GLU A 106 -4.546 -13.858 -1.830 1.00 1.00 C ATOM 1652 C GLU A 106 -5.864 -13.187 -1.461 1.00 1.00 C ATOM 1653 O GLU A 106 -6.210 -12.152 -2.024 1.00 1.00 O ATOM 1654 CB GLU A 106 -4.829 -15.185 -2.541 1.00 1.00 C ATOM 1655 CG GLU A 106 -5.646 -14.939 -3.813 1.00 1.00 C ATOM 1656 CD GLU A 106 -5.845 -16.255 -4.560 1.00 1.00 C ATOM 1657 OE1 GLU A 106 -5.553 -17.289 -3.983 1.00 1.00 O ATOM 1658 OE2 GLU A 106 -6.285 -16.207 -5.696 1.00 1.00 O ATOM 0 H GLU A 106 -3.470 -15.087 -0.511 1.00 1.00 H new ATOM 0 HA GLU A 106 -4.005 -13.179 -2.489 1.00 1.00 H new ATOM 0 HB2 GLU A 106 -3.890 -15.679 -2.793 1.00 1.00 H new ATOM 0 HB3 GLU A 106 -5.373 -15.855 -1.874 1.00 1.00 H new ATOM 0 HG2 GLU A 106 -6.613 -14.505 -3.557 1.00 1.00 H new ATOM 0 HG3 GLU A 106 -5.133 -14.221 -4.453 1.00 1.00 H new ATOM 1665 N GLU A 107 -6.604 -13.772 -0.528 1.00 1.00 N ATOM 1666 CA GLU A 107 -7.887 -13.199 -0.136 1.00 1.00 C ATOM 1667 C GLU A 107 -7.727 -11.731 0.245 1.00 1.00 C ATOM 1668 O GLU A 107 -8.543 -10.890 -0.134 1.00 1.00 O ATOM 1669 CB GLU A 107 -8.490 -13.992 1.029 1.00 1.00 C ATOM 1670 CG GLU A 107 -7.558 -13.945 2.242 1.00 1.00 C ATOM 1671 CD GLU A 107 -8.104 -14.842 3.348 1.00 1.00 C ATOM 1672 OE1 GLU A 107 -9.314 -14.955 3.448 1.00 1.00 O ATOM 1673 OE2 GLU A 107 -7.303 -15.403 4.079 1.00 1.00 O ATOM 0 H GLU A 107 -6.345 -14.627 -0.036 1.00 1.00 H new ATOM 0 HA GLU A 107 -8.566 -13.259 -0.987 1.00 1.00 H new ATOM 0 HB2 GLU A 107 -9.463 -13.579 1.294 1.00 1.00 H new ATOM 0 HB3 GLU A 107 -8.654 -15.027 0.727 1.00 1.00 H new ATOM 0 HG2 GLU A 107 -6.558 -14.272 1.957 1.00 1.00 H new ATOM 0 HG3 GLU A 107 -7.468 -12.921 2.603 1.00 1.00 H new ATOM 1680 N HIS A 108 -6.669 -11.425 0.978 1.00 1.00 N ATOM 1681 CA HIS A 108 -6.406 -10.053 1.386 1.00 1.00 C ATOM 1682 C HIS A 108 -5.958 -9.221 0.188 1.00 1.00 C ATOM 1683 O HIS A 108 -6.293 -8.041 0.077 1.00 1.00 O ATOM 1684 CB HIS A 108 -5.317 -10.031 2.456 1.00 1.00 C ATOM 1685 CG HIS A 108 -5.840 -10.595 3.757 1.00 1.00 C ATOM 1686 ND1 HIS A 108 -7.108 -10.905 4.195 1.00 1.00 N flip ATOM 1687 CD2 HIS A 108 -4.994 -10.912 4.808 1.00 1.00 C flip ATOM 1688 CE1 HIS A 108 -7.047 -11.400 5.494 1.00 1.00 C flip ATOM 1689 NE2 HIS A 108 -5.752 -11.385 5.814 1.00 1.00 N flip ATOM 0 H HIS A 108 -5.980 -12.104 1.302 1.00 1.00 H new ATOM 0 HA HIS A 108 -7.324 -9.627 1.791 1.00 1.00 H new ATOM 0 HB2 HIS A 108 -4.458 -10.612 2.121 1.00 1.00 H new ATOM 0 HB3 HIS A 108 -4.970 -9.009 2.609 1.00 1.00 H new ATOM 0 HD2 HIS A 108 -3.920 -10.800 4.818 1.00 1.00 H new ATOM 0 HE1 HIS A 108 -7.871 -11.726 6.111 1.00 1.00 H new ATOM 0 HE2 HIS A 108 -5.381 -11.695 6.712 1.00 1.00 H new ATOM 1697 N CYS A 109 -5.190 -9.840 -0.702 1.00 1.00 N ATOM 1698 CA CYS A 109 -4.686 -9.148 -1.883 1.00 1.00 C ATOM 1699 C CYS A 109 -5.832 -8.624 -2.742 1.00 1.00 C ATOM 1700 O CYS A 109 -5.727 -7.559 -3.344 1.00 1.00 O ATOM 1701 CB CYS A 109 -3.788 -10.092 -2.708 1.00 1.00 C ATOM 1702 SG CYS A 109 -2.528 -9.132 -3.588 1.00 1.00 S ATOM 0 H CYS A 109 -4.904 -10.816 -0.629 1.00 1.00 H new ATOM 0 HA CYS A 109 -4.095 -8.294 -1.551 1.00 1.00 H new ATOM 0 HB2 CYS A 109 -3.311 -10.820 -2.052 1.00 1.00 H new ATOM 0 HB3 CYS A 109 -4.393 -10.653 -3.420 1.00 1.00 H new ATOM 1707 N LEU A 110 -6.916 -9.378 -2.812 1.00 1.00 N ATOM 1708 CA LEU A 110 -8.050 -8.964 -3.627 1.00 1.00 C ATOM 1709 C LEU A 110 -8.656 -7.667 -3.119 1.00 1.00 C ATOM 1710 O LEU A 110 -8.982 -6.780 -3.904 1.00 1.00 O ATOM 1711 CB LEU A 110 -9.136 -10.036 -3.605 1.00 1.00 C ATOM 1712 CG LEU A 110 -8.619 -11.338 -4.221 1.00 1.00 C ATOM 1713 CD1 LEU A 110 -9.731 -12.393 -4.147 1.00 1.00 C ATOM 1714 CD2 LEU A 110 -8.215 -11.107 -5.690 1.00 1.00 C ATOM 0 H LEU A 110 -7.037 -10.266 -2.324 1.00 1.00 H new ATOM 0 HA LEU A 110 -7.679 -8.816 -4.641 1.00 1.00 H new ATOM 0 HB2 LEU A 110 -9.457 -10.215 -2.579 1.00 1.00 H new ATOM 0 HB3 LEU A 110 -10.010 -9.688 -4.156 1.00 1.00 H new ATOM 0 HG LEU A 110 -7.743 -11.681 -3.671 1.00 1.00 H new ATOM 0 HD11 LEU A 110 -9.376 -13.327 -4.583 1.00 1.00 H new ATOM 0 HD12 LEU A 110 -10.005 -12.560 -3.105 1.00 1.00 H new ATOM 0 HD13 LEU A 110 -10.602 -12.043 -4.700 1.00 1.00 H new ATOM 0 HD21 LEU A 110 -7.849 -12.040 -6.118 1.00 1.00 H new ATOM 0 HD22 LEU A 110 -9.081 -10.764 -6.256 1.00 1.00 H new ATOM 0 HD23 LEU A 110 -7.429 -10.353 -5.737 1.00 1.00 H new ATOM 1726 N LYS A 111 -8.828 -7.565 -1.810 1.00 1.00 N ATOM 1727 CA LYS A 111 -9.421 -6.367 -1.247 1.00 1.00 C ATOM 1728 C LYS A 111 -8.494 -5.176 -1.445 1.00 1.00 C ATOM 1729 O LYS A 111 -8.927 -4.087 -1.820 1.00 1.00 O ATOM 1730 CB LYS A 111 -9.687 -6.555 0.249 1.00 1.00 C ATOM 1731 CG LYS A 111 -10.535 -7.812 0.479 1.00 1.00 C ATOM 1732 CD LYS A 111 -11.894 -7.677 -0.219 1.00 1.00 C ATOM 1733 CE LYS A 111 -12.857 -8.721 0.347 1.00 1.00 C ATOM 1734 NZ LYS A 111 -12.337 -10.082 0.038 1.00 1.00 N ATOM 0 H LYS A 111 -8.571 -8.282 -1.132 1.00 1.00 H new ATOM 0 HA LYS A 111 -10.365 -6.181 -1.760 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -8.743 -6.641 0.786 1.00 1.00 H new ATOM 0 HB3 LYS A 111 -10.202 -5.681 0.647 1.00 1.00 H new ATOM 0 HG2 LYS A 111 -10.009 -8.688 0.098 1.00 1.00 H new ATOM 0 HG3 LYS A 111 -10.682 -7.968 1.548 1.00 1.00 H new ATOM 0 HD2 LYS A 111 -12.296 -6.675 -0.068 1.00 1.00 H new ATOM 0 HD3 LYS A 111 -11.779 -7.816 -1.294 1.00 1.00 H new ATOM 0 HE2 LYS A 111 -12.959 -8.593 1.425 1.00 1.00 H new ATOM 0 HE3 LYS A 111 -13.849 -8.591 -0.085 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 -13.085 -10.785 0.203 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 -12.038 -10.122 -0.957 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 -11.524 -10.291 0.653 1.00 1.00 H new ATOM 1748 N PHE A 112 -7.214 -5.401 -1.177 1.00 1.00 N ATOM 1749 CA PHE A 112 -6.209 -4.359 -1.309 1.00 1.00 C ATOM 1750 C PHE A 112 -6.125 -3.852 -2.746 1.00 1.00 C ATOM 1751 O PHE A 112 -6.139 -2.644 -2.985 1.00 1.00 O ATOM 1752 CB PHE A 112 -4.850 -4.926 -0.873 1.00 1.00 C ATOM 1753 CG PHE A 112 -3.730 -3.980 -1.252 1.00 1.00 C ATOM 1754 CD1 PHE A 112 -3.547 -2.782 -0.549 1.00 1.00 C ATOM 1755 CD2 PHE A 112 -2.874 -4.306 -2.311 1.00 1.00 C ATOM 1756 CE1 PHE A 112 -2.510 -1.913 -0.909 1.00 1.00 C ATOM 1757 CE2 PHE A 112 -1.841 -3.437 -2.669 1.00 1.00 C ATOM 1758 CZ PHE A 112 -1.657 -2.242 -1.968 1.00 1.00 C ATOM 0 H PHE A 112 -6.848 -6.301 -0.866 1.00 1.00 H new ATOM 0 HA PHE A 112 -6.487 -3.517 -0.675 1.00 1.00 H new ATOM 0 HB2 PHE A 112 -4.847 -5.088 0.205 1.00 1.00 H new ATOM 0 HB3 PHE A 112 -4.688 -5.896 -1.342 1.00 1.00 H new ATOM 0 HD1 PHE A 112 -4.205 -2.529 0.269 1.00 1.00 H new ATOM 0 HD2 PHE A 112 -3.013 -5.231 -2.852 1.00 1.00 H new ATOM 0 HE1 PHE A 112 -2.368 -0.988 -0.369 1.00 1.00 H new ATOM 0 HE2 PHE A 112 -1.184 -3.689 -3.488 1.00 1.00 H new ATOM 0 HZ PHE A 112 -0.856 -1.572 -2.244 1.00 1.00 H new ATOM 1768 N LEU A 113 -6.026 -4.774 -3.694 1.00 1.00 N ATOM 1769 CA LEU A 113 -5.922 -4.391 -5.096 1.00 1.00 C ATOM 1770 C LEU A 113 -7.199 -3.719 -5.589 1.00 1.00 C ATOM 1771 O LEU A 113 -7.142 -2.725 -6.312 1.00 1.00 O ATOM 1772 CB LEU A 113 -5.611 -5.623 -5.949 1.00 1.00 C ATOM 1773 CG LEU A 113 -4.211 -6.152 -5.602 1.00 1.00 C ATOM 1774 CD1 LEU A 113 -3.980 -7.475 -6.341 1.00 1.00 C ATOM 1775 CD2 LEU A 113 -3.125 -5.126 -6.002 1.00 1.00 C ATOM 0 H LEU A 113 -6.015 -5.779 -3.522 1.00 1.00 H new ATOM 0 HA LEU A 113 -5.110 -3.670 -5.190 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -6.357 -6.398 -5.772 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -5.662 -5.367 -7.007 1.00 1.00 H new ATOM 0 HG LEU A 113 -4.146 -6.313 -4.526 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -2.988 -7.858 -6.100 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -4.733 -8.200 -6.033 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -4.054 -7.309 -7.416 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -2.141 -5.520 -5.748 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -3.176 -4.942 -7.075 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -3.292 -4.192 -5.465 1.00 1.00 H new ATOM 1787 N SER A 114 -8.345 -4.265 -5.204 1.00 1.00 N ATOM 1788 CA SER A 114 -9.622 -3.702 -5.627 1.00 1.00 C ATOM 1789 C SER A 114 -9.811 -2.284 -5.092 1.00 1.00 C ATOM 1790 O SER A 114 -10.266 -1.396 -5.811 1.00 1.00 O ATOM 1791 CB SER A 114 -10.768 -4.592 -5.137 1.00 1.00 C ATOM 1792 OG SER A 114 -10.682 -5.862 -5.772 1.00 1.00 O ATOM 0 H SER A 114 -8.418 -5.088 -4.606 1.00 1.00 H new ATOM 0 HA SER A 114 -9.626 -3.658 -6.716 1.00 1.00 H new ATOM 0 HB2 SER A 114 -10.715 -4.710 -4.055 1.00 1.00 H new ATOM 0 HB3 SER A 114 -11.727 -4.125 -5.360 1.00 1.00 H new ATOM 0 HG SER A 114 -10.042 -6.426 -5.290 1.00 1.00 H new ATOM 1798 N ALA A 115 -9.475 -2.084 -3.821 1.00 1.00 N ATOM 1799 CA ALA A 115 -9.627 -0.773 -3.194 1.00 1.00 C ATOM 1800 C ALA A 115 -8.631 0.241 -3.771 1.00 1.00 C ATOM 1801 O ALA A 115 -9.009 1.354 -4.140 1.00 1.00 O ATOM 1802 CB ALA A 115 -9.438 -0.907 -1.675 1.00 1.00 C ATOM 0 H ALA A 115 -9.098 -2.807 -3.208 1.00 1.00 H new ATOM 0 HA ALA A 115 -10.630 -0.403 -3.404 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -9.551 0.071 -1.207 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -10.187 -1.590 -1.274 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -8.442 -1.297 -1.465 1.00 1.00 H new ATOM 1808 N VAL A 116 -7.362 -0.149 -3.844 1.00 1.00 N ATOM 1809 CA VAL A 116 -6.322 0.737 -4.377 1.00 1.00 C ATOM 1810 C VAL A 116 -6.572 1.041 -5.851 1.00 1.00 C ATOM 1811 O VAL A 116 -6.435 2.184 -6.287 1.00 1.00 O ATOM 1812 CB VAL A 116 -4.942 0.091 -4.199 1.00 1.00 C ATOM 1813 CG1 VAL A 116 -3.881 0.895 -4.965 1.00 1.00 C ATOM 1814 CG2 VAL A 116 -4.582 0.073 -2.712 1.00 1.00 C ATOM 0 H VAL A 116 -7.027 -1.065 -3.544 1.00 1.00 H new ATOM 0 HA VAL A 116 -6.352 1.676 -3.824 1.00 1.00 H new ATOM 0 HB VAL A 116 -4.971 -0.927 -4.589 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -2.905 0.428 -4.832 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -4.133 0.913 -6.025 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -3.851 1.915 -4.582 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -3.602 -0.385 -2.580 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -4.559 1.094 -2.331 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -5.328 -0.502 -2.164 1.00 1.00 H new ATOM 1824 N LEU A 117 -6.930 0.017 -6.614 1.00 1.00 N ATOM 1825 CA LEU A 117 -7.184 0.202 -8.036 1.00 1.00 C ATOM 1826 C LEU A 117 -8.307 1.206 -8.244 1.00 1.00 C ATOM 1827 O LEU A 117 -8.208 2.102 -9.084 1.00 1.00 O ATOM 1828 CB LEU A 117 -7.575 -1.140 -8.662 1.00 1.00 C ATOM 1829 CG LEU A 117 -7.985 -0.949 -10.129 1.00 1.00 C ATOM 1830 CD1 LEU A 117 -6.851 -0.263 -10.903 1.00 1.00 C ATOM 1831 CD2 LEU A 117 -8.273 -2.323 -10.738 1.00 1.00 C ATOM 0 H LEU A 117 -7.050 -0.939 -6.278 1.00 1.00 H new ATOM 0 HA LEU A 117 -6.279 0.581 -8.512 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -6.738 -1.835 -8.600 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -8.399 -1.583 -8.103 1.00 1.00 H new ATOM 0 HG LEU A 117 -8.875 -0.323 -10.187 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -7.149 -0.131 -11.943 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -6.644 0.710 -10.458 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -5.954 -0.881 -10.858 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -8.566 -2.204 -11.781 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -7.377 -2.941 -10.681 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -9.081 -2.803 -10.186 1.00 1.00 H new ATOM 1843 N ALA A 118 -9.371 1.046 -7.476 1.00 1.00 N ATOM 1844 CA ALA A 118 -10.516 1.936 -7.576 1.00 1.00 C ATOM 1845 C ALA A 118 -10.107 3.366 -7.238 1.00 1.00 C ATOM 1846 O ALA A 118 -10.583 4.320 -7.855 1.00 1.00 O ATOM 1847 CB ALA A 118 -11.618 1.475 -6.621 1.00 1.00 C ATOM 0 H ALA A 118 -9.466 0.309 -6.777 1.00 1.00 H new ATOM 0 HA ALA A 118 -10.891 1.909 -8.599 1.00 1.00 H new ATOM 0 HB1 ALA A 118 -12.473 2.146 -6.701 1.00 1.00 H new ATOM 0 HB2 ALA A 118 -11.926 0.463 -6.882 1.00 1.00 H new ATOM 0 HB3 ALA A 118 -11.242 1.487 -5.598 1.00 1.00 H new ATOM 1853 N ALA A 119 -9.221 3.511 -6.257 1.00 1.00 N ATOM 1854 CA ALA A 119 -8.758 4.832 -5.856 1.00 1.00 C ATOM 1855 C ALA A 119 -8.031 5.525 -7.006 1.00 1.00 C ATOM 1856 O ALA A 119 -8.317 6.678 -7.322 1.00 1.00 O ATOM 1857 CB ALA A 119 -7.818 4.714 -4.653 1.00 1.00 C ATOM 0 H ALA A 119 -8.814 2.738 -5.731 1.00 1.00 H new ATOM 0 HA ALA A 119 -9.628 5.429 -5.582 1.00 1.00 H new ATOM 0 HB1 ALA A 119 -7.476 5.707 -4.360 1.00 1.00 H new ATOM 0 HB2 ALA A 119 -8.349 4.252 -3.820 1.00 1.00 H new ATOM 0 HB3 ALA A 119 -6.959 4.099 -4.921 1.00 1.00 H new ATOM 1863 N GLN A 120 -7.094 4.815 -7.632 1.00 1.00 N ATOM 1864 CA GLN A 120 -6.339 5.384 -8.749 1.00 1.00 C ATOM 1865 C GLN A 120 -7.237 5.608 -9.958 1.00 1.00 C ATOM 1866 O GLN A 120 -7.093 6.599 -10.675 1.00 1.00 O ATOM 1867 CB GLN A 120 -5.168 4.474 -9.130 1.00 1.00 C ATOM 1868 CG GLN A 120 -4.077 4.568 -8.058 1.00 1.00 C ATOM 1869 CD GLN A 120 -2.902 3.667 -8.418 1.00 1.00 C ATOM 1870 OE1 GLN A 120 -3.071 2.459 -8.579 1.00 1.00 O ATOM 1871 NE2 GLN A 120 -1.709 4.188 -8.546 1.00 1.00 N ATOM 0 H GLN A 120 -6.841 3.857 -7.390 1.00 1.00 H new ATOM 0 HA GLN A 120 -5.946 6.348 -8.427 1.00 1.00 H new ATOM 0 HB2 GLN A 120 -5.511 3.444 -9.226 1.00 1.00 H new ATOM 0 HB3 GLN A 120 -4.766 4.768 -10.100 1.00 1.00 H new ATOM 0 HG2 GLN A 120 -3.738 5.600 -7.965 1.00 1.00 H new ATOM 0 HG3 GLN A 120 -4.484 4.277 -7.089 1.00 1.00 H new ATOM 0 HE21 GLN A 120 -1.573 5.190 -8.412 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -0.915 3.592 -8.780 1.00 1.00 H new ATOM 1880 N LYS A 121 -8.163 4.686 -10.179 1.00 1.00 N ATOM 1881 CA LYS A 121 -9.082 4.790 -11.297 1.00 1.00 C ATOM 1882 C LYS A 121 -9.903 6.071 -11.182 1.00 1.00 C ATOM 1883 O LYS A 121 -10.100 6.788 -12.163 1.00 1.00 O ATOM 1884 CB LYS A 121 -10.003 3.575 -11.277 1.00 1.00 C ATOM 1885 CG LYS A 121 -10.940 3.590 -12.487 1.00 1.00 C ATOM 1886 CD LYS A 121 -11.962 2.458 -12.350 1.00 1.00 C ATOM 1887 CE LYS A 121 -11.326 1.108 -12.704 1.00 1.00 C ATOM 1888 NZ LYS A 121 -12.395 0.070 -12.803 1.00 1.00 N ATOM 0 H LYS A 121 -8.296 3.859 -9.597 1.00 1.00 H new ATOM 0 HA LYS A 121 -8.527 4.822 -12.234 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -9.409 2.661 -11.282 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -10.588 3.570 -10.357 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -11.451 4.551 -12.554 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -10.367 3.469 -13.406 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -12.345 2.429 -11.330 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -12.812 2.648 -13.005 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -10.787 1.183 -13.649 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -10.598 0.825 -11.944 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -11.967 -0.847 -13.043 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -12.890 -0.007 -11.892 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -13.073 0.340 -13.544 1.00 1.00 H new ATOM 1902 N ALA A 122 -10.387 6.344 -9.975 1.00 1.00 N ATOM 1903 CA ALA A 122 -11.197 7.534 -9.734 1.00 1.00 C ATOM 1904 C ALA A 122 -10.398 8.813 -9.986 1.00 1.00 C ATOM 1905 O ALA A 122 -10.926 9.783 -10.530 1.00 1.00 O ATOM 1906 CB ALA A 122 -11.707 7.534 -8.292 1.00 1.00 C ATOM 0 H ALA A 122 -10.234 5.761 -9.152 1.00 1.00 H new ATOM 0 HA ALA A 122 -12.038 7.510 -10.427 1.00 1.00 H new ATOM 0 HB1 ALA A 122 -12.311 8.425 -8.120 1.00 1.00 H new ATOM 0 HB2 ALA A 122 -12.315 6.645 -8.121 1.00 1.00 H new ATOM 0 HB3 ALA A 122 -10.860 7.532 -7.606 1.00 1.00 H new ATOM 1912 N GLN A 123 -9.129 8.814 -9.588 1.00 1.00 N ATOM 1913 CA GLN A 123 -8.284 9.992 -9.783 1.00 1.00 C ATOM 1914 C GLN A 123 -8.056 10.251 -11.269 1.00 1.00 C ATOM 1915 O GLN A 123 -8.058 11.399 -11.714 1.00 1.00 O ATOM 1916 CB GLN A 123 -6.934 9.801 -9.083 1.00 1.00 C ATOM 1917 CG GLN A 123 -7.138 9.727 -7.566 1.00 1.00 C ATOM 1918 CD GLN A 123 -7.646 11.061 -7.030 1.00 1.00 C ATOM 1919 OE1 GLN A 123 -7.165 12.119 -7.434 1.00 1.00 O ATOM 1920 NE2 GLN A 123 -8.595 11.070 -6.134 1.00 1.00 N ATOM 0 H GLN A 123 -8.667 8.026 -9.135 1.00 1.00 H new ATOM 0 HA GLN A 123 -8.796 10.851 -9.349 1.00 1.00 H new ATOM 0 HB2 GLN A 123 -6.456 8.889 -9.439 1.00 1.00 H new ATOM 0 HB3 GLN A 123 -6.267 10.627 -9.329 1.00 1.00 H new ATOM 0 HG2 GLN A 123 -7.850 8.937 -7.327 1.00 1.00 H new ATOM 0 HG3 GLN A 123 -6.198 9.467 -7.079 1.00 1.00 H new ATOM 0 HE21 GLN A 123 -8.991 10.191 -5.802 1.00 1.00 H new ATOM 0 HE22 GLN A 123 -8.941 11.956 -5.766 1.00 1.00 H new ATOM 1929 N SER A 124 -7.862 9.179 -12.031 1.00 1.00 N ATOM 1930 CA SER A 124 -7.637 9.303 -13.468 1.00 1.00 C ATOM 1931 C SER A 124 -6.652 10.429 -13.769 1.00 1.00 C ATOM 1932 O SER A 124 -6.618 10.870 -14.906 1.00 1.00 O ATOM 1933 CB SER A 124 -8.964 9.580 -14.173 1.00 1.00 C ATOM 1934 OG SER A 124 -9.327 10.940 -13.973 1.00 1.00 O ATOM 1935 OXT SER A 124 -5.947 10.832 -12.859 1.00 1.00 O ATOM 0 H SER A 124 -7.856 8.221 -11.681 1.00 1.00 H new ATOM 0 HA SER A 124 -7.214 8.367 -13.833 1.00 1.00 H new ATOM 0 HB2 SER A 124 -8.874 9.369 -15.238 1.00 1.00 H new ATOM 0 HB3 SER A 124 -9.741 8.923 -13.782 1.00 1.00 H new ATOM 0 HG SER A 124 -8.895 11.278 -13.161 1.00 1.00 H new TER 1941 SER A 124