USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 960 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 45 THR OG1 : rot 180:sc= -1.3 USER MOD Set 1.2: A 48 GLN : amide:sc= -0.1 X(o=-1.4,f=-1.3) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN : amide:sc= -2.01! C(o=-2!,f=-7.5!) USER MOD Single : A 15 ASN : amide:sc= -2.05 K(o=-2,f=-3.2!) USER MOD Single : A 16 ASN : amide:sc= -2.67 X(o=-2.7,f=-2.5!) USER MOD Single : A 21 THR OG1 : rot 161:sc= 0.0302 USER MOD Single : A 31 ASN :FLIP amide:sc= -2.71! F(o=-3.2,f=-2.7!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 164:sc= -0.717 (180deg=-1.11) USER MOD Single : A 42 MET CE :methyl -117:sc= -1.35 (180deg=-3.01!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : A 63 GLN : amide:sc= -0.822 X(o=-0.82,f=-0.57) USER MOD Single : A 64 HIS : no HE2:sc= -17.7! C(o=-18!,f=-17!) USER MOD Single : A 66 SER OG : rot 180:sc= -0.0021 USER MOD Single : A 70 LYS NZ :NH3+ -159:sc=-0.00933 (180deg=-0.197) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -2.29 K(o=-2.3,f=-3!) USER MOD Single : A 81 THR OG1 : rot -154:sc= -1.89! USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -3.36 K(o=-3.4,f=-11!) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 23:sc= 0.52 USER MOD Single : A 111 ASN : amide:sc= -2.26 K(o=-2.3,f=-3.5!) USER MOD Single : A 119 ASN : amide:sc= -7.83! C(o=-7.8!,f=-13!) USER MOD Single : A 125 LYS NZ :NH3+ 170:sc= -0.255 (180deg=-0.46) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -6.649 -18.390 -0.807 1.00 0.00 N ATOM 43 CA LYS A 3 -5.507 -17.532 -0.507 1.00 0.00 C ATOM 44 C LYS A 3 -5.466 -16.336 -1.453 1.00 0.00 C ATOM 45 O LYS A 3 -5.629 -16.486 -2.664 1.00 0.00 O ATOM 46 CB LYS A 3 -4.202 -18.326 -0.598 1.00 0.00 C ATOM 47 CG LYS A 3 -3.873 -18.806 -2.003 1.00 0.00 C ATOM 48 CD LYS A 3 -4.773 -19.957 -2.428 1.00 0.00 C ATOM 49 CE LYS A 3 -5.626 -19.585 -3.632 1.00 0.00 C ATOM 50 NZ LYS A 3 -6.953 -20.259 -3.604 1.00 0.00 N ATOM 0 HA LYS A 3 -5.619 -17.161 0.512 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.383 -17.704 -0.235 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.265 -19.189 0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.983 -17.980 -2.705 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.831 -19.124 -2.045 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.163 -20.827 -2.669 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.419 -20.241 -1.597 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.768 -18.505 -3.656 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.100 -19.857 -4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.502 -19.979 -4.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.819 -21.290 -3.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.466 -19.980 -2.744 1.00 0.00 H new ATOM 64 N LEU A 4 -5.245 -15.147 -0.899 1.00 0.00 N ATOM 65 CA LEU A 4 -5.179 -13.928 -1.697 1.00 0.00 C ATOM 66 C LEU A 4 -4.195 -12.931 -1.086 1.00 0.00 C ATOM 67 O LEU A 4 -4.336 -12.554 0.077 1.00 0.00 O ATOM 68 CB LEU A 4 -6.569 -13.298 -1.800 1.00 0.00 C ATOM 69 CG LEU A 4 -7.177 -12.850 -0.469 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.814 -11.403 -0.177 1.00 0.00 C ATOM 71 CD2 LEU A 4 -8.688 -13.029 -0.486 1.00 0.00 C ATOM 0 H LEU A 4 -5.108 -15.002 0.101 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.827 -14.187 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.512 -12.436 -2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.243 -14.016 -2.267 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.766 -13.474 0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.255 -11.102 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.730 -11.304 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.196 -10.764 -0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.103 -12.705 0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.116 -12.430 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.928 -14.080 -0.649 1.00 0.00 H new ATOM 83 N GLN A 5 -3.188 -12.515 -1.854 1.00 0.00 N ATOM 84 CA GLN A 5 -2.184 -11.578 -1.365 1.00 0.00 C ATOM 85 C GLN A 5 -2.428 -10.164 -1.872 1.00 0.00 C ATOM 86 O GLN A 5 -3.055 -9.957 -2.907 1.00 0.00 O ATOM 87 CB GLN A 5 -0.806 -12.014 -1.853 1.00 0.00 C ATOM 88 CG GLN A 5 -0.489 -13.462 -1.551 1.00 0.00 C ATOM 89 CD GLN A 5 0.974 -13.800 -1.759 1.00 0.00 C ATOM 90 OE1 GLN A 5 1.825 -13.455 -0.939 1.00 0.00 O ATOM 91 NE2 GLN A 5 1.273 -14.478 -2.860 1.00 0.00 N ATOM 0 H GLN A 5 -3.048 -12.815 -2.819 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.244 -11.579 -0.277 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.743 -11.853 -2.929 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.049 -11.381 -1.391 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.765 -13.682 -0.520 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.099 -14.103 -2.187 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.535 -14.743 -3.512 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.241 -14.734 -3.054 1.00 0.00 H new ATOM 100 N ILE A 6 -1.901 -9.193 -1.142 1.00 0.00 N ATOM 101 CA ILE A 6 -2.008 -7.790 -1.498 1.00 0.00 C ATOM 102 C ILE A 6 -0.727 -7.100 -1.034 1.00 0.00 C ATOM 103 O ILE A 6 -0.245 -7.385 0.061 1.00 0.00 O ATOM 104 CB ILE A 6 -3.235 -7.124 -0.839 1.00 0.00 C ATOM 105 CG1 ILE A 6 -4.525 -7.699 -1.425 1.00 0.00 C ATOM 106 CG2 ILE A 6 -3.191 -5.613 -1.029 1.00 0.00 C ATOM 107 CD1 ILE A 6 -5.152 -8.773 -0.564 1.00 0.00 C ATOM 0 H ILE A 6 -1.383 -9.360 -0.279 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.138 -7.698 -2.576 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.212 -7.335 0.230 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.243 -6.891 -1.565 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.314 -8.112 -2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.064 -5.161 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.285 -5.215 -0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.192 -5.380 -2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.063 -9.136 -1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.451 -9.599 -0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.394 -8.359 0.415 1.00 0.00 H new ATOM 119 N ALA A 7 -0.175 -6.186 -1.822 1.00 0.00 N ATOM 120 CA ALA A 7 1.032 -5.485 -1.397 1.00 0.00 C ATOM 121 C ALA A 7 0.809 -3.993 -1.504 1.00 0.00 C ATOM 122 O ALA A 7 0.480 -3.521 -2.575 1.00 0.00 O ATOM 123 CB ALA A 7 2.218 -5.914 -2.250 1.00 0.00 C ATOM 0 H ALA A 7 -0.533 -5.916 -2.738 1.00 0.00 H new ATOM 0 HA ALA A 7 1.252 -5.737 -0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.112 -5.384 -1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.373 -6.988 -2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.019 -5.678 -3.295 1.00 0.00 H new ATOM 129 N VAL A 8 0.983 -3.241 -0.422 1.00 0.00 N ATOM 130 CA VAL A 8 0.762 -1.799 -0.491 1.00 0.00 C ATOM 131 C VAL A 8 1.897 -1.013 0.145 1.00 0.00 C ATOM 132 O VAL A 8 2.609 -1.510 1.012 1.00 0.00 O ATOM 133 CB VAL A 8 -0.575 -1.387 0.180 1.00 0.00 C ATOM 134 CG1 VAL A 8 -1.429 -2.606 0.505 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.326 -0.558 1.434 1.00 0.00 C ATOM 0 H VAL A 8 1.269 -3.593 0.492 1.00 0.00 H new ATOM 0 HA VAL A 8 0.719 -1.557 -1.553 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.123 -0.771 -0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.359 -2.284 0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.655 -3.148 -0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.886 -3.260 1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.280 -0.283 1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.256 -1.142 2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.224 0.345 1.170 1.00 0.00 H new ATOM 145 N GLY A 9 2.058 0.219 -0.307 1.00 0.00 N ATOM 146 CA GLY A 9 3.106 1.058 0.222 1.00 0.00 C ATOM 147 C GLY A 9 2.720 2.520 0.322 1.00 0.00 C ATOM 148 O GLY A 9 2.159 3.093 -0.613 1.00 0.00 O ATOM 0 H GLY A 9 1.482 0.651 -1.029 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.385 0.696 1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.988 0.966 -0.412 1.00 0.00 H new ATOM 152 N ILE A 10 3.061 3.126 1.452 1.00 0.00 N ATOM 153 CA ILE A 10 2.801 4.523 1.690 1.00 0.00 C ATOM 154 C ILE A 10 3.875 5.342 0.975 1.00 0.00 C ATOM 155 O ILE A 10 5.061 5.122 1.203 1.00 0.00 O ATOM 156 CB ILE A 10 2.810 4.798 3.210 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.234 5.026 3.736 1.00 0.00 C ATOM 158 CG2 ILE A 10 2.152 3.649 3.962 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.299 5.254 5.231 1.00 0.00 C ATOM 0 H ILE A 10 3.527 2.653 2.226 1.00 0.00 H new ATOM 0 HA ILE A 10 1.822 4.805 1.303 1.00 0.00 H new ATOM 0 HB ILE A 10 2.240 5.711 3.382 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.849 4.163 3.482 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.667 5.887 3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.167 3.858 5.032 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.120 3.539 3.628 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.697 2.726 3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.336 5.408 5.531 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.712 6.135 5.491 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.896 4.384 5.750 1.00 0.00 H new ATOM 171 N ILE A 11 3.479 6.246 0.081 1.00 0.00 N ATOM 172 CA ILE A 11 4.470 7.018 -0.669 1.00 0.00 C ATOM 173 C ILE A 11 5.008 8.219 0.102 1.00 0.00 C ATOM 174 O ILE A 11 4.311 9.204 0.327 1.00 0.00 O ATOM 175 CB ILE A 11 3.926 7.512 -2.021 1.00 0.00 C ATOM 176 CG1 ILE A 11 2.896 6.526 -2.587 1.00 0.00 C ATOM 177 CG2 ILE A 11 5.082 7.707 -2.994 1.00 0.00 C ATOM 178 CD1 ILE A 11 2.774 6.575 -4.094 1.00 0.00 C ATOM 0 H ILE A 11 2.506 6.459 -0.139 1.00 0.00 H new ATOM 0 HA ILE A 11 5.288 6.317 -0.837 1.00 0.00 H new ATOM 0 HB ILE A 11 3.422 8.467 -1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.170 5.515 -2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.922 6.737 -2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.696 8.057 -3.952 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.776 8.444 -2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.601 6.759 -3.136 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.028 5.851 -4.422 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.470 7.575 -4.402 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.737 6.334 -4.545 1.00 0.00 H new ATOM 190 N ARG A 12 6.266 8.106 0.484 1.00 0.00 N ATOM 191 CA ARG A 12 6.939 9.164 1.231 1.00 0.00 C ATOM 192 C ARG A 12 7.424 10.245 0.284 1.00 0.00 C ATOM 193 O ARG A 12 7.791 9.960 -0.856 1.00 0.00 O ATOM 194 CB ARG A 12 8.109 8.613 2.036 1.00 0.00 C ATOM 195 CG ARG A 12 7.830 8.537 3.525 1.00 0.00 C ATOM 196 CD ARG A 12 8.685 9.520 4.306 1.00 0.00 C ATOM 197 NE ARG A 12 10.093 9.132 4.319 1.00 0.00 N ATOM 198 CZ ARG A 12 10.986 9.609 5.185 1.00 0.00 C ATOM 199 NH1 ARG A 12 10.620 10.490 6.107 1.00 0.00 N ATOM 200 NH2 ARG A 12 12.246 9.202 5.128 1.00 0.00 N ATOM 0 H ARG A 12 6.848 7.291 0.291 1.00 0.00 H new ATOM 0 HA ARG A 12 6.220 9.593 1.929 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.357 7.617 1.669 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.984 9.241 1.869 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.776 8.745 3.709 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.022 7.525 3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.587 10.513 3.868 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.318 9.586 5.330 1.00 0.00 H new ATOM 0 HE ARG A 12 10.411 8.456 3.624 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.651 10.805 6.155 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.308 10.852 6.768 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.531 8.524 4.421 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.930 9.567 5.791 1.00 0.00 H new ATOM 214 N ASN A 13 7.427 11.488 0.759 1.00 0.00 N ATOM 215 CA ASN A 13 7.867 12.603 -0.074 1.00 0.00 C ATOM 216 C ASN A 13 8.945 13.459 0.581 1.00 0.00 C ATOM 217 O ASN A 13 9.481 13.147 1.644 1.00 0.00 O ATOM 218 CB ASN A 13 6.671 13.476 -0.483 1.00 0.00 C ATOM 219 CG ASN A 13 6.577 14.804 0.250 1.00 0.00 C ATOM 220 OD1 ASN A 13 7.099 15.820 -0.206 1.00 0.00 O ATOM 221 ND2 ASN A 13 5.895 14.802 1.387 1.00 0.00 N ATOM 0 H ASN A 13 7.135 11.746 1.701 1.00 0.00 H new ATOM 0 HA ASN A 13 8.318 12.160 -0.962 1.00 0.00 H new ATOM 0 HB2 ASN A 13 6.729 13.670 -1.554 1.00 0.00 H new ATOM 0 HB3 ASN A 13 5.753 12.915 -0.310 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.788 15.666 1.919 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.478 13.937 1.730 1.00 0.00 H new ATOM 228 N GLU A 14 9.244 14.536 -0.121 1.00 0.00 N ATOM 229 CA GLU A 14 10.255 15.506 0.277 1.00 0.00 C ATOM 230 C GLU A 14 10.029 16.019 1.688 1.00 0.00 C ATOM 231 O GLU A 14 10.926 15.996 2.531 1.00 0.00 O ATOM 232 CB GLU A 14 10.254 16.678 -0.706 1.00 0.00 C ATOM 233 CG GLU A 14 11.221 17.792 -0.337 1.00 0.00 C ATOM 234 CD GLU A 14 12.641 17.294 -0.151 1.00 0.00 C ATOM 235 OE1 GLU A 14 12.866 16.467 0.758 1.00 0.00 O ATOM 236 OE2 GLU A 14 13.528 17.731 -0.913 1.00 0.00 O ATOM 0 H GLU A 14 8.784 14.768 -1.001 1.00 0.00 H new ATOM 0 HA GLU A 14 11.222 15.004 0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.505 16.306 -1.699 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.246 17.089 -0.765 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.206 18.554 -1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.884 18.270 0.583 1.00 0.00 H new ATOM 243 N ASN A 15 8.834 16.511 1.914 1.00 0.00 N ATOM 244 CA ASN A 15 8.461 17.082 3.209 1.00 0.00 C ATOM 245 C ASN A 15 8.314 16.024 4.308 1.00 0.00 C ATOM 246 O ASN A 15 8.036 16.364 5.457 1.00 0.00 O ATOM 247 CB ASN A 15 7.166 17.886 3.075 1.00 0.00 C ATOM 248 CG ASN A 15 6.865 18.706 4.316 1.00 0.00 C ATOM 249 OD1 ASN A 15 7.691 18.807 5.223 1.00 0.00 O ATOM 250 ND2 ASN A 15 5.678 19.299 4.359 1.00 0.00 N ATOM 0 H ASN A 15 8.089 16.532 1.217 1.00 0.00 H new ATOM 0 HA ASN A 15 9.276 17.740 3.512 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.241 18.549 2.213 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.337 17.205 2.882 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.420 19.866 5.167 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.024 19.188 3.584 1.00 0.00 H new ATOM 257 N ASN A 16 8.499 14.748 3.961 1.00 0.00 N ATOM 258 CA ASN A 16 8.385 13.654 4.935 1.00 0.00 C ATOM 259 C ASN A 16 6.924 13.260 5.156 1.00 0.00 C ATOM 260 O ASN A 16 6.606 12.494 6.069 1.00 0.00 O ATOM 261 CB ASN A 16 9.074 14.028 6.262 1.00 0.00 C ATOM 262 CG ASN A 16 8.104 14.299 7.404 1.00 0.00 C ATOM 263 OD1 ASN A 16 7.102 14.993 7.235 1.00 0.00 O ATOM 264 ND2 ASN A 16 8.404 13.749 8.575 1.00 0.00 N ATOM 0 H ASN A 16 8.728 14.445 3.014 1.00 0.00 H new ATOM 0 HA ASN A 16 8.899 12.784 4.526 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.745 13.220 6.552 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.690 14.913 6.104 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.793 13.895 9.379 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.245 13.180 8.671 1.00 0.00 H new ATOM 271 N GLU A 17 6.043 13.752 4.293 1.00 0.00 N ATOM 272 CA GLU A 17 4.631 13.413 4.373 1.00 0.00 C ATOM 273 C GLU A 17 4.314 12.429 3.258 1.00 0.00 C ATOM 274 O GLU A 17 4.928 12.477 2.192 1.00 0.00 O ATOM 275 CB GLU A 17 3.734 14.655 4.276 1.00 0.00 C ATOM 276 CG GLU A 17 4.481 15.979 4.318 1.00 0.00 C ATOM 277 CD GLU A 17 3.654 17.131 3.784 1.00 0.00 C ATOM 278 OE1 GLU A 17 3.533 17.251 2.546 1.00 0.00 O ATOM 279 OE2 GLU A 17 3.128 17.914 4.602 1.00 0.00 O ATOM 0 H GLU A 17 6.283 14.386 3.531 1.00 0.00 H new ATOM 0 HA GLU A 17 4.428 12.962 5.344 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.164 14.604 3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.014 14.632 5.094 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.776 16.193 5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.398 15.894 3.735 1.00 0.00 H new ATOM 286 N ILE A 18 3.428 11.485 3.527 1.00 0.00 N ATOM 287 CA ILE A 18 3.136 10.444 2.553 1.00 0.00 C ATOM 288 C ILE A 18 1.811 10.636 1.825 1.00 0.00 C ATOM 289 O ILE A 18 0.739 10.635 2.427 1.00 0.00 O ATOM 290 CB ILE A 18 3.141 9.064 3.241 1.00 0.00 C ATOM 291 CG1 ILE A 18 2.785 7.955 2.245 1.00 0.00 C ATOM 292 CG2 ILE A 18 2.192 9.056 4.431 1.00 0.00 C ATOM 293 CD1 ILE A 18 1.306 7.698 2.091 1.00 0.00 C ATOM 0 H ILE A 18 2.904 11.416 4.399 1.00 0.00 H new ATOM 0 HA ILE A 18 3.922 10.507 1.800 1.00 0.00 H new ATOM 0 HB ILE A 18 4.148 8.869 3.609 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.199 8.214 1.270 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.270 7.031 2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.209 8.074 4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.506 9.811 5.152 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.180 9.277 4.091 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.149 6.898 1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.886 7.405 3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.813 8.605 1.741 1.00 0.00 H new ATOM 305 N PHE A 19 1.920 10.810 0.508 1.00 0.00 N ATOM 306 CA PHE A 19 0.765 11.012 -0.357 1.00 0.00 C ATOM 307 C PHE A 19 -0.150 9.782 -0.386 1.00 0.00 C ATOM 308 O PHE A 19 0.119 8.801 -1.079 1.00 0.00 O ATOM 309 CB PHE A 19 1.239 11.390 -1.778 1.00 0.00 C ATOM 310 CG PHE A 19 0.666 10.554 -2.895 1.00 0.00 C ATOM 311 CD1 PHE A 19 -0.700 10.524 -3.132 1.00 0.00 C ATOM 312 CD2 PHE A 19 1.498 9.799 -3.705 1.00 0.00 C ATOM 313 CE1 PHE A 19 -1.223 9.757 -4.154 1.00 0.00 C ATOM 314 CE2 PHE A 19 0.980 9.029 -4.730 1.00 0.00 C ATOM 315 CZ PHE A 19 -0.382 9.008 -4.954 1.00 0.00 C ATOM 0 H PHE A 19 2.812 10.814 0.014 1.00 0.00 H new ATOM 0 HA PHE A 19 0.173 11.832 0.049 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.985 12.434 -1.962 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.326 11.315 -1.812 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.363 11.107 -2.510 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.564 9.812 -3.534 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.289 9.743 -4.328 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.640 8.445 -5.354 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.789 8.407 -5.753 1.00 0.00 H new ATOM 325 N ILE A 20 -1.243 9.862 0.361 1.00 0.00 N ATOM 326 CA ILE A 20 -2.221 8.782 0.411 1.00 0.00 C ATOM 327 C ILE A 20 -3.523 9.238 -0.238 1.00 0.00 C ATOM 328 O ILE A 20 -3.744 10.436 -0.419 1.00 0.00 O ATOM 329 CB ILE A 20 -2.522 8.304 1.851 1.00 0.00 C ATOM 330 CG1 ILE A 20 -1.741 9.123 2.881 1.00 0.00 C ATOM 331 CG2 ILE A 20 -2.203 6.823 1.991 1.00 0.00 C ATOM 332 CD1 ILE A 20 -1.990 8.692 4.310 1.00 0.00 C ATOM 0 H ILE A 20 -1.476 10.667 0.943 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.787 7.942 -0.130 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.584 8.454 2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.676 9.042 2.666 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.008 10.174 2.775 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.419 6.499 3.009 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.813 6.252 1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.148 6.656 1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.404 9.316 4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.049 8.800 4.543 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.696 7.650 4.432 1.00 0.00 H new ATOM 344 N THR A 21 -4.382 8.292 -0.590 1.00 0.00 N ATOM 345 CA THR A 21 -5.654 8.628 -1.218 1.00 0.00 C ATOM 346 C THR A 21 -6.582 9.299 -0.211 1.00 0.00 C ATOM 347 O THR A 21 -6.752 8.817 0.907 1.00 0.00 O ATOM 348 CB THR A 21 -6.316 7.372 -1.786 1.00 0.00 C ATOM 349 OG1 THR A 21 -6.885 6.592 -0.748 1.00 0.00 O ATOM 350 CG2 THR A 21 -5.361 6.485 -2.555 1.00 0.00 C ATOM 0 H THR A 21 -4.225 7.294 -0.453 1.00 0.00 H new ATOM 0 HA THR A 21 -5.462 9.323 -2.035 1.00 0.00 H new ATOM 0 HB THR A 21 -7.080 7.735 -2.473 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.553 5.983 -1.125 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.896 5.613 -2.930 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.942 7.042 -3.393 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.555 6.161 -1.896 1.00 0.00 H new ATOM 358 N ARG A 22 -7.172 10.421 -0.610 1.00 0.00 N ATOM 359 CA ARG A 22 -8.074 11.162 0.265 1.00 0.00 C ATOM 360 C ARG A 22 -9.483 11.210 -0.316 1.00 0.00 C ATOM 361 O ARG A 22 -9.832 12.135 -1.050 1.00 0.00 O ATOM 362 CB ARG A 22 -7.551 12.583 0.484 1.00 0.00 C ATOM 363 CG ARG A 22 -8.027 13.212 1.785 1.00 0.00 C ATOM 364 CD ARG A 22 -7.067 12.922 2.928 1.00 0.00 C ATOM 365 NE ARG A 22 -6.184 14.053 3.201 1.00 0.00 N ATOM 366 CZ ARG A 22 -5.516 14.213 4.341 1.00 0.00 C ATOM 367 NH1 ARG A 22 -5.627 13.319 5.316 1.00 0.00 N ATOM 368 NH2 ARG A 22 -4.732 15.270 4.507 1.00 0.00 N ATOM 0 H ARG A 22 -7.042 10.837 -1.532 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.115 10.644 1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.461 12.566 0.476 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.866 13.210 -0.350 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.125 14.290 1.655 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.017 12.830 2.034 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.635 12.681 3.826 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.468 12.045 2.684 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.073 14.762 2.476 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.227 12.503 5.194 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.112 13.448 6.187 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.641 15.960 3.761 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.220 15.393 5.381 1.00 0.00 H new ATOM 493 N ASN A 31 -13.841 6.176 3.002 1.00 0.00 N ATOM 494 CA ASN A 31 -13.137 5.282 3.916 1.00 0.00 C ATOM 495 C ASN A 31 -12.107 4.436 3.171 1.00 0.00 C ATOM 496 O ASN A 31 -11.799 3.317 3.580 1.00 0.00 O ATOM 497 CB ASN A 31 -14.136 4.374 4.637 1.00 0.00 C ATOM 498 CG ASN A 31 -13.863 4.276 6.125 1.00 0.00 C ATOM 499 OD1 ASN A 31 -12.871 3.474 6.493 1.00 0.00 O flip ATOM 500 ND2 ASN A 31 -14.535 4.915 6.935 1.00 0.00 N flip ATOM 0 HA ASN A 31 -12.611 5.893 4.650 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.146 4.754 4.480 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.099 3.377 4.198 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.288 5.520 6.608 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.338 4.840 7.933 1.00 0.00 H new ATOM 507 N LYS A 32 -11.583 4.973 2.072 1.00 0.00 N ATOM 508 CA LYS A 32 -10.595 4.260 1.269 1.00 0.00 C ATOM 509 C LYS A 32 -9.240 4.955 1.299 1.00 0.00 C ATOM 510 O LYS A 32 -8.447 4.831 0.367 1.00 0.00 O ATOM 511 CB LYS A 32 -11.081 4.098 -0.171 1.00 0.00 C ATOM 512 CG LYS A 32 -11.292 2.646 -0.573 1.00 0.00 C ATOM 513 CD LYS A 32 -10.663 2.340 -1.924 1.00 0.00 C ATOM 514 CE LYS A 32 -10.694 0.850 -2.231 1.00 0.00 C ATOM 515 NZ LYS A 32 -9.327 0.297 -2.433 1.00 0.00 N ATOM 0 H LYS A 32 -11.826 5.898 1.718 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.471 3.270 1.708 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.017 4.642 -0.295 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.356 4.553 -0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.862 1.992 0.185 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.360 2.430 -0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.194 2.884 -2.705 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.632 2.693 -1.934 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.183 0.321 -1.413 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.292 0.676 -3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.391 -0.720 -2.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.870 0.784 -3.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.764 0.440 -1.571 1.00 0.00 H new ATOM 529 N LEU A 33 -8.988 5.682 2.376 1.00 0.00 N ATOM 530 CA LEU A 33 -7.729 6.404 2.551 1.00 0.00 C ATOM 531 C LEU A 33 -6.553 5.429 2.657 1.00 0.00 C ATOM 532 O LEU A 33 -5.896 5.349 3.693 1.00 0.00 O ATOM 533 CB LEU A 33 -7.798 7.273 3.812 1.00 0.00 C ATOM 534 CG LEU A 33 -6.888 8.503 3.816 1.00 0.00 C ATOM 535 CD1 LEU A 33 -6.902 9.176 5.180 1.00 0.00 C ATOM 536 CD2 LEU A 33 -5.471 8.117 3.429 1.00 0.00 C ATOM 0 H LEU A 33 -9.643 5.791 3.151 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.573 7.040 1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.828 7.604 3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.546 6.654 4.673 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.267 9.212 3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.249 10.048 5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.918 9.488 5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.549 8.474 5.936 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.837 9.004 3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.085 7.389 4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.473 7.681 2.430 1.00 0.00 H new ATOM 548 N GLU A 34 -6.299 4.685 1.584 1.00 0.00 N ATOM 549 CA GLU A 34 -5.216 3.707 1.567 1.00 0.00 C ATOM 550 C GLU A 34 -4.081 4.135 0.644 1.00 0.00 C ATOM 551 O GLU A 34 -4.061 5.258 0.140 1.00 0.00 O ATOM 552 CB GLU A 34 -5.749 2.338 1.136 1.00 0.00 C ATOM 553 CG GLU A 34 -5.107 1.176 1.876 1.00 0.00 C ATOM 554 CD GLU A 34 -4.737 0.031 0.953 1.00 0.00 C ATOM 555 OE1 GLU A 34 -4.431 0.296 -0.228 1.00 0.00 O ATOM 556 OE2 GLU A 34 -4.752 -1.131 1.413 1.00 0.00 O ATOM 0 H GLU A 34 -6.829 4.741 0.714 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.816 3.641 2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.827 2.310 1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.583 2.213 0.066 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.212 1.527 2.390 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.793 0.814 2.642 1.00 0.00 H new ATOM 563 N PHE A 35 -3.129 3.228 0.440 1.00 0.00 N ATOM 564 CA PHE A 35 -1.973 3.500 -0.407 1.00 0.00 C ATOM 565 C PHE A 35 -1.897 2.527 -1.590 1.00 0.00 C ATOM 566 O PHE A 35 -2.513 1.461 -1.574 1.00 0.00 O ATOM 567 CB PHE A 35 -0.676 3.414 0.416 1.00 0.00 C ATOM 568 CG PHE A 35 -0.887 3.420 1.907 1.00 0.00 C ATOM 569 CD1 PHE A 35 -1.461 2.333 2.546 1.00 0.00 C ATOM 570 CD2 PHE A 35 -0.506 4.512 2.669 1.00 0.00 C ATOM 571 CE1 PHE A 35 -1.654 2.335 3.914 1.00 0.00 C ATOM 572 CE2 PHE A 35 -0.696 4.521 4.039 1.00 0.00 C ATOM 573 CZ PHE A 35 -1.272 3.431 4.662 1.00 0.00 C ATOM 0 H PHE A 35 -3.137 2.295 0.852 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.088 4.509 -0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.144 2.504 0.140 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.033 4.253 0.148 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.762 1.472 1.967 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.055 5.367 2.187 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.103 1.480 4.398 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.394 5.379 4.621 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.423 3.436 5.731 1.00 0.00 H new ATOM 583 N PRO A 36 -1.107 2.883 -2.620 1.00 0.00 N ATOM 584 CA PRO A 36 -0.895 2.055 -3.819 1.00 0.00 C ATOM 585 C PRO A 36 -0.543 0.612 -3.466 1.00 0.00 C ATOM 586 O PRO A 36 -0.245 0.310 -2.311 1.00 0.00 O ATOM 587 CB PRO A 36 0.287 2.735 -4.531 1.00 0.00 C ATOM 588 CG PRO A 36 0.838 3.712 -3.550 1.00 0.00 C ATOM 589 CD PRO A 36 -0.319 4.120 -2.691 1.00 0.00 C ATOM 0 HA PRO A 36 -1.794 1.993 -4.432 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.042 2.005 -4.823 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.040 3.236 -5.442 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.630 3.262 -2.952 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.272 4.574 -4.057 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.004 4.453 -1.705 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -0.886 4.939 -3.134 1.00 0.00 H new ATOM 597 N GLY A 37 -0.569 -0.281 -4.461 1.00 0.00 N ATOM 598 CA GLY A 37 -0.237 -1.670 -4.191 1.00 0.00 C ATOM 599 C GLY A 37 -1.435 -2.597 -4.092 1.00 0.00 C ATOM 600 O GLY A 37 -1.677 -3.232 -3.066 1.00 0.00 O ATOM 0 H GLY A 37 -0.809 -0.070 -5.430 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.422 -2.032 -4.980 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.324 -1.721 -3.258 1.00 0.00 H new ATOM 604 N GLY A 38 -2.169 -2.668 -5.173 1.00 0.00 N ATOM 605 CA GLY A 38 -3.340 -3.520 -5.250 1.00 0.00 C ATOM 606 C GLY A 38 -3.334 -4.385 -6.503 1.00 0.00 C ATOM 607 O GLY A 38 -3.399 -3.853 -7.611 1.00 0.00 O ATOM 0 H GLY A 38 -1.977 -2.141 -6.025 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.382 -4.159 -4.368 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.239 -2.903 -5.239 1.00 0.00 H new ATOM 611 N LYS A 39 -3.258 -5.719 -6.327 1.00 0.00 N ATOM 612 CA LYS A 39 -3.248 -6.675 -7.444 1.00 0.00 C ATOM 613 C LYS A 39 -1.869 -7.302 -7.644 1.00 0.00 C ATOM 614 O LYS A 39 -1.564 -7.812 -8.723 1.00 0.00 O ATOM 615 CB LYS A 39 -3.709 -6.035 -8.756 1.00 0.00 C ATOM 616 CG LYS A 39 -3.877 -7.042 -9.877 1.00 0.00 C ATOM 617 CD LYS A 39 -5.129 -6.768 -10.696 1.00 0.00 C ATOM 618 CE LYS A 39 -6.348 -7.449 -10.093 1.00 0.00 C ATOM 619 NZ LYS A 39 -6.704 -6.876 -8.765 1.00 0.00 N ATOM 0 H LYS A 39 -3.202 -6.159 -5.409 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.956 -7.458 -7.172 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.656 -5.522 -8.591 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.985 -5.279 -9.059 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.003 -7.012 -10.527 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.929 -8.047 -9.459 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.301 -5.693 -10.751 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.982 -7.120 -11.717 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.195 -7.346 -10.772 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.153 -8.516 -9.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.671 -7.162 -8.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.039 -7.227 -8.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.651 -5.838 -8.809 1.00 0.00 H new ATOM 633 N ILE A 40 -1.041 -7.280 -6.607 1.00 0.00 N ATOM 634 CA ILE A 40 0.293 -7.872 -6.695 1.00 0.00 C ATOM 635 C ILE A 40 0.194 -9.387 -6.684 1.00 0.00 C ATOM 636 O ILE A 40 0.987 -10.093 -7.306 1.00 0.00 O ATOM 637 CB ILE A 40 1.232 -7.388 -5.561 1.00 0.00 C ATOM 638 CG1 ILE A 40 1.240 -8.353 -4.359 1.00 0.00 C ATOM 639 CG2 ILE A 40 0.833 -5.990 -5.123 1.00 0.00 C ATOM 640 CD1 ILE A 40 2.618 -8.568 -3.770 1.00 0.00 C ATOM 0 H ILE A 40 -1.264 -6.864 -5.703 1.00 0.00 H new ATOM 0 HA ILE A 40 0.731 -7.541 -7.637 1.00 0.00 H new ATOM 0 HB ILE A 40 2.247 -7.367 -5.957 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.579 -7.963 -3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.832 -9.314 -4.672 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.497 -5.655 -4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.910 -5.308 -5.970 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.194 -6.002 -4.759 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.550 -9.257 -2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.277 -8.987 -4.530 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.020 -7.615 -3.427 1.00 0.00 H new ATOM 652 N GLU A 41 -0.801 -9.861 -5.954 1.00 0.00 N ATOM 653 CA GLU A 41 -1.068 -11.285 -5.802 1.00 0.00 C ATOM 654 C GLU A 41 -0.919 -12.037 -7.124 1.00 0.00 C ATOM 655 O GLU A 41 0.137 -12.601 -7.404 1.00 0.00 O ATOM 656 CB GLU A 41 -2.473 -11.485 -5.228 1.00 0.00 C ATOM 657 CG GLU A 41 -3.494 -10.454 -5.714 1.00 0.00 C ATOM 658 CD GLU A 41 -4.738 -11.092 -6.302 1.00 0.00 C ATOM 659 OE1 GLU A 41 -5.013 -12.266 -5.976 1.00 0.00 O ATOM 660 OE2 GLU A 41 -5.436 -10.418 -7.088 1.00 0.00 O ATOM 0 H GLU A 41 -1.453 -9.265 -5.445 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.330 -11.696 -5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.824 -12.482 -5.493 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.420 -11.444 -4.140 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.780 -9.811 -4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.029 -9.815 -6.465 1.00 0.00 H new ATOM 667 N MET A 42 -1.981 -12.040 -7.928 1.00 0.00 N ATOM 668 CA MET A 42 -1.982 -12.722 -9.222 1.00 0.00 C ATOM 669 C MET A 42 -1.282 -14.084 -9.153 1.00 0.00 C ATOM 670 O MET A 42 -1.926 -15.103 -8.900 1.00 0.00 O ATOM 671 CB MET A 42 -1.334 -11.831 -10.285 1.00 0.00 C ATOM 672 CG MET A 42 -2.337 -11.177 -11.222 1.00 0.00 C ATOM 673 SD MET A 42 -3.751 -10.463 -10.358 1.00 0.00 S ATOM 674 CE MET A 42 -4.966 -11.762 -10.562 1.00 0.00 C ATOM 0 H MET A 42 -2.860 -11.573 -7.703 1.00 0.00 H new ATOM 0 HA MET A 42 -3.019 -12.910 -9.499 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.751 -11.054 -9.790 1.00 0.00 H new ATOM 0 HB3 MET A 42 -0.636 -12.428 -10.872 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.836 -10.396 -11.793 1.00 0.00 H new ATOM 0 HG3 MET A 42 -2.693 -11.918 -11.938 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.806 -11.386 -11.146 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.512 -12.607 -11.081 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.321 -12.085 -9.583 1.00 0.00 H new ATOM 684 N GLY A 43 0.030 -14.102 -9.380 1.00 0.00 N ATOM 685 CA GLY A 43 0.766 -15.353 -9.338 1.00 0.00 C ATOM 686 C GLY A 43 2.267 -15.161 -9.355 1.00 0.00 C ATOM 687 O GLY A 43 3.010 -16.034 -9.804 1.00 0.00 O ATOM 0 H GLY A 43 0.593 -13.278 -9.591 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.486 -15.902 -8.439 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.475 -15.967 -10.190 1.00 0.00 H new ATOM 691 N GLU A 44 2.712 -14.017 -8.865 1.00 0.00 N ATOM 692 CA GLU A 44 4.137 -13.706 -8.821 1.00 0.00 C ATOM 693 C GLU A 44 4.733 -14.100 -7.471 1.00 0.00 C ATOM 694 O GLU A 44 4.120 -14.852 -6.712 1.00 0.00 O ATOM 695 CB GLU A 44 4.358 -12.215 -9.088 1.00 0.00 C ATOM 696 CG GLU A 44 5.116 -11.934 -10.376 1.00 0.00 C ATOM 697 CD GLU A 44 4.412 -10.924 -11.260 1.00 0.00 C ATOM 698 OE1 GLU A 44 3.524 -11.332 -12.037 1.00 0.00 O ATOM 699 OE2 GLU A 44 4.748 -9.725 -11.175 1.00 0.00 O ATOM 0 H GLU A 44 2.109 -13.285 -8.491 1.00 0.00 H new ATOM 0 HA GLU A 44 4.642 -14.281 -9.597 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.391 -11.714 -9.129 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.906 -11.782 -8.251 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.113 -11.566 -10.133 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.246 -12.865 -10.927 1.00 0.00 H new ATOM 706 N THR A 45 5.922 -13.585 -7.168 1.00 0.00 N ATOM 707 CA THR A 45 6.576 -13.882 -5.904 1.00 0.00 C ATOM 708 C THR A 45 6.290 -12.765 -4.908 1.00 0.00 C ATOM 709 O THR A 45 6.002 -11.638 -5.309 1.00 0.00 O ATOM 710 CB THR A 45 8.088 -14.038 -6.111 1.00 0.00 C ATOM 711 OG1 THR A 45 8.407 -14.037 -7.492 1.00 0.00 O ATOM 712 CG2 THR A 45 8.650 -15.310 -5.517 1.00 0.00 C ATOM 0 H THR A 45 6.448 -12.962 -7.781 1.00 0.00 H new ATOM 0 HA THR A 45 6.185 -14.820 -5.510 1.00 0.00 H new ATOM 0 HB THR A 45 8.536 -13.188 -5.597 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.376 -14.136 -7.604 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.723 -15.354 -5.701 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.465 -15.323 -4.443 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.167 -16.171 -5.979 1.00 0.00 H new ATOM 720 N PRO A 46 6.367 -13.047 -3.596 1.00 0.00 N ATOM 721 CA PRO A 46 6.114 -12.047 -2.562 1.00 0.00 C ATOM 722 C PRO A 46 6.776 -10.710 -2.886 1.00 0.00 C ATOM 723 O PRO A 46 6.308 -9.655 -2.459 1.00 0.00 O ATOM 724 CB PRO A 46 6.730 -12.667 -1.294 1.00 0.00 C ATOM 725 CG PRO A 46 7.383 -13.941 -1.732 1.00 0.00 C ATOM 726 CD PRO A 46 6.703 -14.344 -3.007 1.00 0.00 C ATOM 0 HA PRO A 46 5.052 -11.824 -2.460 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.457 -11.991 -0.843 1.00 0.00 H new ATOM 0 HB3 PRO A 46 5.964 -12.859 -0.542 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.452 -13.796 -1.890 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.275 -14.715 -0.972 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.359 -14.928 -3.653 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.816 -14.950 -2.822 1.00 0.00 H new ATOM 734 N GLU A 47 7.863 -10.764 -3.648 1.00 0.00 N ATOM 735 CA GLU A 47 8.585 -9.561 -4.035 1.00 0.00 C ATOM 736 C GLU A 47 8.309 -9.186 -5.493 1.00 0.00 C ATOM 737 O GLU A 47 8.055 -8.024 -5.799 1.00 0.00 O ATOM 738 CB GLU A 47 10.089 -9.758 -3.823 1.00 0.00 C ATOM 739 CG GLU A 47 10.658 -8.921 -2.688 1.00 0.00 C ATOM 740 CD GLU A 47 11.883 -9.552 -2.056 1.00 0.00 C ATOM 741 OE1 GLU A 47 12.812 -9.923 -2.804 1.00 0.00 O ATOM 742 OE2 GLU A 47 11.914 -9.674 -0.814 1.00 0.00 O ATOM 0 H GLU A 47 8.263 -11.630 -4.010 1.00 0.00 H new ATOM 0 HA GLU A 47 8.234 -8.744 -3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.284 -10.811 -3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.613 -9.509 -4.746 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.917 -7.932 -3.065 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.892 -8.781 -1.926 1.00 0.00 H new ATOM 749 N GLN A 48 8.374 -10.173 -6.388 1.00 0.00 N ATOM 750 CA GLN A 48 8.153 -9.939 -7.815 1.00 0.00 C ATOM 751 C GLN A 48 6.683 -9.682 -8.143 1.00 0.00 C ATOM 752 O GLN A 48 6.346 -9.380 -9.288 1.00 0.00 O ATOM 753 CB GLN A 48 8.671 -11.128 -8.627 1.00 0.00 C ATOM 754 CG GLN A 48 9.925 -10.817 -9.428 1.00 0.00 C ATOM 755 CD GLN A 48 10.067 -11.698 -10.654 1.00 0.00 C ATOM 756 OE1 GLN A 48 10.431 -11.228 -11.732 1.00 0.00 O ATOM 757 NE2 GLN A 48 9.778 -12.984 -10.495 1.00 0.00 N ATOM 0 H GLN A 48 8.578 -11.143 -6.149 1.00 0.00 H new ATOM 0 HA GLN A 48 8.706 -9.039 -8.084 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.878 -11.957 -7.950 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.888 -11.461 -9.308 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.905 -9.772 -9.737 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.800 -10.944 -8.790 1.00 0.00 H new ATOM 0 HE21 GLN A 48 9.480 -13.331 -9.583 1.00 0.00 H new ATOM 0 HE22 GLN A 48 9.854 -13.625 -11.285 1.00 0.00 H new ATOM 766 N ALA A 49 5.813 -9.783 -7.146 1.00 0.00 N ATOM 767 CA ALA A 49 4.395 -9.538 -7.362 1.00 0.00 C ATOM 768 C ALA A 49 4.105 -8.048 -7.305 1.00 0.00 C ATOM 769 O ALA A 49 3.448 -7.495 -8.187 1.00 0.00 O ATOM 770 CB ALA A 49 3.559 -10.284 -6.334 1.00 0.00 C ATOM 0 H ALA A 49 6.062 -10.031 -6.188 1.00 0.00 H new ATOM 0 HA ALA A 49 4.127 -9.908 -8.352 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.502 -10.088 -6.513 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.749 -11.354 -6.418 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.826 -9.946 -5.333 1.00 0.00 H new ATOM 776 N VAL A 50 4.604 -7.400 -6.260 1.00 0.00 N ATOM 777 CA VAL A 50 4.405 -5.972 -6.087 1.00 0.00 C ATOM 778 C VAL A 50 5.299 -5.175 -7.024 1.00 0.00 C ATOM 779 O VAL A 50 4.937 -4.094 -7.453 1.00 0.00 O ATOM 780 CB VAL A 50 4.677 -5.519 -4.641 1.00 0.00 C ATOM 781 CG1 VAL A 50 6.032 -6.024 -4.163 1.00 0.00 C ATOM 782 CG2 VAL A 50 4.593 -4.000 -4.542 1.00 0.00 C ATOM 0 H VAL A 50 5.149 -7.843 -5.521 1.00 0.00 H new ATOM 0 HA VAL A 50 3.358 -5.780 -6.324 1.00 0.00 H new ATOM 0 HB VAL A 50 3.914 -5.949 -3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.203 -5.692 -3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.048 -7.113 -4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.816 -5.628 -4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.787 -3.691 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.335 -3.551 -5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.597 -3.671 -4.838 1.00 0.00 H new ATOM 792 N VAL A 51 6.468 -5.710 -7.340 1.00 0.00 N ATOM 793 CA VAL A 51 7.388 -5.013 -8.230 1.00 0.00 C ATOM 794 C VAL A 51 6.675 -4.576 -9.511 1.00 0.00 C ATOM 795 O VAL A 51 6.972 -3.519 -10.066 1.00 0.00 O ATOM 796 CB VAL A 51 8.612 -5.885 -8.589 1.00 0.00 C ATOM 797 CG1 VAL A 51 9.549 -5.146 -9.537 1.00 0.00 C ATOM 798 CG2 VAL A 51 9.355 -6.306 -7.330 1.00 0.00 C ATOM 0 H VAL A 51 6.801 -6.612 -7.000 1.00 0.00 H new ATOM 0 HA VAL A 51 7.743 -4.132 -7.696 1.00 0.00 H new ATOM 0 HB VAL A 51 8.252 -6.780 -9.096 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.402 -5.782 -9.774 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.016 -4.897 -10.455 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.900 -4.230 -9.061 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.214 -6.919 -7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.697 -5.420 -6.796 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.687 -6.881 -6.689 1.00 0.00 H new ATOM 808 N ARG A 52 5.739 -5.400 -9.979 1.00 0.00 N ATOM 809 CA ARG A 52 4.991 -5.103 -11.197 1.00 0.00 C ATOM 810 C ARG A 52 3.873 -4.083 -10.960 1.00 0.00 C ATOM 811 O ARG A 52 3.626 -3.216 -11.798 1.00 0.00 O ATOM 812 CB ARG A 52 4.413 -6.395 -11.780 1.00 0.00 C ATOM 813 CG ARG A 52 3.559 -6.180 -13.021 1.00 0.00 C ATOM 814 CD ARG A 52 2.938 -7.481 -13.504 1.00 0.00 C ATOM 815 NE ARG A 52 1.504 -7.537 -13.233 1.00 0.00 N ATOM 816 CZ ARG A 52 0.751 -8.613 -13.446 1.00 0.00 C ATOM 817 NH1 ARG A 52 1.291 -9.724 -13.932 1.00 0.00 N ATOM 818 NH2 ARG A 52 -0.547 -8.579 -13.173 1.00 0.00 N ATOM 0 H ARG A 52 5.481 -6.280 -9.532 1.00 0.00 H new ATOM 0 HA ARG A 52 5.687 -4.657 -11.908 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.233 -7.070 -12.027 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.811 -6.890 -11.017 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.771 -5.460 -12.801 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.171 -5.751 -13.815 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.109 -7.588 -14.575 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.432 -8.321 -13.016 1.00 0.00 H new ATOM 0 HE ARG A 52 1.053 -6.702 -12.858 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.288 -9.756 -14.144 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.709 -10.546 -14.093 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.968 -7.728 -12.800 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.124 -9.404 -13.336 1.00 0.00 H new ATOM 832 N GLU A 53 3.222 -4.175 -9.809 1.00 0.00 N ATOM 833 CA GLU A 53 2.154 -3.240 -9.457 1.00 0.00 C ATOM 834 C GLU A 53 2.766 -1.930 -8.970 1.00 0.00 C ATOM 835 O GLU A 53 2.216 -0.850 -9.159 1.00 0.00 O ATOM 836 CB GLU A 53 1.253 -3.837 -8.375 1.00 0.00 C ATOM 837 CG GLU A 53 0.794 -5.253 -8.680 1.00 0.00 C ATOM 838 CD GLU A 53 0.098 -5.364 -10.023 1.00 0.00 C ATOM 839 OE1 GLU A 53 -1.045 -4.873 -10.141 1.00 0.00 O ATOM 840 OE2 GLU A 53 0.694 -5.943 -10.955 1.00 0.00 O ATOM 0 H GLU A 53 3.412 -4.885 -9.102 1.00 0.00 H new ATOM 0 HA GLU A 53 1.545 -3.048 -10.340 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.788 -3.834 -7.426 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.378 -3.199 -8.250 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.655 -5.921 -8.665 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.116 -5.588 -7.895 1.00 0.00 H new ATOM 847 N LEU A 54 3.890 -2.077 -8.287 1.00 0.00 N ATOM 848 CA LEU A 54 4.583 -0.946 -7.694 1.00 0.00 C ATOM 849 C LEU A 54 4.687 0.154 -8.734 1.00 0.00 C ATOM 850 O LEU A 54 4.354 1.308 -8.470 1.00 0.00 O ATOM 851 CB LEU A 54 5.976 -1.373 -7.230 1.00 0.00 C ATOM 852 CG LEU A 54 6.700 -0.362 -6.352 1.00 0.00 C ATOM 853 CD1 LEU A 54 6.353 -0.587 -4.890 1.00 0.00 C ATOM 854 CD2 LEU A 54 8.201 -0.448 -6.571 1.00 0.00 C ATOM 0 H LEU A 54 4.344 -2.977 -8.129 1.00 0.00 H new ATOM 0 HA LEU A 54 4.032 -0.581 -6.827 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.888 -2.311 -6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.589 -1.574 -8.108 1.00 0.00 H new ATOM 0 HG LEU A 54 6.373 0.640 -6.630 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.878 0.144 -4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.278 -0.474 -4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.653 -1.593 -4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.704 0.281 -5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.549 -1.450 -6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.429 -0.237 -7.616 1.00 0.00 H new ATOM 866 N GLN A 55 5.129 -0.216 -9.924 1.00 0.00 N ATOM 867 CA GLN A 55 5.254 0.742 -11.020 1.00 0.00 C ATOM 868 C GLN A 55 3.882 1.039 -11.619 1.00 0.00 C ATOM 869 O GLN A 55 3.638 2.127 -12.138 1.00 0.00 O ATOM 870 CB GLN A 55 6.195 0.198 -12.098 1.00 0.00 C ATOM 871 CG GLN A 55 6.345 1.118 -13.298 1.00 0.00 C ATOM 872 CD GLN A 55 7.403 0.637 -14.272 1.00 0.00 C ATOM 873 OE1 GLN A 55 7.262 -0.420 -14.887 1.00 0.00 O ATOM 874 NE2 GLN A 55 8.472 1.412 -14.417 1.00 0.00 N ATOM 0 H GLN A 55 5.408 -1.168 -10.160 1.00 0.00 H new ATOM 0 HA GLN A 55 5.673 1.668 -10.627 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.177 0.027 -11.658 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.824 -0.769 -12.437 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.388 1.194 -13.815 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.602 2.120 -12.954 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.548 2.280 -13.887 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.217 1.139 -15.058 1.00 0.00 H new ATOM 883 N GLU A 56 2.985 0.065 -11.526 1.00 0.00 N ATOM 884 CA GLU A 56 1.627 0.219 -12.037 1.00 0.00 C ATOM 885 C GLU A 56 0.838 1.184 -11.164 1.00 0.00 C ATOM 886 O GLU A 56 -0.139 1.788 -11.606 1.00 0.00 O ATOM 887 CB GLU A 56 0.916 -1.132 -12.056 1.00 0.00 C ATOM 888 CG GLU A 56 -0.185 -1.233 -13.100 1.00 0.00 C ATOM 889 CD GLU A 56 -1.520 -1.643 -12.505 1.00 0.00 C ATOM 890 OE1 GLU A 56 -1.531 -2.184 -11.378 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.557 -1.423 -13.167 1.00 0.00 O ATOM 0 H GLU A 56 3.174 -0.843 -11.100 1.00 0.00 H new ATOM 0 HA GLU A 56 1.686 0.615 -13.051 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.651 -1.916 -12.240 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.488 -1.321 -11.071 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.295 -0.271 -13.601 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.107 -1.957 -13.861 1.00 0.00 H new ATOM 898 N GLU A 57 1.263 1.305 -9.911 1.00 0.00 N ATOM 899 CA GLU A 57 0.597 2.169 -8.956 1.00 0.00 C ATOM 900 C GLU A 57 1.427 3.415 -8.641 1.00 0.00 C ATOM 901 O GLU A 57 1.062 4.208 -7.772 1.00 0.00 O ATOM 902 CB GLU A 57 0.290 1.397 -7.676 1.00 0.00 C ATOM 903 CG GLU A 57 -0.932 0.501 -7.792 1.00 0.00 C ATOM 904 CD GLU A 57 -0.584 -0.973 -7.718 1.00 0.00 C ATOM 905 OE1 GLU A 57 0.439 -1.311 -7.090 1.00 0.00 O ATOM 906 OE2 GLU A 57 -1.338 -1.789 -8.290 1.00 0.00 O ATOM 0 H GLU A 57 2.072 0.810 -9.536 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.337 2.504 -9.406 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.154 0.788 -7.411 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.137 2.105 -6.861 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.634 0.745 -6.995 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.438 0.704 -8.736 1.00 0.00 H new ATOM 913 N VAL A 58 2.534 3.594 -9.361 1.00 0.00 N ATOM 914 CA VAL A 58 3.397 4.752 -9.164 1.00 0.00 C ATOM 915 C VAL A 58 3.761 5.357 -10.514 1.00 0.00 C ATOM 916 O VAL A 58 3.694 6.569 -10.711 1.00 0.00 O ATOM 917 CB VAL A 58 4.680 4.371 -8.377 1.00 0.00 C ATOM 918 CG1 VAL A 58 5.914 4.334 -9.273 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.892 5.320 -7.206 1.00 0.00 C ATOM 0 H VAL A 58 2.852 2.950 -10.085 1.00 0.00 H new ATOM 0 HA VAL A 58 2.854 5.490 -8.574 1.00 0.00 H new ATOM 0 HB VAL A 58 4.535 3.363 -7.989 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.787 4.063 -8.679 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.769 3.596 -10.062 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.069 5.316 -9.719 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.796 5.036 -6.667 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.996 6.339 -7.578 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.036 5.265 -6.533 1.00 0.00 H new ATOM 929 N GLY A 59 4.112 4.484 -11.450 1.00 0.00 N ATOM 930 CA GLY A 59 4.448 4.901 -12.794 1.00 0.00 C ATOM 931 C GLY A 59 5.728 5.702 -12.917 1.00 0.00 C ATOM 932 O GLY A 59 6.465 5.554 -13.892 1.00 0.00 O ATOM 0 H GLY A 59 4.170 3.477 -11.295 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.531 4.015 -13.423 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.625 5.497 -13.189 1.00 0.00 H new ATOM 936 N ILE A 60 5.983 6.557 -11.953 1.00 0.00 N ATOM 937 CA ILE A 60 7.174 7.395 -11.979 1.00 0.00 C ATOM 938 C ILE A 60 8.378 6.656 -11.415 1.00 0.00 C ATOM 939 O ILE A 60 8.305 5.467 -11.111 1.00 0.00 O ATOM 940 CB ILE A 60 6.989 8.723 -11.201 1.00 0.00 C ATOM 941 CG1 ILE A 60 5.776 8.681 -10.268 1.00 0.00 C ATOM 942 CG2 ILE A 60 6.869 9.890 -12.167 1.00 0.00 C ATOM 943 CD1 ILE A 60 5.934 7.718 -9.112 1.00 0.00 C ATOM 0 H ILE A 60 5.385 6.695 -11.138 1.00 0.00 H new ATOM 0 HA ILE A 60 7.345 7.636 -13.028 1.00 0.00 H new ATOM 0 HB ILE A 60 7.874 8.860 -10.580 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.596 9.681 -9.875 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.894 8.402 -10.845 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.740 10.815 -11.606 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.773 9.956 -12.772 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.008 9.737 -12.817 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.037 7.741 -8.494 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.083 6.709 -9.497 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.796 8.009 -8.512 1.00 0.00 H new ATOM 955 N THR A 61 9.488 7.377 -11.285 1.00 0.00 N ATOM 956 CA THR A 61 10.714 6.817 -10.765 1.00 0.00 C ATOM 957 C THR A 61 11.019 7.413 -9.396 1.00 0.00 C ATOM 958 O THR A 61 11.673 8.450 -9.297 1.00 0.00 O ATOM 959 CB THR A 61 11.839 7.150 -11.727 1.00 0.00 C ATOM 960 OG1 THR A 61 11.571 8.366 -12.405 1.00 0.00 O ATOM 961 CG2 THR A 61 12.063 6.085 -12.775 1.00 0.00 C ATOM 0 H THR A 61 9.555 8.363 -11.539 1.00 0.00 H new ATOM 0 HA THR A 61 10.613 5.737 -10.661 1.00 0.00 H new ATOM 0 HB THR A 61 12.735 7.226 -11.111 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.307 8.567 -13.020 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.881 6.385 -13.430 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.315 5.143 -12.288 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.155 5.957 -13.364 1.00 0.00 H new ATOM 969 N PRO A 62 10.502 6.800 -8.323 1.00 0.00 N ATOM 970 CA PRO A 62 10.662 7.289 -6.975 1.00 0.00 C ATOM 971 C PRO A 62 11.526 6.410 -6.086 1.00 0.00 C ATOM 972 O PRO A 62 11.550 5.189 -6.243 1.00 0.00 O ATOM 973 CB PRO A 62 9.219 7.177 -6.515 1.00 0.00 C ATOM 974 CG PRO A 62 8.762 5.870 -7.097 1.00 0.00 C ATOM 975 CD PRO A 62 9.637 5.615 -8.310 1.00 0.00 C ATOM 0 HA PRO A 62 11.147 8.264 -6.929 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.144 7.180 -5.428 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.617 8.010 -6.878 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.862 5.064 -6.370 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.710 5.917 -7.379 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.211 4.693 -8.212 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.050 5.529 -9.225 1.00 0.00 H new ATOM 983 N GLN A 63 12.169 7.024 -5.099 1.00 0.00 N ATOM 984 CA GLN A 63 12.942 6.263 -4.142 1.00 0.00 C ATOM 985 C GLN A 63 11.930 5.593 -3.231 1.00 0.00 C ATOM 986 O GLN A 63 11.610 6.080 -2.149 1.00 0.00 O ATOM 987 CB GLN A 63 13.879 7.171 -3.349 1.00 0.00 C ATOM 988 CG GLN A 63 15.084 7.636 -4.146 1.00 0.00 C ATOM 989 CD GLN A 63 15.993 8.550 -3.350 1.00 0.00 C ATOM 990 OE1 GLN A 63 16.844 8.091 -2.589 1.00 0.00 O ATOM 991 NE2 GLN A 63 15.817 9.855 -3.523 1.00 0.00 N ATOM 0 H GLN A 63 12.167 8.033 -4.947 1.00 0.00 H new ATOM 0 HA GLN A 63 13.577 5.529 -4.637 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.323 8.042 -3.004 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.223 6.640 -2.461 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.651 6.767 -4.480 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.744 8.158 -5.041 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.099 10.192 -4.164 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.400 10.520 -3.015 1.00 0.00 H new ATOM 1000 N HIS A 64 11.394 4.496 -3.731 1.00 0.00 N ATOM 1001 CA HIS A 64 10.358 3.750 -3.039 1.00 0.00 C ATOM 1002 C HIS A 64 10.743 2.288 -2.920 1.00 0.00 C ATOM 1003 O HIS A 64 11.137 1.659 -3.902 1.00 0.00 O ATOM 1004 CB HIS A 64 9.050 3.925 -3.824 1.00 0.00 C ATOM 1005 CG HIS A 64 7.927 2.986 -3.467 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.599 3.347 -3.577 1.00 0.00 N ATOM 1007 CD2 HIS A 64 7.922 1.699 -3.029 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.833 2.330 -3.224 1.00 0.00 C ATOM 1009 NE2 HIS A 64 6.610 1.321 -2.887 1.00 0.00 N ATOM 0 H HIS A 64 11.664 4.096 -4.629 1.00 0.00 H new ATOM 0 HA HIS A 64 10.229 4.125 -2.024 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.700 4.947 -3.682 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.270 3.808 -4.885 1.00 0.00 H new ATOM 0 HD1 HIS A 64 6.261 4.259 -3.884 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.789 1.087 -2.830 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.753 2.326 -3.214 1.00 0.00 H new ATOM 1018 N PHE A 65 10.631 1.751 -1.709 1.00 0.00 N ATOM 1019 CA PHE A 65 10.972 0.369 -1.456 1.00 0.00 C ATOM 1020 C PHE A 65 10.907 0.061 0.037 1.00 0.00 C ATOM 1021 O PHE A 65 10.422 0.863 0.822 1.00 0.00 O ATOM 1022 CB PHE A 65 12.380 0.112 -1.954 1.00 0.00 C ATOM 1023 CG PHE A 65 12.540 -1.195 -2.677 1.00 0.00 C ATOM 1024 CD1 PHE A 65 11.614 -1.585 -3.632 1.00 0.00 C ATOM 1025 CD2 PHE A 65 13.614 -2.031 -2.410 1.00 0.00 C ATOM 1026 CE1 PHE A 65 11.754 -2.781 -4.307 1.00 0.00 C ATOM 1027 CE2 PHE A 65 13.758 -3.230 -3.083 1.00 0.00 C ATOM 1028 CZ PHE A 65 12.826 -3.606 -4.033 1.00 0.00 C ATOM 0 H PHE A 65 10.304 2.261 -0.888 1.00 0.00 H new ATOM 0 HA PHE A 65 10.259 -0.271 -1.976 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.673 0.923 -2.621 1.00 0.00 H new ATOM 0 HB3 PHE A 65 13.065 0.133 -1.106 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.772 -0.945 -3.851 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.345 -1.743 -1.669 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.025 -3.071 -5.049 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.598 -3.873 -2.867 1.00 0.00 H new ATOM 0 HZ PHE A 65 12.937 -4.543 -4.559 1.00 0.00 H new ATOM 1038 N SER A 66 11.416 -1.104 0.414 1.00 0.00 N ATOM 1039 CA SER A 66 11.444 -1.529 1.808 1.00 0.00 C ATOM 1040 C SER A 66 10.055 -1.898 2.287 1.00 0.00 C ATOM 1041 O SER A 66 9.064 -1.552 1.651 1.00 0.00 O ATOM 1042 CB SER A 66 12.029 -0.429 2.697 1.00 0.00 C ATOM 1043 OG SER A 66 13.184 0.145 2.108 1.00 0.00 O ATOM 0 H SER A 66 11.820 -1.779 -0.235 1.00 0.00 H new ATOM 0 HA SER A 66 12.081 -2.411 1.876 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.280 0.345 2.864 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.282 -0.843 3.673 1.00 0.00 H new ATOM 0 HG SER A 66 13.537 0.846 2.695 1.00 0.00 H new ATOM 1049 N LEU A 67 9.989 -2.609 3.406 1.00 0.00 N ATOM 1050 CA LEU A 67 8.715 -3.028 3.966 1.00 0.00 C ATOM 1051 C LEU A 67 8.572 -2.563 5.409 1.00 0.00 C ATOM 1052 O LEU A 67 9.371 -2.929 6.273 1.00 0.00 O ATOM 1053 CB LEU A 67 8.571 -4.550 3.887 1.00 0.00 C ATOM 1054 CG LEU A 67 9.433 -5.340 4.877 1.00 0.00 C ATOM 1055 CD1 LEU A 67 8.598 -5.803 6.062 1.00 0.00 C ATOM 1056 CD2 LEU A 67 10.088 -6.528 4.187 1.00 0.00 C ATOM 0 H LEU A 67 10.804 -2.906 3.942 1.00 0.00 H new ATOM 0 HA LEU A 67 7.922 -2.567 3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.525 -4.809 4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.822 -4.870 2.876 1.00 0.00 H new ATOM 0 HG LEU A 67 10.220 -4.683 5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.227 -6.362 6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.179 -4.936 6.572 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.789 -6.443 5.709 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.696 -7.077 4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.317 -7.186 3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.721 -6.173 3.373 1.00 0.00 H new ATOM 1068 N PHE A 68 7.546 -1.762 5.670 1.00 0.00 N ATOM 1069 CA PHE A 68 7.298 -1.263 7.013 1.00 0.00 C ATOM 1070 C PHE A 68 6.679 -2.372 7.859 1.00 0.00 C ATOM 1071 O PHE A 68 6.984 -2.518 9.043 1.00 0.00 O ATOM 1072 CB PHE A 68 6.383 -0.024 6.960 1.00 0.00 C ATOM 1073 CG PHE A 68 5.163 -0.101 7.841 1.00 0.00 C ATOM 1074 CD1 PHE A 68 4.115 -0.946 7.519 1.00 0.00 C ATOM 1075 CD2 PHE A 68 5.067 0.673 8.986 1.00 0.00 C ATOM 1076 CE1 PHE A 68 2.994 -1.023 8.321 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.947 0.603 9.794 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.908 -0.246 9.460 1.00 0.00 C ATOM 0 H PHE A 68 6.875 -1.446 4.970 1.00 0.00 H new ATOM 0 HA PHE A 68 8.240 -0.961 7.472 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.965 0.852 7.245 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.061 0.129 5.930 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.175 -1.553 6.628 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.876 1.338 9.250 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.186 -1.689 8.058 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.884 1.211 10.685 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.031 -0.302 10.088 1.00 0.00 H new ATOM 1088 N GLU A 69 5.808 -3.152 7.226 1.00 0.00 N ATOM 1089 CA GLU A 69 5.134 -4.257 7.893 1.00 0.00 C ATOM 1090 C GLU A 69 4.357 -5.104 6.889 1.00 0.00 C ATOM 1091 O GLU A 69 4.148 -4.698 5.749 1.00 0.00 O ATOM 1092 CB GLU A 69 4.186 -3.729 8.972 1.00 0.00 C ATOM 1093 CG GLU A 69 4.109 -4.619 10.201 1.00 0.00 C ATOM 1094 CD GLU A 69 3.629 -3.872 11.431 1.00 0.00 C ATOM 1095 OE1 GLU A 69 4.461 -3.210 12.087 1.00 0.00 O ATOM 1096 OE2 GLU A 69 2.421 -3.948 11.737 1.00 0.00 O ATOM 0 H GLU A 69 5.552 -3.036 6.245 1.00 0.00 H new ATOM 0 HA GLU A 69 5.893 -4.883 8.362 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.511 -2.733 9.274 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.188 -3.623 8.547 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.436 -5.452 10.000 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.093 -5.045 10.399 1.00 0.00 H new ATOM 1103 N LYS A 70 3.934 -6.283 7.319 1.00 0.00 N ATOM 1104 CA LYS A 70 3.173 -7.191 6.467 1.00 0.00 C ATOM 1105 C LYS A 70 2.121 -7.909 7.310 1.00 0.00 C ATOM 1106 O LYS A 70 2.426 -8.385 8.403 1.00 0.00 O ATOM 1107 CB LYS A 70 4.101 -8.208 5.797 1.00 0.00 C ATOM 1108 CG LYS A 70 5.194 -8.734 6.716 1.00 0.00 C ATOM 1109 CD LYS A 70 5.316 -10.247 6.631 1.00 0.00 C ATOM 1110 CE LYS A 70 4.590 -10.929 7.778 1.00 0.00 C ATOM 1111 NZ LYS A 70 5.274 -10.702 9.081 1.00 0.00 N ATOM 0 H LYS A 70 4.105 -6.637 8.260 1.00 0.00 H new ATOM 0 HA LYS A 70 2.680 -6.616 5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.506 -9.047 5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.563 -7.746 4.924 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.146 -8.276 6.449 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.977 -8.443 7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.906 -10.593 5.682 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.369 -10.530 6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.568 -10.555 7.834 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.527 -11.999 7.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.986 -11.438 9.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.304 -10.742 8.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.011 -9.767 9.453 1.00 0.00 H new ATOM 1125 N LEU A 71 0.882 -7.977 6.826 1.00 0.00 N ATOM 1126 CA LEU A 71 -0.170 -8.630 7.591 1.00 0.00 C ATOM 1127 C LEU A 71 -0.469 -10.047 7.094 1.00 0.00 C ATOM 1128 O LEU A 71 -0.914 -10.261 5.967 1.00 0.00 O ATOM 1129 CB LEU A 71 -1.445 -7.771 7.553 1.00 0.00 C ATOM 1130 CG LEU A 71 -2.768 -8.526 7.367 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -3.098 -9.339 8.608 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -3.894 -7.553 7.047 1.00 0.00 C ATOM 0 H LEU A 71 0.589 -7.596 5.926 1.00 0.00 H new ATOM 0 HA LEU A 71 0.184 -8.726 8.618 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.503 -7.203 8.482 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.347 -7.048 6.743 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.659 -9.213 6.528 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.039 -9.867 8.457 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.302 -10.061 8.792 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.189 -8.673 9.466 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.825 -8.104 6.918 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.004 -6.842 7.865 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.660 -7.016 6.128 1.00 0.00 H new ATOM 1144 N GLU A 72 -0.196 -10.999 7.973 1.00 0.00 N ATOM 1145 CA GLU A 72 -0.412 -12.397 7.673 1.00 0.00 C ATOM 1146 C GLU A 72 -1.483 -12.995 8.581 1.00 0.00 C ATOM 1147 O GLU A 72 -1.259 -13.221 9.770 1.00 0.00 O ATOM 1148 CB GLU A 72 0.902 -13.158 7.811 1.00 0.00 C ATOM 1149 CG GLU A 72 0.745 -14.641 7.595 1.00 0.00 C ATOM 1150 CD GLU A 72 2.023 -15.415 7.855 1.00 0.00 C ATOM 1151 OE1 GLU A 72 2.849 -14.941 8.663 1.00 0.00 O ATOM 1152 OE2 GLU A 72 2.198 -16.493 7.250 1.00 0.00 O ATOM 0 H GLU A 72 0.178 -10.822 8.905 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.768 -12.484 6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.621 -12.765 7.092 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.316 -12.982 8.804 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.041 -15.017 8.250 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.419 -14.821 6.570 1.00 0.00 H new ATOM 1159 N TYR A 73 -2.650 -13.254 7.993 1.00 0.00 N ATOM 1160 CA TYR A 73 -3.774 -13.836 8.718 1.00 0.00 C ATOM 1161 C TYR A 73 -4.544 -14.814 7.833 1.00 0.00 C ATOM 1162 O TYR A 73 -4.965 -14.460 6.732 1.00 0.00 O ATOM 1163 CB TYR A 73 -4.711 -12.734 9.218 1.00 0.00 C ATOM 1164 CG TYR A 73 -5.524 -13.132 10.430 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -4.937 -13.809 11.493 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -6.877 -12.830 10.512 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -5.678 -14.174 12.601 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -7.624 -13.191 11.616 1.00 0.00 C ATOM 1169 CZ TYR A 73 -7.021 -13.862 12.659 1.00 0.00 C ATOM 1170 OH TYR A 73 -7.760 -14.224 13.760 1.00 0.00 O ATOM 0 H TYR A 73 -2.840 -13.067 7.008 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.379 -14.383 9.574 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.121 -11.850 9.461 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.389 -12.453 8.413 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.886 -14.053 11.452 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.353 -12.304 9.698 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -5.208 -14.701 13.418 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.676 -12.949 11.662 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.687 -13.929 13.643 1.00 0.00 H new ATOM 1180 N GLU A 74 -4.741 -16.034 8.315 1.00 0.00 N ATOM 1181 CA GLU A 74 -5.484 -17.034 7.551 1.00 0.00 C ATOM 1182 C GLU A 74 -6.695 -17.539 8.328 1.00 0.00 C ATOM 1183 O GLU A 74 -6.561 -18.284 9.299 1.00 0.00 O ATOM 1184 CB GLU A 74 -4.586 -18.204 7.146 1.00 0.00 C ATOM 1185 CG GLU A 74 -3.694 -18.711 8.267 1.00 0.00 C ATOM 1186 CD GLU A 74 -2.417 -19.348 7.752 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -2.504 -20.203 6.846 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -1.331 -18.992 8.256 1.00 0.00 O ATOM 0 H GLU A 74 -4.402 -16.355 9.222 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.840 -16.547 6.643 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.211 -19.024 6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.961 -17.896 6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.441 -17.882 8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.244 -19.439 8.863 1.00 0.00 H new ATOM 1195 N PHE A 75 -7.876 -17.127 7.885 1.00 0.00 N ATOM 1196 CA PHE A 75 -9.125 -17.522 8.506 1.00 0.00 C ATOM 1197 C PHE A 75 -9.445 -18.984 8.188 1.00 0.00 C ATOM 1198 O PHE A 75 -8.872 -19.561 7.270 1.00 0.00 O ATOM 1199 CB PHE A 75 -10.247 -16.611 8.011 1.00 0.00 C ATOM 1200 CG PHE A 75 -10.443 -15.376 8.842 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -9.675 -14.244 8.612 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -11.397 -15.340 9.849 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -9.854 -13.103 9.371 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -11.578 -14.202 10.611 1.00 0.00 C ATOM 1205 CZ PHE A 75 -10.807 -13.082 10.371 1.00 0.00 C ATOM 0 H PHE A 75 -7.990 -16.508 7.082 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.033 -17.424 9.588 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -10.034 -16.315 6.984 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -11.179 -17.176 7.993 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.929 -14.254 7.831 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -12.005 -16.212 10.039 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.249 -12.228 9.183 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.322 -14.188 11.394 1.00 0.00 H new ATOM 0 HZ PHE A 75 -10.949 -12.191 10.964 1.00 0.00 H new ATOM 1215 N PRO A 76 -10.370 -19.599 8.946 1.00 0.00 N ATOM 1216 CA PRO A 76 -10.783 -20.994 8.748 1.00 0.00 C ATOM 1217 C PRO A 76 -11.110 -21.292 7.288 1.00 0.00 C ATOM 1218 O PRO A 76 -12.267 -21.230 6.873 1.00 0.00 O ATOM 1219 CB PRO A 76 -12.045 -21.128 9.618 1.00 0.00 C ATOM 1220 CG PRO A 76 -12.398 -19.733 10.015 1.00 0.00 C ATOM 1221 CD PRO A 76 -11.102 -18.983 10.045 1.00 0.00 C ATOM 0 HA PRO A 76 -9.993 -21.695 9.017 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.858 -21.597 9.063 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -11.856 -21.750 10.493 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -13.093 -19.287 9.303 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -12.885 -19.714 10.990 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -11.246 -17.914 9.891 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.584 -19.101 10.997 1.00 0.00 H new ATOM 1229 N ASP A 77 -10.066 -21.597 6.523 1.00 0.00 N ATOM 1230 CA ASP A 77 -10.180 -21.899 5.089 1.00 0.00 C ATOM 1231 C ASP A 77 -9.953 -20.636 4.265 1.00 0.00 C ATOM 1232 O ASP A 77 -10.467 -20.497 3.156 1.00 0.00 O ATOM 1233 CB ASP A 77 -11.544 -22.514 4.748 1.00 0.00 C ATOM 1234 CG ASP A 77 -11.522 -23.278 3.439 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -11.044 -24.432 3.434 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -11.982 -22.723 2.420 1.00 0.00 O ATOM 0 H ASP A 77 -9.110 -21.643 6.876 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.412 -22.632 4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -11.848 -23.184 5.552 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -12.292 -21.723 4.692 1.00 0.00 H new ATOM 1241 N ARG A 78 -9.176 -19.721 4.831 1.00 0.00 N ATOM 1242 CA ARG A 78 -8.857 -18.455 4.191 1.00 0.00 C ATOM 1243 C ARG A 78 -7.382 -18.121 4.381 1.00 0.00 C ATOM 1244 O ARG A 78 -6.770 -18.521 5.370 1.00 0.00 O ATOM 1245 CB ARG A 78 -9.729 -17.332 4.744 1.00 0.00 C ATOM 1246 CG ARG A 78 -9.965 -16.209 3.746 1.00 0.00 C ATOM 1247 CD ARG A 78 -11.364 -16.274 3.155 1.00 0.00 C ATOM 1248 NE ARG A 78 -12.385 -15.865 4.117 1.00 0.00 N ATOM 1249 CZ ARG A 78 -12.685 -14.597 4.386 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -12.041 -13.609 3.774 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -13.632 -14.313 5.269 1.00 0.00 N ATOM 0 H ARG A 78 -8.749 -19.838 5.750 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.060 -18.552 3.125 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.690 -17.745 5.051 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.258 -16.922 5.638 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.821 -15.247 4.238 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.228 -16.271 2.946 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.416 -15.632 2.276 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.569 -17.291 2.819 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.898 -16.595 4.612 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.312 -13.820 3.093 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.276 -12.639 3.985 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.131 -15.067 5.742 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.862 -13.341 5.475 1.00 0.00 H new ATOM 1265 N HIS A 79 -6.824 -17.366 3.445 1.00 0.00 N ATOM 1266 CA HIS A 79 -5.433 -16.950 3.520 1.00 0.00 C ATOM 1267 C HIS A 79 -5.272 -15.561 2.915 1.00 0.00 C ATOM 1268 O HIS A 79 -5.334 -15.400 1.697 1.00 0.00 O ATOM 1269 CB HIS A 79 -4.530 -17.951 2.794 1.00 0.00 C ATOM 1270 CG HIS A 79 -3.250 -18.234 3.518 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -2.175 -17.370 3.511 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -2.875 -19.292 4.276 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -1.194 -17.886 4.231 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -1.594 -19.050 4.706 1.00 0.00 N ATOM 0 H HIS A 79 -7.319 -17.028 2.620 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.136 -16.918 4.568 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.074 -18.885 2.655 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.299 -17.566 1.801 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -3.472 -20.163 4.500 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -0.229 -17.432 4.401 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -1.041 -19.670 5.297 1.00 0.00 H new ATOM 1283 N ILE A 80 -5.049 -14.556 3.755 1.00 0.00 N ATOM 1284 CA ILE A 80 -4.865 -13.204 3.279 1.00 0.00 C ATOM 1285 C ILE A 80 -3.472 -12.720 3.654 1.00 0.00 C ATOM 1286 O ILE A 80 -3.012 -12.941 4.775 1.00 0.00 O ATOM 1287 CB ILE A 80 -5.922 -12.247 3.866 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -5.667 -10.831 3.373 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -5.902 -12.290 5.384 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -6.927 -10.015 3.187 1.00 0.00 C ATOM 0 H ILE A 80 -4.993 -14.660 4.768 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.981 -13.208 2.195 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.908 -12.568 3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.016 -10.321 4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.131 -10.877 2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.655 -11.607 5.777 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.119 -13.303 5.722 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.918 -11.990 5.744 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.666 -9.017 2.834 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.571 -10.502 2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.454 -9.937 4.138 1.00 0.00 H new ATOM 1302 N THR A 81 -2.795 -12.073 2.719 1.00 0.00 N ATOM 1303 CA THR A 81 -1.455 -11.580 2.968 1.00 0.00 C ATOM 1304 C THR A 81 -1.300 -10.153 2.459 1.00 0.00 C ATOM 1305 O THR A 81 -1.437 -9.892 1.265 1.00 0.00 O ATOM 1306 CB THR A 81 -0.444 -12.501 2.290 1.00 0.00 C ATOM 1307 OG1 THR A 81 -1.106 -13.503 1.538 1.00 0.00 O ATOM 1308 CG2 THR A 81 0.478 -13.199 3.259 1.00 0.00 C ATOM 0 H THR A 81 -3.152 -11.879 1.784 1.00 0.00 H new ATOM 0 HA THR A 81 -1.274 -11.573 4.043 1.00 0.00 H new ATOM 0 HB THR A 81 0.152 -11.850 1.651 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.527 -14.290 1.460 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.169 -13.837 2.708 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.041 -12.457 3.824 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.110 -13.809 3.945 1.00 0.00 H new ATOM 1316 N LEU A 82 -1.008 -9.232 3.368 1.00 0.00 N ATOM 1317 CA LEU A 82 -0.831 -7.834 2.999 1.00 0.00 C ATOM 1318 C LEU A 82 0.583 -7.366 3.320 1.00 0.00 C ATOM 1319 O LEU A 82 0.966 -7.291 4.479 1.00 0.00 O ATOM 1320 CB LEU A 82 -1.850 -6.960 3.733 1.00 0.00 C ATOM 1321 CG LEU A 82 -3.116 -6.637 2.939 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -4.257 -6.274 3.876 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -2.853 -5.508 1.955 1.00 0.00 C ATOM 0 H LEU A 82 -0.889 -9.427 4.362 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.991 -7.741 1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.137 -7.461 4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.367 -6.024 4.015 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.405 -7.525 2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.149 -6.047 3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.462 -7.113 4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.979 -5.401 4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.765 -5.291 1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.539 -4.617 2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.066 -5.806 1.262 1.00 0.00 H new ATOM 1335 N TRP A 83 1.359 -7.046 2.294 1.00 0.00 N ATOM 1336 CA TRP A 83 2.725 -6.586 2.508 1.00 0.00 C ATOM 1337 C TRP A 83 2.825 -5.080 2.328 1.00 0.00 C ATOM 1338 O TRP A 83 2.495 -4.548 1.268 1.00 0.00 O ATOM 1339 CB TRP A 83 3.681 -7.286 1.543 1.00 0.00 C ATOM 1340 CG TRP A 83 3.810 -8.755 1.801 1.00 0.00 C ATOM 1341 CD1 TRP A 83 2.831 -9.591 2.252 1.00 0.00 C ATOM 1342 CD2 TRP A 83 4.980 -9.561 1.628 1.00 0.00 C ATOM 1343 NE1 TRP A 83 3.318 -10.868 2.368 1.00 0.00 N ATOM 1344 CE2 TRP A 83 4.636 -10.876 1.992 1.00 0.00 C ATOM 1345 CE3 TRP A 83 6.285 -9.300 1.200 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 5.549 -11.926 1.941 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 7.190 -10.343 1.150 1.00 0.00 C ATOM 1348 CH2 TRP A 83 6.819 -11.643 1.518 1.00 0.00 C ATOM 0 H TRP A 83 1.072 -7.095 1.317 1.00 0.00 H new ATOM 0 HA TRP A 83 3.006 -6.834 3.532 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.333 -7.132 0.522 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.665 -6.823 1.617 1.00 0.00 H new ATOM 0 HD1 TRP A 83 1.820 -9.291 2.484 1.00 0.00 H new ATOM 0 HE1 TRP A 83 2.786 -11.679 2.683 1.00 0.00 H new ATOM 0 HE3 TRP A 83 6.580 -8.301 0.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.265 -12.928 2.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 8.201 -10.153 0.821 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.549 -12.437 1.467 1.00 0.00 H new ATOM 1359 N PHE A 84 3.285 -4.395 3.368 1.00 0.00 N ATOM 1360 CA PHE A 84 3.428 -2.949 3.310 1.00 0.00 C ATOM 1361 C PHE A 84 4.868 -2.567 2.962 1.00 0.00 C ATOM 1362 O PHE A 84 5.801 -2.936 3.675 1.00 0.00 O ATOM 1363 CB PHE A 84 3.000 -2.296 4.634 1.00 0.00 C ATOM 1364 CG PHE A 84 1.504 -2.209 4.824 1.00 0.00 C ATOM 1365 CD1 PHE A 84 0.646 -3.039 4.115 1.00 0.00 C ATOM 1366 CD2 PHE A 84 0.954 -1.295 5.717 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -0.723 -2.961 4.291 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -0.415 -1.216 5.894 1.00 0.00 C ATOM 1369 CZ PHE A 84 -1.252 -2.049 5.181 1.00 0.00 C ATOM 0 H PHE A 84 3.563 -4.815 4.255 1.00 0.00 H new ATOM 0 HA PHE A 84 2.770 -2.576 2.525 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.428 -2.862 5.461 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.421 -1.292 4.684 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.053 -3.755 3.417 1.00 0.00 H new ATOM 0 HD2 PHE A 84 1.604 -0.640 6.278 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.378 -3.613 3.732 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.829 -0.502 6.591 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.321 -1.987 5.319 1.00 0.00 H new ATOM 1379 N TRP A 85 5.045 -1.833 1.861 1.00 0.00 N ATOM 1380 CA TRP A 85 6.377 -1.410 1.423 1.00 0.00 C ATOM 1381 C TRP A 85 6.675 0.018 1.876 1.00 0.00 C ATOM 1382 O TRP A 85 6.009 0.960 1.445 1.00 0.00 O ATOM 1383 CB TRP A 85 6.491 -1.512 -0.099 1.00 0.00 C ATOM 1384 CG TRP A 85 6.422 -2.920 -0.603 1.00 0.00 C ATOM 1385 CD1 TRP A 85 5.295 -3.653 -0.836 1.00 0.00 C ATOM 1386 CD2 TRP A 85 7.528 -3.768 -0.931 1.00 0.00 C ATOM 1387 NE1 TRP A 85 5.632 -4.904 -1.289 1.00 0.00 N ATOM 1388 CE2 TRP A 85 6.998 -4.999 -1.356 1.00 0.00 C ATOM 1389 CE3 TRP A 85 8.916 -3.603 -0.907 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 7.806 -6.061 -1.754 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 9.717 -4.658 -1.302 1.00 0.00 C ATOM 1392 CH2 TRP A 85 9.161 -5.873 -1.722 1.00 0.00 C ATOM 0 H TRP A 85 4.284 -1.520 1.258 1.00 0.00 H new ATOM 0 HA TRP A 85 7.110 -2.074 1.881 1.00 0.00 H new ATOM 0 HB2 TRP A 85 5.691 -0.930 -0.557 1.00 0.00 H new ATOM 0 HB3 TRP A 85 7.433 -1.065 -0.417 1.00 0.00 H new ATOM 0 HD1 TRP A 85 4.285 -3.300 -0.686 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.973 -5.643 -1.536 1.00 0.00 H new ATOM 0 HE3 TRP A 85 9.354 -2.669 -0.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 7.379 -6.999 -2.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 10.791 -4.543 -1.286 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.814 -6.677 -2.027 1.00 0.00 H new ATOM 1403 N LEU A 86 7.637 0.174 2.789 1.00 0.00 N ATOM 1404 CA LEU A 86 7.935 1.504 3.318 1.00 0.00 C ATOM 1405 C LEU A 86 8.700 2.381 2.323 1.00 0.00 C ATOM 1406 O LEU A 86 9.919 2.301 2.196 1.00 0.00 O ATOM 1407 CB LEU A 86 8.735 1.379 4.616 1.00 0.00 C ATOM 1408 CG LEU A 86 9.175 2.705 5.239 1.00 0.00 C ATOM 1409 CD1 LEU A 86 7.967 3.567 5.571 1.00 0.00 C ATOM 1410 CD2 LEU A 86 10.012 2.456 6.484 1.00 0.00 C ATOM 0 H LEU A 86 8.208 -0.582 3.168 1.00 0.00 H new ATOM 0 HA LEU A 86 6.979 1.993 3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.133 0.836 5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.621 0.775 4.421 1.00 0.00 H new ATOM 0 HG LEU A 86 9.788 3.240 4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.300 4.506 6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.406 3.774 4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.327 3.040 6.279 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.317 3.410 6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.423 1.900 7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.898 1.879 6.218 1.00 0.00 H new ATOM 1422 N VAL A 87 7.940 3.229 1.643 1.00 0.00 N ATOM 1423 CA VAL A 87 8.461 4.162 0.640 1.00 0.00 C ATOM 1424 C VAL A 87 9.176 5.328 1.273 1.00 0.00 C ATOM 1425 O VAL A 87 8.808 5.771 2.360 1.00 0.00 O ATOM 1426 CB VAL A 87 7.341 4.723 -0.223 1.00 0.00 C ATOM 1427 CG1 VAL A 87 7.896 5.475 -1.424 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.414 3.602 -0.653 1.00 0.00 C ATOM 0 H VAL A 87 6.930 3.293 1.771 1.00 0.00 H new ATOM 0 HA VAL A 87 9.161 3.589 0.032 1.00 0.00 H new ATOM 0 HB VAL A 87 6.769 5.439 0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.072 5.864 -2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.517 6.302 -1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.497 4.798 -2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.613 4.009 -1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.976 2.865 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.985 3.126 0.229 1.00 0.00 H new ATOM 1438 N GLU A 88 10.215 5.816 0.608 1.00 0.00 N ATOM 1439 CA GLU A 88 10.967 6.930 1.156 1.00 0.00 C ATOM 1440 C GLU A 88 10.831 8.236 0.354 1.00 0.00 C ATOM 1441 O GLU A 88 10.807 9.313 0.948 1.00 0.00 O ATOM 1442 CB GLU A 88 12.444 6.559 1.296 1.00 0.00 C ATOM 1443 CG GLU A 88 12.678 5.112 1.702 1.00 0.00 C ATOM 1444 CD GLU A 88 14.091 4.864 2.188 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.644 5.743 2.883 1.00 0.00 O ATOM 1446 OE2 GLU A 88 14.648 3.789 1.874 1.00 0.00 O ATOM 0 H GLU A 88 10.548 5.466 -0.290 1.00 0.00 H new ATOM 0 HA GLU A 88 10.531 7.126 2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.947 6.746 0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.905 7.213 2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.974 4.841 2.489 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.471 4.462 0.852 1.00 0.00 H new ATOM 1453 N ARG A 89 10.772 8.169 -0.979 1.00 0.00 N ATOM 1454 CA ARG A 89 10.670 9.396 -1.777 1.00 0.00 C ATOM 1455 C ARG A 89 10.205 9.115 -3.203 1.00 0.00 C ATOM 1456 O ARG A 89 10.230 7.973 -3.660 1.00 0.00 O ATOM 1457 CB ARG A 89 12.007 10.164 -1.808 1.00 0.00 C ATOM 1458 CG ARG A 89 13.181 9.459 -1.131 1.00 0.00 C ATOM 1459 CD ARG A 89 13.609 10.173 0.143 1.00 0.00 C ATOM 1460 NE ARG A 89 13.776 11.610 -0.065 1.00 0.00 N ATOM 1461 CZ ARG A 89 14.098 12.466 0.903 1.00 0.00 C ATOM 1462 NH1 ARG A 89 14.288 12.036 2.144 1.00 0.00 N ATOM 1463 NH2 ARG A 89 14.231 13.757 0.629 1.00 0.00 N ATOM 0 H ARG A 89 10.792 7.303 -1.518 1.00 0.00 H new ATOM 0 HA ARG A 89 9.919 10.017 -1.289 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.272 10.358 -2.847 1.00 0.00 H new ATOM 0 HB3 ARG A 89 11.862 11.133 -1.330 1.00 0.00 H new ATOM 0 HG2 ARG A 89 12.902 8.432 -0.896 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.023 9.411 -1.821 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.865 10.003 0.921 1.00 0.00 H new ATOM 0 HD3 ARG A 89 14.547 9.747 0.500 1.00 0.00 H new ATOM 0 HE ARG A 89 13.638 11.979 -1.006 1.00 0.00 H new ATOM 0 HH11 ARG A 89 14.188 11.044 2.361 1.00 0.00 H new ATOM 0 HH12 ARG A 89 14.534 12.697 2.881 1.00 0.00 H new ATOM 0 HH21 ARG A 89 14.087 14.094 -0.323 1.00 0.00 H new ATOM 0 HH22 ARG A 89 14.478 14.413 1.370 1.00 0.00 H new ATOM 1477 N TRP A 90 9.804 10.173 -3.911 1.00 0.00 N ATOM 1478 CA TRP A 90 9.358 10.039 -5.295 1.00 0.00 C ATOM 1479 C TRP A 90 9.729 11.265 -6.125 1.00 0.00 C ATOM 1480 O TRP A 90 9.498 12.401 -5.711 1.00 0.00 O ATOM 1481 CB TRP A 90 7.848 9.781 -5.357 1.00 0.00 C ATOM 1482 CG TRP A 90 6.998 10.997 -5.152 1.00 0.00 C ATOM 1483 CD1 TRP A 90 6.807 12.027 -6.027 1.00 0.00 C ATOM 1484 CD2 TRP A 90 6.203 11.292 -4.003 1.00 0.00 C ATOM 1485 NE1 TRP A 90 5.939 12.946 -5.491 1.00 0.00 N ATOM 1486 CE2 TRP A 90 5.553 12.517 -4.247 1.00 0.00 C ATOM 1487 CE3 TRP A 90 5.979 10.638 -2.792 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 4.689 13.097 -3.324 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 5.121 11.216 -1.875 1.00 0.00 C ATOM 1490 CH2 TRP A 90 4.482 12.433 -2.145 1.00 0.00 C ATOM 0 H TRP A 90 9.780 11.126 -3.549 1.00 0.00 H new ATOM 0 HA TRP A 90 9.874 9.180 -5.725 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.607 9.345 -6.326 1.00 0.00 H new ATOM 0 HB3 TRP A 90 7.588 9.041 -4.601 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.271 12.107 -6.999 1.00 0.00 H new ATOM 0 HE1 TRP A 90 5.632 13.807 -5.944 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.466 9.699 -2.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 4.199 14.037 -3.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 4.940 10.720 -0.933 1.00 0.00 H new ATOM 0 HH2 TRP A 90 3.814 12.855 -1.409 1.00 0.00 H new ATOM 1501 N GLU A 91 10.309 11.027 -7.305 1.00 0.00 N ATOM 1502 CA GLU A 91 10.709 12.114 -8.189 1.00 0.00 C ATOM 1503 C GLU A 91 9.543 12.559 -9.067 1.00 0.00 C ATOM 1504 O GLU A 91 8.669 11.762 -9.404 1.00 0.00 O ATOM 1505 CB GLU A 91 11.886 11.679 -9.064 1.00 0.00 C ATOM 1506 CG GLU A 91 13.094 11.208 -8.270 1.00 0.00 C ATOM 1507 CD GLU A 91 14.396 11.785 -8.791 1.00 0.00 C ATOM 1508 OE1 GLU A 91 14.551 13.023 -8.760 1.00 0.00 O ATOM 1509 OE2 GLU A 91 15.260 10.996 -9.230 1.00 0.00 O ATOM 0 H GLU A 91 10.509 10.094 -7.665 1.00 0.00 H new ATOM 0 HA GLU A 91 11.017 12.958 -7.571 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.560 10.875 -9.724 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.183 12.513 -9.700 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.969 11.489 -7.224 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.144 10.120 -8.303 1.00 0.00 H new ATOM 1516 N GLY A 92 9.537 13.837 -9.431 1.00 0.00 N ATOM 1517 CA GLY A 92 8.473 14.364 -10.265 1.00 0.00 C ATOM 1518 C GLY A 92 7.119 14.297 -9.587 1.00 0.00 C ATOM 1519 O GLY A 92 6.947 14.805 -8.479 1.00 0.00 O ATOM 0 H GLY A 92 10.249 14.517 -9.164 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.696 15.399 -10.523 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.436 13.804 -11.199 1.00 0.00 H new ATOM 1523 N GLU A 93 6.156 13.667 -10.252 1.00 0.00 N ATOM 1524 CA GLU A 93 4.812 13.534 -9.704 1.00 0.00 C ATOM 1525 C GLU A 93 4.366 12.072 -9.708 1.00 0.00 C ATOM 1526 O GLU A 93 4.590 11.355 -10.684 1.00 0.00 O ATOM 1527 CB GLU A 93 3.825 14.383 -10.507 1.00 0.00 C ATOM 1528 CG GLU A 93 4.312 15.799 -10.765 1.00 0.00 C ATOM 1529 CD GLU A 93 3.651 16.433 -11.974 1.00 0.00 C ATOM 1530 OE1 GLU A 93 3.526 15.746 -13.009 1.00 0.00 O ATOM 1531 OE2 GLU A 93 3.260 17.615 -11.885 1.00 0.00 O ATOM 0 H GLU A 93 6.282 13.241 -11.170 1.00 0.00 H new ATOM 0 HA GLU A 93 4.829 13.888 -8.673 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.631 13.894 -11.462 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.876 14.426 -9.972 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.116 16.412 -9.885 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.392 15.787 -10.911 1.00 0.00 H new ATOM 1538 N PRO A 94 3.714 11.609 -8.624 1.00 0.00 N ATOM 1539 CA PRO A 94 3.228 10.233 -8.516 1.00 0.00 C ATOM 1540 C PRO A 94 1.968 10.024 -9.342 1.00 0.00 C ATOM 1541 O PRO A 94 1.011 10.788 -9.219 1.00 0.00 O ATOM 1542 CB PRO A 94 2.912 10.068 -7.016 1.00 0.00 C ATOM 1543 CG PRO A 94 3.372 11.329 -6.358 1.00 0.00 C ATOM 1544 CD PRO A 94 3.376 12.380 -7.427 1.00 0.00 C ATOM 0 HA PRO A 94 3.956 9.511 -8.886 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.845 9.911 -6.857 1.00 0.00 H new ATOM 0 HB3 PRO A 94 3.427 9.201 -6.602 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.706 11.607 -5.541 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.367 11.205 -5.930 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.406 12.869 -7.519 1.00 0.00 H new ATOM 0 HD3 PRO A 94 4.109 13.161 -7.226 1.00 0.00 H new ATOM 1552 N TRP A 95 1.957 8.994 -10.183 1.00 0.00 N ATOM 1553 CA TRP A 95 0.784 8.731 -11.003 1.00 0.00 C ATOM 1554 C TRP A 95 0.388 7.263 -10.993 1.00 0.00 C ATOM 1555 O TRP A 95 -0.696 6.908 -10.530 1.00 0.00 O ATOM 1556 CB TRP A 95 0.991 9.204 -12.447 1.00 0.00 C ATOM 1557 CG TRP A 95 2.262 8.740 -13.116 1.00 0.00 C ATOM 1558 CD1 TRP A 95 3.471 9.370 -13.095 1.00 0.00 C ATOM 1559 CD2 TRP A 95 2.441 7.568 -13.932 1.00 0.00 C ATOM 1560 NE1 TRP A 95 4.383 8.682 -13.865 1.00 0.00 N ATOM 1561 CE2 TRP A 95 3.774 7.575 -14.389 1.00 0.00 C ATOM 1562 CE3 TRP A 95 1.605 6.517 -14.324 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 4.283 6.581 -15.224 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 2.113 5.529 -15.148 1.00 0.00 C ATOM 1565 CH2 TRP A 95 3.440 5.570 -15.594 1.00 0.00 C ATOM 0 H TRP A 95 2.730 8.342 -10.312 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.031 9.301 -10.558 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.144 8.866 -13.045 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.974 10.294 -12.458 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.683 10.279 -12.552 1.00 0.00 H new ATOM 0 HE1 TRP A 95 5.354 8.954 -14.019 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.579 6.478 -13.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.307 6.609 -15.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.476 4.712 -15.453 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.805 4.788 -16.243 1.00 0.00 H new ATOM 1576 N GLY A 96 1.262 6.416 -11.513 1.00 0.00 N ATOM 1577 CA GLY A 96 0.976 4.992 -11.562 1.00 0.00 C ATOM 1578 C GLY A 96 -0.430 4.681 -12.050 1.00 0.00 C ATOM 1579 O GLY A 96 -0.769 4.950 -13.202 1.00 0.00 O ATOM 0 H GLY A 96 2.165 6.686 -11.903 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.698 4.505 -12.218 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.111 4.566 -10.568 1.00 0.00 H new ATOM 1583 N LYS A 97 -1.247 4.114 -11.163 1.00 0.00 N ATOM 1584 CA LYS A 97 -2.626 3.760 -11.492 1.00 0.00 C ATOM 1585 C LYS A 97 -3.307 3.058 -10.316 1.00 0.00 C ATOM 1586 O LYS A 97 -4.034 2.083 -10.502 1.00 0.00 O ATOM 1587 CB LYS A 97 -2.670 2.851 -12.726 1.00 0.00 C ATOM 1588 CG LYS A 97 -4.052 2.736 -13.345 1.00 0.00 C ATOM 1589 CD LYS A 97 -4.422 3.989 -14.123 1.00 0.00 C ATOM 1590 CE LYS A 97 -5.928 4.133 -14.263 1.00 0.00 C ATOM 1591 NZ LYS A 97 -6.315 4.647 -15.607 1.00 0.00 N ATOM 0 H LYS A 97 -0.975 3.889 -10.206 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.162 4.684 -11.708 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.976 3.234 -13.474 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.321 1.856 -12.447 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.083 1.872 -14.009 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.789 2.563 -12.561 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.017 4.865 -13.617 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.965 3.953 -15.112 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.402 3.166 -14.094 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.301 4.810 -13.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.350 4.731 -15.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.883 5.581 -15.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.982 3.988 -16.340 1.00 0.00 H new ATOM 1605 N GLU A 98 -3.069 3.560 -9.107 1.00 0.00 N ATOM 1606 CA GLU A 98 -3.665 2.978 -7.906 1.00 0.00 C ATOM 1607 C GLU A 98 -5.188 2.970 -8.009 1.00 0.00 C ATOM 1608 O GLU A 98 -5.829 1.950 -7.759 1.00 0.00 O ATOM 1609 CB GLU A 98 -3.225 3.754 -6.663 1.00 0.00 C ATOM 1610 CG GLU A 98 -3.572 5.233 -6.712 1.00 0.00 C ATOM 1611 CD GLU A 98 -3.038 5.997 -5.516 1.00 0.00 C ATOM 1612 OE1 GLU A 98 -2.996 5.415 -4.411 1.00 0.00 O ATOM 1613 OE2 GLU A 98 -2.661 7.175 -5.684 1.00 0.00 O ATOM 0 H GLU A 98 -2.469 4.366 -8.932 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.319 1.948 -7.818 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.691 3.309 -5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.147 3.646 -6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.167 5.667 -7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.655 5.347 -6.757 1.00 0.00 H new ATOM 1620 N GLY A 99 -5.762 4.109 -8.391 1.00 0.00 N ATOM 1621 CA GLY A 99 -7.205 4.194 -8.530 1.00 0.00 C ATOM 1622 C GLY A 99 -7.797 5.459 -7.937 1.00 0.00 C ATOM 1623 O GLY A 99 -8.705 6.054 -8.519 1.00 0.00 O ATOM 0 H GLY A 99 -5.257 4.969 -8.605 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.464 4.142 -9.588 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.660 3.329 -8.048 1.00 0.00 H new ATOM 1627 N GLN A 100 -7.302 5.868 -6.771 1.00 0.00 N ATOM 1628 CA GLN A 100 -7.816 7.063 -6.107 1.00 0.00 C ATOM 1629 C GLN A 100 -6.709 8.063 -5.793 1.00 0.00 C ATOM 1630 O GLN A 100 -5.973 7.908 -4.819 1.00 0.00 O ATOM 1631 CB GLN A 100 -8.546 6.675 -4.821 1.00 0.00 C ATOM 1632 CG GLN A 100 -9.754 5.783 -5.054 1.00 0.00 C ATOM 1633 CD GLN A 100 -10.338 5.244 -3.763 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -9.629 4.662 -2.943 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -11.639 5.436 -3.576 1.00 0.00 N ATOM 0 H GLN A 100 -6.551 5.393 -6.270 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.512 7.545 -6.794 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.849 6.163 -4.158 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.867 7.581 -4.308 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.520 6.346 -5.587 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.467 4.949 -5.695 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.189 5.924 -4.283 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.088 5.095 -2.726 1.00 0.00 H new ATOM 1644 N PRO A 101 -6.593 9.119 -6.616 1.00 0.00 N ATOM 1645 CA PRO A 101 -5.589 10.171 -6.429 1.00 0.00 C ATOM 1646 C PRO A 101 -5.471 10.615 -4.972 1.00 0.00 C ATOM 1647 O PRO A 101 -6.458 10.627 -4.236 1.00 0.00 O ATOM 1648 CB PRO A 101 -6.145 11.303 -7.284 1.00 0.00 C ATOM 1649 CG PRO A 101 -6.829 10.609 -8.406 1.00 0.00 C ATOM 1650 CD PRO A 101 -7.446 9.381 -7.797 1.00 0.00 C ATOM 0 HA PRO A 101 -4.586 9.845 -6.702 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.838 11.926 -6.719 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.351 11.957 -7.645 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.588 11.247 -8.859 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -6.123 10.345 -9.194 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.484 9.552 -7.513 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.440 8.541 -8.492 1.00 0.00 H new ATOM 1658 N GLY A 102 -4.259 10.973 -4.560 1.00 0.00 N ATOM 1659 CA GLY A 102 -4.041 11.407 -3.190 1.00 0.00 C ATOM 1660 C GLY A 102 -3.189 12.660 -3.093 1.00 0.00 C ATOM 1661 O GLY A 102 -2.706 13.173 -4.103 1.00 0.00 O ATOM 0 H GLY A 102 -3.425 10.971 -5.148 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.005 11.592 -2.716 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.560 10.603 -2.632 1.00 0.00 H new ATOM 1665 N GLU A 103 -3.000 13.147 -1.868 1.00 0.00 N ATOM 1666 CA GLU A 103 -2.195 14.340 -1.626 1.00 0.00 C ATOM 1667 C GLU A 103 -1.160 14.072 -0.535 1.00 0.00 C ATOM 1668 O GLU A 103 -1.389 13.256 0.358 1.00 0.00 O ATOM 1669 CB GLU A 103 -3.091 15.514 -1.224 1.00 0.00 C ATOM 1670 CG GLU A 103 -3.314 16.519 -2.341 1.00 0.00 C ATOM 1671 CD GLU A 103 -2.355 17.692 -2.269 1.00 0.00 C ATOM 1672 OE1 GLU A 103 -1.188 17.481 -1.877 1.00 0.00 O ATOM 1673 OE2 GLU A 103 -2.772 18.821 -2.606 1.00 0.00 O ATOM 0 H GLU A 103 -3.396 12.731 -1.025 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.673 14.597 -2.548 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.056 15.128 -0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.645 16.025 -0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -3.200 16.019 -3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.338 16.888 -2.294 1.00 0.00 H new ATOM 1680 N TRP A 104 -0.021 14.758 -0.611 1.00 0.00 N ATOM 1681 CA TRP A 104 1.043 14.574 0.379 1.00 0.00 C ATOM 1682 C TRP A 104 0.558 14.983 1.768 1.00 0.00 C ATOM 1683 O TRP A 104 0.407 16.170 2.057 1.00 0.00 O ATOM 1684 CB TRP A 104 2.301 15.386 0.009 1.00 0.00 C ATOM 1685 CG TRP A 104 2.356 15.820 -1.427 1.00 0.00 C ATOM 1686 CD1 TRP A 104 2.220 15.029 -2.530 1.00 0.00 C ATOM 1687 CD2 TRP A 104 2.563 17.153 -1.912 1.00 0.00 C ATOM 1688 NE1 TRP A 104 2.330 15.786 -3.670 1.00 0.00 N ATOM 1689 CE2 TRP A 104 2.540 17.092 -3.317 1.00 0.00 C ATOM 1690 CE3 TRP A 104 2.763 18.390 -1.292 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 2.710 18.222 -4.114 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 2.932 19.510 -2.084 1.00 0.00 C ATOM 1693 CH2 TRP A 104 2.906 19.420 -3.482 1.00 0.00 C ATOM 0 H TRP A 104 0.190 15.440 -1.339 1.00 0.00 H new ATOM 0 HA TRP A 104 1.306 13.516 0.386 1.00 0.00 H new ATOM 0 HB2 TRP A 104 2.349 16.270 0.645 1.00 0.00 H new ATOM 0 HB3 TRP A 104 3.184 14.786 0.229 1.00 0.00 H new ATOM 0 HD1 TRP A 104 2.050 13.963 -2.509 1.00 0.00 H new ATOM 0 HE1 TRP A 104 2.266 15.433 -4.625 1.00 0.00 H new ATOM 0 HE3 TRP A 104 2.785 18.469 -0.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 2.688 18.155 -5.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 3.087 20.471 -1.617 1.00 0.00 H new ATOM 0 HH2 TRP A 104 3.043 20.314 -4.073 1.00 0.00 H new ATOM 1704 N MET A 105 0.321 13.993 2.625 1.00 0.00 N ATOM 1705 CA MET A 105 -0.142 14.256 3.986 1.00 0.00 C ATOM 1706 C MET A 105 0.832 13.707 5.024 1.00 0.00 C ATOM 1707 O MET A 105 1.683 12.877 4.714 1.00 0.00 O ATOM 1708 CB MET A 105 -1.545 13.679 4.203 1.00 0.00 C ATOM 1709 CG MET A 105 -1.572 12.176 4.422 1.00 0.00 C ATOM 1710 SD MET A 105 -3.237 11.554 4.721 1.00 0.00 S ATOM 1711 CE MET A 105 -3.227 11.403 6.505 1.00 0.00 C ATOM 0 H MET A 105 0.441 13.005 2.403 1.00 0.00 H new ATOM 0 HA MET A 105 -0.189 15.337 4.115 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.998 14.169 5.065 1.00 0.00 H new ATOM 0 HB3 MET A 105 -2.163 13.920 3.338 1.00 0.00 H new ATOM 0 HG2 MET A 105 -1.152 11.677 3.549 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.935 11.924 5.270 1.00 0.00 H new ATOM 0 HE1 MET A 105 -4.193 11.028 6.844 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.442 10.710 6.807 1.00 0.00 H new ATOM 0 HE3 MET A 105 -3.040 12.380 6.952 1.00 0.00 H new ATOM 1721 N SER A 106 0.700 14.181 6.260 1.00 0.00 N ATOM 1722 CA SER A 106 1.569 13.743 7.347 1.00 0.00 C ATOM 1723 C SER A 106 1.136 12.382 7.888 1.00 0.00 C ATOM 1724 O SER A 106 0.020 12.224 8.380 1.00 0.00 O ATOM 1725 CB SER A 106 1.567 14.775 8.476 1.00 0.00 C ATOM 1726 OG SER A 106 0.275 14.912 9.040 1.00 0.00 O ATOM 0 H SER A 106 -0.001 14.869 6.533 1.00 0.00 H new ATOM 0 HA SER A 106 2.579 13.647 6.949 1.00 0.00 H new ATOM 0 HB2 SER A 106 2.274 14.474 9.249 1.00 0.00 H new ATOM 0 HB3 SER A 106 1.904 15.738 8.093 1.00 0.00 H new ATOM 0 HG SER A 106 -0.248 14.103 8.860 1.00 0.00 H new ATOM 1732 N LEU A 107 2.033 11.404 7.792 1.00 0.00 N ATOM 1733 CA LEU A 107 1.753 10.050 8.271 1.00 0.00 C ATOM 1734 C LEU A 107 1.664 10.002 9.799 1.00 0.00 C ATOM 1735 O LEU A 107 1.128 9.051 10.367 1.00 0.00 O ATOM 1736 CB LEU A 107 2.834 9.080 7.784 1.00 0.00 C ATOM 1737 CG LEU A 107 2.408 7.610 7.693 1.00 0.00 C ATOM 1738 CD1 LEU A 107 2.353 6.984 9.078 1.00 0.00 C ATOM 1739 CD2 LEU A 107 1.061 7.477 6.994 1.00 0.00 C ATOM 0 H LEU A 107 2.961 11.522 7.387 1.00 0.00 H new ATOM 0 HA LEU A 107 0.787 9.750 7.865 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.172 9.404 6.800 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.691 9.151 8.454 1.00 0.00 H new ATOM 0 HG LEU A 107 3.152 7.077 7.101 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.049 5.941 8.994 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.338 7.039 9.541 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.632 7.523 9.693 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.781 6.425 6.942 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.305 8.027 7.554 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.133 7.884 5.985 1.00 0.00 H new ATOM 1751 N VAL A 108 2.204 11.024 10.457 1.00 0.00 N ATOM 1752 CA VAL A 108 2.202 11.096 11.918 1.00 0.00 C ATOM 1753 C VAL A 108 0.795 10.976 12.507 1.00 0.00 C ATOM 1754 O VAL A 108 0.640 10.773 13.712 1.00 0.00 O ATOM 1755 CB VAL A 108 2.834 12.412 12.410 1.00 0.00 C ATOM 1756 CG1 VAL A 108 3.026 12.382 13.919 1.00 0.00 C ATOM 1757 CG2 VAL A 108 4.156 12.666 11.702 1.00 0.00 C ATOM 0 H VAL A 108 2.651 11.819 10.000 1.00 0.00 H new ATOM 0 HA VAL A 108 2.795 10.248 12.262 1.00 0.00 H new ATOM 0 HB VAL A 108 2.156 13.231 12.170 1.00 0.00 H new ATOM 0 HG11 VAL A 108 3.474 13.320 14.248 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.060 12.251 14.406 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.682 11.554 14.186 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.588 13.600 12.062 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.843 11.845 11.908 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.986 12.735 10.628 1.00 0.00 H new ATOM 1767 N GLY A 109 -0.228 11.102 11.665 1.00 0.00 N ATOM 1768 CA GLY A 109 -1.594 11.002 12.145 1.00 0.00 C ATOM 1769 C GLY A 109 -2.421 10.038 11.321 1.00 0.00 C ATOM 1770 O GLY A 109 -3.519 10.366 10.872 1.00 0.00 O ATOM 0 H GLY A 109 -0.135 11.271 10.663 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.589 10.676 13.185 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -2.058 11.988 12.122 1.00 0.00 H new ATOM 1774 N LEU A 110 -1.880 8.846 11.127 1.00 0.00 N ATOM 1775 CA LEU A 110 -2.549 7.805 10.354 1.00 0.00 C ATOM 1776 C LEU A 110 -3.869 7.407 11.012 1.00 0.00 C ATOM 1777 O LEU A 110 -3.918 7.152 12.215 1.00 0.00 O ATOM 1778 CB LEU A 110 -1.628 6.588 10.250 1.00 0.00 C ATOM 1779 CG LEU A 110 -1.846 5.677 9.043 1.00 0.00 C ATOM 1780 CD1 LEU A 110 -2.042 6.488 7.769 1.00 0.00 C ATOM 1781 CD2 LEU A 110 -0.665 4.732 8.900 1.00 0.00 C ATOM 0 H LEU A 110 -0.970 8.571 11.497 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.768 8.188 9.357 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.597 6.940 10.232 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.745 5.992 11.155 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.754 5.096 9.204 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.195 5.812 6.927 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.913 7.133 7.879 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.158 7.100 7.587 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.821 4.082 8.039 1.00 0.00 H new ATOM 0 HD22 LEU A 110 0.248 5.310 8.758 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.574 4.125 9.801 1.00 0.00 H new ATOM 1793 N ASN A 111 -4.942 7.372 10.221 1.00 0.00 N ATOM 1794 CA ASN A 111 -6.259 7.027 10.745 1.00 0.00 C ATOM 1795 C ASN A 111 -6.881 5.840 10.018 1.00 0.00 C ATOM 1796 O ASN A 111 -7.105 5.882 8.808 1.00 0.00 O ATOM 1797 CB ASN A 111 -7.186 8.238 10.649 1.00 0.00 C ATOM 1798 CG ASN A 111 -7.621 8.741 12.012 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -8.103 7.974 12.845 1.00 0.00 O ATOM 1800 ND2 ASN A 111 -7.454 10.039 12.246 1.00 0.00 N ATOM 0 H ASN A 111 -4.923 7.577 9.222 1.00 0.00 H new ATOM 0 HA ASN A 111 -6.129 6.737 11.788 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -6.678 9.040 10.114 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -8.067 7.973 10.064 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -7.730 10.435 13.145 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -7.050 10.639 11.527 1.00 0.00 H new ATOM 1807 N ALA A 112 -7.183 4.790 10.778 1.00 0.00 N ATOM 1808 CA ALA A 112 -7.809 3.596 10.227 1.00 0.00 C ATOM 1809 C ALA A 112 -9.276 3.860 9.881 1.00 0.00 C ATOM 1810 O ALA A 112 -9.908 3.080 9.168 1.00 0.00 O ATOM 1811 CB ALA A 112 -7.696 2.429 11.198 1.00 0.00 C ATOM 0 H ALA A 112 -7.002 4.744 11.781 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.281 3.334 9.310 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.170 1.548 10.765 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -6.644 2.217 11.391 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.192 2.685 12.134 1.00 0.00 H new ATOM 1817 N ASP A 113 -9.820 4.956 10.406 1.00 0.00 N ATOM 1818 CA ASP A 113 -11.215 5.310 10.160 1.00 0.00 C ATOM 1819 C ASP A 113 -11.408 5.817 8.733 1.00 0.00 C ATOM 1820 O ASP A 113 -12.399 5.489 8.080 1.00 0.00 O ATOM 1821 CB ASP A 113 -11.713 6.369 11.160 1.00 0.00 C ATOM 1822 CG ASP A 113 -10.619 6.938 12.046 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -9.942 6.148 12.737 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -10.441 8.174 12.049 1.00 0.00 O ATOM 0 H ASP A 113 -9.317 5.612 11.003 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.804 4.403 10.296 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.181 7.184 10.608 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.484 5.926 11.790 1.00 0.00 H new ATOM 1829 N ASP A 114 -10.462 6.618 8.253 1.00 0.00 N ATOM 1830 CA ASP A 114 -10.543 7.165 6.903 1.00 0.00 C ATOM 1831 C ASP A 114 -10.053 6.158 5.869 1.00 0.00 C ATOM 1832 O ASP A 114 -10.454 6.205 4.706 1.00 0.00 O ATOM 1833 CB ASP A 114 -9.733 8.454 6.799 1.00 0.00 C ATOM 1834 CG ASP A 114 -10.610 9.676 6.604 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -11.420 9.974 7.506 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -10.486 10.333 5.548 1.00 0.00 O ATOM 0 H ASP A 114 -9.634 6.902 8.776 1.00 0.00 H new ATOM 0 HA ASP A 114 -11.590 7.385 6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -9.137 8.579 7.703 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -9.035 8.375 5.965 1.00 0.00 H new ATOM 1841 N PHE A 115 -9.182 5.248 6.294 1.00 0.00 N ATOM 1842 CA PHE A 115 -8.644 4.237 5.393 1.00 0.00 C ATOM 1843 C PHE A 115 -9.527 2.987 5.399 1.00 0.00 C ATOM 1844 O PHE A 115 -10.373 2.823 6.277 1.00 0.00 O ATOM 1845 CB PHE A 115 -7.181 3.923 5.763 1.00 0.00 C ATOM 1846 CG PHE A 115 -6.933 2.594 6.412 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -7.755 2.123 7.417 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -5.850 1.826 6.022 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -7.505 0.911 8.020 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -5.593 0.616 6.622 1.00 0.00 C ATOM 1851 CZ PHE A 115 -6.420 0.158 7.623 1.00 0.00 C ATOM 0 H PHE A 115 -8.836 5.190 7.252 1.00 0.00 H new ATOM 0 HA PHE A 115 -8.648 4.623 4.374 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -6.579 3.979 4.856 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -6.822 4.704 6.433 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -8.603 2.712 7.733 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.199 2.181 5.237 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.157 0.551 8.802 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.744 0.026 6.309 1.00 0.00 H new ATOM 0 HZ PHE A 115 -6.219 -0.791 8.097 1.00 0.00 H new ATOM 1861 N PRO A 116 -9.349 2.093 4.414 1.00 0.00 N ATOM 1862 CA PRO A 116 -10.146 0.866 4.315 1.00 0.00 C ATOM 1863 C PRO A 116 -9.965 -0.044 5.528 1.00 0.00 C ATOM 1864 O PRO A 116 -8.840 -0.377 5.901 1.00 0.00 O ATOM 1865 CB PRO A 116 -9.610 0.183 3.050 1.00 0.00 C ATOM 1866 CG PRO A 116 -8.272 0.794 2.815 1.00 0.00 C ATOM 1867 CD PRO A 116 -8.370 2.205 3.321 1.00 0.00 C ATOM 0 HA PRO A 116 -11.214 1.082 4.276 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -9.532 -0.895 3.187 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -10.274 0.349 2.201 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -7.493 0.243 3.342 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -8.015 0.776 1.756 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -7.408 2.575 3.676 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -8.708 2.891 2.544 1.00 0.00 H new ATOM 1875 N PRO A 117 -11.075 -0.468 6.161 1.00 0.00 N ATOM 1876 CA PRO A 117 -11.025 -1.350 7.332 1.00 0.00 C ATOM 1877 C PRO A 117 -10.474 -2.730 6.989 1.00 0.00 C ATOM 1878 O PRO A 117 -10.106 -3.501 7.875 1.00 0.00 O ATOM 1879 CB PRO A 117 -12.488 -1.453 7.773 1.00 0.00 C ATOM 1880 CG PRO A 117 -13.278 -1.132 6.552 1.00 0.00 C ATOM 1881 CD PRO A 117 -12.461 -0.132 5.784 1.00 0.00 C ATOM 0 HA PRO A 117 -10.364 -0.960 8.106 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.720 -2.452 8.143 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -12.708 -0.755 8.581 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -13.459 -2.027 5.957 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -14.253 -0.721 6.814 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -12.619 -0.223 4.709 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -12.716 0.892 6.058 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.418 -3.037 5.696 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.912 -4.323 5.238 1.00 0.00 C ATOM 1891 C ALA A 118 -8.424 -4.471 5.530 1.00 0.00 C ATOM 1892 O ALA A 118 -7.890 -5.581 5.525 1.00 0.00 O ATOM 1893 CB ALA A 118 -10.179 -4.498 3.751 1.00 0.00 C ATOM 0 H ALA A 118 -10.717 -2.411 4.948 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.439 -5.104 5.786 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -9.795 -5.464 3.424 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.252 -4.453 3.566 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.681 -3.703 3.196 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.756 -3.352 5.779 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.329 -3.361 6.063 1.00 0.00 C ATOM 1901 C ASN A 119 -6.049 -2.929 7.504 1.00 0.00 C ATOM 1902 O ASN A 119 -4.905 -2.650 7.865 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.620 -2.420 5.089 1.00 0.00 C ATOM 1904 CG ASN A 119 -4.710 -3.158 4.128 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -3.647 -3.647 4.512 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -5.123 -3.241 2.868 1.00 0.00 N ATOM 0 H ASN A 119 -8.182 -2.425 5.790 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.954 -4.377 5.940 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -6.364 -1.861 4.522 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -5.035 -1.693 5.652 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -4.552 -3.725 2.175 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -6.011 -2.821 2.594 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.102 -2.858 8.319 1.00 0.00 N ATOM 1914 CA GLU A 120 -6.973 -2.440 9.714 1.00 0.00 C ATOM 1915 C GLU A 120 -5.984 -3.307 10.497 1.00 0.00 C ATOM 1916 O GLU A 120 -5.270 -2.800 11.350 1.00 0.00 O ATOM 1917 CB GLU A 120 -8.340 -2.454 10.401 1.00 0.00 C ATOM 1918 CG GLU A 120 -8.792 -1.085 10.883 1.00 0.00 C ATOM 1919 CD GLU A 120 -9.803 -1.167 12.009 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -10.597 -2.132 12.025 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -9.802 -0.267 12.876 1.00 0.00 O ATOM 0 H GLU A 120 -8.055 -3.085 8.036 1.00 0.00 H new ATOM 0 HA GLU A 120 -6.577 -1.424 9.706 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.082 -2.849 9.707 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.303 -3.136 11.251 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.924 -0.518 11.220 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -9.227 -0.536 10.048 1.00 0.00 H new ATOM 1928 N PRO A 121 -5.934 -4.623 10.250 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.032 -5.521 10.979 1.00 0.00 C ATOM 1930 C PRO A 121 -3.606 -4.987 11.153 1.00 0.00 C ATOM 1931 O PRO A 121 -3.042 -5.073 12.244 1.00 0.00 O ATOM 1932 CB PRO A 121 -5.018 -6.764 10.099 1.00 0.00 C ATOM 1933 CG PRO A 121 -6.383 -6.800 9.508 1.00 0.00 C ATOM 1934 CD PRO A 121 -6.764 -5.364 9.274 1.00 0.00 C ATOM 0 HA PRO A 121 -5.377 -5.675 12.001 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.250 -6.699 9.328 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -4.810 -7.663 10.680 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -6.391 -7.364 8.575 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.088 -7.287 10.181 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.553 -5.054 8.251 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.828 -5.198 9.444 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.017 -4.446 10.088 1.00 0.00 N ATOM 1943 CA VAL A 122 -1.653 -3.921 10.167 1.00 0.00 C ATOM 1944 C VAL A 122 -1.625 -2.537 10.805 1.00 0.00 C ATOM 1945 O VAL A 122 -0.909 -2.300 11.777 1.00 0.00 O ATOM 1946 CB VAL A 122 -0.990 -3.822 8.773 1.00 0.00 C ATOM 1947 CG1 VAL A 122 0.499 -4.117 8.868 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -1.658 -4.750 7.765 1.00 0.00 C ATOM 0 H VAL A 122 -3.455 -4.360 9.171 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.096 -4.626 10.784 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.122 -2.800 8.417 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.949 -4.043 7.878 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.971 -3.396 9.536 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.646 -5.124 9.259 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.165 -4.652 6.798 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -1.578 -5.781 8.111 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -2.710 -4.482 7.665 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.406 -1.626 10.235 1.00 0.00 N ATOM 1959 CA ILE A 123 -2.493 -0.251 10.705 1.00 0.00 C ATOM 1960 C ILE A 123 -3.054 -0.171 12.117 1.00 0.00 C ATOM 1961 O ILE A 123 -2.755 0.749 12.859 1.00 0.00 O ATOM 1962 CB ILE A 123 -3.365 0.589 9.749 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.684 0.693 8.378 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -3.635 1.969 10.333 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -2.160 2.076 8.055 1.00 0.00 C ATOM 0 H ILE A 123 -2.999 -1.823 9.429 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.480 0.152 10.722 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.327 0.092 9.622 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.857 -0.016 8.340 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.395 0.396 7.607 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.252 2.543 9.641 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.157 1.866 11.284 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.690 2.488 10.492 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.693 2.067 7.070 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.985 2.788 8.059 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.424 2.370 8.803 1.00 0.00 H new ATOM 1977 N ALA A 124 -3.851 -1.157 12.476 1.00 0.00 N ATOM 1978 CA ALA A 124 -4.437 -1.205 13.808 1.00 0.00 C ATOM 1979 C ALA A 124 -3.331 -1.114 14.853 1.00 0.00 C ATOM 1980 O ALA A 124 -3.435 -0.373 15.831 1.00 0.00 O ATOM 1981 CB ALA A 124 -5.247 -2.480 13.997 1.00 0.00 C ATOM 0 H ALA A 124 -4.110 -1.935 11.869 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.114 -0.359 13.927 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.675 -2.494 14.999 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -6.049 -2.514 13.259 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.598 -3.346 13.868 1.00 0.00 H new ATOM 1987 N LYS A 125 -2.290 -1.910 14.646 1.00 0.00 N ATOM 1988 CA LYS A 125 -1.174 -1.965 15.579 1.00 0.00 C ATOM 1989 C LYS A 125 -0.582 -0.579 15.817 1.00 0.00 C ATOM 1990 O LYS A 125 -0.450 -0.142 16.960 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.093 -2.913 15.054 1.00 0.00 C ATOM 1992 CG LYS A 125 -0.013 -4.225 15.819 1.00 0.00 C ATOM 1993 CD LYS A 125 1.110 -4.205 16.843 1.00 0.00 C ATOM 1994 CE LYS A 125 2.357 -4.896 16.316 1.00 0.00 C ATOM 1995 NZ LYS A 125 2.680 -4.477 14.924 1.00 0.00 N ATOM 0 H LYS A 125 -2.196 -2.527 13.839 1.00 0.00 H new ATOM 0 HA LYS A 125 -1.550 -2.341 16.530 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.287 -3.126 14.003 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.874 -2.412 15.105 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -0.962 -4.413 16.322 1.00 0.00 H new ATOM 0 HG3 LYS A 125 0.145 -5.046 15.120 1.00 0.00 H new ATOM 0 HD2 LYS A 125 1.347 -3.174 17.104 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.779 -4.697 17.757 1.00 0.00 H new ATOM 0 HE2 LYS A 125 3.200 -4.669 16.968 1.00 0.00 H new ATOM 0 HE3 LYS A 125 2.213 -5.976 16.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 3.621 -4.835 14.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 1.969 -4.864 14.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 2.676 -3.439 14.864 1.00 0.00 H new ATOM 2009 N LEU A 126 -0.211 0.102 14.742 1.00 0.00 N ATOM 2010 CA LEU A 126 0.385 1.438 14.843 1.00 0.00 C ATOM 2011 C LEU A 126 -0.670 2.515 15.077 1.00 0.00 C ATOM 2012 O LEU A 126 -0.488 3.410 15.898 1.00 0.00 O ATOM 2013 CB LEU A 126 1.178 1.758 13.575 1.00 0.00 C ATOM 2014 CG LEU A 126 2.148 2.935 13.697 1.00 0.00 C ATOM 2015 CD1 LEU A 126 3.564 2.439 13.945 1.00 0.00 C ATOM 2016 CD2 LEU A 126 2.096 3.802 12.448 1.00 0.00 C ATOM 0 H LEU A 126 -0.310 -0.244 13.787 1.00 0.00 H new ATOM 0 HA LEU A 126 1.054 1.433 15.703 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.741 0.871 13.284 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.475 1.968 12.769 1.00 0.00 H new ATOM 0 HG LEU A 126 1.844 3.542 14.550 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.239 3.291 14.029 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.591 1.863 14.870 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.879 1.807 13.114 1.00 0.00 H new ATOM 0 HD21 LEU A 126 2.792 4.634 12.553 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.372 3.205 11.579 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.086 4.189 12.316 1.00 0.00 H new ATOM 2028 N LYS A 127 -1.747 2.442 14.307 1.00 0.00 N ATOM 2029 CA LYS A 127 -2.826 3.426 14.379 1.00 0.00 C ATOM 2030 C LYS A 127 -3.266 3.636 15.812 1.00 0.00 C ATOM 2031 O LYS A 127 -3.526 4.762 16.236 1.00 0.00 O ATOM 2032 CB LYS A 127 -4.016 2.964 13.557 1.00 0.00 C ATOM 2033 CG LYS A 127 -5.264 3.806 13.761 1.00 0.00 C ATOM 2034 CD LYS A 127 -6.404 2.986 14.345 1.00 0.00 C ATOM 2035 CE LYS A 127 -7.248 3.810 15.304 1.00 0.00 C ATOM 2036 NZ LYS A 127 -7.794 2.982 16.415 1.00 0.00 N ATOM 0 H LYS A 127 -1.900 1.705 13.618 1.00 0.00 H new ATOM 0 HA LYS A 127 -2.448 4.367 13.979 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -3.746 2.981 12.501 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -4.242 1.928 13.811 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -5.037 4.639 14.426 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -5.574 4.234 12.808 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -7.032 2.608 13.538 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -6.000 2.119 14.867 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -6.644 4.618 15.716 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -8.070 4.273 14.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -8.363 3.581 17.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -8.391 2.226 16.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -7.009 2.561 16.952 1.00 0.00 H new ATOM 2050 N ARG A 128 -3.334 2.550 16.560 1.00 0.00 N ATOM 2051 CA ARG A 128 -3.725 2.628 17.957 1.00 0.00 C ATOM 2052 C ARG A 128 -2.693 3.453 18.727 1.00 0.00 C ATOM 2053 O ARG A 128 -2.911 3.822 19.881 1.00 0.00 O ATOM 2054 CB ARG A 128 -3.847 1.219 18.546 1.00 0.00 C ATOM 2055 CG ARG A 128 -3.845 1.173 20.068 1.00 0.00 C ATOM 2056 CD ARG A 128 -3.840 -0.258 20.584 1.00 0.00 C ATOM 2057 NE ARG A 128 -5.072 -0.587 21.296 1.00 0.00 N ATOM 2058 CZ ARG A 128 -5.312 -1.772 21.853 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -4.407 -2.742 21.782 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -6.458 -1.989 22.483 1.00 0.00 N ATOM 0 H ARG A 128 -3.125 1.609 16.227 1.00 0.00 H new ATOM 0 HA ARG A 128 -4.696 3.116 18.040 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -4.768 0.764 18.182 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -3.023 0.610 18.175 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -2.970 1.700 20.448 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -4.722 1.695 20.450 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -3.710 -0.945 19.747 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -2.988 -0.401 21.249 1.00 0.00 H new ATOM 0 HE ARG A 128 -5.790 0.133 21.371 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -3.523 -2.581 21.299 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -4.596 -3.648 22.211 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -7.156 -1.248 22.541 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -6.641 -2.897 22.910 1.00 0.00 H new ATOM 2074 N LEU A 129 -1.570 3.745 18.065 1.00 0.00 N ATOM 2075 CA LEU A 129 -0.495 4.535 18.663 1.00 0.00 C ATOM 2076 C LEU A 129 -0.211 4.093 20.097 1.00 0.00 C ATOM 2077 O LEU A 129 0.884 3.620 20.405 1.00 0.00 O ATOM 2078 CB LEU A 129 -0.852 6.025 18.635 1.00 0.00 C ATOM 2079 CG LEU A 129 -1.518 6.518 17.343 1.00 0.00 C ATOM 2080 CD1 LEU A 129 -2.933 7.003 17.623 1.00 0.00 C ATOM 2081 CD2 LEU A 129 -0.697 7.627 16.697 1.00 0.00 C ATOM 0 H LEU A 129 -1.383 3.443 17.109 1.00 0.00 H new ATOM 0 HA LEU A 129 0.407 4.371 18.073 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -1.518 6.237 19.471 1.00 0.00 H new ATOM 0 HB3 LEU A 129 0.058 6.602 18.798 1.00 0.00 H new ATOM 0 HG LEU A 129 -1.568 5.680 16.648 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -3.389 7.349 16.695 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -3.523 6.184 18.035 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -2.901 7.824 18.340 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.190 7.959 15.783 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -0.610 8.465 17.388 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.297 7.251 16.457 1.00 0.00 H new