USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1012 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 105 LYS NZ :NH3+ -125:sc= 1.22 (180deg=0) USER MOD Set 1.2: A 109 GLN : amide:sc= 1.03 K(o=2.2,f=-7.5!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0353 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -157:sc= 1.25 (180deg=0.722) USER MOD Single : A 13 CYS SG : rot 85:sc= 0.12 USER MOD Single : A 17 TYR OH : rot 159:sc= -0.0333 USER MOD Single : A 18 ASN : amide:sc= 0.0543 K(o=0.054,f=-1.2) USER MOD Single : A 25 SER OG : rot -120:sc= 0 USER MOD Single : A 31 THR OG1 : rot -68:sc= 1.16 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 58:sc= 2.04 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0117 USER MOD Single : A 44 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.31) USER MOD Single : A 48 TYR OH : rot 159:sc= 1.24 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HE2:sc= 0.762 K(o=0.76,f=-3.3!) USER MOD Single : A 53 GLN : amide:sc= -1.04 K(o=-1,f=-2.2) USER MOD Single : A 54 GLN : amide:sc= 0.695 K(o=0.69,f=-0.56) USER MOD Single : A 55 CYS SG : rot 69:sc= 0.493 USER MOD Single : A 56 THR OG1 : rot 102:sc= -0.989! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 35:sc= 0.496 USER MOD Single : A 75 LYS NZ :NH3+ 168:sc=-0.00695 (180deg=-0.16) USER MOD Single : A 77 SER OG : rot 157:sc= 1.24 USER MOD Single : A 78 LYS NZ :NH3+ -113:sc= -0.268 (180deg=-1.37) USER MOD Single : A 83 THR OG1 : rot 76:sc= 0.364 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.975 K(o=-0.98,f=-4.4!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 176:sc= 0.824 (180deg=0.71) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.1) USER MOD Single : A 113 LYS NZ :NH3+ -122:sc= 0.984 (180deg=-0.117) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 133 LYS NZ :NH3+ -175:sc=-0.00815 (180deg=-0.0534) USER MOD Single : A 134 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0194) USER MOD ----------------------------------------------------------------- ATOM 67 N ALA A 5 -0.234 -20.614 -0.477 1.00 0.00 N ATOM 68 CA ALA A 5 0.171 -21.544 0.564 1.00 0.00 C ATOM 69 C ALA A 5 1.623 -21.230 0.942 1.00 0.00 C ATOM 70 O ALA A 5 2.534 -22.038 0.737 1.00 0.00 O ATOM 71 CB ALA A 5 -0.041 -22.971 0.043 1.00 0.00 C ATOM 0 HA ALA A 5 -0.424 -21.448 1.472 1.00 0.00 H new ATOM 0 HB1 ALA A 5 0.257 -23.686 0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.094 -23.117 -0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.563 -23.125 -0.851 1.00 0.00 H new ATOM 77 N THR A 6 1.839 -20.025 1.455 1.00 0.00 N ATOM 78 CA THR A 6 3.139 -19.473 1.802 1.00 0.00 C ATOM 79 C THR A 6 2.947 -18.644 3.084 1.00 0.00 C ATOM 80 O THR A 6 1.819 -18.227 3.381 1.00 0.00 O ATOM 81 CB THR A 6 3.630 -18.658 0.585 1.00 0.00 C ATOM 82 OG1 THR A 6 3.362 -19.327 -0.642 1.00 0.00 O ATOM 83 CG2 THR A 6 5.128 -18.386 0.613 1.00 0.00 C ATOM 0 H THR A 6 1.075 -19.377 1.649 1.00 0.00 H new ATOM 0 HA THR A 6 3.903 -20.222 2.013 1.00 0.00 H new ATOM 0 HB THR A 6 3.082 -17.718 0.649 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.685 -18.781 -1.389 1.00 0.00 H new ATOM 0 HG21 THR A 6 5.410 -17.810 -0.268 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.379 -17.821 1.511 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.670 -19.332 0.617 1.00 0.00 H new ATOM 91 N LYS A 7 4.006 -18.392 3.859 1.00 0.00 N ATOM 92 CA LYS A 7 3.922 -17.693 5.143 1.00 0.00 C ATOM 93 C LYS A 7 4.972 -16.604 5.265 1.00 0.00 C ATOM 94 O LYS A 7 5.617 -16.233 4.290 1.00 0.00 O ATOM 95 CB LYS A 7 3.980 -18.720 6.300 1.00 0.00 C ATOM 96 CG LYS A 7 2.965 -18.379 7.406 1.00 0.00 C ATOM 97 CD LYS A 7 3.486 -18.661 8.817 1.00 0.00 C ATOM 98 CE LYS A 7 2.329 -18.449 9.800 1.00 0.00 C ATOM 99 NZ LYS A 7 2.761 -17.891 11.096 1.00 0.00 N ATOM 0 H LYS A 7 4.955 -18.671 3.609 1.00 0.00 H new ATOM 0 HA LYS A 7 2.964 -17.177 5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.776 -19.718 5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.985 -18.740 6.721 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.696 -17.325 7.330 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.053 -18.953 7.242 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.864 -19.681 8.887 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.316 -17.997 9.057 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.596 -17.779 9.350 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.827 -19.401 9.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.934 -17.771 11.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.439 -18.540 11.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.215 -16.968 10.943 1.00 0.00 H new ATOM 113 N ILE A 8 5.074 -16.040 6.461 1.00 0.00 N ATOM 114 CA ILE A 8 6.061 -15.033 6.812 1.00 0.00 C ATOM 115 C ILE A 8 6.694 -15.340 8.161 1.00 0.00 C ATOM 116 O ILE A 8 6.081 -15.994 9.012 1.00 0.00 O ATOM 117 CB ILE A 8 5.436 -13.618 6.860 1.00 0.00 C ATOM 118 CG1 ILE A 8 4.592 -13.269 8.108 1.00 0.00 C ATOM 119 CG2 ILE A 8 4.649 -13.305 5.590 1.00 0.00 C ATOM 120 CD1 ILE A 8 3.310 -14.073 8.340 1.00 0.00 C ATOM 0 H ILE A 8 4.454 -16.279 7.235 1.00 0.00 H new ATOM 0 HA ILE A 8 6.826 -15.055 6.036 1.00 0.00 H new ATOM 0 HB ILE A 8 6.312 -12.974 6.935 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.226 -13.386 8.987 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.322 -12.215 8.048 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.226 -12.303 5.662 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.314 -13.357 4.728 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.845 -14.031 5.472 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.820 -13.723 9.249 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.639 -13.940 7.492 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.557 -15.129 8.445 1.00 0.00 H new ATOM 132 N ASP A 9 7.927 -14.883 8.354 1.00 0.00 N ATOM 133 CA ASP A 9 8.631 -14.994 9.623 1.00 0.00 C ATOM 134 C ASP A 9 8.420 -13.600 10.182 1.00 0.00 C ATOM 135 O ASP A 9 9.200 -12.674 9.932 1.00 0.00 O ATOM 136 CB ASP A 9 10.112 -15.336 9.494 1.00 0.00 C ATOM 137 CG ASP A 9 10.835 -15.278 10.850 1.00 0.00 C ATOM 138 OD1 ASP A 9 10.307 -14.757 11.859 1.00 0.00 O ATOM 139 OD2 ASP A 9 11.994 -15.741 10.890 1.00 0.00 O ATOM 0 H ASP A 9 8.470 -14.420 7.625 1.00 0.00 H new ATOM 0 HA ASP A 9 8.263 -15.810 10.245 1.00 0.00 H new ATOM 0 HB2 ASP A 9 10.218 -16.334 9.069 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.586 -14.642 8.800 1.00 0.00 H new ATOM 144 N LYS A 10 7.274 -13.418 10.835 1.00 0.00 N ATOM 145 CA LYS A 10 6.897 -12.112 11.341 1.00 0.00 C ATOM 146 C LYS A 10 7.885 -11.576 12.363 1.00 0.00 C ATOM 147 O LYS A 10 7.947 -10.364 12.496 1.00 0.00 O ATOM 148 CB LYS A 10 5.452 -12.076 11.854 1.00 0.00 C ATOM 149 CG LYS A 10 5.201 -13.129 12.935 1.00 0.00 C ATOM 150 CD LYS A 10 3.818 -12.959 13.576 1.00 0.00 C ATOM 151 CE LYS A 10 3.738 -11.800 14.580 1.00 0.00 C ATOM 152 NZ LYS A 10 4.446 -12.087 15.848 1.00 0.00 N ATOM 0 H LYS A 10 6.597 -14.158 11.022 1.00 0.00 H new ATOM 0 HA LYS A 10 6.938 -11.434 10.489 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.234 -11.086 12.255 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.768 -12.241 11.022 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.281 -14.125 12.500 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.971 -13.054 13.703 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.081 -12.797 12.790 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.546 -13.885 14.082 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.162 -10.904 14.127 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.692 -11.584 14.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.057 -11.490 16.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.319 -13.089 16.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.460 -11.884 15.733 1.00 0.00 H new ATOM 166 N GLU A 11 8.657 -12.404 13.064 1.00 0.00 N ATOM 167 CA GLU A 11 9.601 -11.899 14.042 1.00 0.00 C ATOM 168 C GLU A 11 10.822 -11.341 13.319 1.00 0.00 C ATOM 169 O GLU A 11 11.175 -10.175 13.520 1.00 0.00 O ATOM 170 CB GLU A 11 9.955 -12.988 15.067 1.00 0.00 C ATOM 171 CG GLU A 11 8.776 -13.316 15.997 1.00 0.00 C ATOM 172 CD GLU A 11 8.237 -12.071 16.706 1.00 0.00 C ATOM 173 OE1 GLU A 11 8.998 -11.419 17.464 1.00 0.00 O ATOM 174 OE2 GLU A 11 7.065 -11.698 16.467 1.00 0.00 O ATOM 0 H GLU A 11 8.644 -13.420 12.970 1.00 0.00 H new ATOM 0 HA GLU A 11 9.153 -11.084 14.610 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.264 -13.892 14.542 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.806 -12.660 15.664 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.976 -13.778 15.418 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.094 -14.047 16.741 1.00 0.00 H new ATOM 181 N ALA A 12 11.464 -12.131 12.454 1.00 0.00 N ATOM 182 CA ALA A 12 12.651 -11.669 11.743 1.00 0.00 C ATOM 183 C ALA A 12 12.320 -10.491 10.832 1.00 0.00 C ATOM 184 O ALA A 12 13.136 -9.574 10.709 1.00 0.00 O ATOM 185 CB ALA A 12 13.279 -12.800 10.929 1.00 0.00 C ATOM 0 H ALA A 12 11.182 -13.086 12.233 1.00 0.00 H new ATOM 0 HA ALA A 12 13.372 -11.338 12.490 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.162 -12.428 10.409 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.567 -13.612 11.596 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.557 -13.168 10.200 1.00 0.00 H new ATOM 191 N CYS A 13 11.131 -10.493 10.213 1.00 0.00 N ATOM 192 CA CYS A 13 10.732 -9.388 9.361 1.00 0.00 C ATOM 193 C CYS A 13 10.320 -8.166 10.183 1.00 0.00 C ATOM 194 O CYS A 13 10.661 -7.044 9.798 1.00 0.00 O ATOM 195 CB CYS A 13 9.625 -9.809 8.393 1.00 0.00 C ATOM 196 SG CYS A 13 10.190 -11.156 7.312 1.00 0.00 S ATOM 0 H CYS A 13 10.443 -11.242 10.291 1.00 0.00 H new ATOM 0 HA CYS A 13 11.600 -9.101 8.767 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.748 -10.131 8.954 1.00 0.00 H new ATOM 0 HB3 CYS A 13 9.320 -8.955 7.788 1.00 0.00 H new ATOM 0 HG CYS A 13 10.027 -12.295 7.917 1.00 0.00 H new ATOM 202 N ARG A 14 9.621 -8.347 11.318 1.00 0.00 N ATOM 203 CA ARG A 14 9.284 -7.214 12.176 1.00 0.00 C ATOM 204 C ARG A 14 10.569 -6.546 12.643 1.00 0.00 C ATOM 205 O ARG A 14 10.544 -5.331 12.768 1.00 0.00 O ATOM 206 CB ARG A 14 8.393 -7.586 13.381 1.00 0.00 C ATOM 207 CG ARG A 14 8.019 -6.346 14.214 1.00 0.00 C ATOM 208 CD ARG A 14 7.322 -6.671 15.538 1.00 0.00 C ATOM 209 NE ARG A 14 7.115 -5.435 16.319 1.00 0.00 N ATOM 210 CZ ARG A 14 8.072 -4.692 16.897 1.00 0.00 C ATOM 211 NH1 ARG A 14 9.321 -5.137 17.027 1.00 0.00 N ATOM 212 NH2 ARG A 14 7.783 -3.469 17.325 1.00 0.00 N ATOM 0 H ARG A 14 9.287 -9.251 11.652 1.00 0.00 H new ATOM 0 HA ARG A 14 8.689 -6.524 11.579 1.00 0.00 H new ATOM 0 HB2 ARG A 14 7.485 -8.074 13.026 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.915 -8.305 14.012 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.924 -5.775 14.422 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.367 -5.705 13.620 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.364 -7.153 15.345 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.924 -7.376 16.111 1.00 0.00 H new ATOM 0 HE ARG A 14 6.153 -5.115 16.430 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.570 -6.064 16.683 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.028 -4.550 17.471 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.839 -3.100 17.214 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.505 -2.899 17.765 1.00 0.00 H new ATOM 226 N ALA A 15 11.665 -7.273 12.885 1.00 0.00 N ATOM 227 CA ALA A 15 12.887 -6.664 13.384 1.00 0.00 C ATOM 228 C ALA A 15 13.345 -5.539 12.452 1.00 0.00 C ATOM 229 O ALA A 15 13.432 -4.395 12.889 1.00 0.00 O ATOM 230 CB ALA A 15 13.964 -7.723 13.596 1.00 0.00 C ATOM 0 H ALA A 15 11.724 -8.281 12.742 1.00 0.00 H new ATOM 0 HA ALA A 15 12.690 -6.212 14.356 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.872 -7.249 13.970 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.614 -8.458 14.321 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.177 -8.220 12.649 1.00 0.00 H new ATOM 236 N ALA A 16 13.559 -5.825 11.164 1.00 0.00 N ATOM 237 CA ALA A 16 13.977 -4.794 10.216 1.00 0.00 C ATOM 238 C ALA A 16 12.939 -3.686 10.093 1.00 0.00 C ATOM 239 O ALA A 16 13.300 -2.510 10.055 1.00 0.00 O ATOM 240 CB ALA A 16 14.161 -5.393 8.825 1.00 0.00 C ATOM 0 H ALA A 16 13.450 -6.755 10.759 1.00 0.00 H new ATOM 0 HA ALA A 16 14.913 -4.384 10.596 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.472 -4.612 8.131 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.924 -6.171 8.862 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.219 -5.824 8.487 1.00 0.00 H new ATOM 246 N TYR A 17 11.660 -4.066 10.008 1.00 0.00 N ATOM 247 CA TYR A 17 10.575 -3.104 9.945 1.00 0.00 C ATOM 248 C TYR A 17 10.657 -2.156 11.143 1.00 0.00 C ATOM 249 O TYR A 17 10.522 -0.957 10.963 1.00 0.00 O ATOM 250 CB TYR A 17 9.224 -3.832 9.865 1.00 0.00 C ATOM 251 CG TYR A 17 8.029 -2.938 10.131 1.00 0.00 C ATOM 252 CD1 TYR A 17 7.571 -2.767 11.452 1.00 0.00 C ATOM 253 CD2 TYR A 17 7.419 -2.227 9.080 1.00 0.00 C ATOM 254 CE1 TYR A 17 6.535 -1.860 11.729 1.00 0.00 C ATOM 255 CE2 TYR A 17 6.386 -1.313 9.350 1.00 0.00 C ATOM 256 CZ TYR A 17 5.957 -1.109 10.681 1.00 0.00 C ATOM 257 OH TYR A 17 5.002 -0.179 10.949 1.00 0.00 O ATOM 0 H TYR A 17 11.358 -5.040 9.982 1.00 0.00 H new ATOM 0 HA TYR A 17 10.666 -2.501 9.042 1.00 0.00 H new ATOM 0 HB2 TYR A 17 9.120 -4.277 8.875 1.00 0.00 H new ATOM 0 HB3 TYR A 17 9.220 -4.651 10.584 1.00 0.00 H new ATOM 0 HD1 TYR A 17 8.018 -3.335 12.254 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.746 -2.384 8.063 1.00 0.00 H new ATOM 0 HE1 TYR A 17 6.181 -1.737 12.742 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.921 -0.768 8.542 1.00 0.00 H new ATOM 0 HH TYR A 17 4.953 0.462 10.210 1.00 0.00 H new ATOM 267 N ASN A 18 10.901 -2.673 12.350 1.00 0.00 N ATOM 268 CA ASN A 18 10.932 -1.922 13.597 1.00 0.00 C ATOM 269 C ASN A 18 11.989 -0.829 13.552 1.00 0.00 C ATOM 270 O ASN A 18 11.710 0.257 14.045 1.00 0.00 O ATOM 271 CB ASN A 18 11.225 -2.850 14.785 1.00 0.00 C ATOM 272 CG ASN A 18 11.074 -2.151 16.118 1.00 0.00 C ATOM 273 OD1 ASN A 18 9.980 -1.788 16.548 1.00 0.00 O ATOM 274 ND2 ASN A 18 12.165 -2.088 16.840 1.00 0.00 N ATOM 0 H ASN A 18 11.089 -3.666 12.485 1.00 0.00 H new ATOM 0 HA ASN A 18 9.950 -1.466 13.725 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.550 -3.705 14.749 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.239 -3.240 14.696 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.125 -1.728 17.794 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.054 -2.399 16.449 1.00 0.00 H new ATOM 281 N LEU A 19 13.178 -1.121 13.007 1.00 0.00 N ATOM 282 CA LEU A 19 14.229 -0.140 12.825 1.00 0.00 C ATOM 283 C LEU A 19 13.759 0.950 11.883 1.00 0.00 C ATOM 284 O LEU A 19 13.672 2.095 12.287 1.00 0.00 O ATOM 285 CB LEU A 19 15.523 -0.779 12.277 1.00 0.00 C ATOM 286 CG LEU A 19 16.457 -1.477 13.279 1.00 0.00 C ATOM 287 CD1 LEU A 19 15.822 -2.528 14.192 1.00 0.00 C ATOM 288 CD2 LEU A 19 17.584 -2.152 12.487 1.00 0.00 C ATOM 0 H LEU A 19 13.428 -2.055 12.681 1.00 0.00 H new ATOM 0 HA LEU A 19 14.455 0.287 13.802 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.241 -1.508 11.518 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.094 0.001 11.773 1.00 0.00 H new ATOM 0 HG LEU A 19 16.795 -0.687 13.950 1.00 0.00 H new ATOM 0 HD11 LEU A 19 16.583 -2.946 14.851 1.00 0.00 H new ATOM 0 HD12 LEU A 19 15.039 -2.064 14.791 1.00 0.00 H new ATOM 0 HD13 LEU A 19 15.391 -3.324 13.585 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.262 -2.655 13.176 1.00 0.00 H new ATOM 0 HD22 LEU A 19 17.158 -2.882 11.799 1.00 0.00 H new ATOM 0 HD23 LEU A 19 18.134 -1.399 11.923 1.00 0.00 H new ATOM 300 N VAL A 20 13.426 0.590 10.647 1.00 0.00 N ATOM 301 CA VAL A 20 13.041 1.549 9.617 1.00 0.00 C ATOM 302 C VAL A 20 11.812 2.372 10.041 1.00 0.00 C ATOM 303 O VAL A 20 11.695 3.531 9.660 1.00 0.00 O ATOM 304 CB VAL A 20 12.863 0.755 8.309 1.00 0.00 C ATOM 305 CG1 VAL A 20 12.303 1.546 7.130 1.00 0.00 C ATOM 306 CG2 VAL A 20 14.212 0.200 7.845 1.00 0.00 C ATOM 0 H VAL A 20 13.416 -0.380 10.330 1.00 0.00 H new ATOM 0 HA VAL A 20 13.811 2.304 9.460 1.00 0.00 H new ATOM 0 HB VAL A 20 12.139 -0.017 8.569 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.218 0.893 6.261 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.319 1.936 7.388 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.972 2.375 6.897 1.00 0.00 H new ATOM 0 HG21 VAL A 20 14.076 -0.360 6.920 1.00 0.00 H new ATOM 0 HG22 VAL A 20 14.904 1.024 7.672 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.617 -0.460 8.612 1.00 0.00 H new ATOM 316 N ARG A 21 10.902 1.792 10.831 1.00 0.00 N ATOM 317 CA ARG A 21 9.721 2.441 11.397 1.00 0.00 C ATOM 318 C ARG A 21 10.123 3.541 12.367 1.00 0.00 C ATOM 319 O ARG A 21 9.367 4.507 12.470 1.00 0.00 O ATOM 320 CB ARG A 21 8.893 1.361 12.129 1.00 0.00 C ATOM 321 CG ARG A 21 7.554 1.752 12.772 1.00 0.00 C ATOM 322 CD ARG A 21 7.606 2.557 14.082 1.00 0.00 C ATOM 323 NE ARG A 21 6.405 2.296 14.893 1.00 0.00 N ATOM 324 CZ ARG A 21 5.180 2.799 14.695 1.00 0.00 C ATOM 325 NH1 ARG A 21 4.970 3.768 13.814 1.00 0.00 N ATOM 326 NH2 ARG A 21 4.161 2.290 15.376 1.00 0.00 N ATOM 0 H ARG A 21 10.975 0.812 11.104 1.00 0.00 H new ATOM 0 HA ARG A 21 9.133 2.901 10.603 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.693 0.561 11.416 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.523 0.940 12.913 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.987 2.331 12.043 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.991 0.838 12.961 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.499 2.288 14.646 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.678 3.622 13.859 1.00 0.00 H new ATOM 0 HE ARG A 21 6.518 1.667 15.688 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.749 4.143 13.273 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.029 4.138 13.677 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.318 1.529 16.037 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.220 2.660 15.239 1.00 0.00 H new ATOM 340 N ASP A 22 11.189 3.342 13.143 1.00 0.00 N ATOM 341 CA ASP A 22 11.608 4.290 14.161 1.00 0.00 C ATOM 342 C ASP A 22 12.414 5.414 13.516 1.00 0.00 C ATOM 343 O ASP A 22 13.451 5.174 12.899 1.00 0.00 O ATOM 344 CB ASP A 22 12.458 3.551 15.208 1.00 0.00 C ATOM 345 CG ASP A 22 13.120 4.505 16.203 1.00 0.00 C ATOM 346 OD1 ASP A 22 12.510 5.556 16.505 1.00 0.00 O ATOM 347 OD2 ASP A 22 14.238 4.181 16.657 1.00 0.00 O ATOM 0 H ASP A 22 11.783 2.516 13.079 1.00 0.00 H new ATOM 0 HA ASP A 22 10.736 4.726 14.648 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.829 2.845 15.750 1.00 0.00 H new ATOM 0 HB3 ASP A 22 13.227 2.968 14.701 1.00 0.00 H new ATOM 352 N ASP A 23 11.973 6.659 13.704 1.00 0.00 N ATOM 353 CA ASP A 23 12.688 7.833 13.232 1.00 0.00 C ATOM 354 C ASP A 23 14.039 8.023 13.921 1.00 0.00 C ATOM 355 O ASP A 23 14.875 8.758 13.389 1.00 0.00 O ATOM 356 CB ASP A 23 11.843 9.116 13.341 1.00 0.00 C ATOM 357 CG ASP A 23 10.841 9.371 12.206 1.00 0.00 C ATOM 358 OD1 ASP A 23 10.125 8.469 11.720 1.00 0.00 O ATOM 359 OD2 ASP A 23 10.895 10.509 11.684 1.00 0.00 O ATOM 0 H ASP A 23 11.104 6.876 14.192 1.00 0.00 H new ATOM 0 HA ASP A 23 12.883 7.646 12.176 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.293 9.084 14.282 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.521 9.968 13.397 1.00 0.00 H new ATOM 364 N GLY A 24 14.260 7.378 15.070 1.00 0.00 N ATOM 365 CA GLY A 24 15.515 7.397 15.802 1.00 0.00 C ATOM 366 C GLY A 24 16.539 6.399 15.261 1.00 0.00 C ATOM 367 O GLY A 24 17.709 6.480 15.648 1.00 0.00 O ATOM 0 H GLY A 24 13.543 6.812 15.525 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.938 8.401 15.761 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.320 7.176 16.851 1.00 0.00 H new ATOM 371 N SER A 25 16.150 5.461 14.390 1.00 0.00 N ATOM 372 CA SER A 25 17.082 4.468 13.890 1.00 0.00 C ATOM 373 C SER A 25 17.923 5.090 12.776 1.00 0.00 C ATOM 374 O SER A 25 17.421 5.799 11.903 1.00 0.00 O ATOM 375 CB SER A 25 16.330 3.233 13.388 1.00 0.00 C ATOM 376 OG SER A 25 17.213 2.118 13.369 1.00 0.00 O ATOM 0 H SER A 25 15.202 5.376 14.024 1.00 0.00 H new ATOM 0 HA SER A 25 17.742 4.146 14.696 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.478 3.025 14.035 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.935 3.415 12.389 1.00 0.00 H new ATOM 0 HG SER A 25 17.282 1.771 12.455 1.00 0.00 H new ATOM 382 N ALA A 26 19.227 4.798 12.788 1.00 0.00 N ATOM 383 CA ALA A 26 20.128 5.248 11.736 1.00 0.00 C ATOM 384 C ALA A 26 19.925 4.440 10.447 1.00 0.00 C ATOM 385 O ALA A 26 20.384 4.862 9.391 1.00 0.00 O ATOM 386 CB ALA A 26 21.581 5.125 12.210 1.00 0.00 C ATOM 0 H ALA A 26 19.678 4.250 13.520 1.00 0.00 H new ATOM 0 HA ALA A 26 19.904 6.292 11.517 1.00 0.00 H new ATOM 0 HB1 ALA A 26 22.251 5.463 11.420 1.00 0.00 H new ATOM 0 HB2 ALA A 26 21.727 5.740 13.098 1.00 0.00 H new ATOM 0 HB3 ALA A 26 21.799 4.084 12.450 1.00 0.00 H new ATOM 392 N VAL A 27 19.303 3.260 10.516 1.00 0.00 N ATOM 393 CA VAL A 27 18.992 2.455 9.346 1.00 0.00 C ATOM 394 C VAL A 27 17.700 3.016 8.766 1.00 0.00 C ATOM 395 O VAL A 27 16.682 3.051 9.453 1.00 0.00 O ATOM 396 CB VAL A 27 18.865 0.978 9.773 1.00 0.00 C ATOM 397 CG1 VAL A 27 18.118 0.113 8.752 1.00 0.00 C ATOM 398 CG2 VAL A 27 20.265 0.381 9.994 1.00 0.00 C ATOM 0 H VAL A 27 19.002 2.839 11.395 1.00 0.00 H new ATOM 0 HA VAL A 27 19.771 2.493 8.584 1.00 0.00 H new ATOM 0 HB VAL A 27 18.283 0.972 10.694 1.00 0.00 H new ATOM 0 HG11 VAL A 27 18.065 -0.914 9.115 1.00 0.00 H new ATOM 0 HG12 VAL A 27 17.109 0.502 8.614 1.00 0.00 H new ATOM 0 HG13 VAL A 27 18.648 0.134 7.800 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.172 -0.662 10.296 1.00 0.00 H new ATOM 0 HG22 VAL A 27 20.837 0.442 9.068 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.780 0.940 10.775 1.00 0.00 H new ATOM 408 N ILE A 28 17.734 3.402 7.489 1.00 0.00 N ATOM 409 CA ILE A 28 16.584 3.977 6.807 1.00 0.00 C ATOM 410 C ILE A 28 16.089 3.042 5.701 1.00 0.00 C ATOM 411 O ILE A 28 14.920 3.129 5.329 1.00 0.00 O ATOM 412 CB ILE A 28 16.881 5.415 6.315 1.00 0.00 C ATOM 413 CG1 ILE A 28 17.669 5.465 4.986 1.00 0.00 C ATOM 414 CG2 ILE A 28 17.583 6.260 7.395 1.00 0.00 C ATOM 415 CD1 ILE A 28 16.722 5.737 3.812 1.00 0.00 C ATOM 0 H ILE A 28 18.564 3.322 6.902 1.00 0.00 H new ATOM 0 HA ILE A 28 15.764 4.073 7.519 1.00 0.00 H new ATOM 0 HB ILE A 28 15.904 5.854 6.114 1.00 0.00 H new ATOM 0 HG12 ILE A 28 18.429 6.244 5.036 1.00 0.00 H new ATOM 0 HG13 ILE A 28 18.190 4.521 4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 28 17.772 7.261 7.008 1.00 0.00 H new ATOM 0 HG22 ILE A 28 16.945 6.327 8.276 1.00 0.00 H new ATOM 0 HG23 ILE A 28 18.529 5.791 7.666 1.00 0.00 H new ATOM 0 HD11 ILE A 28 17.293 5.769 2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 28 15.978 4.943 3.753 1.00 0.00 H new ATOM 0 HD13 ILE A 28 16.221 6.693 3.963 1.00 0.00 H new ATOM 427 N TRP A 29 16.945 2.156 5.172 1.00 0.00 N ATOM 428 CA TRP A 29 16.580 1.203 4.137 1.00 0.00 C ATOM 429 C TRP A 29 17.026 -0.191 4.560 1.00 0.00 C ATOM 430 O TRP A 29 18.137 -0.371 5.059 1.00 0.00 O ATOM 431 CB TRP A 29 17.168 1.615 2.769 1.00 0.00 C ATOM 432 CG TRP A 29 18.646 1.506 2.561 1.00 0.00 C ATOM 433 CD1 TRP A 29 19.528 2.534 2.562 1.00 0.00 C ATOM 434 CD2 TRP A 29 19.419 0.305 2.252 1.00 0.00 C ATOM 435 NE1 TRP A 29 20.793 2.039 2.317 1.00 0.00 N ATOM 436 CE2 TRP A 29 20.792 0.669 2.170 1.00 0.00 C ATOM 437 CE3 TRP A 29 19.106 -1.061 2.055 1.00 0.00 C ATOM 438 CZ2 TRP A 29 21.809 -0.281 1.996 1.00 0.00 C ATOM 439 CZ3 TRP A 29 20.117 -2.021 1.862 1.00 0.00 C ATOM 440 CH2 TRP A 29 21.466 -1.635 1.845 1.00 0.00 C ATOM 0 H TRP A 29 17.921 2.088 5.461 1.00 0.00 H new ATOM 0 HA TRP A 29 15.497 1.194 4.015 1.00 0.00 H new ATOM 0 HB2 TRP A 29 16.681 1.010 2.004 1.00 0.00 H new ATOM 0 HB3 TRP A 29 16.884 2.651 2.585 1.00 0.00 H new ATOM 0 HD1 TRP A 29 19.281 3.572 2.728 1.00 0.00 H new ATOM 0 HE1 TRP A 29 21.630 2.619 2.252 1.00 0.00 H new ATOM 0 HE3 TRP A 29 18.072 -1.373 2.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 22.845 0.025 1.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 19.853 -3.059 1.726 1.00 0.00 H new ATOM 0 HH2 TRP A 29 22.239 -2.378 1.716 1.00 0.00 H new ATOM 451 N VAL A 30 16.152 -1.177 4.376 1.00 0.00 N ATOM 452 CA VAL A 30 16.430 -2.596 4.629 1.00 0.00 C ATOM 453 C VAL A 30 15.858 -3.379 3.445 1.00 0.00 C ATOM 454 O VAL A 30 15.080 -2.847 2.650 1.00 0.00 O ATOM 455 CB VAL A 30 15.862 -3.088 5.988 1.00 0.00 C ATOM 456 CG1 VAL A 30 16.289 -4.539 6.302 1.00 0.00 C ATOM 457 CG2 VAL A 30 16.278 -2.251 7.205 1.00 0.00 C ATOM 0 H VAL A 30 15.204 -1.011 4.038 1.00 0.00 H new ATOM 0 HA VAL A 30 17.505 -2.756 4.711 1.00 0.00 H new ATOM 0 HB VAL A 30 14.785 -2.997 5.845 1.00 0.00 H new ATOM 0 HG11 VAL A 30 15.870 -4.842 7.261 1.00 0.00 H new ATOM 0 HG12 VAL A 30 15.923 -5.204 5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 30 17.377 -4.597 6.347 1.00 0.00 H new ATOM 0 HG21 VAL A 30 15.832 -2.673 8.106 1.00 0.00 H new ATOM 0 HG22 VAL A 30 17.364 -2.260 7.299 1.00 0.00 H new ATOM 0 HG23 VAL A 30 15.934 -1.225 7.076 1.00 0.00 H new ATOM 467 N THR A 31 16.229 -4.648 3.313 1.00 0.00 N ATOM 468 CA THR A 31 15.709 -5.542 2.297 1.00 0.00 C ATOM 469 C THR A 31 15.105 -6.779 2.958 1.00 0.00 C ATOM 470 O THR A 31 15.365 -7.059 4.131 1.00 0.00 O ATOM 471 CB THR A 31 16.798 -5.840 1.249 1.00 0.00 C ATOM 472 OG1 THR A 31 17.957 -6.390 1.838 1.00 0.00 O ATOM 473 CG2 THR A 31 17.226 -4.585 0.484 1.00 0.00 C ATOM 0 H THR A 31 16.915 -5.089 3.926 1.00 0.00 H new ATOM 0 HA THR A 31 14.895 -5.072 1.746 1.00 0.00 H new ATOM 0 HB THR A 31 16.346 -6.556 0.563 1.00 0.00 H new ATOM 0 HG1 THR A 31 18.394 -5.712 2.395 1.00 0.00 H new ATOM 0 HG21 THR A 31 17.995 -4.847 -0.243 1.00 0.00 H new ATOM 0 HG22 THR A 31 16.365 -4.164 -0.035 1.00 0.00 H new ATOM 0 HG23 THR A 31 17.623 -3.850 1.184 1.00 0.00 H new ATOM 481 N PHE A 32 14.267 -7.503 2.220 1.00 0.00 N ATOM 482 CA PHE A 32 13.676 -8.756 2.652 1.00 0.00 C ATOM 483 C PHE A 32 13.973 -9.730 1.526 1.00 0.00 C ATOM 484 O PHE A 32 13.641 -9.465 0.366 1.00 0.00 O ATOM 485 CB PHE A 32 12.159 -8.643 2.894 1.00 0.00 C ATOM 486 CG PHE A 32 11.746 -7.866 4.132 1.00 0.00 C ATOM 487 CD1 PHE A 32 12.244 -8.226 5.395 1.00 0.00 C ATOM 488 CD2 PHE A 32 10.849 -6.788 4.038 1.00 0.00 C ATOM 489 CE1 PHE A 32 11.943 -7.451 6.525 1.00 0.00 C ATOM 490 CE2 PHE A 32 10.533 -6.017 5.170 1.00 0.00 C ATOM 491 CZ PHE A 32 11.095 -6.337 6.416 1.00 0.00 C ATOM 0 H PHE A 32 13.976 -7.223 1.283 1.00 0.00 H new ATOM 0 HA PHE A 32 14.090 -9.076 3.608 1.00 0.00 H new ATOM 0 HB2 PHE A 32 11.705 -8.171 2.023 1.00 0.00 H new ATOM 0 HB3 PHE A 32 11.745 -9.649 2.964 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.863 -9.105 5.497 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.398 -6.550 3.086 1.00 0.00 H new ATOM 0 HE1 PHE A 32 12.366 -7.713 7.484 1.00 0.00 H new ATOM 0 HE2 PHE A 32 9.858 -5.179 5.081 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.877 -5.732 7.283 1.00 0.00 H new ATOM 501 N LYS A 33 14.627 -10.836 1.859 1.00 0.00 N ATOM 502 CA LYS A 33 14.962 -11.897 0.933 1.00 0.00 C ATOM 503 C LYS A 33 13.856 -12.936 1.054 1.00 0.00 C ATOM 504 O LYS A 33 12.963 -12.838 1.897 1.00 0.00 O ATOM 505 CB LYS A 33 16.331 -12.495 1.305 1.00 0.00 C ATOM 506 CG LYS A 33 17.497 -11.494 1.261 1.00 0.00 C ATOM 507 CD LYS A 33 18.413 -11.691 0.048 1.00 0.00 C ATOM 508 CE LYS A 33 19.295 -12.925 0.273 1.00 0.00 C ATOM 509 NZ LYS A 33 20.350 -13.037 -0.745 1.00 0.00 N ATOM 0 H LYS A 33 14.946 -11.019 2.810 1.00 0.00 H new ATOM 0 HA LYS A 33 15.035 -11.536 -0.093 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.269 -12.917 2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.550 -13.319 0.626 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.097 -10.480 1.246 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.086 -11.591 2.173 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.817 -11.816 -0.856 1.00 0.00 H new ATOM 0 HD3 LYS A 33 19.034 -10.808 -0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.749 -12.871 1.262 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.676 -13.822 0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.924 -13.884 -0.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.916 -13.114 -1.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 20.956 -12.193 -0.711 1.00 0.00 H new ATOM 523 N TYR A 34 13.928 -13.966 0.226 1.00 0.00 N ATOM 524 CA TYR A 34 12.952 -15.036 0.217 1.00 0.00 C ATOM 525 C TYR A 34 13.698 -16.336 0.458 1.00 0.00 C ATOM 526 O TYR A 34 14.791 -16.519 -0.086 1.00 0.00 O ATOM 527 CB TYR A 34 12.256 -15.045 -1.149 1.00 0.00 C ATOM 528 CG TYR A 34 11.193 -13.980 -1.315 1.00 0.00 C ATOM 529 CD1 TYR A 34 11.517 -12.608 -1.339 1.00 0.00 C ATOM 530 CD2 TYR A 34 9.849 -14.375 -1.386 1.00 0.00 C ATOM 531 CE1 TYR A 34 10.500 -11.639 -1.356 1.00 0.00 C ATOM 532 CE2 TYR A 34 8.833 -13.416 -1.418 1.00 0.00 C ATOM 533 CZ TYR A 34 9.146 -12.040 -1.392 1.00 0.00 C ATOM 534 OH TYR A 34 8.148 -11.117 -1.370 1.00 0.00 O ATOM 0 H TYR A 34 14.672 -14.081 -0.462 1.00 0.00 H new ATOM 0 HA TYR A 34 12.195 -14.905 0.990 1.00 0.00 H new ATOM 0 HB2 TYR A 34 13.008 -14.915 -1.927 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.801 -16.023 -1.305 1.00 0.00 H new ATOM 0 HD1 TYR A 34 12.552 -12.300 -1.344 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.598 -15.425 -1.416 1.00 0.00 H new ATOM 0 HE1 TYR A 34 10.753 -10.589 -1.342 1.00 0.00 H new ATOM 0 HE2 TYR A 34 7.801 -13.730 -1.463 1.00 0.00 H new ATOM 0 HH TYR A 34 8.257 -10.500 -2.123 1.00 0.00 H new ATOM 544 N ASP A 35 13.118 -17.235 1.246 1.00 0.00 N ATOM 545 CA ASP A 35 13.652 -18.559 1.570 1.00 0.00 C ATOM 546 C ASP A 35 12.470 -19.523 1.620 1.00 0.00 C ATOM 547 O ASP A 35 11.388 -19.105 2.030 1.00 0.00 O ATOM 548 CB ASP A 35 14.339 -18.501 2.938 1.00 0.00 C ATOM 549 CG ASP A 35 14.948 -19.841 3.339 1.00 0.00 C ATOM 550 OD1 ASP A 35 14.214 -20.696 3.882 1.00 0.00 O ATOM 551 OD2 ASP A 35 16.173 -20.021 3.144 1.00 0.00 O ATOM 0 H ASP A 35 12.222 -17.055 1.698 1.00 0.00 H new ATOM 0 HA ASP A 35 14.380 -18.886 0.828 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.120 -17.741 2.917 1.00 0.00 H new ATOM 0 HB3 ASP A 35 13.615 -18.193 3.693 1.00 0.00 H new ATOM 556 N GLY A 36 12.636 -20.768 1.171 1.00 0.00 N ATOM 557 CA GLY A 36 11.611 -21.806 1.103 1.00 0.00 C ATOM 558 C GLY A 36 10.227 -21.274 0.735 1.00 0.00 C ATOM 559 O GLY A 36 9.987 -20.895 -0.416 1.00 0.00 O ATOM 0 H GLY A 36 13.539 -21.095 0.827 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.911 -22.554 0.369 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.553 -22.311 2.067 1.00 0.00 H new ATOM 563 N SER A 37 9.335 -21.185 1.722 1.00 0.00 N ATOM 564 CA SER A 37 7.974 -20.676 1.594 1.00 0.00 C ATOM 565 C SER A 37 7.709 -19.540 2.593 1.00 0.00 C ATOM 566 O SER A 37 6.599 -19.416 3.112 1.00 0.00 O ATOM 567 CB SER A 37 6.986 -21.844 1.714 1.00 0.00 C ATOM 568 OG SER A 37 7.234 -22.608 2.880 1.00 0.00 O ATOM 0 H SER A 37 9.554 -21.479 2.674 1.00 0.00 H new ATOM 0 HA SER A 37 7.833 -20.229 0.610 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.966 -21.460 1.738 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.065 -22.483 0.834 1.00 0.00 H new ATOM 0 HG SER A 37 6.589 -23.344 2.932 1.00 0.00 H new ATOM 574 N THR A 38 8.722 -18.728 2.901 1.00 0.00 N ATOM 575 CA THR A 38 8.586 -17.578 3.773 1.00 0.00 C ATOM 576 C THR A 38 9.442 -16.403 3.301 1.00 0.00 C ATOM 577 O THR A 38 10.155 -16.474 2.291 1.00 0.00 O ATOM 578 CB THR A 38 8.805 -18.043 5.221 1.00 0.00 C ATOM 579 OG1 THR A 38 8.255 -17.142 6.152 1.00 0.00 O ATOM 580 CG2 THR A 38 10.270 -18.259 5.595 1.00 0.00 C ATOM 0 H THR A 38 9.668 -18.859 2.543 1.00 0.00 H new ATOM 0 HA THR A 38 7.578 -17.164 3.732 1.00 0.00 H new ATOM 0 HB THR A 38 8.294 -19.005 5.264 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.413 -17.473 7.061 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.336 -18.586 6.633 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.703 -19.021 4.946 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.818 -17.325 5.473 1.00 0.00 H new ATOM 588 N ILE A 39 9.293 -15.291 4.011 1.00 0.00 N ATOM 589 CA ILE A 39 10.026 -14.049 3.820 1.00 0.00 C ATOM 590 C ILE A 39 11.081 -13.994 4.928 1.00 0.00 C ATOM 591 O ILE A 39 10.780 -14.332 6.079 1.00 0.00 O ATOM 592 CB ILE A 39 9.063 -12.837 3.890 1.00 0.00 C ATOM 593 CG1 ILE A 39 7.733 -13.002 3.116 1.00 0.00 C ATOM 594 CG2 ILE A 39 9.786 -11.564 3.421 1.00 0.00 C ATOM 595 CD1 ILE A 39 7.869 -13.357 1.635 1.00 0.00 C ATOM 0 H ILE A 39 8.621 -15.230 4.776 1.00 0.00 H new ATOM 0 HA ILE A 39 10.501 -14.010 2.840 1.00 0.00 H new ATOM 0 HB ILE A 39 8.776 -12.762 4.939 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.143 -13.778 3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.168 -12.073 3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.102 -10.717 3.473 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.646 -11.376 4.064 1.00 0.00 H new ATOM 0 HG23 ILE A 39 10.123 -11.695 2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.878 -13.449 1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.426 -12.573 1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.400 -14.303 1.535 1.00 0.00 H new ATOM 607 N VAL A 40 12.302 -13.575 4.594 1.00 0.00 N ATOM 608 CA VAL A 40 13.405 -13.425 5.553 1.00 0.00 C ATOM 609 C VAL A 40 14.029 -12.025 5.407 1.00 0.00 C ATOM 610 O VAL A 40 13.733 -11.348 4.424 1.00 0.00 O ATOM 611 CB VAL A 40 14.401 -14.602 5.414 1.00 0.00 C ATOM 612 CG1 VAL A 40 13.690 -15.943 5.240 1.00 0.00 C ATOM 613 CG2 VAL A 40 15.352 -14.487 4.230 1.00 0.00 C ATOM 0 H VAL A 40 12.559 -13.326 3.639 1.00 0.00 H new ATOM 0 HA VAL A 40 13.040 -13.482 6.579 1.00 0.00 H new ATOM 0 HB VAL A 40 14.964 -14.553 6.346 1.00 0.00 H new ATOM 0 HG11 VAL A 40 14.430 -16.738 5.147 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.058 -16.135 6.107 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.073 -15.914 4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 40 16.014 -15.353 4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.778 -14.447 3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.946 -13.579 4.328 1.00 0.00 H new ATOM 623 N PRO A 41 14.850 -11.526 6.347 1.00 0.00 N ATOM 624 CA PRO A 41 15.519 -10.238 6.181 1.00 0.00 C ATOM 625 C PRO A 41 16.648 -10.318 5.151 1.00 0.00 C ATOM 626 O PRO A 41 17.039 -11.394 4.700 1.00 0.00 O ATOM 627 CB PRO A 41 16.036 -9.858 7.571 1.00 0.00 C ATOM 628 CG PRO A 41 16.257 -11.211 8.235 1.00 0.00 C ATOM 629 CD PRO A 41 15.142 -12.080 7.658 1.00 0.00 C ATOM 0 HA PRO A 41 14.837 -9.480 5.796 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.959 -9.280 7.515 1.00 0.00 H new ATOM 0 HB3 PRO A 41 15.314 -9.253 8.119 1.00 0.00 H new ATOM 0 HG2 PRO A 41 17.242 -11.616 8.002 1.00 0.00 H new ATOM 0 HG3 PRO A 41 16.190 -11.141 9.321 1.00 0.00 H new ATOM 0 HD2 PRO A 41 15.457 -13.121 7.582 1.00 0.00 H new ATOM 0 HD3 PRO A 41 14.259 -12.060 8.297 1.00 0.00 H new ATOM 637 N GLY A 42 17.142 -9.148 4.766 1.00 0.00 N ATOM 638 CA GLY A 42 18.267 -8.938 3.878 1.00 0.00 C ATOM 639 C GLY A 42 19.166 -7.836 4.445 1.00 0.00 C ATOM 640 O GLY A 42 19.009 -7.416 5.596 1.00 0.00 O ATOM 0 H GLY A 42 16.739 -8.268 5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 42 18.833 -9.863 3.766 1.00 0.00 H new ATOM 0 HA3 GLY A 42 17.913 -8.659 2.885 1.00 0.00 H new ATOM 644 N GLU A 43 20.141 -7.390 3.656 1.00 0.00 N ATOM 645 CA GLU A 43 21.055 -6.300 3.985 1.00 0.00 C ATOM 646 C GLU A 43 20.295 -4.983 4.199 1.00 0.00 C ATOM 647 O GLU A 43 19.151 -4.824 3.751 1.00 0.00 O ATOM 648 CB GLU A 43 22.095 -6.138 2.864 1.00 0.00 C ATOM 649 CG GLU A 43 22.923 -7.421 2.685 1.00 0.00 C ATOM 650 CD GLU A 43 24.184 -7.264 1.829 1.00 0.00 C ATOM 651 OE1 GLU A 43 24.646 -6.125 1.585 1.00 0.00 O ATOM 652 OE2 GLU A 43 24.795 -8.310 1.515 1.00 0.00 O ATOM 0 H GLU A 43 20.322 -7.793 2.737 1.00 0.00 H new ATOM 0 HA GLU A 43 21.563 -6.548 4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 43 21.591 -5.894 1.929 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.757 -5.304 3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 43 23.214 -7.788 3.669 1.00 0.00 H new ATOM 0 HG3 GLU A 43 22.289 -8.185 2.234 1.00 0.00 H new ATOM 659 N GLN A 44 20.951 -4.024 4.859 1.00 0.00 N ATOM 660 CA GLN A 44 20.403 -2.719 5.201 1.00 0.00 C ATOM 661 C GLN A 44 21.472 -1.635 5.138 1.00 0.00 C ATOM 662 O GLN A 44 22.664 -1.935 5.002 1.00 0.00 O ATOM 663 CB GLN A 44 19.746 -2.778 6.589 1.00 0.00 C ATOM 664 CG GLN A 44 20.662 -3.034 7.792 1.00 0.00 C ATOM 665 CD GLN A 44 21.084 -4.493 7.913 1.00 0.00 C ATOM 666 OE1 GLN A 44 22.191 -4.869 7.542 1.00 0.00 O ATOM 667 NE2 GLN A 44 20.225 -5.340 8.451 1.00 0.00 N ATOM 0 H GLN A 44 21.912 -4.145 5.179 1.00 0.00 H new ATOM 0 HA GLN A 44 19.641 -2.458 4.467 1.00 0.00 H new ATOM 0 HB2 GLN A 44 19.226 -1.835 6.756 1.00 0.00 H new ATOM 0 HB3 GLN A 44 18.988 -3.561 6.570 1.00 0.00 H new ATOM 0 HG2 GLN A 44 21.551 -2.409 7.705 1.00 0.00 H new ATOM 0 HG3 GLN A 44 20.148 -2.732 8.705 1.00 0.00 H new ATOM 0 HE21 GLN A 44 19.308 -5.012 8.755 1.00 0.00 H new ATOM 0 HE22 GLN A 44 20.479 -6.322 8.563 1.00 0.00 H new ATOM 676 N GLY A 45 21.064 -0.381 5.313 1.00 0.00 N ATOM 677 CA GLY A 45 21.951 0.766 5.338 1.00 0.00 C ATOM 678 C GLY A 45 21.201 2.048 5.693 1.00 0.00 C ATOM 679 O GLY A 45 20.008 2.037 6.013 1.00 0.00 O ATOM 0 H GLY A 45 20.083 -0.134 5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 45 22.746 0.596 6.064 1.00 0.00 H new ATOM 0 HA3 GLY A 45 22.427 0.880 4.364 1.00 0.00 H new ATOM 683 N ALA A 46 21.937 3.154 5.651 1.00 0.00 N ATOM 684 CA ALA A 46 21.454 4.509 5.862 1.00 0.00 C ATOM 685 C ALA A 46 21.644 5.341 4.589 1.00 0.00 C ATOM 686 O ALA A 46 20.882 6.267 4.333 1.00 0.00 O ATOM 687 CB ALA A 46 22.274 5.144 6.985 1.00 0.00 C ATOM 0 H ALA A 46 22.938 3.125 5.459 1.00 0.00 H new ATOM 0 HA ALA A 46 20.395 4.481 6.119 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.926 6.162 7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.155 4.560 7.897 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.326 5.163 6.701 1.00 0.00 H new ATOM 693 N GLU A 47 22.624 4.984 3.756 1.00 0.00 N ATOM 694 CA GLU A 47 22.991 5.700 2.544 1.00 0.00 C ATOM 695 C GLU A 47 22.525 4.829 1.379 1.00 0.00 C ATOM 696 O GLU A 47 22.879 3.645 1.330 1.00 0.00 O ATOM 697 CB GLU A 47 24.506 5.957 2.601 1.00 0.00 C ATOM 698 CG GLU A 47 25.147 6.375 1.274 1.00 0.00 C ATOM 699 CD GLU A 47 24.407 7.515 0.574 1.00 0.00 C ATOM 700 OE1 GLU A 47 23.830 8.394 1.242 1.00 0.00 O ATOM 701 OE2 GLU A 47 24.339 7.480 -0.673 1.00 0.00 O ATOM 0 H GLU A 47 23.201 4.158 3.917 1.00 0.00 H new ATOM 0 HA GLU A 47 22.524 6.678 2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 47 24.699 6.735 3.340 1.00 0.00 H new ATOM 0 HB3 GLU A 47 24.999 5.052 2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 47 26.178 6.679 1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 47 25.183 5.512 0.609 1.00 0.00 H new ATOM 708 N TYR A 48 21.808 5.405 0.411 1.00 0.00 N ATOM 709 CA TYR A 48 21.214 4.663 -0.701 1.00 0.00 C ATOM 710 C TYR A 48 22.188 4.391 -1.858 1.00 0.00 C ATOM 711 O TYR A 48 21.896 3.527 -2.678 1.00 0.00 O ATOM 712 CB TYR A 48 19.990 5.448 -1.199 1.00 0.00 C ATOM 713 CG TYR A 48 19.140 4.778 -2.270 1.00 0.00 C ATOM 714 CD1 TYR A 48 18.070 3.936 -1.911 1.00 0.00 C ATOM 715 CD2 TYR A 48 19.372 5.055 -3.633 1.00 0.00 C ATOM 716 CE1 TYR A 48 17.241 3.376 -2.902 1.00 0.00 C ATOM 717 CE2 TYR A 48 18.533 4.514 -4.626 1.00 0.00 C ATOM 718 CZ TYR A 48 17.469 3.660 -4.267 1.00 0.00 C ATOM 719 OH TYR A 48 16.645 3.140 -5.218 1.00 0.00 O ATOM 0 H TYR A 48 21.623 6.407 0.378 1.00 0.00 H new ATOM 0 HA TYR A 48 20.929 3.678 -0.330 1.00 0.00 H new ATOM 0 HB2 TYR A 48 19.351 5.663 -0.342 1.00 0.00 H new ATOM 0 HB3 TYR A 48 20.335 6.406 -1.588 1.00 0.00 H new ATOM 0 HD1 TYR A 48 17.884 3.718 -0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 48 20.200 5.687 -3.918 1.00 0.00 H new ATOM 0 HE1 TYR A 48 16.427 2.726 -2.617 1.00 0.00 H new ATOM 0 HE2 TYR A 48 18.704 4.753 -5.665 1.00 0.00 H new ATOM 0 HH TYR A 48 16.719 3.669 -6.040 1.00 0.00 H new ATOM 729 N GLN A 49 23.386 4.986 -1.898 1.00 0.00 N ATOM 730 CA GLN A 49 24.379 4.691 -2.935 1.00 0.00 C ATOM 731 C GLN A 49 24.666 3.189 -3.014 1.00 0.00 C ATOM 732 O GLN A 49 24.767 2.641 -4.108 1.00 0.00 O ATOM 733 CB GLN A 49 25.647 5.487 -2.616 1.00 0.00 C ATOM 734 CG GLN A 49 26.841 5.217 -3.532 1.00 0.00 C ATOM 735 CD GLN A 49 27.914 6.276 -3.284 1.00 0.00 C ATOM 736 OE1 GLN A 49 28.392 6.451 -2.162 1.00 0.00 O ATOM 737 NE2 GLN A 49 28.265 7.046 -4.299 1.00 0.00 N ATOM 0 H GLN A 49 23.692 5.681 -1.217 1.00 0.00 H new ATOM 0 HA GLN A 49 23.996 4.985 -3.912 1.00 0.00 H new ATOM 0 HB2 GLN A 49 25.409 6.550 -2.662 1.00 0.00 H new ATOM 0 HB3 GLN A 49 25.942 5.270 -1.589 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.244 4.222 -3.341 1.00 0.00 H new ATOM 0 HG3 GLN A 49 26.526 5.238 -4.575 1.00 0.00 H new ATOM 0 HE21 GLN A 49 27.861 6.889 -5.222 1.00 0.00 H new ATOM 0 HE22 GLN A 49 28.940 7.798 -4.159 1.00 0.00 H new ATOM 746 N HIS A 50 24.730 2.527 -1.860 1.00 0.00 N ATOM 747 CA HIS A 50 24.920 1.086 -1.733 1.00 0.00 C ATOM 748 C HIS A 50 23.839 0.303 -2.481 1.00 0.00 C ATOM 749 O HIS A 50 24.130 -0.722 -3.097 1.00 0.00 O ATOM 750 CB HIS A 50 24.924 0.702 -0.248 1.00 0.00 C ATOM 751 CG HIS A 50 25.891 1.524 0.564 1.00 0.00 C ATOM 752 ND1 HIS A 50 25.575 2.648 1.295 1.00 0.00 N ATOM 753 CD2 HIS A 50 27.250 1.358 0.608 1.00 0.00 C ATOM 754 CE1 HIS A 50 26.724 3.169 1.751 1.00 0.00 C ATOM 755 NE2 HIS A 50 27.765 2.401 1.387 1.00 0.00 N ATOM 0 H HIS A 50 24.648 2.996 -0.958 1.00 0.00 H new ATOM 0 HA HIS A 50 25.878 0.827 -2.184 1.00 0.00 H new ATOM 0 HB2 HIS A 50 23.920 0.825 0.157 1.00 0.00 H new ATOM 0 HB3 HIS A 50 25.180 -0.353 -0.151 1.00 0.00 H new ATOM 0 HD1 HIS A 50 24.638 3.017 1.460 1.00 0.00 H new ATOM 0 HD2 HIS A 50 27.817 0.572 0.132 1.00 0.00 H new ATOM 0 HE1 HIS A 50 26.802 4.078 2.329 1.00 0.00 H new ATOM 763 N PHE A 51 22.593 0.785 -2.439 1.00 0.00 N ATOM 764 CA PHE A 51 21.432 0.140 -3.040 1.00 0.00 C ATOM 765 C PHE A 51 21.684 -0.013 -4.543 1.00 0.00 C ATOM 766 O PHE A 51 21.339 -1.044 -5.128 1.00 0.00 O ATOM 767 CB PHE A 51 20.180 1.003 -2.768 1.00 0.00 C ATOM 768 CG PHE A 51 18.823 0.317 -2.844 1.00 0.00 C ATOM 769 CD1 PHE A 51 18.418 -0.402 -3.985 1.00 0.00 C ATOM 770 CD2 PHE A 51 17.929 0.426 -1.758 1.00 0.00 C ATOM 771 CE1 PHE A 51 17.151 -1.001 -4.045 1.00 0.00 C ATOM 772 CE2 PHE A 51 16.647 -0.146 -1.830 1.00 0.00 C ATOM 773 CZ PHE A 51 16.255 -0.855 -2.979 1.00 0.00 C ATOM 0 H PHE A 51 22.363 1.661 -1.971 1.00 0.00 H new ATOM 0 HA PHE A 51 21.267 -0.848 -2.609 1.00 0.00 H new ATOM 0 HB2 PHE A 51 20.281 1.439 -1.774 1.00 0.00 H new ATOM 0 HB3 PHE A 51 20.180 1.829 -3.479 1.00 0.00 H new ATOM 0 HD1 PHE A 51 19.091 -0.493 -4.824 1.00 0.00 H new ATOM 0 HD2 PHE A 51 18.232 0.953 -0.865 1.00 0.00 H new ATOM 0 HE1 PHE A 51 16.866 -1.575 -4.914 1.00 0.00 H new ATOM 0 HE2 PHE A 51 15.962 -0.041 -1.002 1.00 0.00 H new ATOM 0 HZ PHE A 51 15.266 -1.285 -3.039 1.00 0.00 H new ATOM 783 N ILE A 52 22.327 0.982 -5.166 1.00 0.00 N ATOM 784 CA ILE A 52 22.541 0.981 -6.602 1.00 0.00 C ATOM 785 C ILE A 52 23.404 -0.239 -6.957 1.00 0.00 C ATOM 786 O ILE A 52 23.030 -1.011 -7.839 1.00 0.00 O ATOM 787 CB ILE A 52 23.172 2.300 -7.109 1.00 0.00 C ATOM 788 CG1 ILE A 52 22.692 3.613 -6.451 1.00 0.00 C ATOM 789 CG2 ILE A 52 22.865 2.399 -8.615 1.00 0.00 C ATOM 790 CD1 ILE A 52 21.204 3.933 -6.471 1.00 0.00 C ATOM 0 H ILE A 52 22.707 1.799 -4.687 1.00 0.00 H new ATOM 0 HA ILE A 52 21.577 0.912 -7.106 1.00 0.00 H new ATOM 0 HB ILE A 52 24.229 2.229 -6.851 1.00 0.00 H new ATOM 0 HG12 ILE A 52 23.014 3.599 -5.410 1.00 0.00 H new ATOM 0 HG13 ILE A 52 23.215 4.437 -6.936 1.00 0.00 H new ATOM 0 HG21 ILE A 52 23.294 3.318 -9.014 1.00 0.00 H new ATOM 0 HG22 ILE A 52 23.298 1.542 -9.132 1.00 0.00 H new ATOM 0 HG23 ILE A 52 21.786 2.406 -8.767 1.00 0.00 H new ATOM 0 HD11 ILE A 52 21.030 4.886 -5.971 1.00 0.00 H new ATOM 0 HD12 ILE A 52 20.859 3.997 -7.503 1.00 0.00 H new ATOM 0 HD13 ILE A 52 20.656 3.146 -5.954 1.00 0.00 H new ATOM 802 N GLN A 53 24.531 -0.452 -6.259 1.00 0.00 N ATOM 803 CA GLN A 53 25.410 -1.591 -6.525 1.00 0.00 C ATOM 804 C GLN A 53 24.739 -2.920 -6.177 1.00 0.00 C ATOM 805 O GLN A 53 25.048 -3.936 -6.806 1.00 0.00 O ATOM 806 CB GLN A 53 26.724 -1.512 -5.730 1.00 0.00 C ATOM 807 CG GLN A 53 27.632 -0.340 -6.118 1.00 0.00 C ATOM 808 CD GLN A 53 27.212 0.943 -5.420 1.00 0.00 C ATOM 809 OE1 GLN A 53 27.020 0.943 -4.214 1.00 0.00 O ATOM 810 NE2 GLN A 53 27.055 2.041 -6.134 1.00 0.00 N ATOM 0 H GLN A 53 24.852 0.155 -5.504 1.00 0.00 H new ATOM 0 HA GLN A 53 25.623 -1.546 -7.593 1.00 0.00 H new ATOM 0 HB2 GLN A 53 26.488 -1.436 -4.669 1.00 0.00 H new ATOM 0 HB3 GLN A 53 27.274 -2.443 -5.868 1.00 0.00 H new ATOM 0 HG2 GLN A 53 28.664 -0.576 -5.858 1.00 0.00 H new ATOM 0 HG3 GLN A 53 27.600 -0.195 -7.198 1.00 0.00 H new ATOM 0 HE21 GLN A 53 27.220 2.023 -7.140 1.00 0.00 H new ATOM 0 HE22 GLN A 53 26.769 2.908 -5.680 1.00 0.00 H new ATOM 819 N GLN A 54 23.873 -2.940 -5.161 1.00 0.00 N ATOM 820 CA GLN A 54 23.236 -4.163 -4.692 1.00 0.00 C ATOM 821 C GLN A 54 22.397 -4.806 -5.794 1.00 0.00 C ATOM 822 O GLN A 54 22.391 -6.033 -5.895 1.00 0.00 O ATOM 823 CB GLN A 54 22.352 -3.868 -3.478 1.00 0.00 C ATOM 824 CG GLN A 54 23.152 -3.501 -2.220 1.00 0.00 C ATOM 825 CD GLN A 54 23.197 -4.610 -1.179 1.00 0.00 C ATOM 826 OE1 GLN A 54 23.044 -5.799 -1.468 1.00 0.00 O ATOM 827 NE2 GLN A 54 23.366 -4.227 0.071 1.00 0.00 N ATOM 0 H GLN A 54 23.597 -2.106 -4.643 1.00 0.00 H new ATOM 0 HA GLN A 54 24.023 -4.861 -4.406 1.00 0.00 H new ATOM 0 HB2 GLN A 54 21.674 -3.050 -3.721 1.00 0.00 H new ATOM 0 HB3 GLN A 54 21.735 -4.741 -3.266 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.171 -3.245 -2.510 1.00 0.00 H new ATOM 0 HG3 GLN A 54 22.715 -2.609 -1.770 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.491 -3.238 0.289 1.00 0.00 H new ATOM 0 HE22 GLN A 54 23.372 -4.919 0.820 1.00 0.00 H new ATOM 836 N CYS A 55 21.698 -4.002 -6.601 1.00 0.00 N ATOM 837 CA CYS A 55 20.798 -4.475 -7.642 1.00 0.00 C ATOM 838 C CYS A 55 21.550 -5.374 -8.633 1.00 0.00 C ATOM 839 O CYS A 55 22.517 -4.967 -9.283 1.00 0.00 O ATOM 840 CB CYS A 55 20.138 -3.282 -8.329 1.00 0.00 C ATOM 841 SG CYS A 55 19.119 -2.367 -7.133 1.00 0.00 S ATOM 0 H CYS A 55 21.747 -2.985 -6.543 1.00 0.00 H new ATOM 0 HA CYS A 55 20.009 -5.083 -7.198 1.00 0.00 H new ATOM 0 HB2 CYS A 55 20.900 -2.625 -8.749 1.00 0.00 H new ATOM 0 HB3 CYS A 55 19.521 -3.625 -9.159 1.00 0.00 H new ATOM 0 HG CYS A 55 19.889 -1.785 -6.262 1.00 0.00 H new ATOM 847 N THR A 56 21.111 -6.622 -8.717 1.00 0.00 N ATOM 848 CA THR A 56 21.632 -7.725 -9.492 1.00 0.00 C ATOM 849 C THR A 56 21.114 -7.707 -10.933 1.00 0.00 C ATOM 850 O THR A 56 20.517 -6.727 -11.374 1.00 0.00 O ATOM 851 CB THR A 56 21.205 -8.967 -8.694 1.00 0.00 C ATOM 852 OG1 THR A 56 19.889 -8.772 -8.172 1.00 0.00 O ATOM 853 CG2 THR A 56 22.161 -9.164 -7.506 1.00 0.00 C ATOM 0 H THR A 56 20.291 -6.911 -8.183 1.00 0.00 H new ATOM 0 HA THR A 56 22.714 -7.688 -9.619 1.00 0.00 H new ATOM 0 HB THR A 56 21.228 -9.836 -9.352 1.00 0.00 H new ATOM 0 HG1 THR A 56 19.243 -9.263 -8.722 1.00 0.00 H new ATOM 0 HG21 THR A 56 21.860 -10.045 -6.939 1.00 0.00 H new ATOM 0 HG22 THR A 56 23.177 -9.301 -7.876 1.00 0.00 H new ATOM 0 HG23 THR A 56 22.125 -8.287 -6.860 1.00 0.00 H new ATOM 861 N ASP A 57 21.431 -8.748 -11.702 1.00 0.00 N ATOM 862 CA ASP A 57 20.956 -8.930 -13.067 1.00 0.00 C ATOM 863 C ASP A 57 19.511 -9.447 -13.097 1.00 0.00 C ATOM 864 O ASP A 57 18.609 -8.711 -13.490 1.00 0.00 O ATOM 865 CB ASP A 57 21.911 -9.832 -13.877 1.00 0.00 C ATOM 866 CG ASP A 57 22.006 -11.299 -13.427 1.00 0.00 C ATOM 867 OD1 ASP A 57 21.879 -11.585 -12.213 1.00 0.00 O ATOM 868 OD2 ASP A 57 22.204 -12.185 -14.286 1.00 0.00 O ATOM 0 H ASP A 57 22.039 -9.503 -11.384 1.00 0.00 H new ATOM 0 HA ASP A 57 20.952 -7.952 -13.549 1.00 0.00 H new ATOM 0 HB2 ASP A 57 21.596 -9.814 -14.920 1.00 0.00 H new ATOM 0 HB3 ASP A 57 22.909 -9.396 -13.837 1.00 0.00 H new ATOM 873 N ASP A 58 19.283 -10.702 -12.703 1.00 0.00 N ATOM 874 CA ASP A 58 18.010 -11.398 -12.740 1.00 0.00 C ATOM 875 C ASP A 58 17.368 -11.572 -11.378 1.00 0.00 C ATOM 876 O ASP A 58 16.147 -11.488 -11.255 1.00 0.00 O ATOM 877 CB ASP A 58 18.258 -12.800 -13.313 1.00 0.00 C ATOM 878 CG ASP A 58 16.984 -13.630 -13.515 1.00 0.00 C ATOM 879 OD1 ASP A 58 16.334 -14.079 -12.540 1.00 0.00 O ATOM 880 OD2 ASP A 58 16.702 -13.961 -14.687 1.00 0.00 O ATOM 0 H ASP A 58 20.030 -11.287 -12.329 1.00 0.00 H new ATOM 0 HA ASP A 58 17.334 -10.795 -13.345 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.771 -12.704 -14.270 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.928 -13.340 -12.645 1.00 0.00 H new ATOM 885 N VAL A 59 18.184 -11.805 -10.338 1.00 0.00 N ATOM 886 CA VAL A 59 17.643 -12.080 -9.026 1.00 0.00 C ATOM 887 C VAL A 59 16.827 -10.854 -8.631 1.00 0.00 C ATOM 888 O VAL A 59 17.299 -9.718 -8.736 1.00 0.00 O ATOM 889 CB VAL A 59 18.725 -12.531 -8.027 1.00 0.00 C ATOM 890 CG1 VAL A 59 19.763 -13.439 -8.701 1.00 0.00 C ATOM 891 CG2 VAL A 59 19.462 -11.506 -7.173 1.00 0.00 C ATOM 0 H VAL A 59 19.203 -11.806 -10.392 1.00 0.00 H new ATOM 0 HA VAL A 59 16.977 -12.943 -9.026 1.00 0.00 H new ATOM 0 HB VAL A 59 18.096 -13.046 -7.301 1.00 0.00 H new ATOM 0 HG11 VAL A 59 20.513 -13.740 -7.969 1.00 0.00 H new ATOM 0 HG12 VAL A 59 19.268 -14.325 -9.099 1.00 0.00 H new ATOM 0 HG13 VAL A 59 20.246 -12.898 -9.514 1.00 0.00 H new ATOM 0 HG21 VAL A 59 20.183 -12.016 -6.534 1.00 0.00 H new ATOM 0 HG22 VAL A 59 19.985 -10.802 -7.820 1.00 0.00 H new ATOM 0 HG23 VAL A 59 18.746 -10.967 -6.553 1.00 0.00 H new ATOM 901 N ARG A 60 15.599 -11.109 -8.203 1.00 0.00 N ATOM 902 CA ARG A 60 14.592 -10.129 -7.856 1.00 0.00 C ATOM 903 C ARG A 60 14.540 -10.094 -6.333 1.00 0.00 C ATOM 904 O ARG A 60 14.686 -11.140 -5.696 1.00 0.00 O ATOM 905 CB ARG A 60 13.285 -10.493 -8.590 1.00 0.00 C ATOM 906 CG ARG A 60 12.727 -11.910 -8.358 1.00 0.00 C ATOM 907 CD ARG A 60 13.445 -12.990 -9.191 1.00 0.00 C ATOM 908 NE ARG A 60 14.175 -13.967 -8.368 1.00 0.00 N ATOM 909 CZ ARG A 60 14.792 -15.047 -8.868 1.00 0.00 C ATOM 910 NH1 ARG A 60 15.162 -15.128 -10.145 1.00 0.00 N ATOM 911 NH2 ARG A 60 15.027 -16.081 -8.074 1.00 0.00 N ATOM 0 H ARG A 60 15.264 -12.065 -8.083 1.00 0.00 H new ATOM 0 HA ARG A 60 14.804 -9.110 -8.181 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.520 -9.775 -8.296 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.449 -10.364 -9.660 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.814 -12.159 -7.300 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.665 -11.919 -8.601 1.00 0.00 H new ATOM 0 HD2 ARG A 60 12.711 -13.516 -9.802 1.00 0.00 H new ATOM 0 HD3 ARG A 60 14.143 -12.508 -9.875 1.00 0.00 H new ATOM 0 HE ARG A 60 14.214 -13.814 -7.360 1.00 0.00 H new ATOM 0 HH11 ARG A 60 14.978 -14.351 -10.780 1.00 0.00 H new ATOM 0 HH12 ARG A 60 15.630 -15.967 -10.488 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.739 -16.049 -7.096 1.00 0.00 H new ATOM 0 HH22 ARG A 60 15.496 -16.909 -8.441 1.00 0.00 H new ATOM 925 N LEU A 61 14.363 -8.907 -5.757 1.00 0.00 N ATOM 926 CA LEU A 61 14.395 -8.672 -4.313 1.00 0.00 C ATOM 927 C LEU A 61 13.352 -7.632 -3.907 1.00 0.00 C ATOM 928 O LEU A 61 12.770 -6.974 -4.764 1.00 0.00 O ATOM 929 CB LEU A 61 15.837 -8.208 -3.999 1.00 0.00 C ATOM 930 CG LEU A 61 16.198 -7.834 -2.551 1.00 0.00 C ATOM 931 CD1 LEU A 61 16.073 -9.044 -1.625 1.00 0.00 C ATOM 932 CD2 LEU A 61 17.633 -7.316 -2.497 1.00 0.00 C ATOM 0 H LEU A 61 14.189 -8.058 -6.295 1.00 0.00 H new ATOM 0 HA LEU A 61 14.146 -9.569 -3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.515 -9.002 -4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 61 16.049 -7.342 -4.626 1.00 0.00 H new ATOM 0 HG LEU A 61 15.505 -7.061 -2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.334 -8.752 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 61 15.048 -9.413 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.748 -9.831 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.886 -7.052 -1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 61 18.313 -8.091 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.726 -6.435 -3.132 1.00 0.00 H new ATOM 944 N PHE A 62 13.115 -7.474 -2.605 1.00 0.00 N ATOM 945 CA PHE A 62 12.208 -6.461 -2.062 1.00 0.00 C ATOM 946 C PHE A 62 12.977 -5.605 -1.046 1.00 0.00 C ATOM 947 O PHE A 62 13.777 -6.142 -0.276 1.00 0.00 O ATOM 948 CB PHE A 62 11.011 -7.137 -1.377 1.00 0.00 C ATOM 949 CG PHE A 62 9.921 -7.743 -2.248 1.00 0.00 C ATOM 950 CD1 PHE A 62 10.181 -8.809 -3.132 1.00 0.00 C ATOM 951 CD2 PHE A 62 8.593 -7.308 -2.079 1.00 0.00 C ATOM 952 CE1 PHE A 62 9.123 -9.450 -3.801 1.00 0.00 C ATOM 953 CE2 PHE A 62 7.536 -7.955 -2.737 1.00 0.00 C ATOM 954 CZ PHE A 62 7.797 -9.039 -3.585 1.00 0.00 C ATOM 0 H PHE A 62 13.553 -8.053 -1.888 1.00 0.00 H new ATOM 0 HA PHE A 62 11.834 -5.832 -2.870 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.400 -7.928 -0.735 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.542 -6.399 -0.726 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.197 -9.135 -3.297 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.385 -6.466 -1.435 1.00 0.00 H new ATOM 0 HE1 PHE A 62 9.331 -10.261 -4.483 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.521 -7.617 -2.590 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.983 -9.556 -4.070 1.00 0.00 H new ATOM 964 N ALA A 63 12.701 -4.297 -0.977 1.00 0.00 N ATOM 965 CA ALA A 63 13.281 -3.353 -0.028 1.00 0.00 C ATOM 966 C ALA A 63 12.182 -2.576 0.684 1.00 0.00 C ATOM 967 O ALA A 63 11.117 -2.358 0.112 1.00 0.00 O ATOM 968 CB ALA A 63 14.239 -2.406 -0.742 1.00 0.00 C ATOM 0 H ALA A 63 12.037 -3.853 -1.612 1.00 0.00 H new ATOM 0 HA ALA A 63 13.845 -3.910 0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.664 -1.707 -0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 63 15.040 -2.981 -1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.698 -1.852 -1.509 1.00 0.00 H new ATOM 974 N PHE A 64 12.416 -2.208 1.937 1.00 0.00 N ATOM 975 CA PHE A 64 11.529 -1.421 2.782 1.00 0.00 C ATOM 976 C PHE A 64 12.350 -0.203 3.159 1.00 0.00 C ATOM 977 O PHE A 64 13.455 -0.370 3.684 1.00 0.00 O ATOM 978 CB PHE A 64 11.105 -2.236 4.013 1.00 0.00 C ATOM 979 CG PHE A 64 10.211 -1.474 4.973 1.00 0.00 C ATOM 980 CD1 PHE A 64 9.018 -0.894 4.504 1.00 0.00 C ATOM 981 CD2 PHE A 64 10.566 -1.330 6.328 1.00 0.00 C ATOM 982 CE1 PHE A 64 8.196 -0.166 5.378 1.00 0.00 C ATOM 983 CE2 PHE A 64 9.745 -0.585 7.197 1.00 0.00 C ATOM 984 CZ PHE A 64 8.570 0.012 6.719 1.00 0.00 C ATOM 0 H PHE A 64 13.278 -2.465 2.417 1.00 0.00 H new ATOM 0 HA PHE A 64 10.602 -1.137 2.284 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.584 -3.134 3.681 1.00 0.00 H new ATOM 0 HB3 PHE A 64 11.998 -2.564 4.545 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.734 -1.009 3.468 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.468 -1.791 6.701 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.271 0.259 5.017 1.00 0.00 H new ATOM 0 HE2 PHE A 64 10.022 -0.473 8.235 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.956 0.606 7.379 1.00 0.00 H new ATOM 994 N VAL A 65 11.846 0.998 2.879 1.00 0.00 N ATOM 995 CA VAL A 65 12.604 2.218 3.110 1.00 0.00 C ATOM 996 C VAL A 65 11.719 3.297 3.743 1.00 0.00 C ATOM 997 O VAL A 65 10.533 3.406 3.417 1.00 0.00 O ATOM 998 CB VAL A 65 13.165 2.683 1.742 1.00 0.00 C ATOM 999 CG1 VAL A 65 14.109 3.877 1.882 1.00 0.00 C ATOM 1000 CG2 VAL A 65 13.934 1.556 1.023 1.00 0.00 C ATOM 0 H VAL A 65 10.914 1.148 2.492 1.00 0.00 H new ATOM 0 HA VAL A 65 13.421 2.034 3.807 1.00 0.00 H new ATOM 0 HB VAL A 65 12.293 2.972 1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 65 14.477 4.167 0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 65 13.573 4.714 2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 65 14.951 3.603 2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 65 14.310 1.924 0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.771 1.233 1.643 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.265 0.713 0.849 1.00 0.00 H new ATOM 1010 N ARG A 66 12.291 4.095 4.649 1.00 0.00 N ATOM 1011 CA ARG A 66 11.648 5.235 5.295 1.00 0.00 C ATOM 1012 C ARG A 66 11.817 6.437 4.377 1.00 0.00 C ATOM 1013 O ARG A 66 12.950 6.816 4.075 1.00 0.00 O ATOM 1014 CB ARG A 66 12.253 5.429 6.695 1.00 0.00 C ATOM 1015 CG ARG A 66 11.733 6.670 7.441 1.00 0.00 C ATOM 1016 CD ARG A 66 12.656 7.890 7.261 1.00 0.00 C ATOM 1017 NE ARG A 66 13.408 8.203 8.493 1.00 0.00 N ATOM 1018 CZ ARG A 66 13.049 9.103 9.420 1.00 0.00 C ATOM 1019 NH1 ARG A 66 11.909 9.772 9.297 1.00 0.00 N ATOM 1020 NH2 ARG A 66 13.829 9.339 10.472 1.00 0.00 N ATOM 0 H ARG A 66 13.252 3.956 4.962 1.00 0.00 H new ATOM 0 HA ARG A 66 10.580 5.082 5.448 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.043 4.544 7.295 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.337 5.502 6.603 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.734 6.916 7.080 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.640 6.441 8.503 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.356 7.698 6.448 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.060 8.755 6.970 1.00 0.00 H new ATOM 0 HE ARG A 66 14.275 7.690 8.653 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.302 9.602 8.495 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.640 10.456 10.005 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.708 8.833 10.578 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.547 10.025 11.172 1.00 0.00 H new ATOM 1034 N PHE A 67 10.712 7.017 3.909 1.00 0.00 N ATOM 1035 CA PHE A 67 10.700 8.118 2.961 1.00 0.00 C ATOM 1036 C PHE A 67 9.672 9.154 3.413 1.00 0.00 C ATOM 1037 O PHE A 67 8.517 8.828 3.687 1.00 0.00 O ATOM 1038 CB PHE A 67 10.452 7.550 1.562 1.00 0.00 C ATOM 1039 CG PHE A 67 10.435 8.587 0.464 1.00 0.00 C ATOM 1040 CD1 PHE A 67 11.619 9.245 0.086 1.00 0.00 C ATOM 1041 CD2 PHE A 67 9.230 8.892 -0.188 1.00 0.00 C ATOM 1042 CE1 PHE A 67 11.588 10.221 -0.923 1.00 0.00 C ATOM 1043 CE2 PHE A 67 9.193 9.882 -1.181 1.00 0.00 C ATOM 1044 CZ PHE A 67 10.370 10.548 -1.550 1.00 0.00 C ATOM 0 H PHE A 67 9.777 6.722 4.190 1.00 0.00 H new ATOM 0 HA PHE A 67 11.656 8.640 2.922 1.00 0.00 H new ATOM 0 HB2 PHE A 67 11.225 6.814 1.339 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.499 7.021 1.561 1.00 0.00 H new ATOM 0 HD1 PHE A 67 12.552 9.000 0.572 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.327 8.362 0.076 1.00 0.00 H new ATOM 0 HE1 PHE A 67 12.499 10.721 -1.218 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.258 10.131 -1.661 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.343 11.311 -2.314 1.00 0.00 H new ATOM 1054 N THR A 68 10.099 10.403 3.530 1.00 0.00 N ATOM 1055 CA THR A 68 9.293 11.510 4.032 1.00 0.00 C ATOM 1056 C THR A 68 8.262 11.936 2.976 1.00 0.00 C ATOM 1057 O THR A 68 8.656 12.498 1.952 1.00 0.00 O ATOM 1058 CB THR A 68 10.261 12.663 4.371 1.00 0.00 C ATOM 1059 OG1 THR A 68 11.313 12.194 5.194 1.00 0.00 O ATOM 1060 CG2 THR A 68 9.575 13.825 5.093 1.00 0.00 C ATOM 0 H THR A 68 11.045 10.684 3.271 1.00 0.00 H new ATOM 0 HA THR A 68 8.735 11.219 4.922 1.00 0.00 H new ATOM 0 HB THR A 68 10.641 13.028 3.417 1.00 0.00 H new ATOM 0 HG1 THR A 68 11.921 12.934 5.401 1.00 0.00 H new ATOM 0 HG21 THR A 68 10.307 14.605 5.305 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.785 14.231 4.461 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.144 13.468 6.028 1.00 0.00 H new ATOM 1128 N SER A 74 2.936 19.432 10.723 1.00 0.00 N ATOM 1129 CA SER A 74 3.733 18.613 11.615 1.00 0.00 C ATOM 1130 C SER A 74 4.769 17.821 10.827 1.00 0.00 C ATOM 1131 O SER A 74 4.735 17.768 9.591 1.00 0.00 O ATOM 1132 CB SER A 74 2.784 17.587 12.255 1.00 0.00 C ATOM 1133 OG SER A 74 1.527 18.149 12.559 1.00 0.00 O ATOM 0 HA SER A 74 4.231 19.249 12.347 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.650 16.744 11.577 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.236 17.194 13.166 1.00 0.00 H new ATOM 0 HG SER A 74 1.289 18.808 11.874 1.00 0.00 H new ATOM 1139 N LYS A 75 5.702 17.169 11.529 1.00 0.00 N ATOM 1140 CA LYS A 75 6.657 16.305 10.840 1.00 0.00 C ATOM 1141 C LYS A 75 5.850 15.090 10.388 1.00 0.00 C ATOM 1142 O LYS A 75 4.900 14.688 11.059 1.00 0.00 O ATOM 1143 CB LYS A 75 7.799 15.848 11.757 1.00 0.00 C ATOM 1144 CG LYS A 75 8.573 16.984 12.443 1.00 0.00 C ATOM 1145 CD LYS A 75 9.294 17.904 11.444 1.00 0.00 C ATOM 1146 CE LYS A 75 10.093 19.005 12.156 1.00 0.00 C ATOM 1147 NZ LYS A 75 11.162 18.462 13.027 1.00 0.00 N ATOM 0 H LYS A 75 5.813 17.221 12.542 1.00 0.00 H new ATOM 0 HA LYS A 75 7.125 16.841 10.014 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.388 15.193 12.525 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.500 15.253 11.171 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.883 17.577 13.043 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.304 16.556 13.129 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.966 17.311 10.824 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.563 18.360 10.777 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.537 19.666 11.411 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.414 19.611 12.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.795 19.233 13.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.735 18.024 13.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.707 17.747 12.503 1.00 0.00 H new ATOM 1161 N ARG A 76 6.232 14.476 9.274 1.00 0.00 N ATOM 1162 CA ARG A 76 5.599 13.257 8.783 1.00 0.00 C ATOM 1163 C ARG A 76 6.715 12.307 8.406 1.00 0.00 C ATOM 1164 O ARG A 76 7.811 12.740 8.064 1.00 0.00 O ATOM 1165 CB ARG A 76 4.645 13.530 7.604 1.00 0.00 C ATOM 1166 CG ARG A 76 3.497 14.492 7.977 1.00 0.00 C ATOM 1167 CD ARG A 76 2.100 13.967 7.636 1.00 0.00 C ATOM 1168 NE ARG A 76 1.593 14.441 6.338 1.00 0.00 N ATOM 1169 CZ ARG A 76 0.422 14.087 5.793 1.00 0.00 C ATOM 1170 NH1 ARG A 76 -0.201 12.995 6.230 1.00 0.00 N ATOM 1171 NH2 ARG A 76 -0.104 14.777 4.790 1.00 0.00 N ATOM 0 H ARG A 76 6.993 14.811 8.683 1.00 0.00 H new ATOM 0 HA ARG A 76 4.969 12.818 9.556 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.212 13.952 6.774 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.224 12.586 7.256 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.544 14.698 9.046 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.652 15.440 7.463 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.121 12.877 7.632 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.406 14.269 8.420 1.00 0.00 H new ATOM 0 HE ARG A 76 2.179 15.090 5.813 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.214 12.435 6.975 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.093 12.718 5.820 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.384 15.593 4.421 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.997 14.492 4.388 1.00 0.00 H new ATOM 1185 N SER A 77 6.409 11.022 8.441 1.00 0.00 N ATOM 1186 CA SER A 77 7.319 9.933 8.148 1.00 0.00 C ATOM 1187 C SER A 77 6.437 8.891 7.473 1.00 0.00 C ATOM 1188 O SER A 77 5.323 8.626 7.946 1.00 0.00 O ATOM 1189 CB SER A 77 7.960 9.450 9.463 1.00 0.00 C ATOM 1190 OG SER A 77 9.150 8.720 9.253 1.00 0.00 O ATOM 0 H SER A 77 5.474 10.696 8.686 1.00 0.00 H new ATOM 0 HA SER A 77 8.156 10.193 7.500 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.174 10.311 10.096 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.247 8.827 10.003 1.00 0.00 H new ATOM 0 HG SER A 77 9.698 8.748 10.065 1.00 0.00 H new ATOM 1196 N LYS A 78 6.849 8.397 6.306 1.00 0.00 N ATOM 1197 CA LYS A 78 6.107 7.418 5.526 1.00 0.00 C ATOM 1198 C LYS A 78 7.108 6.376 5.064 1.00 0.00 C ATOM 1199 O LYS A 78 8.308 6.489 5.323 1.00 0.00 O ATOM 1200 CB LYS A 78 5.301 8.087 4.394 1.00 0.00 C ATOM 1201 CG LYS A 78 4.021 8.711 4.970 1.00 0.00 C ATOM 1202 CD LYS A 78 3.061 9.229 3.891 1.00 0.00 C ATOM 1203 CE LYS A 78 1.816 9.912 4.475 1.00 0.00 C ATOM 1204 NZ LYS A 78 2.165 11.042 5.363 1.00 0.00 N ATOM 0 H LYS A 78 7.728 8.675 5.870 1.00 0.00 H new ATOM 0 HA LYS A 78 5.341 6.921 6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.905 8.854 3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 78 5.047 7.351 3.631 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.505 7.969 5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.292 9.534 5.631 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.590 9.935 3.251 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.750 8.397 3.259 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.186 10.272 3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.230 9.181 5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.898 10.810 6.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.189 11.217 5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.654 11.895 5.057 1.00 0.00 H new ATOM 1218 N PHE A 79 6.602 5.340 4.404 1.00 0.00 N ATOM 1219 CA PHE A 79 7.432 4.223 3.995 1.00 0.00 C ATOM 1220 C PHE A 79 7.058 3.775 2.601 1.00 0.00 C ATOM 1221 O PHE A 79 5.870 3.743 2.254 1.00 0.00 O ATOM 1222 CB PHE A 79 7.294 3.086 5.016 1.00 0.00 C ATOM 1223 CG PHE A 79 7.472 3.572 6.439 1.00 0.00 C ATOM 1224 CD1 PHE A 79 8.771 3.700 6.953 1.00 0.00 C ATOM 1225 CD2 PHE A 79 6.379 4.115 7.147 1.00 0.00 C ATOM 1226 CE1 PHE A 79 8.983 4.430 8.129 1.00 0.00 C ATOM 1227 CE2 PHE A 79 6.603 4.867 8.313 1.00 0.00 C ATOM 1228 CZ PHE A 79 7.909 5.016 8.811 1.00 0.00 C ATOM 0 H PHE A 79 5.620 5.255 4.143 1.00 0.00 H new ATOM 0 HA PHE A 79 8.477 4.530 3.966 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.313 2.623 4.912 1.00 0.00 H new ATOM 0 HB3 PHE A 79 8.034 2.315 4.802 1.00 0.00 H new ATOM 0 HD1 PHE A 79 9.604 3.238 6.444 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.371 3.953 6.793 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.986 4.542 8.514 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.773 5.330 8.826 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.084 5.580 9.715 1.00 0.00 H new ATOM 1238 N ALA A 80 8.079 3.422 1.832 1.00 0.00 N ATOM 1239 CA ALA A 80 7.993 2.985 0.458 1.00 0.00 C ATOM 1240 C ALA A 80 8.471 1.537 0.408 1.00 0.00 C ATOM 1241 O ALA A 80 9.473 1.182 1.034 1.00 0.00 O ATOM 1242 CB ALA A 80 8.847 3.919 -0.411 1.00 0.00 C ATOM 0 H ALA A 80 9.039 3.436 2.175 1.00 0.00 H new ATOM 0 HA ALA A 80 6.975 3.027 0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.791 3.600 -1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.474 4.939 -0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.883 3.882 -0.075 1.00 0.00 H new ATOM 1248 N LEU A 81 7.717 0.696 -0.298 1.00 0.00 N ATOM 1249 CA LEU A 81 8.065 -0.698 -0.532 1.00 0.00 C ATOM 1250 C LEU A 81 8.581 -0.737 -1.960 1.00 0.00 C ATOM 1251 O LEU A 81 7.828 -0.487 -2.895 1.00 0.00 O ATOM 1252 CB LEU A 81 6.833 -1.590 -0.288 1.00 0.00 C ATOM 1253 CG LEU A 81 6.975 -3.100 -0.587 1.00 0.00 C ATOM 1254 CD1 LEU A 81 6.579 -3.529 -2.001 1.00 0.00 C ATOM 1255 CD2 LEU A 81 8.362 -3.649 -0.288 1.00 0.00 C ATOM 0 H LEU A 81 6.834 0.972 -0.729 1.00 0.00 H new ATOM 0 HA LEU A 81 8.827 -1.083 0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.539 -1.480 0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.013 -1.203 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 81 6.251 -3.533 0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.716 -4.605 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.534 -3.277 -2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.205 -3.011 -2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.390 -4.713 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.100 -3.125 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.592 -3.502 0.767 1.00 0.00 H new ATOM 1267 N ILE A 82 9.858 -1.024 -2.151 1.00 0.00 N ATOM 1268 CA ILE A 82 10.477 -1.005 -3.469 1.00 0.00 C ATOM 1269 C ILE A 82 10.705 -2.453 -3.852 1.00 0.00 C ATOM 1270 O ILE A 82 11.103 -3.261 -3.013 1.00 0.00 O ATOM 1271 CB ILE A 82 11.755 -0.140 -3.461 1.00 0.00 C ATOM 1272 CG1 ILE A 82 11.430 1.322 -3.073 1.00 0.00 C ATOM 1273 CG2 ILE A 82 12.429 -0.145 -4.834 1.00 0.00 C ATOM 1274 CD1 ILE A 82 11.780 1.578 -1.610 1.00 0.00 C ATOM 0 H ILE A 82 10.497 -1.277 -1.397 1.00 0.00 H new ATOM 0 HA ILE A 82 9.843 -0.537 -4.222 1.00 0.00 H new ATOM 0 HB ILE A 82 12.431 -0.571 -2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 82 11.988 2.006 -3.712 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.372 1.522 -3.240 1.00 0.00 H new ATOM 0 HG21 ILE A 82 13.327 0.472 -4.801 1.00 0.00 H new ATOM 0 HG22 ILE A 82 12.700 -1.166 -5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.741 0.255 -5.579 1.00 0.00 H new ATOM 0 HD11 ILE A 82 11.545 2.611 -1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 82 11.202 0.907 -0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 82 12.844 1.399 -1.454 1.00 0.00 H new ATOM 1286 N THR A 83 10.443 -2.787 -5.110 1.00 0.00 N ATOM 1287 CA THR A 83 10.571 -4.154 -5.567 1.00 0.00 C ATOM 1288 C THR A 83 11.593 -4.091 -6.704 1.00 0.00 C ATOM 1289 O THR A 83 11.388 -3.338 -7.661 1.00 0.00 O ATOM 1290 CB THR A 83 9.187 -4.641 -6.039 1.00 0.00 C ATOM 1291 OG1 THR A 83 8.128 -4.162 -5.221 1.00 0.00 O ATOM 1292 CG2 THR A 83 9.142 -6.161 -5.910 1.00 0.00 C ATOM 0 H THR A 83 10.141 -2.127 -5.826 1.00 0.00 H new ATOM 0 HA THR A 83 10.904 -4.854 -4.801 1.00 0.00 H new ATOM 0 HB THR A 83 9.057 -4.279 -7.059 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.958 -3.219 -5.425 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.169 -6.525 -6.240 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.923 -6.602 -6.529 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.301 -6.443 -4.869 1.00 0.00 H new ATOM 1300 N TRP A 84 12.679 -4.856 -6.603 1.00 0.00 N ATOM 1301 CA TRP A 84 13.685 -4.956 -7.644 1.00 0.00 C ATOM 1302 C TRP A 84 13.290 -6.150 -8.504 1.00 0.00 C ATOM 1303 O TRP A 84 13.197 -7.264 -7.982 1.00 0.00 O ATOM 1304 CB TRP A 84 15.074 -5.199 -7.022 1.00 0.00 C ATOM 1305 CG TRP A 84 16.115 -5.534 -8.045 1.00 0.00 C ATOM 1306 CD1 TRP A 84 16.789 -6.701 -8.135 1.00 0.00 C ATOM 1307 CD2 TRP A 84 16.492 -4.767 -9.226 1.00 0.00 C ATOM 1308 NE1 TRP A 84 17.510 -6.733 -9.311 1.00 0.00 N ATOM 1309 CE2 TRP A 84 17.322 -5.582 -10.051 1.00 0.00 C ATOM 1310 CE3 TRP A 84 16.163 -3.483 -9.709 1.00 0.00 C ATOM 1311 CZ2 TRP A 84 17.737 -5.164 -11.326 1.00 0.00 C ATOM 1312 CZ3 TRP A 84 16.623 -3.036 -10.957 1.00 0.00 C ATOM 1313 CH2 TRP A 84 17.379 -3.885 -11.783 1.00 0.00 C ATOM 0 H TRP A 84 12.882 -5.428 -5.783 1.00 0.00 H new ATOM 0 HA TRP A 84 13.739 -4.038 -8.229 1.00 0.00 H new ATOM 0 HB2 TRP A 84 15.383 -4.309 -6.474 1.00 0.00 H new ATOM 0 HB3 TRP A 84 15.007 -6.012 -6.299 1.00 0.00 H new ATOM 0 HD1 TRP A 84 16.767 -7.490 -7.398 1.00 0.00 H new ATOM 0 HE1 TRP A 84 18.107 -7.509 -9.598 1.00 0.00 H new ATOM 0 HE3 TRP A 84 15.546 -2.832 -9.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 18.326 -5.820 -11.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 16.394 -2.033 -11.285 1.00 0.00 H new ATOM 0 HH2 TRP A 84 17.684 -3.555 -12.765 1.00 0.00 H new ATOM 1324 N ILE A 85 13.109 -5.945 -9.806 1.00 0.00 N ATOM 1325 CA ILE A 85 12.689 -6.967 -10.750 1.00 0.00 C ATOM 1326 C ILE A 85 13.407 -6.650 -12.071 1.00 0.00 C ATOM 1327 O ILE A 85 12.843 -5.969 -12.924 1.00 0.00 O ATOM 1328 CB ILE A 85 11.144 -6.964 -10.917 1.00 0.00 C ATOM 1329 CG1 ILE A 85 10.233 -6.878 -9.668 1.00 0.00 C ATOM 1330 CG2 ILE A 85 10.755 -8.206 -11.715 1.00 0.00 C ATOM 1331 CD1 ILE A 85 10.057 -8.150 -8.832 1.00 0.00 C ATOM 0 H ILE A 85 13.256 -5.035 -10.242 1.00 0.00 H new ATOM 0 HA ILE A 85 12.950 -7.966 -10.402 1.00 0.00 H new ATOM 0 HB ILE A 85 10.954 -6.010 -11.409 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.629 -6.099 -9.016 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.246 -6.550 -9.994 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.673 -8.229 -11.847 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.240 -8.178 -12.691 1.00 0.00 H new ATOM 0 HG23 ILE A 85 11.074 -9.099 -11.177 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.395 -7.944 -7.991 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.623 -8.935 -9.451 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.027 -8.477 -8.458 1.00 0.00 H new ATOM 1343 N GLY A 86 14.646 -7.116 -12.255 1.00 0.00 N ATOM 1344 CA GLY A 86 15.446 -6.794 -13.441 1.00 0.00 C ATOM 1345 C GLY A 86 14.732 -7.175 -14.742 1.00 0.00 C ATOM 1346 O GLY A 86 13.922 -8.103 -14.757 1.00 0.00 O ATOM 0 H GLY A 86 15.121 -7.725 -11.589 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.667 -5.727 -13.449 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.401 -7.317 -13.386 1.00 0.00 H new ATOM 1350 N GLU A 87 15.031 -6.516 -15.865 1.00 0.00 N ATOM 1351 CA GLU A 87 14.404 -6.852 -17.149 1.00 0.00 C ATOM 1352 C GLU A 87 14.718 -8.293 -17.588 1.00 0.00 C ATOM 1353 O GLU A 87 13.956 -8.889 -18.351 1.00 0.00 O ATOM 1354 CB GLU A 87 14.810 -5.852 -18.244 1.00 0.00 C ATOM 1355 CG GLU A 87 13.802 -5.877 -19.406 1.00 0.00 C ATOM 1356 CD GLU A 87 14.292 -5.149 -20.652 1.00 0.00 C ATOM 1357 OE1 GLU A 87 14.285 -3.898 -20.659 1.00 0.00 O ATOM 1358 OE2 GLU A 87 14.608 -5.824 -21.658 1.00 0.00 O ATOM 0 H GLU A 87 15.701 -5.749 -15.913 1.00 0.00 H new ATOM 0 HA GLU A 87 13.326 -6.783 -17.001 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.863 -4.848 -17.824 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.806 -6.096 -18.615 1.00 0.00 H new ATOM 0 HG2 GLU A 87 13.582 -6.913 -19.663 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.867 -5.425 -19.075 1.00 0.00 H new ATOM 1365 N ASN A 88 15.768 -8.910 -17.041 1.00 0.00 N ATOM 1366 CA ASN A 88 16.179 -10.244 -17.466 1.00 0.00 C ATOM 1367 C ASN A 88 15.373 -11.333 -16.765 1.00 0.00 C ATOM 1368 O ASN A 88 15.423 -12.478 -17.222 1.00 0.00 O ATOM 1369 CB ASN A 88 17.678 -10.468 -17.187 1.00 0.00 C ATOM 1370 CG ASN A 88 18.543 -9.843 -18.267 1.00 0.00 C ATOM 1371 OD1 ASN A 88 18.949 -10.529 -19.203 1.00 0.00 O ATOM 1372 ND2 ASN A 88 18.810 -8.553 -18.193 1.00 0.00 N ATOM 0 H ASN A 88 16.346 -8.506 -16.304 1.00 0.00 H new ATOM 0 HA ASN A 88 15.992 -10.307 -18.538 1.00 0.00 H new ATOM 0 HB2 ASN A 88 17.937 -10.040 -16.219 1.00 0.00 H new ATOM 0 HB3 ASN A 88 17.883 -11.537 -17.128 1.00 0.00 H new ATOM 0 HD21 ASN A 88 19.364 -8.104 -18.922 1.00 0.00 H new ATOM 0 HD22 ASN A 88 18.462 -8.004 -17.407 1.00 0.00 H new ATOM 1379 N VAL A 89 14.626 -11.030 -15.699 1.00 0.00 N ATOM 1380 CA VAL A 89 13.842 -12.055 -15.029 1.00 0.00 C ATOM 1381 C VAL A 89 12.635 -12.442 -15.894 1.00 0.00 C ATOM 1382 O VAL A 89 11.908 -11.592 -16.425 1.00 0.00 O ATOM 1383 CB VAL A 89 13.522 -11.647 -13.579 1.00 0.00 C ATOM 1384 CG1 VAL A 89 12.611 -10.429 -13.409 1.00 0.00 C ATOM 1385 CG2 VAL A 89 12.926 -12.817 -12.793 1.00 0.00 C ATOM 0 H VAL A 89 14.552 -10.098 -15.292 1.00 0.00 H new ATOM 0 HA VAL A 89 14.423 -12.971 -14.923 1.00 0.00 H new ATOM 0 HB VAL A 89 14.494 -11.355 -13.182 1.00 0.00 H new ATOM 0 HG11 VAL A 89 12.456 -10.236 -12.348 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.077 -9.559 -13.872 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.651 -10.623 -13.887 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.711 -12.498 -11.773 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.004 -13.146 -13.273 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.638 -13.642 -12.772 1.00 0.00 H new ATOM 1395 N SER A 90 12.436 -13.748 -16.061 1.00 0.00 N ATOM 1396 CA SER A 90 11.304 -14.310 -16.770 1.00 0.00 C ATOM 1397 C SER A 90 10.011 -13.883 -16.079 1.00 0.00 C ATOM 1398 O SER A 90 9.964 -13.758 -14.850 1.00 0.00 O ATOM 1399 CB SER A 90 11.425 -15.832 -16.765 1.00 0.00 C ATOM 1400 OG SER A 90 10.302 -16.442 -17.367 1.00 0.00 O ATOM 0 H SER A 90 13.075 -14.455 -15.697 1.00 0.00 H new ATOM 0 HA SER A 90 11.289 -13.951 -17.799 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.330 -16.128 -17.296 1.00 0.00 H new ATOM 0 HB3 SER A 90 11.527 -16.187 -15.739 1.00 0.00 H new ATOM 0 HG SER A 90 10.410 -17.416 -17.350 1.00 0.00 H new ATOM 1406 N GLY A 91 8.939 -13.748 -16.863 1.00 0.00 N ATOM 1407 CA GLY A 91 7.619 -13.437 -16.343 1.00 0.00 C ATOM 1408 C GLY A 91 7.157 -14.494 -15.337 1.00 0.00 C ATOM 1409 O GLY A 91 6.387 -14.172 -14.439 1.00 0.00 O ATOM 0 H GLY A 91 8.969 -13.853 -17.877 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.635 -12.458 -15.864 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.906 -13.378 -17.165 1.00 0.00 H new ATOM 1413 N LEU A 92 7.641 -15.742 -15.430 1.00 0.00 N ATOM 1414 CA LEU A 92 7.279 -16.770 -14.460 1.00 0.00 C ATOM 1415 C LEU A 92 7.891 -16.463 -13.096 1.00 0.00 C ATOM 1416 O LEU A 92 7.185 -16.474 -12.091 1.00 0.00 O ATOM 1417 CB LEU A 92 7.664 -18.167 -14.955 1.00 0.00 C ATOM 1418 CG LEU A 92 6.948 -19.242 -14.107 1.00 0.00 C ATOM 1419 CD1 LEU A 92 6.503 -20.398 -14.996 1.00 0.00 C ATOM 1420 CD2 LEU A 92 7.838 -19.793 -12.989 1.00 0.00 C ATOM 0 H LEU A 92 8.278 -16.056 -16.162 1.00 0.00 H new ATOM 0 HA LEU A 92 6.195 -16.762 -14.346 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.391 -18.278 -16.004 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.744 -18.300 -14.890 1.00 0.00 H new ATOM 0 HG LEU A 92 6.086 -18.759 -13.647 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.999 -21.151 -14.389 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.817 -20.028 -15.758 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.374 -20.843 -15.477 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.288 -20.545 -12.423 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.729 -20.246 -13.423 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.131 -18.981 -12.324 1.00 0.00 H new ATOM 1432 N GLN A 93 9.199 -16.200 -13.023 1.00 0.00 N ATOM 1433 CA GLN A 93 9.833 -15.810 -11.771 1.00 0.00 C ATOM 1434 C GLN A 93 9.207 -14.502 -11.265 1.00 0.00 C ATOM 1435 O GLN A 93 8.936 -14.386 -10.072 1.00 0.00 O ATOM 1436 CB GLN A 93 11.360 -15.748 -11.926 1.00 0.00 C ATOM 1437 CG GLN A 93 12.034 -17.130 -11.828 1.00 0.00 C ATOM 1438 CD GLN A 93 11.595 -18.108 -12.916 1.00 0.00 C ATOM 1439 OE1 GLN A 93 11.481 -17.731 -14.074 1.00 0.00 O ATOM 1440 NE2 GLN A 93 11.332 -19.361 -12.597 1.00 0.00 N ATOM 0 H GLN A 93 9.835 -16.251 -13.819 1.00 0.00 H new ATOM 0 HA GLN A 93 9.650 -16.566 -11.007 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.604 -15.299 -12.889 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.771 -15.094 -11.157 1.00 0.00 H new ATOM 0 HG2 GLN A 93 13.115 -17.001 -11.883 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.813 -17.563 -10.852 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.428 -19.672 -11.630 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.033 -20.019 -13.317 1.00 0.00 H new ATOM 1449 N ARG A 94 8.893 -13.553 -12.153 1.00 0.00 N ATOM 1450 CA ARG A 94 8.212 -12.304 -11.803 1.00 0.00 C ATOM 1451 C ARG A 94 6.821 -12.575 -11.215 1.00 0.00 C ATOM 1452 O ARG A 94 6.369 -11.845 -10.332 1.00 0.00 O ATOM 1453 CB ARG A 94 8.133 -11.442 -13.074 1.00 0.00 C ATOM 1454 CG ARG A 94 7.911 -9.951 -12.810 1.00 0.00 C ATOM 1455 CD ARG A 94 6.539 -9.430 -13.237 1.00 0.00 C ATOM 1456 NE ARG A 94 6.521 -7.954 -13.206 1.00 0.00 N ATOM 1457 CZ ARG A 94 5.469 -7.177 -12.934 1.00 0.00 C ATOM 1458 NH1 ARG A 94 4.296 -7.733 -12.674 1.00 0.00 N ATOM 1459 NH2 ARG A 94 5.564 -5.855 -12.910 1.00 0.00 N ATOM 0 H ARG A 94 9.108 -13.633 -13.147 1.00 0.00 H new ATOM 0 HA ARG A 94 8.770 -11.774 -11.031 1.00 0.00 H new ATOM 0 HB2 ARG A 94 9.056 -11.565 -13.641 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.322 -11.813 -13.701 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.043 -9.760 -11.745 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.680 -9.384 -13.334 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.305 -9.783 -14.241 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.770 -9.824 -12.573 1.00 0.00 H new ATOM 0 HE ARG A 94 7.400 -7.480 -13.413 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.200 -8.748 -12.682 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.488 -7.146 -12.465 1.00 0.00 H new ATOM 0 HH21 ARG A 94 6.459 -5.404 -13.103 1.00 0.00 H new ATOM 0 HH22 ARG A 94 4.743 -5.288 -12.699 1.00 0.00 H new ATOM 1473 N ALA A 95 6.139 -13.635 -11.656 1.00 0.00 N ATOM 1474 CA ALA A 95 4.839 -14.022 -11.132 1.00 0.00 C ATOM 1475 C ALA A 95 4.905 -14.445 -9.660 1.00 0.00 C ATOM 1476 O ALA A 95 3.872 -14.371 -8.996 1.00 0.00 O ATOM 1477 CB ALA A 95 4.200 -15.121 -11.988 1.00 0.00 C ATOM 0 H ALA A 95 6.482 -14.250 -12.394 1.00 0.00 H new ATOM 0 HA ALA A 95 4.205 -13.137 -11.182 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.229 -15.389 -11.571 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.069 -14.758 -13.008 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.846 -15.999 -11.995 1.00 0.00 H new ATOM 1483 N LYS A 96 6.052 -14.893 -9.121 1.00 0.00 N ATOM 1484 CA LYS A 96 6.167 -15.221 -7.688 1.00 0.00 C ATOM 1485 C LYS A 96 5.870 -13.964 -6.898 1.00 0.00 C ATOM 1486 O LYS A 96 4.931 -13.961 -6.109 1.00 0.00 O ATOM 1487 CB LYS A 96 7.549 -15.795 -7.305 1.00 0.00 C ATOM 1488 CG LYS A 96 7.777 -17.286 -7.602 1.00 0.00 C ATOM 1489 CD LYS A 96 7.548 -17.659 -9.067 1.00 0.00 C ATOM 1490 CE LYS A 96 7.992 -19.088 -9.390 1.00 0.00 C ATOM 1491 NZ LYS A 96 9.456 -19.284 -9.441 1.00 0.00 N ATOM 0 H LYS A 96 6.910 -15.036 -9.653 1.00 0.00 H new ATOM 0 HA LYS A 96 5.450 -16.008 -7.454 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.314 -15.222 -7.829 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.703 -15.632 -6.238 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.797 -17.552 -7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.110 -17.879 -6.976 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.490 -17.550 -9.304 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.091 -16.961 -9.704 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.575 -19.761 -8.641 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.567 -19.377 -10.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.666 -20.278 -9.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.863 -18.670 -10.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.871 -19.042 -8.519 1.00 0.00 H new ATOM 1505 N THR A 97 6.575 -12.876 -7.190 1.00 0.00 N ATOM 1506 CA THR A 97 6.341 -11.573 -6.588 1.00 0.00 C ATOM 1507 C THR A 97 4.851 -11.217 -6.734 1.00 0.00 C ATOM 1508 O THR A 97 4.235 -10.718 -5.790 1.00 0.00 O ATOM 1509 CB THR A 97 7.272 -10.596 -7.317 1.00 0.00 C ATOM 1510 OG1 THR A 97 8.607 -11.071 -7.215 1.00 0.00 O ATOM 1511 CG2 THR A 97 7.171 -9.140 -6.862 1.00 0.00 C ATOM 0 H THR A 97 7.339 -12.878 -7.865 1.00 0.00 H new ATOM 0 HA THR A 97 6.558 -11.543 -5.520 1.00 0.00 H new ATOM 0 HB THR A 97 6.944 -10.573 -8.356 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.210 -10.454 -7.680 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.868 -8.530 -7.437 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.155 -8.779 -7.022 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.418 -9.072 -5.803 1.00 0.00 H new ATOM 1519 N GLY A 98 4.248 -11.563 -7.878 1.00 0.00 N ATOM 1520 CA GLY A 98 2.833 -11.387 -8.163 1.00 0.00 C ATOM 1521 C GLY A 98 1.878 -12.075 -7.190 1.00 0.00 C ATOM 1522 O GLY A 98 0.714 -11.681 -7.127 1.00 0.00 O ATOM 0 H GLY A 98 4.757 -11.988 -8.653 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.611 -10.320 -8.170 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.633 -11.761 -9.167 1.00 0.00 H new ATOM 1526 N THR A 99 2.316 -13.073 -6.428 1.00 0.00 N ATOM 1527 CA THR A 99 1.518 -13.745 -5.397 1.00 0.00 C ATOM 1528 C THR A 99 2.157 -13.591 -4.009 1.00 0.00 C ATOM 1529 O THR A 99 1.502 -13.872 -3.003 1.00 0.00 O ATOM 1530 CB THR A 99 1.294 -15.222 -5.788 1.00 0.00 C ATOM 1531 OG1 THR A 99 0.885 -15.299 -7.144 1.00 0.00 O ATOM 1532 CG2 THR A 99 0.203 -15.915 -4.960 1.00 0.00 C ATOM 0 H THR A 99 3.260 -13.450 -6.510 1.00 0.00 H new ATOM 0 HA THR A 99 0.540 -13.267 -5.334 1.00 0.00 H new ATOM 0 HB THR A 99 2.244 -15.724 -5.606 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.745 -16.237 -7.391 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.099 -16.949 -5.288 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.478 -15.895 -3.906 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.744 -15.394 -5.098 1.00 0.00 H new ATOM 1540 N ASP A 100 3.325 -12.957 -3.915 1.00 0.00 N ATOM 1541 CA ASP A 100 4.086 -12.834 -2.680 1.00 0.00 C ATOM 1542 C ASP A 100 3.964 -11.462 -2.046 1.00 0.00 C ATOM 1543 O ASP A 100 4.150 -11.367 -0.840 1.00 0.00 O ATOM 1544 CB ASP A 100 5.579 -13.021 -2.965 1.00 0.00 C ATOM 1545 CG ASP A 100 6.006 -14.437 -3.343 1.00 0.00 C ATOM 1546 OD1 ASP A 100 5.334 -15.423 -2.955 1.00 0.00 O ATOM 1547 OD2 ASP A 100 7.051 -14.565 -4.016 1.00 0.00 O ATOM 0 H ASP A 100 3.774 -12.507 -4.712 1.00 0.00 H new ATOM 0 HA ASP A 100 3.682 -13.593 -2.010 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.864 -12.347 -3.773 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.140 -12.715 -2.082 1.00 0.00 H new ATOM 1552 N LYS A 101 3.643 -10.397 -2.789 1.00 0.00 N ATOM 1553 CA LYS A 101 3.540 -9.057 -2.194 1.00 0.00 C ATOM 1554 C LYS A 101 2.675 -9.038 -0.940 1.00 0.00 C ATOM 1555 O LYS A 101 3.057 -8.402 0.036 1.00 0.00 O ATOM 1556 CB LYS A 101 3.001 -8.046 -3.208 1.00 0.00 C ATOM 1557 CG LYS A 101 4.066 -7.607 -4.222 1.00 0.00 C ATOM 1558 CD LYS A 101 3.466 -6.858 -5.415 1.00 0.00 C ATOM 1559 CE LYS A 101 2.691 -5.629 -4.930 1.00 0.00 C ATOM 1560 NZ LYS A 101 2.507 -4.631 -5.994 1.00 0.00 N ATOM 0 H LYS A 101 3.452 -10.433 -3.790 1.00 0.00 H new ATOM 0 HA LYS A 101 4.551 -8.773 -1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.156 -8.484 -3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 101 2.625 -7.170 -2.679 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.795 -6.967 -3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.604 -8.484 -4.581 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.259 -6.552 -6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.803 -7.519 -5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.716 -5.941 -4.555 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.223 -5.173 -4.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.920 -3.849 -5.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.434 -4.262 -6.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.037 -5.075 -6.809 1.00 0.00 H new ATOM 1574 N THR A 102 1.571 -9.784 -0.921 1.00 0.00 N ATOM 1575 CA THR A 102 0.676 -9.816 0.224 1.00 0.00 C ATOM 1576 C THR A 102 1.392 -10.304 1.493 1.00 0.00 C ATOM 1577 O THR A 102 1.039 -9.886 2.588 1.00 0.00 O ATOM 1578 CB THR A 102 -0.539 -10.681 -0.134 1.00 0.00 C ATOM 1579 OG1 THR A 102 -1.633 -10.372 0.704 1.00 0.00 O ATOM 1580 CG2 THR A 102 -0.242 -12.181 -0.055 1.00 0.00 C ATOM 0 H THR A 102 1.277 -10.378 -1.696 1.00 0.00 H new ATOM 0 HA THR A 102 0.336 -8.806 0.453 1.00 0.00 H new ATOM 0 HB THR A 102 -0.788 -10.449 -1.169 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.400 -10.932 0.461 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.138 -12.744 -0.318 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.560 -12.430 -0.749 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.063 -12.439 0.959 1.00 0.00 H new ATOM 1588 N LEU A 103 2.400 -11.172 1.371 1.00 0.00 N ATOM 1589 CA LEU A 103 3.143 -11.737 2.488 1.00 0.00 C ATOM 1590 C LEU A 103 3.885 -10.624 3.201 1.00 0.00 C ATOM 1591 O LEU A 103 3.627 -10.318 4.360 1.00 0.00 O ATOM 1592 CB LEU A 103 4.121 -12.794 1.984 1.00 0.00 C ATOM 1593 CG LEU A 103 3.438 -14.076 1.491 1.00 0.00 C ATOM 1594 CD1 LEU A 103 4.542 -15.062 1.158 1.00 0.00 C ATOM 1595 CD2 LEU A 103 2.489 -14.738 2.501 1.00 0.00 C ATOM 0 H LEU A 103 2.727 -11.507 0.465 1.00 0.00 H new ATOM 0 HA LEU A 103 2.454 -12.214 3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.713 -12.372 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.815 -13.047 2.786 1.00 0.00 H new ATOM 0 HG LEU A 103 2.816 -13.801 0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.102 -15.994 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.183 -14.643 0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.135 -15.259 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.056 -15.636 2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.044 -15.007 3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.692 -14.042 2.762 1.00 0.00 H new ATOM 1607 N VAL A 104 4.811 -9.996 2.491 1.00 0.00 N ATOM 1608 CA VAL A 104 5.535 -8.852 3.021 1.00 0.00 C ATOM 1609 C VAL A 104 4.539 -7.730 3.384 1.00 0.00 C ATOM 1610 O VAL A 104 4.779 -7.022 4.365 1.00 0.00 O ATOM 1611 CB VAL A 104 6.713 -8.515 2.075 1.00 0.00 C ATOM 1612 CG1 VAL A 104 6.410 -8.649 0.570 1.00 0.00 C ATOM 1613 CG2 VAL A 104 7.318 -7.137 2.352 1.00 0.00 C ATOM 0 H VAL A 104 5.079 -10.261 1.543 1.00 0.00 H new ATOM 0 HA VAL A 104 6.026 -9.055 3.973 1.00 0.00 H new ATOM 0 HB VAL A 104 7.443 -9.288 2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.299 -8.391 -0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.120 -9.676 0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.596 -7.975 0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 104 8.139 -6.954 1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.554 -6.371 2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 104 7.692 -7.103 3.375 1.00 0.00 H new ATOM 1623 N LYS A 105 3.382 -7.610 2.708 1.00 0.00 N ATOM 1624 CA LYS A 105 2.372 -6.620 3.082 1.00 0.00 C ATOM 1625 C LYS A 105 1.858 -6.939 4.481 1.00 0.00 C ATOM 1626 O LYS A 105 1.799 -6.032 5.294 1.00 0.00 O ATOM 1627 CB LYS A 105 1.211 -6.566 2.076 1.00 0.00 C ATOM 1628 CG LYS A 105 0.319 -5.323 2.252 1.00 0.00 C ATOM 1629 CD LYS A 105 -1.077 -5.548 1.650 1.00 0.00 C ATOM 1630 CE LYS A 105 -1.990 -6.324 2.616 1.00 0.00 C ATOM 1631 NZ LYS A 105 -2.863 -5.421 3.398 1.00 0.00 N ATOM 0 H LYS A 105 3.130 -8.186 1.905 1.00 0.00 H new ATOM 0 HA LYS A 105 2.838 -5.635 3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 105 1.614 -6.576 1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 105 0.601 -7.463 2.185 1.00 0.00 H new ATOM 0 HG2 LYS A 105 0.226 -5.086 3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 105 0.790 -4.464 1.773 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -1.531 -4.586 1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -0.986 -6.098 0.713 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -2.606 -7.023 2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -1.378 -6.916 3.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -2.731 -5.604 4.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -2.616 -4.433 3.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -3.857 -5.591 3.142 1.00 0.00 H new ATOM 1645 N GLU A 106 1.508 -8.192 4.796 1.00 0.00 N ATOM 1646 CA GLU A 106 0.963 -8.615 6.089 1.00 0.00 C ATOM 1647 C GLU A 106 1.845 -8.161 7.258 1.00 0.00 C ATOM 1648 O GLU A 106 1.333 -7.921 8.356 1.00 0.00 O ATOM 1649 CB GLU A 106 0.826 -10.147 6.141 1.00 0.00 C ATOM 1650 CG GLU A 106 -0.330 -10.714 5.304 1.00 0.00 C ATOM 1651 CD GLU A 106 -1.626 -10.863 6.094 1.00 0.00 C ATOM 1652 OE1 GLU A 106 -1.595 -11.420 7.219 1.00 0.00 O ATOM 1653 OE2 GLU A 106 -2.677 -10.414 5.586 1.00 0.00 O ATOM 0 H GLU A 106 1.600 -8.964 4.135 1.00 0.00 H new ATOM 0 HA GLU A 106 -0.016 -8.146 6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.759 -10.594 5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 106 0.689 -10.451 7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.506 -10.061 4.449 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.040 -11.687 4.907 1.00 0.00 H new ATOM 1660 N VAL A 107 3.155 -8.053 7.044 1.00 0.00 N ATOM 1661 CA VAL A 107 4.103 -7.561 8.030 1.00 0.00 C ATOM 1662 C VAL A 107 4.138 -6.027 7.993 1.00 0.00 C ATOM 1663 O VAL A 107 3.954 -5.363 9.017 1.00 0.00 O ATOM 1664 CB VAL A 107 5.494 -8.179 7.740 1.00 0.00 C ATOM 1665 CG1 VAL A 107 6.541 -7.663 8.741 1.00 0.00 C ATOM 1666 CG2 VAL A 107 5.458 -9.712 7.833 1.00 0.00 C ATOM 0 H VAL A 107 3.592 -8.312 6.159 1.00 0.00 H new ATOM 0 HA VAL A 107 3.800 -7.857 9.034 1.00 0.00 H new ATOM 0 HB VAL A 107 5.765 -7.882 6.727 1.00 0.00 H new ATOM 0 HG11 VAL A 107 7.509 -8.111 8.518 1.00 0.00 H new ATOM 0 HG12 VAL A 107 6.616 -6.578 8.663 1.00 0.00 H new ATOM 0 HG13 VAL A 107 6.241 -7.934 9.753 1.00 0.00 H new ATOM 0 HG21 VAL A 107 6.450 -10.113 7.624 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.151 -10.009 8.836 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.748 -10.104 7.105 1.00 0.00 H new ATOM 1676 N VAL A 108 4.381 -5.456 6.821 1.00 0.00 N ATOM 1677 CA VAL A 108 4.562 -4.035 6.549 1.00 0.00 C ATOM 1678 C VAL A 108 3.247 -3.270 6.298 1.00 0.00 C ATOM 1679 O VAL A 108 3.278 -2.226 5.662 1.00 0.00 O ATOM 1680 CB VAL A 108 5.642 -3.955 5.432 1.00 0.00 C ATOM 1681 CG1 VAL A 108 6.064 -2.542 5.016 1.00 0.00 C ATOM 1682 CG2 VAL A 108 6.918 -4.675 5.923 1.00 0.00 C ATOM 0 H VAL A 108 4.463 -6.015 5.972 1.00 0.00 H new ATOM 0 HA VAL A 108 4.919 -3.495 7.426 1.00 0.00 H new ATOM 0 HB VAL A 108 5.178 -4.417 4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.820 -2.604 4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 108 5.197 -1.999 4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.477 -2.017 5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 108 7.684 -4.626 5.149 1.00 0.00 H new ATOM 0 HG22 VAL A 108 7.285 -4.189 6.827 1.00 0.00 H new ATOM 0 HG23 VAL A 108 6.687 -5.718 6.140 1.00 0.00 H new ATOM 1692 N GLN A 109 2.086 -3.700 6.816 1.00 0.00 N ATOM 1693 CA GLN A 109 0.805 -3.042 6.510 1.00 0.00 C ATOM 1694 C GLN A 109 0.784 -1.524 6.762 1.00 0.00 C ATOM 1695 O GLN A 109 0.068 -0.804 6.060 1.00 0.00 O ATOM 1696 CB GLN A 109 -0.350 -3.720 7.272 1.00 0.00 C ATOM 1697 CG GLN A 109 -0.600 -5.149 6.771 1.00 0.00 C ATOM 1698 CD GLN A 109 -1.995 -5.693 7.050 1.00 0.00 C ATOM 1699 OE1 GLN A 109 -2.703 -6.096 6.130 1.00 0.00 O ATOM 1700 NE2 GLN A 109 -2.422 -5.779 8.297 1.00 0.00 N ATOM 0 H GLN A 109 2.007 -4.498 7.447 1.00 0.00 H new ATOM 0 HA GLN A 109 0.672 -3.165 5.435 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -0.119 -3.743 8.337 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.259 -3.129 7.156 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -0.424 -5.177 5.696 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.132 -5.813 7.232 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -1.835 -5.445 9.061 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.339 -6.180 8.496 1.00 0.00 H new ATOM 1709 N ASN A 110 1.611 -1.009 7.677 1.00 0.00 N ATOM 1710 CA ASN A 110 1.734 0.422 7.919 1.00 0.00 C ATOM 1711 C ASN A 110 2.854 0.956 7.024 1.00 0.00 C ATOM 1712 O ASN A 110 4.011 1.064 7.438 1.00 0.00 O ATOM 1713 CB ASN A 110 1.973 0.714 9.402 1.00 0.00 C ATOM 1714 CG ASN A 110 2.253 2.195 9.651 1.00 0.00 C ATOM 1715 OD1 ASN A 110 1.915 3.066 8.848 1.00 0.00 O ATOM 1716 ND2 ASN A 110 2.871 2.502 10.776 1.00 0.00 N ATOM 0 H ASN A 110 2.214 -1.579 8.270 1.00 0.00 H new ATOM 0 HA ASN A 110 0.805 0.934 7.667 1.00 0.00 H new ATOM 0 HB2 ASN A 110 1.100 0.407 9.978 1.00 0.00 H new ATOM 0 HB3 ASN A 110 2.815 0.120 9.758 1.00 0.00 H new ATOM 0 HD21 ASN A 110 3.078 3.477 10.995 1.00 0.00 H new ATOM 0 HD22 ASN A 110 3.142 1.765 11.427 1.00 0.00 H new ATOM 1723 N PHE A 111 2.500 1.246 5.774 1.00 0.00 N ATOM 1724 CA PHE A 111 3.352 1.845 4.758 1.00 0.00 C ATOM 1725 C PHE A 111 2.476 2.749 3.888 1.00 0.00 C ATOM 1726 O PHE A 111 1.255 2.776 4.066 1.00 0.00 O ATOM 1727 CB PHE A 111 4.104 0.772 3.951 1.00 0.00 C ATOM 1728 CG PHE A 111 3.329 0.086 2.836 1.00 0.00 C ATOM 1729 CD1 PHE A 111 2.253 -0.777 3.117 1.00 0.00 C ATOM 1730 CD2 PHE A 111 3.705 0.300 1.497 1.00 0.00 C ATOM 1731 CE1 PHE A 111 1.570 -1.432 2.076 1.00 0.00 C ATOM 1732 CE2 PHE A 111 3.004 -0.332 0.457 1.00 0.00 C ATOM 1733 CZ PHE A 111 1.944 -1.206 0.741 1.00 0.00 C ATOM 0 H PHE A 111 1.559 1.058 5.427 1.00 0.00 H new ATOM 0 HA PHE A 111 4.133 2.450 5.219 1.00 0.00 H new ATOM 0 HB2 PHE A 111 4.990 1.233 3.515 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.452 0.006 4.645 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.949 -0.938 4.141 1.00 0.00 H new ATOM 0 HD2 PHE A 111 4.535 0.952 1.268 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.759 -2.108 2.303 1.00 0.00 H new ATOM 0 HE2 PHE A 111 3.283 -0.144 -0.569 1.00 0.00 H new ATOM 0 HZ PHE A 111 1.419 -1.702 -0.062 1.00 0.00 H new ATOM 1743 N ALA A 112 3.074 3.478 2.941 1.00 0.00 N ATOM 1744 CA ALA A 112 2.354 4.438 2.117 1.00 0.00 C ATOM 1745 C ALA A 112 2.053 3.899 0.720 1.00 0.00 C ATOM 1746 O ALA A 112 0.881 3.689 0.395 1.00 0.00 O ATOM 1747 CB ALA A 112 3.133 5.756 2.103 1.00 0.00 C ATOM 0 H ALA A 112 4.070 3.415 2.729 1.00 0.00 H new ATOM 0 HA ALA A 112 1.372 4.623 2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.604 6.485 1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.223 6.136 3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 112 4.127 5.587 1.690 1.00 0.00 H new ATOM 1753 N LYS A 113 3.075 3.664 -0.104 1.00 0.00 N ATOM 1754 CA LYS A 113 2.952 3.164 -1.475 1.00 0.00 C ATOM 1755 C LYS A 113 4.115 2.233 -1.785 1.00 0.00 C ATOM 1756 O LYS A 113 5.035 2.093 -0.976 1.00 0.00 O ATOM 1757 CB LYS A 113 2.856 4.321 -2.497 1.00 0.00 C ATOM 1758 CG LYS A 113 1.439 4.910 -2.607 1.00 0.00 C ATOM 1759 CD LYS A 113 1.207 6.200 -1.803 1.00 0.00 C ATOM 1760 CE LYS A 113 -0.296 6.494 -1.694 1.00 0.00 C ATOM 1761 NZ LYS A 113 -0.976 5.601 -0.727 1.00 0.00 N ATOM 0 H LYS A 113 4.044 3.822 0.173 1.00 0.00 H new ATOM 0 HA LYS A 113 2.023 2.600 -1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 113 3.550 5.111 -2.210 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.171 3.960 -3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 113 1.226 5.111 -3.657 1.00 0.00 H new ATOM 0 HG3 LYS A 113 0.723 4.159 -2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 113 1.638 6.099 -0.807 1.00 0.00 H new ATOM 0 HD3 LYS A 113 1.714 7.035 -2.287 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -0.440 7.531 -1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -0.758 6.382 -2.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -1.738 5.083 -1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -0.289 4.924 -0.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -1.379 6.169 0.046 1.00 0.00 H new ATOM 1775 N GLU A 114 4.061 1.580 -2.938 1.00 0.00 N ATOM 1776 CA GLU A 114 5.085 0.653 -3.402 1.00 0.00 C ATOM 1777 C GLU A 114 5.563 1.035 -4.795 1.00 0.00 C ATOM 1778 O GLU A 114 4.915 1.854 -5.451 1.00 0.00 O ATOM 1779 CB GLU A 114 4.587 -0.791 -3.304 1.00 0.00 C ATOM 1780 CG GLU A 114 3.373 -1.085 -4.190 1.00 0.00 C ATOM 1781 CD GLU A 114 2.641 -2.375 -3.820 1.00 0.00 C ATOM 1782 OE1 GLU A 114 3.124 -3.188 -3.007 1.00 0.00 O ATOM 1783 OE2 GLU A 114 1.537 -2.594 -4.374 1.00 0.00 O ATOM 0 H GLU A 114 3.285 1.682 -3.592 1.00 0.00 H new ATOM 0 HA GLU A 114 5.957 0.722 -2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.398 -1.465 -3.579 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.330 -1.008 -2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 114 2.675 -0.250 -4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.699 -1.147 -5.228 1.00 0.00 H new ATOM 1790 N PHE A 115 6.659 0.436 -5.268 1.00 0.00 N ATOM 1791 CA PHE A 115 7.234 0.825 -6.548 1.00 0.00 C ATOM 1792 C PHE A 115 7.863 -0.461 -7.119 1.00 0.00 C ATOM 1793 O PHE A 115 8.185 -1.387 -6.358 1.00 0.00 O ATOM 1794 CB PHE A 115 8.318 1.863 -6.183 1.00 0.00 C ATOM 1795 CG PHE A 115 8.770 2.865 -7.225 1.00 0.00 C ATOM 1796 CD1 PHE A 115 9.096 2.580 -8.566 1.00 0.00 C ATOM 1797 CD2 PHE A 115 8.684 4.208 -6.814 1.00 0.00 C ATOM 1798 CE1 PHE A 115 9.334 3.635 -9.466 1.00 0.00 C ATOM 1799 CE2 PHE A 115 8.916 5.253 -7.706 1.00 0.00 C ATOM 1800 CZ PHE A 115 9.254 4.971 -9.034 1.00 0.00 C ATOM 0 H PHE A 115 7.158 -0.312 -4.786 1.00 0.00 H new ATOM 0 HA PHE A 115 6.537 1.244 -7.274 1.00 0.00 H new ATOM 0 HB2 PHE A 115 7.955 2.426 -5.324 1.00 0.00 H new ATOM 0 HB3 PHE A 115 9.200 1.313 -5.854 1.00 0.00 H new ATOM 0 HD1 PHE A 115 9.163 1.556 -8.902 1.00 0.00 H new ATOM 0 HD2 PHE A 115 8.433 4.433 -5.788 1.00 0.00 H new ATOM 0 HE1 PHE A 115 9.580 3.418 -10.495 1.00 0.00 H new ATOM 0 HE2 PHE A 115 8.835 6.277 -7.373 1.00 0.00 H new ATOM 0 HZ PHE A 115 9.453 5.777 -9.725 1.00 0.00 H new ATOM 1810 N VAL A 116 8.060 -0.544 -8.434 1.00 0.00 N ATOM 1811 CA VAL A 116 8.727 -1.659 -9.099 1.00 0.00 C ATOM 1812 C VAL A 116 9.760 -1.055 -10.053 1.00 0.00 C ATOM 1813 O VAL A 116 9.406 -0.214 -10.880 1.00 0.00 O ATOM 1814 CB VAL A 116 7.716 -2.571 -9.828 1.00 0.00 C ATOM 1815 CG1 VAL A 116 8.422 -3.853 -10.285 1.00 0.00 C ATOM 1816 CG2 VAL A 116 6.532 -2.990 -8.940 1.00 0.00 C ATOM 0 H VAL A 116 7.752 0.181 -9.081 1.00 0.00 H new ATOM 0 HA VAL A 116 9.222 -2.304 -8.373 1.00 0.00 H new ATOM 0 HB VAL A 116 7.330 -1.992 -10.667 1.00 0.00 H new ATOM 0 HG11 VAL A 116 7.709 -4.497 -10.800 1.00 0.00 H new ATOM 0 HG12 VAL A 116 9.236 -3.598 -10.963 1.00 0.00 H new ATOM 0 HG13 VAL A 116 8.823 -4.376 -9.417 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.858 -3.629 -9.510 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.903 -3.536 -8.073 1.00 0.00 H new ATOM 0 HG23 VAL A 116 5.995 -2.102 -8.607 1.00 0.00 H new ATOM 1826 N ILE A 117 11.029 -1.443 -9.919 1.00 0.00 N ATOM 1827 CA ILE A 117 12.134 -0.953 -10.737 1.00 0.00 C ATOM 1828 C ILE A 117 12.805 -2.168 -11.372 1.00 0.00 C ATOM 1829 O ILE A 117 12.960 -3.206 -10.726 1.00 0.00 O ATOM 1830 CB ILE A 117 13.079 -0.080 -9.899 1.00 0.00 C ATOM 1831 CG1 ILE A 117 12.348 1.212 -9.464 1.00 0.00 C ATOM 1832 CG2 ILE A 117 14.313 0.325 -10.718 1.00 0.00 C ATOM 1833 CD1 ILE A 117 12.044 1.237 -7.965 1.00 0.00 C ATOM 0 H ILE A 117 11.322 -2.125 -9.219 1.00 0.00 H new ATOM 0 HA ILE A 117 11.788 -0.300 -11.538 1.00 0.00 H new ATOM 0 HB ILE A 117 13.389 -0.658 -9.029 1.00 0.00 H new ATOM 0 HG12 ILE A 117 12.960 2.076 -9.722 1.00 0.00 H new ATOM 0 HG13 ILE A 117 11.416 1.304 -10.022 1.00 0.00 H new ATOM 0 HG21 ILE A 117 14.969 0.943 -10.105 1.00 0.00 H new ATOM 0 HG22 ILE A 117 14.849 -0.570 -11.035 1.00 0.00 H new ATOM 0 HG23 ILE A 117 13.998 0.889 -11.596 1.00 0.00 H new ATOM 0 HD11 ILE A 117 11.531 2.165 -7.713 1.00 0.00 H new ATOM 0 HD12 ILE A 117 11.408 0.390 -7.709 1.00 0.00 H new ATOM 0 HD13 ILE A 117 12.976 1.174 -7.404 1.00 0.00 H new ATOM 1845 N SER A 118 13.220 -2.018 -12.629 1.00 0.00 N ATOM 1846 CA SER A 118 13.807 -3.078 -13.436 1.00 0.00 C ATOM 1847 C SER A 118 15.127 -2.689 -14.094 1.00 0.00 C ATOM 1848 O SER A 118 15.691 -3.469 -14.866 1.00 0.00 O ATOM 1849 CB SER A 118 12.772 -3.496 -14.483 1.00 0.00 C ATOM 1850 OG SER A 118 12.374 -2.399 -15.292 1.00 0.00 O ATOM 0 H SER A 118 13.154 -1.129 -13.125 1.00 0.00 H new ATOM 0 HA SER A 118 14.058 -3.910 -12.778 1.00 0.00 H new ATOM 0 HB2 SER A 118 13.188 -4.282 -15.114 1.00 0.00 H new ATOM 0 HB3 SER A 118 11.899 -3.917 -13.984 1.00 0.00 H new ATOM 0 HG SER A 118 11.714 -2.701 -15.951 1.00 0.00 H new ATOM 1856 N ASP A 119 15.621 -1.486 -13.817 1.00 0.00 N ATOM 1857 CA ASP A 119 16.819 -0.925 -14.419 1.00 0.00 C ATOM 1858 C ASP A 119 17.624 -0.235 -13.330 1.00 0.00 C ATOM 1859 O ASP A 119 17.096 0.622 -12.622 1.00 0.00 O ATOM 1860 CB ASP A 119 16.396 0.070 -15.498 1.00 0.00 C ATOM 1861 CG ASP A 119 17.553 0.879 -16.074 1.00 0.00 C ATOM 1862 OD1 ASP A 119 18.734 0.495 -15.894 1.00 0.00 O ATOM 1863 OD2 ASP A 119 17.256 1.924 -16.689 1.00 0.00 O ATOM 0 H ASP A 119 15.182 -0.857 -13.145 1.00 0.00 H new ATOM 0 HA ASP A 119 17.435 -1.700 -14.876 1.00 0.00 H new ATOM 0 HB2 ASP A 119 15.905 -0.472 -16.307 1.00 0.00 H new ATOM 0 HB3 ASP A 119 15.659 0.755 -15.079 1.00 0.00 H new ATOM 1868 N ARG A 120 18.890 -0.620 -13.173 1.00 0.00 N ATOM 1869 CA ARG A 120 19.796 -0.047 -12.186 1.00 0.00 C ATOM 1870 C ARG A 120 20.086 1.432 -12.457 1.00 0.00 C ATOM 1871 O ARG A 120 20.507 2.129 -11.540 1.00 0.00 O ATOM 1872 CB ARG A 120 21.098 -0.864 -12.201 1.00 0.00 C ATOM 1873 CG ARG A 120 21.924 -0.701 -10.916 1.00 0.00 C ATOM 1874 CD ARG A 120 23.306 -1.339 -11.073 1.00 0.00 C ATOM 1875 NE ARG A 120 24.145 -0.589 -12.023 1.00 0.00 N ATOM 1876 CZ ARG A 120 25.105 -1.110 -12.796 1.00 0.00 C ATOM 1877 NH1 ARG A 120 25.413 -2.404 -12.739 1.00 0.00 N ATOM 1878 NH2 ARG A 120 25.768 -0.328 -13.642 1.00 0.00 N ATOM 0 H ARG A 120 19.319 -1.352 -13.739 1.00 0.00 H new ATOM 0 HA ARG A 120 19.325 -0.094 -11.204 1.00 0.00 H new ATOM 0 HB2 ARG A 120 20.857 -1.918 -12.340 1.00 0.00 H new ATOM 0 HB3 ARG A 120 21.702 -0.559 -13.056 1.00 0.00 H new ATOM 0 HG2 ARG A 120 22.032 0.358 -10.680 1.00 0.00 H new ATOM 0 HG3 ARG A 120 21.399 -1.162 -10.080 1.00 0.00 H new ATOM 0 HD2 ARG A 120 23.801 -1.379 -10.103 1.00 0.00 H new ATOM 0 HD3 ARG A 120 23.196 -2.367 -11.417 1.00 0.00 H new ATOM 0 HE ARG A 120 23.980 0.415 -12.098 1.00 0.00 H new ATOM 0 HH11 ARG A 120 24.914 -3.019 -12.097 1.00 0.00 H new ATOM 0 HH12 ARG A 120 26.148 -2.780 -13.337 1.00 0.00 H new ATOM 0 HH21 ARG A 120 25.544 0.665 -13.700 1.00 0.00 H new ATOM 0 HH22 ARG A 120 26.500 -0.721 -14.233 1.00 0.00 H new ATOM 1892 N LYS A 121 19.972 1.918 -13.695 1.00 0.00 N ATOM 1893 CA LYS A 121 20.140 3.318 -14.040 1.00 0.00 C ATOM 1894 C LYS A 121 18.913 4.079 -13.570 1.00 0.00 C ATOM 1895 O LYS A 121 19.048 5.110 -12.928 1.00 0.00 O ATOM 1896 CB LYS A 121 20.364 3.480 -15.554 1.00 0.00 C ATOM 1897 CG LYS A 121 21.674 2.831 -16.041 1.00 0.00 C ATOM 1898 CD LYS A 121 21.677 2.488 -17.539 1.00 0.00 C ATOM 1899 CE LYS A 121 20.789 1.267 -17.822 1.00 0.00 C ATOM 1900 NZ LYS A 121 21.038 0.677 -19.151 1.00 0.00 N ATOM 0 H LYS A 121 19.755 1.329 -14.499 1.00 0.00 H new ATOM 0 HA LYS A 121 21.022 3.724 -13.545 1.00 0.00 H new ATOM 0 HB2 LYS A 121 19.524 3.037 -16.090 1.00 0.00 H new ATOM 0 HB3 LYS A 121 20.376 4.541 -15.803 1.00 0.00 H new ATOM 0 HG2 LYS A 121 22.503 3.507 -15.831 1.00 0.00 H new ATOM 0 HG3 LYS A 121 21.852 1.920 -15.469 1.00 0.00 H new ATOM 0 HD2 LYS A 121 21.320 3.343 -18.113 1.00 0.00 H new ATOM 0 HD3 LYS A 121 22.696 2.286 -17.868 1.00 0.00 H new ATOM 0 HE2 LYS A 121 20.962 0.512 -17.056 1.00 0.00 H new ATOM 0 HE3 LYS A 121 19.742 1.560 -17.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 20.413 -0.142 -19.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 20.847 1.387 -19.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 22.030 0.370 -19.214 1.00 0.00 H new ATOM 1914 N GLU A 122 17.730 3.549 -13.872 1.00 0.00 N ATOM 1915 CA GLU A 122 16.471 4.152 -13.466 1.00 0.00 C ATOM 1916 C GLU A 122 16.364 4.265 -11.946 1.00 0.00 C ATOM 1917 O GLU A 122 15.900 5.287 -11.467 1.00 0.00 O ATOM 1918 CB GLU A 122 15.312 3.310 -14.005 1.00 0.00 C ATOM 1919 CG GLU A 122 14.003 4.096 -14.077 1.00 0.00 C ATOM 1920 CD GLU A 122 13.933 4.862 -15.388 1.00 0.00 C ATOM 1921 OE1 GLU A 122 13.594 4.228 -16.416 1.00 0.00 O ATOM 1922 OE2 GLU A 122 14.316 6.050 -15.408 1.00 0.00 O ATOM 0 H GLU A 122 17.621 2.687 -14.407 1.00 0.00 H new ATOM 0 HA GLU A 122 16.427 5.160 -13.877 1.00 0.00 H new ATOM 0 HB2 GLU A 122 15.566 2.941 -14.999 1.00 0.00 H new ATOM 0 HB3 GLU A 122 15.174 2.437 -13.367 1.00 0.00 H new ATOM 0 HG2 GLU A 122 13.155 3.416 -13.997 1.00 0.00 H new ATOM 0 HG3 GLU A 122 13.937 4.788 -13.237 1.00 0.00 H new ATOM 1929 N LEU A 123 16.841 3.239 -11.224 1.00 0.00 N ATOM 1930 CA LEU A 123 16.820 2.993 -9.773 1.00 0.00 C ATOM 1931 C LEU A 123 17.173 4.193 -8.896 1.00 0.00 C ATOM 1932 O LEU A 123 16.830 4.195 -7.713 1.00 0.00 O ATOM 1933 CB LEU A 123 17.727 1.772 -9.524 1.00 0.00 C ATOM 1934 CG LEU A 123 17.849 1.092 -8.156 1.00 0.00 C ATOM 1935 CD1 LEU A 123 18.869 1.755 -7.246 1.00 0.00 C ATOM 1936 CD2 LEU A 123 16.493 0.845 -7.493 1.00 0.00 C ATOM 0 H LEU A 123 17.307 2.468 -11.702 1.00 0.00 H new ATOM 0 HA LEU A 123 15.793 2.795 -9.465 1.00 0.00 H new ATOM 0 HB2 LEU A 123 17.409 1.001 -10.226 1.00 0.00 H new ATOM 0 HB3 LEU A 123 18.735 2.070 -9.813 1.00 0.00 H new ATOM 0 HG LEU A 123 18.256 0.100 -8.349 1.00 0.00 H new ATOM 0 HD11 LEU A 123 18.906 1.225 -6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 123 19.851 1.724 -7.717 1.00 0.00 H new ATOM 0 HD13 LEU A 123 18.582 2.792 -7.073 1.00 0.00 H new ATOM 0 HD21 LEU A 123 16.643 0.361 -6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 123 15.981 1.796 -7.347 1.00 0.00 H new ATOM 0 HD23 LEU A 123 15.888 0.201 -8.131 1.00 0.00 H new ATOM 1948 N GLU A 124 17.897 5.156 -9.446 1.00 0.00 N ATOM 1949 CA GLU A 124 18.260 6.413 -8.823 1.00 0.00 C ATOM 1950 C GLU A 124 17.028 7.033 -8.156 1.00 0.00 C ATOM 1951 O GLU A 124 15.934 7.061 -8.728 1.00 0.00 O ATOM 1952 CB GLU A 124 18.837 7.299 -9.939 1.00 0.00 C ATOM 1953 CG GLU A 124 20.262 6.799 -10.290 1.00 0.00 C ATOM 1954 CD GLU A 124 21.266 7.049 -9.146 1.00 0.00 C ATOM 1955 OE1 GLU A 124 21.027 7.961 -8.312 1.00 0.00 O ATOM 1956 OE2 GLU A 124 22.259 6.292 -9.034 1.00 0.00 O ATOM 0 H GLU A 124 18.266 5.073 -10.393 1.00 0.00 H new ATOM 0 HA GLU A 124 19.003 6.289 -8.035 1.00 0.00 H new ATOM 0 HB2 GLU A 124 18.196 7.261 -10.820 1.00 0.00 H new ATOM 0 HB3 GLU A 124 18.872 8.339 -9.615 1.00 0.00 H new ATOM 0 HG2 GLU A 124 20.226 5.733 -10.513 1.00 0.00 H new ATOM 0 HG3 GLU A 124 20.610 7.302 -11.192 1.00 0.00 H new ATOM 1963 N GLU A 125 17.190 7.541 -6.930 1.00 0.00 N ATOM 1964 CA GLU A 125 16.061 8.074 -6.175 1.00 0.00 C ATOM 1965 C GLU A 125 15.433 9.290 -6.840 1.00 0.00 C ATOM 1966 O GLU A 125 14.332 9.681 -6.448 1.00 0.00 O ATOM 1967 CB GLU A 125 16.449 8.435 -4.735 1.00 0.00 C ATOM 1968 CG GLU A 125 16.707 7.208 -3.864 1.00 0.00 C ATOM 1969 CD GLU A 125 16.057 7.360 -2.495 1.00 0.00 C ATOM 1970 OE1 GLU A 125 16.687 7.923 -1.571 1.00 0.00 O ATOM 1971 OE2 GLU A 125 14.896 6.919 -2.322 1.00 0.00 O ATOM 0 H GLU A 125 18.086 7.593 -6.446 1.00 0.00 H new ATOM 0 HA GLU A 125 15.324 7.271 -6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 125 17.343 9.058 -4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 125 15.653 9.031 -4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 125 16.316 6.319 -4.359 1.00 0.00 H new ATOM 0 HG3 GLU A 125 17.781 7.061 -3.746 1.00 0.00 H new ATOM 1978 N ASP A 126 16.095 9.910 -7.823 1.00 0.00 N ATOM 1979 CA ASP A 126 15.588 11.107 -8.455 1.00 0.00 C ATOM 1980 C ASP A 126 14.208 10.850 -9.054 1.00 0.00 C ATOM 1981 O ASP A 126 13.258 11.543 -8.660 1.00 0.00 O ATOM 1982 CB ASP A 126 16.556 11.685 -9.490 1.00 0.00 C ATOM 1983 CG ASP A 126 16.212 13.160 -9.695 1.00 0.00 C ATOM 1984 OD1 ASP A 126 15.191 13.488 -10.336 1.00 0.00 O ATOM 1985 OD2 ASP A 126 16.921 13.993 -9.082 1.00 0.00 O ATOM 0 H ASP A 126 16.990 9.590 -8.192 1.00 0.00 H new ATOM 0 HA ASP A 126 15.491 11.867 -7.680 1.00 0.00 H new ATOM 0 HB2 ASP A 126 17.586 11.579 -9.148 1.00 0.00 H new ATOM 0 HB3 ASP A 126 16.475 11.141 -10.431 1.00 0.00 H new ATOM 1990 N PHE A 127 14.037 9.840 -9.935 1.00 0.00 N ATOM 1991 CA PHE A 127 12.691 9.731 -10.520 1.00 0.00 C ATOM 1992 C PHE A 127 11.730 9.163 -9.478 1.00 0.00 C ATOM 1993 O PHE A 127 10.546 9.496 -9.513 1.00 0.00 O ATOM 1994 CB PHE A 127 12.549 8.884 -11.798 1.00 0.00 C ATOM 1995 CG PHE A 127 12.409 7.372 -11.688 1.00 0.00 C ATOM 1996 CD1 PHE A 127 13.277 6.583 -10.914 1.00 0.00 C ATOM 1997 CD2 PHE A 127 11.323 6.755 -12.337 1.00 0.00 C ATOM 1998 CE1 PHE A 127 13.035 5.203 -10.771 1.00 0.00 C ATOM 1999 CE2 PHE A 127 11.090 5.375 -12.211 1.00 0.00 C ATOM 2000 CZ PHE A 127 11.947 4.597 -11.419 1.00 0.00 C ATOM 0 H PHE A 127 14.734 9.157 -10.231 1.00 0.00 H new ATOM 0 HA PHE A 127 12.458 10.752 -10.821 1.00 0.00 H new ATOM 0 HB2 PHE A 127 11.678 9.253 -12.339 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.420 9.086 -12.421 1.00 0.00 H new ATOM 0 HD1 PHE A 127 14.130 7.035 -10.429 1.00 0.00 H new ATOM 0 HD2 PHE A 127 10.657 7.353 -12.942 1.00 0.00 H new ATOM 0 HE1 PHE A 127 13.693 4.605 -10.157 1.00 0.00 H new ATOM 0 HE2 PHE A 127 10.256 4.916 -12.721 1.00 0.00 H new ATOM 0 HZ PHE A 127 11.771 3.537 -11.308 1.00 0.00 H new ATOM 2010 N ILE A 128 12.236 8.381 -8.514 1.00 0.00 N ATOM 2011 CA ILE A 128 11.426 7.776 -7.465 1.00 0.00 C ATOM 2012 C ILE A 128 10.763 8.894 -6.678 1.00 0.00 C ATOM 2013 O ILE A 128 9.566 8.828 -6.422 1.00 0.00 O ATOM 2014 CB ILE A 128 12.244 6.835 -6.556 1.00 0.00 C ATOM 2015 CG1 ILE A 128 12.615 5.569 -7.347 1.00 0.00 C ATOM 2016 CG2 ILE A 128 11.482 6.432 -5.279 1.00 0.00 C ATOM 2017 CD1 ILE A 128 13.541 4.635 -6.573 1.00 0.00 C ATOM 0 H ILE A 128 13.228 8.153 -8.446 1.00 0.00 H new ATOM 0 HA ILE A 128 10.664 7.142 -7.919 1.00 0.00 H new ATOM 0 HB ILE A 128 13.137 7.376 -6.243 1.00 0.00 H new ATOM 0 HG12 ILE A 128 11.704 5.032 -7.612 1.00 0.00 H new ATOM 0 HG13 ILE A 128 13.097 5.858 -8.281 1.00 0.00 H new ATOM 0 HG21 ILE A 128 12.105 5.770 -4.677 1.00 0.00 H new ATOM 0 HG22 ILE A 128 11.240 7.325 -4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 128 10.562 5.915 -5.552 1.00 0.00 H new ATOM 0 HD11 ILE A 128 13.767 3.760 -7.182 1.00 0.00 H new ATOM 0 HD12 ILE A 128 14.466 5.158 -6.331 1.00 0.00 H new ATOM 0 HD13 ILE A 128 13.052 4.319 -5.652 1.00 0.00 H new ATOM 2029 N LYS A 129 11.514 9.932 -6.308 1.00 0.00 N ATOM 2030 CA LYS A 129 10.976 11.070 -5.586 1.00 0.00 C ATOM 2031 C LYS A 129 9.834 11.696 -6.365 1.00 0.00 C ATOM 2032 O LYS A 129 8.765 11.876 -5.794 1.00 0.00 O ATOM 2033 CB LYS A 129 12.090 12.090 -5.303 1.00 0.00 C ATOM 2034 CG LYS A 129 12.896 11.650 -4.076 1.00 0.00 C ATOM 2035 CD LYS A 129 14.106 12.525 -3.758 1.00 0.00 C ATOM 2036 CE LYS A 129 15.225 12.323 -4.780 1.00 0.00 C ATOM 2037 NZ LYS A 129 16.527 12.703 -4.212 1.00 0.00 N ATOM 0 H LYS A 129 12.513 10.001 -6.504 1.00 0.00 H new ATOM 0 HA LYS A 129 10.579 10.732 -4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.746 12.176 -6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.658 13.076 -5.132 1.00 0.00 H new ATOM 0 HG2 LYS A 129 12.235 11.639 -3.209 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.236 10.626 -4.230 1.00 0.00 H new ATOM 0 HD2 LYS A 129 13.806 13.573 -3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.476 12.289 -2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.251 11.280 -5.095 1.00 0.00 H new ATOM 0 HE3 LYS A 129 15.023 12.920 -5.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 17.272 12.558 -4.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 16.505 13.705 -3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 16.726 12.116 -3.377 1.00 0.00 H new ATOM 2051 N SER A 130 10.037 12.036 -7.638 1.00 0.00 N ATOM 2052 CA SER A 130 9.019 12.688 -8.456 1.00 0.00 C ATOM 2053 C SER A 130 7.792 11.783 -8.600 1.00 0.00 C ATOM 2054 O SER A 130 6.661 12.249 -8.469 1.00 0.00 O ATOM 2055 CB SER A 130 9.642 13.067 -9.800 1.00 0.00 C ATOM 2056 OG SER A 130 8.755 13.774 -10.644 1.00 0.00 O ATOM 0 H SER A 130 10.914 11.866 -8.130 1.00 0.00 H new ATOM 0 HA SER A 130 8.667 13.602 -7.978 1.00 0.00 H new ATOM 0 HB2 SER A 130 10.529 13.676 -9.624 1.00 0.00 H new ATOM 0 HB3 SER A 130 9.973 12.161 -10.308 1.00 0.00 H new ATOM 0 HG SER A 130 9.207 13.990 -11.486 1.00 0.00 H new ATOM 2062 N GLU A 131 7.994 10.485 -8.809 1.00 0.00 N ATOM 2063 CA GLU A 131 6.921 9.507 -8.906 1.00 0.00 C ATOM 2064 C GLU A 131 6.160 9.440 -7.578 1.00 0.00 C ATOM 2065 O GLU A 131 4.952 9.624 -7.564 1.00 0.00 O ATOM 2066 CB GLU A 131 7.511 8.171 -9.375 1.00 0.00 C ATOM 2067 CG GLU A 131 6.547 6.975 -9.389 1.00 0.00 C ATOM 2068 CD GLU A 131 5.137 7.267 -9.920 1.00 0.00 C ATOM 2069 OE1 GLU A 131 4.974 7.486 -11.140 1.00 0.00 O ATOM 2070 OE2 GLU A 131 4.154 7.176 -9.152 1.00 0.00 O ATOM 0 H GLU A 131 8.924 10.079 -8.917 1.00 0.00 H new ATOM 0 HA GLU A 131 6.179 9.795 -9.651 1.00 0.00 H new ATOM 0 HB2 GLU A 131 7.906 8.305 -10.382 1.00 0.00 H new ATOM 0 HB3 GLU A 131 8.355 7.924 -8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 131 6.987 6.183 -9.995 1.00 0.00 H new ATOM 0 HG3 GLU A 131 6.461 6.589 -8.373 1.00 0.00 H new ATOM 2077 N LEU A 132 6.828 9.271 -6.436 1.00 0.00 N ATOM 2078 CA LEU A 132 6.169 9.221 -5.129 1.00 0.00 C ATOM 2079 C LEU A 132 5.481 10.551 -4.791 1.00 0.00 C ATOM 2080 O LEU A 132 4.454 10.558 -4.104 1.00 0.00 O ATOM 2081 CB LEU A 132 7.165 8.811 -4.036 1.00 0.00 C ATOM 2082 CG LEU A 132 7.670 7.358 -4.165 1.00 0.00 C ATOM 2083 CD1 LEU A 132 8.770 7.122 -3.130 1.00 0.00 C ATOM 2084 CD2 LEU A 132 6.557 6.319 -3.965 1.00 0.00 C ATOM 0 H LEU A 132 7.841 9.165 -6.391 1.00 0.00 H new ATOM 0 HA LEU A 132 5.389 8.462 -5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 132 8.020 9.487 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 132 6.693 8.936 -3.062 1.00 0.00 H new ATOM 0 HG LEU A 132 8.048 7.232 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 132 9.134 6.098 -3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 132 9.592 7.815 -3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 132 8.369 7.285 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 132 6.972 5.316 -4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.127 6.434 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 132 5.781 6.468 -4.715 1.00 0.00 H new ATOM 2096 N LYS A 133 6.024 11.677 -5.261 1.00 0.00 N ATOM 2097 CA LYS A 133 5.457 13.017 -5.119 1.00 0.00 C ATOM 2098 C LYS A 133 4.142 13.057 -5.897 1.00 0.00 C ATOM 2099 O LYS A 133 3.126 13.507 -5.356 1.00 0.00 O ATOM 2100 CB LYS A 133 6.476 14.057 -5.631 1.00 0.00 C ATOM 2101 CG LYS A 133 7.578 14.389 -4.603 1.00 0.00 C ATOM 2102 CD LYS A 133 7.480 15.793 -3.993 1.00 0.00 C ATOM 2103 CE LYS A 133 7.667 16.919 -5.021 1.00 0.00 C ATOM 2104 NZ LYS A 133 8.962 16.864 -5.729 1.00 0.00 N ATOM 0 H LYS A 133 6.907 11.678 -5.772 1.00 0.00 H new ATOM 0 HA LYS A 133 5.248 13.258 -4.077 1.00 0.00 H new ATOM 0 HB2 LYS A 133 6.941 13.682 -6.543 1.00 0.00 H new ATOM 0 HB3 LYS A 133 5.948 14.973 -5.896 1.00 0.00 H new ATOM 0 HG2 LYS A 133 7.540 13.654 -3.799 1.00 0.00 H new ATOM 0 HG3 LYS A 133 8.550 14.284 -5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 133 6.507 15.906 -3.514 1.00 0.00 H new ATOM 0 HD3 LYS A 133 8.233 15.895 -3.212 1.00 0.00 H new ATOM 0 HE2 LYS A 133 6.860 16.870 -5.752 1.00 0.00 H new ATOM 0 HE3 LYS A 133 7.580 17.880 -4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 9.057 17.697 -6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 9.737 16.855 -5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 9.005 16.001 -6.307 1.00 0.00 H new ATOM 2118 N LYS A 134 4.136 12.578 -7.145 1.00 0.00 N ATOM 2119 CA LYS A 134 2.934 12.470 -7.969 1.00 0.00 C ATOM 2120 C LYS A 134 1.943 11.514 -7.294 1.00 0.00 C ATOM 2121 O LYS A 134 0.749 11.819 -7.233 1.00 0.00 O ATOM 2122 CB LYS A 134 3.302 11.956 -9.373 1.00 0.00 C ATOM 2123 CG LYS A 134 4.058 12.964 -10.249 1.00 0.00 C ATOM 2124 CD LYS A 134 4.840 12.250 -11.366 1.00 0.00 C ATOM 2125 CE LYS A 134 5.579 13.219 -12.294 1.00 0.00 C ATOM 2126 NZ LYS A 134 4.649 14.032 -13.102 1.00 0.00 N ATOM 0 H LYS A 134 4.980 12.250 -7.615 1.00 0.00 H new ATOM 0 HA LYS A 134 2.472 13.452 -8.072 1.00 0.00 H new ATOM 0 HB2 LYS A 134 3.911 11.058 -9.268 1.00 0.00 H new ATOM 0 HB3 LYS A 134 2.388 11.662 -9.888 1.00 0.00 H new ATOM 0 HG2 LYS A 134 3.353 13.670 -10.688 1.00 0.00 H new ATOM 0 HG3 LYS A 134 4.746 13.543 -9.632 1.00 0.00 H new ATOM 0 HD2 LYS A 134 5.560 11.565 -10.917 1.00 0.00 H new ATOM 0 HD3 LYS A 134 4.150 11.646 -11.956 1.00 0.00 H new ATOM 0 HE2 LYS A 134 6.213 13.877 -11.700 1.00 0.00 H new ATOM 0 HE3 LYS A 134 6.237 12.656 -12.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 5.191 14.625 -13.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 4.016 13.405 -13.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 4.085 14.640 -12.475 1.00 0.00 H new ATOM 2140 N ALA A 135 2.430 10.400 -6.743 1.00 0.00 N ATOM 2141 CA ALA A 135 1.645 9.341 -6.128 1.00 0.00 C ATOM 2142 C ALA A 135 0.932 9.790 -4.856 1.00 0.00 C ATOM 2143 O ALA A 135 -0.073 9.166 -4.521 1.00 0.00 O ATOM 2144 CB ALA A 135 2.548 8.151 -5.792 1.00 0.00 C ATOM 0 H ALA A 135 3.431 10.208 -6.715 1.00 0.00 H new ATOM 0 HA ALA A 135 0.882 9.059 -6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.954 7.362 -5.332 1.00 0.00 H new ATOM 0 HB2 ALA A 135 3.007 7.773 -6.706 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.327 8.469 -5.099 1.00 0.00 H new