USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 493 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 Single : A 62 THR OG1 : rot 180:sc= 0.485 USER MOD Single : A 65 GLN : amide:sc= -0.236 X(o=-0.24,f=0) USER MOD Single : A 66 MET CE :methyl 132:sc= -0.734 (180deg=-1.96!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 152:sc= -0.86 (180deg=-1.59) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot -170:sc= 1.23 USER MOD Single : A 95 SER OG : rot 8:sc= 0.603! USER MOD Single : A 96 LYS NZ :NH3+ -169:sc=-0.00635 (180deg=-0.23) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 93:sc= 0.78 USER MOD Single : A 107 ASN : amide:sc= -0.294 K(o=-0.29,f=-1.5!) USER MOD Single : A 108 THR OG1 : rot -64:sc= 1.16 USER MOD Single : A 109 SER OG : rot 81:sc= -0.603! USER MOD Single : A 110 CYS SG : rot -48:sc= -0.276 USER MOD Single : A 118 CYS SG : rot 180:sc= -0.599 USER MOD Single : A 123 HIS :FLIP no HD1:sc= -0.865 F(o=-2.5!,f=-0.86) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 HIS : no HE2:sc= -1.51 K(o=-1.5,f=-2.5!) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N THR A 62 -12.073 -1.632 -5.100 1.00 0.00 N ATOM 79 CA THR A 62 -12.423 -2.581 -4.046 1.00 0.00 C ATOM 80 C THR A 62 -11.195 -2.896 -3.190 1.00 0.00 C ATOM 81 O THR A 62 -10.072 -2.904 -3.694 1.00 0.00 O ATOM 82 CB THR A 62 -12.960 -3.874 -4.669 1.00 0.00 C ATOM 83 OG1 THR A 62 -11.872 -4.739 -4.968 1.00 0.00 O ATOM 84 CG2 THR A 62 -13.720 -3.546 -5.956 1.00 0.00 C ATOM 0 HA THR A 62 -13.192 -2.136 -3.414 1.00 0.00 H new ATOM 0 HB THR A 62 -13.634 -4.364 -3.967 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.212 -5.568 -5.365 1.00 0.00 H new ATOM 0 HG21 THR A 62 -14.101 -4.466 -6.398 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.553 -2.881 -5.727 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.048 -3.056 -6.661 1.00 0.00 H new ATOM 92 N PRO A 63 -11.382 -3.148 -1.918 1.00 0.00 N ATOM 93 CA PRO A 63 -10.254 -3.458 -0.989 1.00 0.00 C ATOM 94 C PRO A 63 -9.507 -4.726 -1.401 1.00 0.00 C ATOM 95 O PRO A 63 -8.290 -4.822 -1.234 1.00 0.00 O ATOM 96 CB PRO A 63 -10.928 -3.631 0.382 1.00 0.00 C ATOM 97 CG PRO A 63 -12.373 -3.880 0.092 1.00 0.00 C ATOM 98 CD PRO A 63 -12.679 -3.170 -1.224 1.00 0.00 C ATOM 0 HA PRO A 63 -9.499 -2.671 -0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.490 -4.464 0.932 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.800 -2.740 0.997 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -12.574 -4.948 0.012 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -13.002 -3.496 0.895 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.433 -3.705 -1.802 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -13.061 -2.163 -1.056 1.00 0.00 H new ATOM 106 N GLU A 64 -10.240 -5.691 -1.944 1.00 0.00 N ATOM 107 CA GLU A 64 -9.630 -6.941 -2.382 1.00 0.00 C ATOM 108 C GLU A 64 -8.797 -6.711 -3.639 1.00 0.00 C ATOM 109 O GLU A 64 -7.690 -7.231 -3.768 1.00 0.00 O ATOM 110 CB GLU A 64 -10.714 -7.982 -2.668 1.00 0.00 C ATOM 111 CG GLU A 64 -10.058 -9.323 -3.002 1.00 0.00 C ATOM 112 CD GLU A 64 -11.105 -10.434 -2.982 1.00 0.00 C ATOM 113 OE1 GLU A 64 -11.874 -10.477 -2.036 1.00 0.00 O ATOM 114 OE2 GLU A 64 -11.121 -11.223 -3.911 1.00 0.00 O ATOM 0 H GLU A 64 -11.248 -5.634 -2.091 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.980 -7.307 -1.587 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.367 -8.090 -1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.338 -7.654 -3.499 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.587 -9.273 -3.984 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.270 -9.541 -2.282 1.00 0.00 H new ATOM 121 N GLN A 65 -9.340 -5.921 -4.561 1.00 0.00 N ATOM 122 CA GLN A 65 -8.641 -5.622 -5.805 1.00 0.00 C ATOM 123 C GLN A 65 -7.301 -4.953 -5.515 1.00 0.00 C ATOM 124 O GLN A 65 -6.263 -5.377 -6.024 1.00 0.00 O ATOM 125 CB GLN A 65 -9.497 -4.702 -6.678 1.00 0.00 C ATOM 126 CG GLN A 65 -8.727 -4.341 -7.950 1.00 0.00 C ATOM 127 CD GLN A 65 -9.661 -3.670 -8.951 1.00 0.00 C ATOM 128 OE1 GLN A 65 -9.566 -3.918 -10.152 1.00 0.00 O ATOM 129 NE2 GLN A 65 -10.563 -2.829 -8.524 1.00 0.00 N ATOM 0 H GLN A 65 -10.255 -5.480 -4.471 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.461 -6.557 -6.335 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.434 -5.196 -6.936 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.755 -3.797 -6.127 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.900 -3.674 -7.708 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.293 -5.239 -8.390 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.639 -2.625 -7.527 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.192 -2.375 -9.187 1.00 0.00 H new ATOM 138 N MET A 66 -7.331 -3.908 -4.694 1.00 0.00 N ATOM 139 CA MET A 66 -6.108 -3.192 -4.347 1.00 0.00 C ATOM 140 C MET A 66 -5.172 -4.094 -3.547 1.00 0.00 C ATOM 141 O MET A 66 -3.953 -4.029 -3.698 1.00 0.00 O ATOM 142 CB MET A 66 -6.443 -1.941 -3.528 1.00 0.00 C ATOM 143 CG MET A 66 -7.186 -2.342 -2.256 1.00 0.00 C ATOM 144 SD MET A 66 -7.601 -0.857 -1.303 1.00 0.00 S ATOM 145 CE MET A 66 -8.712 -0.098 -2.515 1.00 0.00 C ATOM 0 H MET A 66 -8.178 -3.541 -4.261 1.00 0.00 H new ATOM 0 HA MET A 66 -5.609 -2.894 -5.269 1.00 0.00 H new ATOM 0 HB2 MET A 66 -5.528 -1.406 -3.273 1.00 0.00 H new ATOM 0 HB3 MET A 66 -7.056 -1.261 -4.119 1.00 0.00 H new ATOM 0 HG2 MET A 66 -8.094 -2.889 -2.510 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.568 -3.010 -1.657 1.00 0.00 H new ATOM 0 HE1 MET A 66 -9.630 0.218 -2.019 1.00 0.00 H new ATOM 0 HE2 MET A 66 -8.225 0.768 -2.963 1.00 0.00 H new ATOM 0 HE3 MET A 66 -8.951 -0.823 -3.293 1.00 0.00 H new ATOM 155 N ALA A 67 -5.752 -4.937 -2.699 1.00 0.00 N ATOM 156 CA ALA A 67 -4.958 -5.848 -1.882 1.00 0.00 C ATOM 157 C ALA A 67 -4.122 -6.758 -2.771 1.00 0.00 C ATOM 158 O ALA A 67 -2.970 -7.063 -2.459 1.00 0.00 O ATOM 159 CB ALA A 67 -5.878 -6.694 -1.000 1.00 0.00 C ATOM 0 H ALA A 67 -6.760 -5.009 -2.560 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.293 -5.261 -1.249 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.278 -7.372 -0.393 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.459 -6.041 -0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.554 -7.273 -1.629 1.00 0.00 H new ATOM 165 N LYS A 68 -4.710 -7.187 -3.880 1.00 0.00 N ATOM 166 CA LYS A 68 -4.017 -8.062 -4.815 1.00 0.00 C ATOM 167 C LYS A 68 -2.954 -7.287 -5.592 1.00 0.00 C ATOM 168 O LYS A 68 -1.812 -7.730 -5.708 1.00 0.00 O ATOM 169 CB LYS A 68 -5.025 -8.674 -5.792 1.00 0.00 C ATOM 170 CG LYS A 68 -5.744 -9.846 -5.121 1.00 0.00 C ATOM 171 CD LYS A 68 -6.831 -10.385 -6.054 1.00 0.00 C ATOM 172 CE LYS A 68 -6.193 -10.921 -7.340 1.00 0.00 C ATOM 173 NZ LYS A 68 -7.091 -11.940 -7.952 1.00 0.00 N ATOM 0 H LYS A 68 -5.662 -6.944 -4.153 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.526 -8.855 -4.251 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.749 -7.920 -6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.513 -9.015 -6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.031 -10.635 -4.883 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.187 -9.523 -4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.390 -11.178 -5.557 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.543 -9.595 -6.292 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.021 -10.104 -8.041 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.221 -11.362 -7.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.659 -12.304 -8.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.234 -12.724 -7.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.009 -11.505 -8.176 1.00 0.00 H new ATOM 187 N GLU A 69 -3.342 -6.130 -6.126 1.00 0.00 N ATOM 188 CA GLU A 69 -2.418 -5.303 -6.897 1.00 0.00 C ATOM 189 C GLU A 69 -1.239 -4.854 -6.037 1.00 0.00 C ATOM 190 O GLU A 69 -0.105 -4.775 -6.512 1.00 0.00 O ATOM 191 CB GLU A 69 -3.149 -4.074 -7.442 1.00 0.00 C ATOM 192 CG GLU A 69 -4.175 -4.513 -8.488 1.00 0.00 C ATOM 193 CD GLU A 69 -4.795 -3.289 -9.156 1.00 0.00 C ATOM 194 OE1 GLU A 69 -4.166 -2.243 -9.128 1.00 0.00 O ATOM 195 OE2 GLU A 69 -5.886 -3.417 -9.685 1.00 0.00 O ATOM 0 H GLU A 69 -4.283 -5.747 -6.039 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.037 -5.901 -7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.646 -3.543 -6.630 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.435 -3.380 -7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.696 -5.143 -9.237 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.953 -5.114 -8.017 1.00 0.00 H new ATOM 202 N MET A 70 -1.509 -4.561 -4.772 1.00 0.00 N ATOM 203 CA MET A 70 -0.455 -4.124 -3.864 1.00 0.00 C ATOM 204 C MET A 70 0.490 -5.282 -3.557 1.00 0.00 C ATOM 205 O MET A 70 1.700 -5.183 -3.769 1.00 0.00 O ATOM 206 CB MET A 70 -1.070 -3.604 -2.561 1.00 0.00 C ATOM 207 CG MET A 70 -1.628 -2.193 -2.774 1.00 0.00 C ATOM 208 SD MET A 70 -2.020 -1.450 -1.168 1.00 0.00 S ATOM 209 CE MET A 70 -3.655 -2.193 -0.947 1.00 0.00 C ATOM 0 H MET A 70 -2.438 -4.617 -4.354 1.00 0.00 H new ATOM 0 HA MET A 70 0.108 -3.322 -4.342 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.865 -4.273 -2.232 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.317 -3.592 -1.773 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.900 -1.578 -3.303 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.522 -2.234 -3.396 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.868 -2.293 0.117 1.00 0.00 H new ATOM 0 HE2 MET A 70 -4.409 -1.557 -1.410 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.674 -3.177 -1.415 1.00 0.00 H new ATOM 219 N SER A 71 -0.070 -6.373 -3.052 1.00 0.00 N ATOM 220 CA SER A 71 0.728 -7.545 -2.710 1.00 0.00 C ATOM 221 C SER A 71 1.698 -7.896 -3.837 1.00 0.00 C ATOM 222 O SER A 71 2.897 -8.048 -3.606 1.00 0.00 O ATOM 223 CB SER A 71 -0.188 -8.735 -2.431 1.00 0.00 C ATOM 224 OG SER A 71 0.559 -9.940 -2.545 1.00 0.00 O ATOM 0 H SER A 71 -1.069 -6.472 -2.870 1.00 0.00 H new ATOM 0 HA SER A 71 1.307 -7.313 -1.816 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.617 -8.652 -1.432 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.020 -8.741 -3.135 1.00 0.00 H new ATOM 0 HG SER A 71 -0.026 -10.706 -2.365 1.00 0.00 H new ATOM 230 N GLU A 72 1.177 -8.031 -5.055 1.00 0.00 N ATOM 231 CA GLU A 72 2.027 -8.373 -6.192 1.00 0.00 C ATOM 232 C GLU A 72 3.056 -7.274 -6.446 1.00 0.00 C ATOM 233 O GLU A 72 4.222 -7.562 -6.714 1.00 0.00 O ATOM 234 CB GLU A 72 1.179 -8.600 -7.450 1.00 0.00 C ATOM 235 CG GLU A 72 0.472 -7.305 -7.842 1.00 0.00 C ATOM 236 CD GLU A 72 -0.491 -7.566 -8.995 1.00 0.00 C ATOM 237 OE1 GLU A 72 -1.305 -8.466 -8.868 1.00 0.00 O ATOM 238 OE2 GLU A 72 -0.401 -6.863 -9.988 1.00 0.00 O ATOM 0 H GLU A 72 0.189 -7.911 -5.277 1.00 0.00 H new ATOM 0 HA GLU A 72 2.555 -9.296 -5.954 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.812 -8.941 -8.269 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.445 -9.384 -7.267 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.072 -6.904 -6.987 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.206 -6.554 -8.133 1.00 0.00 H new ATOM 245 N PHE A 73 2.630 -6.016 -6.353 1.00 0.00 N ATOM 246 CA PHE A 73 3.549 -4.903 -6.572 1.00 0.00 C ATOM 247 C PHE A 73 4.830 -5.121 -5.773 1.00 0.00 C ATOM 248 O PHE A 73 5.934 -5.026 -6.312 1.00 0.00 O ATOM 249 CB PHE A 73 2.888 -3.578 -6.150 1.00 0.00 C ATOM 250 CG PHE A 73 2.561 -2.746 -7.371 1.00 0.00 C ATOM 251 CD1 PHE A 73 3.572 -2.404 -8.279 1.00 0.00 C ATOM 252 CD2 PHE A 73 1.247 -2.319 -7.598 1.00 0.00 C ATOM 253 CE1 PHE A 73 3.269 -1.636 -9.408 1.00 0.00 C ATOM 254 CE2 PHE A 73 0.944 -1.551 -8.727 1.00 0.00 C ATOM 255 CZ PHE A 73 1.955 -1.211 -9.633 1.00 0.00 C ATOM 0 H PHE A 73 1.672 -5.745 -6.132 1.00 0.00 H new ATOM 0 HA PHE A 73 3.794 -4.853 -7.633 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.978 -3.781 -5.585 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.556 -3.023 -5.491 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.586 -2.734 -8.107 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.466 -2.583 -6.900 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.049 -1.371 -10.106 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.070 -1.221 -8.900 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.721 -0.620 -10.506 1.00 0.00 H new ATOM 265 N LEU A 74 4.678 -5.417 -4.484 1.00 0.00 N ATOM 266 CA LEU A 74 5.834 -5.650 -3.624 1.00 0.00 C ATOM 267 C LEU A 74 6.606 -6.880 -4.091 1.00 0.00 C ATOM 268 O LEU A 74 7.826 -6.837 -4.247 1.00 0.00 O ATOM 269 CB LEU A 74 5.383 -5.854 -2.176 1.00 0.00 C ATOM 270 CG LEU A 74 4.379 -4.767 -1.787 1.00 0.00 C ATOM 271 CD1 LEU A 74 4.059 -4.878 -0.295 1.00 0.00 C ATOM 272 CD2 LEU A 74 4.976 -3.387 -2.078 1.00 0.00 C ATOM 0 H LEU A 74 3.775 -5.500 -4.017 1.00 0.00 H new ATOM 0 HA LEU A 74 6.484 -4.777 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.929 -6.838 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.245 -5.821 -1.509 1.00 0.00 H new ATOM 0 HG LEU A 74 3.465 -4.896 -2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.344 -4.104 -0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.631 -5.859 -0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.974 -4.751 0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.259 -2.614 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.891 -3.257 -1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.203 -3.306 -3.141 1.00 0.00 H new ATOM 284 N SER A 75 5.886 -7.976 -4.310 1.00 0.00 N ATOM 285 CA SER A 75 6.513 -9.214 -4.758 1.00 0.00 C ATOM 286 C SER A 75 7.497 -8.940 -5.890 1.00 0.00 C ATOM 287 O SER A 75 8.601 -9.488 -5.912 1.00 0.00 O ATOM 288 CB SER A 75 5.445 -10.198 -5.235 1.00 0.00 C ATOM 289 OG SER A 75 6.033 -11.480 -5.415 1.00 0.00 O ATOM 0 H SER A 75 4.875 -8.032 -4.186 1.00 0.00 H new ATOM 0 HA SER A 75 7.056 -9.647 -3.918 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.636 -10.255 -4.507 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.007 -9.851 -6.171 1.00 0.00 H new ATOM 0 HG SER A 75 5.350 -12.113 -5.719 1.00 0.00 H new ATOM 295 N ARG A 76 7.093 -8.092 -6.829 1.00 0.00 N ATOM 296 CA ARG A 76 7.949 -7.755 -7.960 1.00 0.00 C ATOM 297 C ARG A 76 9.036 -6.771 -7.539 1.00 0.00 C ATOM 298 O ARG A 76 10.177 -6.862 -7.992 1.00 0.00 O ATOM 299 CB ARG A 76 7.112 -7.143 -9.086 1.00 0.00 C ATOM 300 CG ARG A 76 6.107 -8.182 -9.610 1.00 0.00 C ATOM 301 CD ARG A 76 5.955 -8.031 -11.124 1.00 0.00 C ATOM 302 NE ARG A 76 7.187 -8.429 -11.797 1.00 0.00 N ATOM 303 CZ ARG A 76 7.465 -8.008 -13.025 1.00 0.00 C ATOM 304 NH1 ARG A 76 6.630 -7.226 -13.652 1.00 0.00 N ATOM 305 NH2 ARG A 76 8.576 -8.375 -13.606 1.00 0.00 N ATOM 0 H ARG A 76 6.185 -7.628 -6.830 1.00 0.00 H new ATOM 0 HA ARG A 76 8.423 -8.670 -8.315 1.00 0.00 H new ATOM 0 HB2 ARG A 76 6.583 -6.263 -8.721 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.762 -6.811 -9.896 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.449 -9.188 -9.367 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.142 -8.047 -9.122 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.125 -8.644 -11.476 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.715 -6.997 -11.371 1.00 0.00 H new ATOM 0 HE ARG A 76 7.846 -9.041 -11.316 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.763 -6.938 -13.199 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.844 -6.903 -14.595 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.230 -8.985 -13.116 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.789 -8.051 -14.549 1.00 0.00 H new ATOM 526 N TYR A 92 10.155 9.031 5.185 1.00 0.00 N ATOM 527 CA TYR A 92 9.106 9.520 4.291 1.00 0.00 C ATOM 528 C TYR A 92 7.734 9.083 4.793 1.00 0.00 C ATOM 529 O TYR A 92 7.397 7.900 4.758 1.00 0.00 O ATOM 530 CB TYR A 92 9.331 8.971 2.878 1.00 0.00 C ATOM 531 CG TYR A 92 10.312 9.849 2.136 1.00 0.00 C ATOM 532 CD1 TYR A 92 9.887 11.064 1.588 1.00 0.00 C ATOM 533 CD2 TYR A 92 11.645 9.446 1.996 1.00 0.00 C ATOM 534 CE1 TYR A 92 10.794 11.877 0.897 1.00 0.00 C ATOM 535 CE2 TYR A 92 12.552 10.258 1.305 1.00 0.00 C ATOM 536 CZ TYR A 92 12.127 11.474 0.756 1.00 0.00 C ATOM 537 OH TYR A 92 13.021 12.276 0.076 1.00 0.00 O ATOM 0 HA TYR A 92 9.146 10.609 4.270 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.711 7.951 2.931 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.385 8.931 2.339 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.859 11.375 1.698 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.974 8.509 2.421 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.465 12.814 0.473 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.580 9.946 1.195 1.00 0.00 H new ATOM 0 HH TYR A 92 13.856 11.785 -0.069 1.00 0.00 H new ATOM 547 N ASP A 93 6.943 10.048 5.254 1.00 0.00 N ATOM 548 CA ASP A 93 5.604 9.750 5.754 1.00 0.00 C ATOM 549 C ASP A 93 4.564 10.035 4.676 1.00 0.00 C ATOM 550 O ASP A 93 4.116 11.170 4.514 1.00 0.00 O ATOM 551 CB ASP A 93 5.308 10.603 6.988 1.00 0.00 C ATOM 552 CG ASP A 93 6.485 10.547 7.956 1.00 0.00 C ATOM 553 OD1 ASP A 93 6.510 9.645 8.777 1.00 0.00 O ATOM 554 OD2 ASP A 93 7.346 11.407 7.861 1.00 0.00 O ATOM 0 H ASP A 93 7.202 11.034 5.292 1.00 0.00 H new ATOM 0 HA ASP A 93 5.558 8.695 6.024 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.120 11.635 6.690 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.404 10.244 7.480 1.00 0.00 H new ATOM 559 N LEU A 94 4.185 8.994 3.937 1.00 0.00 N ATOM 560 CA LEU A 94 3.196 9.144 2.873 1.00 0.00 C ATOM 561 C LEU A 94 1.822 8.683 3.349 1.00 0.00 C ATOM 562 O LEU A 94 0.939 8.394 2.542 1.00 0.00 O ATOM 563 CB LEU A 94 3.614 8.323 1.647 1.00 0.00 C ATOM 564 CG LEU A 94 5.133 8.396 1.468 1.00 0.00 C ATOM 565 CD1 LEU A 94 5.541 7.598 0.226 1.00 0.00 C ATOM 566 CD2 LEU A 94 5.557 9.857 1.297 1.00 0.00 C ATOM 0 H LEU A 94 4.544 8.046 4.054 1.00 0.00 H new ATOM 0 HA LEU A 94 3.141 10.198 2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.302 7.286 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.115 8.703 0.756 1.00 0.00 H new ATOM 0 HG LEU A 94 5.622 7.975 2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.622 7.650 0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.240 6.557 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.052 8.018 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.638 9.910 1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.067 10.278 0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.268 10.426 2.181 1.00 0.00 H new ATOM 578 N SER A 95 1.648 8.616 4.664 1.00 0.00 N ATOM 579 CA SER A 95 0.377 8.188 5.235 1.00 0.00 C ATOM 580 C SER A 95 -0.740 9.146 4.837 1.00 0.00 C ATOM 581 O SER A 95 -1.919 8.865 5.055 1.00 0.00 O ATOM 582 CB SER A 95 0.482 8.131 6.760 1.00 0.00 C ATOM 583 OG SER A 95 -0.824 8.123 7.320 1.00 0.00 O ATOM 0 H SER A 95 2.365 8.851 5.350 1.00 0.00 H new ATOM 0 HA SER A 95 0.144 7.196 4.849 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.027 7.238 7.065 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.044 8.989 7.130 1.00 0.00 H new ATOM 0 HG SER A 95 -1.487 8.033 6.604 1.00 0.00 H new ATOM 589 N LYS A 96 -0.362 10.279 4.252 1.00 0.00 N ATOM 590 CA LYS A 96 -1.340 11.276 3.826 1.00 0.00 C ATOM 591 C LYS A 96 -1.611 11.161 2.329 1.00 0.00 C ATOM 592 O LYS A 96 -2.439 11.888 1.781 1.00 0.00 O ATOM 593 CB LYS A 96 -0.823 12.680 4.145 1.00 0.00 C ATOM 594 CG LYS A 96 -0.267 12.706 5.571 1.00 0.00 C ATOM 595 CD LYS A 96 0.052 14.148 5.970 1.00 0.00 C ATOM 596 CE LYS A 96 0.847 14.153 7.276 1.00 0.00 C ATOM 597 NZ LYS A 96 0.017 13.571 8.367 1.00 0.00 N ATOM 0 H LYS A 96 0.609 10.529 4.063 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.270 11.097 4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.046 12.963 3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.628 13.408 4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.992 12.278 6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.632 12.093 5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.625 14.636 5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.871 14.715 6.092 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.765 13.578 7.157 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.140 15.171 7.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.478 13.742 9.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.923 14.017 8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.085 12.547 8.217 1.00 0.00 H new ATOM 611 N TRP A 97 -0.910 10.241 1.672 1.00 0.00 N ATOM 612 CA TRP A 97 -1.085 10.041 0.237 1.00 0.00 C ATOM 613 C TRP A 97 -2.267 9.113 -0.034 1.00 0.00 C ATOM 614 O TRP A 97 -2.770 8.454 0.875 1.00 0.00 O ATOM 615 CB TRP A 97 0.185 9.437 -0.366 1.00 0.00 C ATOM 616 CG TRP A 97 1.262 10.473 -0.416 1.00 0.00 C ATOM 617 CD1 TRP A 97 1.676 11.218 0.634 1.00 0.00 C ATOM 618 CD2 TRP A 97 2.068 10.893 -1.556 1.00 0.00 C ATOM 619 NE1 TRP A 97 2.686 12.064 0.214 1.00 0.00 N ATOM 620 CE2 TRP A 97 2.962 11.901 -1.128 1.00 0.00 C ATOM 621 CE3 TRP A 97 2.108 10.499 -2.905 1.00 0.00 C ATOM 622 CZ2 TRP A 97 3.867 12.499 -2.008 1.00 0.00 C ATOM 623 CZ3 TRP A 97 3.016 11.096 -3.794 1.00 0.00 C ATOM 624 CH2 TRP A 97 3.893 12.096 -3.346 1.00 0.00 C ATOM 0 H TRP A 97 -0.221 9.627 2.106 1.00 0.00 H new ATOM 0 HA TRP A 97 -1.282 11.009 -0.224 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.513 8.586 0.231 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.020 9.063 -1.369 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.282 11.161 1.638 1.00 0.00 H new ATOM 0 HE1 TRP A 97 3.168 12.727 0.821 1.00 0.00 H new ATOM 0 HE3 TRP A 97 1.436 9.732 -3.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 4.541 13.266 -1.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 3.040 10.784 -4.828 1.00 0.00 H new ATOM 0 HH2 TRP A 97 4.588 12.554 -4.035 1.00 0.00 H new ATOM 635 N LYS A 98 -2.702 9.068 -1.291 1.00 0.00 N ATOM 636 CA LYS A 98 -3.826 8.217 -1.675 1.00 0.00 C ATOM 637 C LYS A 98 -3.332 6.981 -2.422 1.00 0.00 C ATOM 638 O LYS A 98 -2.208 6.956 -2.924 1.00 0.00 O ATOM 639 CB LYS A 98 -4.793 8.999 -2.566 1.00 0.00 C ATOM 640 CG LYS A 98 -4.990 10.406 -1.998 1.00 0.00 C ATOM 641 CD LYS A 98 -5.512 10.310 -0.564 1.00 0.00 C ATOM 642 CE LYS A 98 -6.098 11.660 -0.142 1.00 0.00 C ATOM 643 NZ LYS A 98 -6.287 11.680 1.336 1.00 0.00 N ATOM 0 H LYS A 98 -2.297 9.607 -2.057 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.342 7.899 -0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.401 9.057 -3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.751 8.481 -2.623 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.047 10.952 -2.017 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.694 10.964 -2.616 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.274 9.533 -0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.704 10.026 0.110 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.432 12.468 -0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.051 11.827 -0.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.685 12.597 1.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.938 10.918 1.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.370 11.539 1.805 1.00 0.00 H new ATOM 657 N TYR A 99 -4.180 5.961 -2.493 1.00 0.00 N ATOM 658 CA TYR A 99 -3.822 4.726 -3.181 1.00 0.00 C ATOM 659 C TYR A 99 -3.401 5.015 -4.620 1.00 0.00 C ATOM 660 O TYR A 99 -2.407 4.473 -5.106 1.00 0.00 O ATOM 661 CB TYR A 99 -5.014 3.765 -3.174 1.00 0.00 C ATOM 662 CG TYR A 99 -4.688 2.539 -3.998 1.00 0.00 C ATOM 663 CD1 TYR A 99 -3.613 1.720 -3.637 1.00 0.00 C ATOM 664 CD2 TYR A 99 -5.463 2.222 -5.122 1.00 0.00 C ATOM 665 CE1 TYR A 99 -3.310 0.586 -4.398 1.00 0.00 C ATOM 666 CE2 TYR A 99 -5.160 1.086 -5.883 1.00 0.00 C ATOM 667 CZ TYR A 99 -4.083 0.268 -5.521 1.00 0.00 C ATOM 668 OH TYR A 99 -3.783 -0.851 -6.272 1.00 0.00 O ATOM 0 H TYR A 99 -5.115 5.964 -2.085 1.00 0.00 H new ATOM 0 HA TYR A 99 -2.983 4.268 -2.658 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.252 3.474 -2.151 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -5.896 4.262 -3.578 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -3.017 1.963 -2.770 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.293 2.853 -5.401 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.479 -0.045 -4.119 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.757 0.841 -6.749 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.418 -0.926 -7.015 1.00 0.00 H new ATOM 678 N ALA A 100 -4.166 5.869 -5.294 1.00 0.00 N ATOM 679 CA ALA A 100 -3.871 6.222 -6.678 1.00 0.00 C ATOM 680 C ALA A 100 -2.568 7.009 -6.770 1.00 0.00 C ATOM 681 O ALA A 100 -1.790 6.837 -7.711 1.00 0.00 O ATOM 682 CB ALA A 100 -5.012 7.058 -7.257 1.00 0.00 C ATOM 0 H ALA A 100 -4.991 6.327 -4.906 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.765 5.300 -7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.784 7.318 -8.291 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.938 6.484 -7.223 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.129 7.970 -6.671 1.00 0.00 H new ATOM 688 N GLU A 101 -2.336 7.876 -5.791 1.00 0.00 N ATOM 689 CA GLU A 101 -1.126 8.690 -5.775 1.00 0.00 C ATOM 690 C GLU A 101 0.107 7.819 -5.564 1.00 0.00 C ATOM 691 O GLU A 101 1.093 7.938 -6.288 1.00 0.00 O ATOM 692 CB GLU A 101 -1.215 9.733 -4.658 1.00 0.00 C ATOM 693 CG GLU A 101 -2.425 10.641 -4.898 1.00 0.00 C ATOM 694 CD GLU A 101 -2.054 11.774 -5.847 1.00 0.00 C ATOM 695 OE1 GLU A 101 -1.494 12.753 -5.381 1.00 0.00 O ATOM 696 OE2 GLU A 101 -2.333 11.647 -7.029 1.00 0.00 O ATOM 0 H GLU A 101 -2.965 8.033 -5.003 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.037 9.193 -6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.305 9.238 -3.691 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.302 10.327 -4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.247 10.060 -5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.775 11.051 -3.950 1.00 0.00 H new ATOM 703 N LEU A 102 0.046 6.947 -4.563 1.00 0.00 N ATOM 704 CA LEU A 102 1.168 6.065 -4.265 1.00 0.00 C ATOM 705 C LEU A 102 1.486 5.172 -5.461 1.00 0.00 C ATOM 706 O LEU A 102 2.568 5.264 -6.043 1.00 0.00 O ATOM 707 CB LEU A 102 0.840 5.197 -3.048 1.00 0.00 C ATOM 708 CG LEU A 102 0.678 6.080 -1.806 1.00 0.00 C ATOM 709 CD1 LEU A 102 0.217 5.219 -0.627 1.00 0.00 C ATOM 710 CD2 LEU A 102 2.017 6.748 -1.457 1.00 0.00 C ATOM 0 H LEU A 102 -0.761 6.833 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 102 2.041 6.681 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.077 4.635 -3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.634 4.468 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.064 6.852 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.101 5.845 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.738 4.752 -0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.959 4.446 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.892 7.374 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.765 5.981 -1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.345 7.364 -2.294 1.00 0.00 H new ATOM 722 N ARG A 103 0.545 4.306 -5.822 1.00 0.00 N ATOM 723 CA ARG A 103 0.747 3.402 -6.948 1.00 0.00 C ATOM 724 C ARG A 103 1.247 4.167 -8.171 1.00 0.00 C ATOM 725 O ARG A 103 2.149 3.711 -8.879 1.00 0.00 O ATOM 726 CB ARG A 103 -0.560 2.676 -7.284 1.00 0.00 C ATOM 727 CG ARG A 103 -1.549 3.656 -7.915 1.00 0.00 C ATOM 728 CD ARG A 103 -2.923 2.994 -8.039 1.00 0.00 C ATOM 729 NE ARG A 103 -3.728 3.691 -9.037 1.00 0.00 N ATOM 730 CZ ARG A 103 -5.056 3.638 -9.010 1.00 0.00 C ATOM 731 NH1 ARG A 103 -5.663 2.956 -8.080 1.00 0.00 N ATOM 732 NH2 ARG A 103 -5.751 4.268 -9.918 1.00 0.00 N ATOM 0 H ARG A 103 -0.357 4.211 -5.356 1.00 0.00 H new ATOM 0 HA ARG A 103 1.501 2.667 -6.666 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.363 1.852 -7.970 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -0.989 2.243 -6.380 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.622 4.557 -7.306 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.193 3.964 -8.898 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.807 1.947 -8.321 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.431 3.010 -7.075 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.263 4.229 -9.769 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -5.119 2.462 -7.372 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -6.682 2.916 -8.060 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.275 4.800 -10.647 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.770 4.228 -9.899 1.00 0.00 H new ATOM 746 N ASP A 104 0.656 5.330 -8.418 1.00 0.00 N ATOM 747 CA ASP A 104 1.044 6.148 -9.560 1.00 0.00 C ATOM 748 C ASP A 104 2.496 6.603 -9.440 1.00 0.00 C ATOM 749 O ASP A 104 3.301 6.386 -10.344 1.00 0.00 O ATOM 750 CB ASP A 104 0.133 7.372 -9.656 1.00 0.00 C ATOM 751 CG ASP A 104 0.613 8.295 -10.771 1.00 0.00 C ATOM 752 OD1 ASP A 104 0.864 7.799 -11.857 1.00 0.00 O ATOM 753 OD2 ASP A 104 0.719 9.486 -10.525 1.00 0.00 O ATOM 0 H ASP A 104 -0.090 5.726 -7.846 1.00 0.00 H new ATOM 0 HA ASP A 104 0.944 5.542 -10.461 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.893 7.058 -9.850 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.129 7.907 -8.707 1.00 0.00 H new ATOM 758 N THR A 105 2.821 7.238 -8.320 1.00 0.00 N ATOM 759 CA THR A 105 4.175 7.725 -8.096 1.00 0.00 C ATOM 760 C THR A 105 5.200 6.647 -8.429 1.00 0.00 C ATOM 761 O THR A 105 6.056 6.839 -9.292 1.00 0.00 O ATOM 762 CB THR A 105 4.342 8.157 -6.637 1.00 0.00 C ATOM 763 OG1 THR A 105 3.216 8.927 -6.243 1.00 0.00 O ATOM 764 CG2 THR A 105 5.612 8.997 -6.494 1.00 0.00 C ATOM 0 H THR A 105 2.170 7.426 -7.558 1.00 0.00 H new ATOM 0 HA THR A 105 4.342 8.581 -8.750 1.00 0.00 H new ATOM 0 HB THR A 105 4.420 7.274 -6.002 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.548 8.342 -5.829 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.730 9.304 -5.455 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.476 8.405 -6.798 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.537 9.881 -7.127 1.00 0.00 H new ATOM 772 N ILE A 106 5.112 5.517 -7.737 1.00 0.00 N ATOM 773 CA ILE A 106 6.045 4.421 -7.967 1.00 0.00 C ATOM 774 C ILE A 106 5.976 3.943 -9.414 1.00 0.00 C ATOM 775 O ILE A 106 6.968 3.468 -9.967 1.00 0.00 O ATOM 776 CB ILE A 106 5.737 3.263 -7.019 1.00 0.00 C ATOM 777 CG1 ILE A 106 4.340 2.704 -7.306 1.00 0.00 C ATOM 778 CG2 ILE A 106 5.785 3.775 -5.581 1.00 0.00 C ATOM 779 CD1 ILE A 106 4.100 1.465 -6.437 1.00 0.00 C ATOM 0 H ILE A 106 4.411 5.337 -7.018 1.00 0.00 H new ATOM 0 HA ILE A 106 7.054 4.784 -7.773 1.00 0.00 H new ATOM 0 HB ILE A 106 6.474 2.473 -7.164 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.583 3.460 -7.097 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.249 2.445 -8.361 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.566 2.956 -4.896 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.778 4.171 -5.369 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.045 4.564 -5.451 1.00 0.00 H new ATOM 0 HD11 ILE A 106 3.106 1.065 -6.640 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.849 0.708 -6.668 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.173 1.739 -5.385 1.00 0.00 H new ATOM 791 N ASN A 107 4.801 4.068 -10.020 1.00 0.00 N ATOM 792 CA ASN A 107 4.625 3.641 -11.402 1.00 0.00 C ATOM 793 C ASN A 107 5.323 4.606 -12.359 1.00 0.00 C ATOM 794 O ASN A 107 5.730 4.218 -13.453 1.00 0.00 O ATOM 795 CB ASN A 107 3.134 3.576 -11.731 1.00 0.00 C ATOM 796 CG ASN A 107 2.574 2.190 -11.415 1.00 0.00 C ATOM 797 OD1 ASN A 107 3.275 1.347 -10.858 1.00 0.00 O ATOM 798 ND2 ASN A 107 1.341 1.908 -11.738 1.00 0.00 N ATOM 0 H ASN A 107 3.966 4.457 -9.582 1.00 0.00 H new ATOM 0 HA ASN A 107 5.071 2.653 -11.522 1.00 0.00 H new ATOM 0 HB2 ASN A 107 2.596 4.331 -11.157 1.00 0.00 H new ATOM 0 HB3 ASN A 107 2.978 3.806 -12.785 1.00 0.00 H new ATOM 0 HD21 ASN A 107 0.957 0.987 -11.528 1.00 0.00 H new ATOM 0 HD22 ASN A 107 0.762 2.609 -12.200 1.00 0.00 H new ATOM 805 N THR A 108 5.456 5.864 -11.941 1.00 0.00 N ATOM 806 CA THR A 108 6.104 6.874 -12.776 1.00 0.00 C ATOM 807 C THR A 108 7.146 7.650 -11.977 1.00 0.00 C ATOM 808 O THR A 108 7.232 8.874 -12.078 1.00 0.00 O ATOM 809 CB THR A 108 5.060 7.848 -13.334 1.00 0.00 C ATOM 810 OG1 THR A 108 5.721 8.925 -13.980 1.00 0.00 O ATOM 811 CG2 THR A 108 4.188 8.391 -12.195 1.00 0.00 C ATOM 0 H THR A 108 5.127 6.206 -11.038 1.00 0.00 H new ATOM 0 HA THR A 108 6.601 6.363 -13.600 1.00 0.00 H new ATOM 0 HB THR A 108 4.425 7.324 -14.049 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.237 9.435 -13.321 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.449 9.082 -12.600 1.00 0.00 H new ATOM 0 HG22 THR A 108 3.678 7.564 -11.701 1.00 0.00 H new ATOM 0 HG23 THR A 108 4.816 8.913 -11.473 1.00 0.00 H new ATOM 819 N SER A 109 7.938 6.930 -11.188 1.00 0.00 N ATOM 820 CA SER A 109 8.980 7.560 -10.375 1.00 0.00 C ATOM 821 C SER A 109 10.338 6.929 -10.662 1.00 0.00 C ATOM 822 O SER A 109 10.440 5.979 -11.440 1.00 0.00 O ATOM 823 CB SER A 109 8.653 7.408 -8.891 1.00 0.00 C ATOM 824 OG SER A 109 9.824 7.657 -8.123 1.00 0.00 O ATOM 0 H SER A 109 7.881 5.916 -11.093 1.00 0.00 H new ATOM 0 HA SER A 109 9.019 8.619 -10.631 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.864 8.104 -8.608 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.279 6.404 -8.690 1.00 0.00 H new ATOM 0 HG SER A 109 9.952 8.624 -8.026 1.00 0.00 H new ATOM 830 N CYS A 110 11.377 7.464 -10.031 1.00 0.00 N ATOM 831 CA CYS A 110 12.727 6.947 -10.226 1.00 0.00 C ATOM 832 C CYS A 110 13.583 7.203 -8.990 1.00 0.00 C ATOM 833 O CYS A 110 14.810 7.247 -9.072 1.00 0.00 O ATOM 834 CB CYS A 110 13.371 7.616 -11.441 1.00 0.00 C ATOM 835 SG CYS A 110 14.833 6.674 -11.946 1.00 0.00 S ATOM 0 H CYS A 110 11.312 8.250 -9.384 1.00 0.00 H new ATOM 0 HA CYS A 110 12.663 5.872 -10.394 1.00 0.00 H new ATOM 0 HB2 CYS A 110 12.657 7.667 -12.263 1.00 0.00 H new ATOM 0 HB3 CYS A 110 13.652 8.641 -11.199 1.00 0.00 H new ATOM 0 HG CYS A 110 15.571 6.428 -10.905 1.00 0.00 H new ATOM 841 N ASP A 111 12.928 7.366 -7.843 1.00 0.00 N ATOM 842 CA ASP A 111 13.642 7.613 -6.592 1.00 0.00 C ATOM 843 C ASP A 111 13.672 6.341 -5.748 1.00 0.00 C ATOM 844 O ASP A 111 12.667 5.648 -5.619 1.00 0.00 O ATOM 845 CB ASP A 111 12.959 8.746 -5.816 1.00 0.00 C ATOM 846 CG ASP A 111 13.622 10.083 -6.141 1.00 0.00 C ATOM 847 OD1 ASP A 111 14.825 10.181 -5.972 1.00 0.00 O ATOM 848 OD2 ASP A 111 12.913 10.987 -6.555 1.00 0.00 O ATOM 0 H ASP A 111 11.913 7.332 -7.753 1.00 0.00 H new ATOM 0 HA ASP A 111 14.666 7.908 -6.819 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.900 8.785 -6.072 1.00 0.00 H new ATOM 0 HB3 ASP A 111 13.021 8.552 -4.745 1.00 0.00 H new ATOM 853 N ILE A 112 14.836 6.035 -5.187 1.00 0.00 N ATOM 854 CA ILE A 112 14.983 4.835 -4.370 1.00 0.00 C ATOM 855 C ILE A 112 14.259 4.985 -3.036 1.00 0.00 C ATOM 856 O ILE A 112 13.308 4.256 -2.753 1.00 0.00 O ATOM 857 CB ILE A 112 16.468 4.560 -4.119 1.00 0.00 C ATOM 858 CG1 ILE A 112 17.217 4.491 -5.461 1.00 0.00 C ATOM 859 CG2 ILE A 112 16.624 3.235 -3.366 1.00 0.00 C ATOM 860 CD1 ILE A 112 17.118 3.082 -6.054 1.00 0.00 C ATOM 0 H ILE A 112 15.684 6.594 -5.281 1.00 0.00 H new ATOM 0 HA ILE A 112 14.538 3.999 -4.910 1.00 0.00 H new ATOM 0 HB ILE A 112 16.889 5.366 -3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 112 16.796 5.216 -6.158 1.00 0.00 H new ATOM 0 HG13 ILE A 112 18.263 4.759 -5.315 1.00 0.00 H new ATOM 0 HG21 ILE A 112 17.682 3.040 -3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 112 16.100 3.295 -2.412 1.00 0.00 H new ATOM 0 HG23 ILE A 112 16.201 2.426 -3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 112 17.653 3.048 -7.003 1.00 0.00 H new ATOM 0 HD12 ILE A 112 17.560 2.364 -5.363 1.00 0.00 H new ATOM 0 HD13 ILE A 112 16.071 2.829 -6.218 1.00 0.00 H new ATOM 872 N GLU A 113 14.712 5.930 -2.220 1.00 0.00 N ATOM 873 CA GLU A 113 14.097 6.156 -0.916 1.00 0.00 C ATOM 874 C GLU A 113 12.583 6.298 -1.051 1.00 0.00 C ATOM 875 O GLU A 113 11.823 5.699 -0.291 1.00 0.00 O ATOM 876 CB GLU A 113 14.677 7.416 -0.268 1.00 0.00 C ATOM 877 CG GLU A 113 14.785 8.534 -1.309 1.00 0.00 C ATOM 878 CD GLU A 113 15.395 9.779 -0.673 1.00 0.00 C ATOM 879 OE1 GLU A 113 16.294 9.627 0.136 1.00 0.00 O ATOM 880 OE2 GLU A 113 14.953 10.866 -1.007 1.00 0.00 O ATOM 0 H GLU A 113 15.495 6.547 -2.435 1.00 0.00 H new ATOM 0 HA GLU A 113 14.314 5.295 -0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 113 14.042 7.736 0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 113 15.660 7.201 0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.400 8.205 -2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 113 13.798 8.766 -1.710 1.00 0.00 H new ATOM 887 N LEU A 114 12.154 7.094 -2.023 1.00 0.00 N ATOM 888 CA LEU A 114 10.728 7.310 -2.250 1.00 0.00 C ATOM 889 C LEU A 114 10.032 5.979 -2.522 1.00 0.00 C ATOM 890 O LEU A 114 9.115 5.586 -1.801 1.00 0.00 O ATOM 891 CB LEU A 114 10.543 8.264 -3.441 1.00 0.00 C ATOM 892 CG LEU A 114 9.068 8.672 -3.620 1.00 0.00 C ATOM 893 CD1 LEU A 114 8.247 7.490 -4.150 1.00 0.00 C ATOM 894 CD2 LEU A 114 8.480 9.149 -2.285 1.00 0.00 C ATOM 0 H LEU A 114 12.767 7.598 -2.663 1.00 0.00 H new ATOM 0 HA LEU A 114 10.282 7.755 -1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 114 11.152 9.156 -3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 114 10.901 7.783 -4.351 1.00 0.00 H new ATOM 0 HG LEU A 114 9.024 9.488 -4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 114 7.207 7.794 -4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 114 8.647 7.172 -5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 114 8.303 6.662 -3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 114 7.438 9.434 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 114 8.539 8.344 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 114 9.045 10.009 -1.925 1.00 0.00 H new ATOM 906 N LEU A 115 10.477 5.288 -3.567 1.00 0.00 N ATOM 907 CA LEU A 115 9.895 3.998 -3.926 1.00 0.00 C ATOM 908 C LEU A 115 9.748 3.121 -2.684 1.00 0.00 C ATOM 909 O LEU A 115 8.698 2.521 -2.457 1.00 0.00 O ATOM 910 CB LEU A 115 10.792 3.286 -4.955 1.00 0.00 C ATOM 911 CG LEU A 115 10.321 3.562 -6.395 1.00 0.00 C ATOM 912 CD1 LEU A 115 9.149 2.640 -6.742 1.00 0.00 C ATOM 913 CD2 LEU A 115 9.889 5.027 -6.556 1.00 0.00 C ATOM 0 H LEU A 115 11.234 5.597 -4.177 1.00 0.00 H new ATOM 0 HA LEU A 115 8.910 4.168 -4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.822 3.622 -4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.783 2.212 -4.767 1.00 0.00 H new ATOM 0 HG LEU A 115 11.153 3.368 -7.072 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.819 2.839 -7.762 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.467 1.601 -6.660 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.325 2.823 -6.052 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.560 5.199 -7.581 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.069 5.242 -5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.731 5.681 -6.330 1.00 0.00 H new ATOM 925 N ALA A 116 10.810 3.050 -1.889 1.00 0.00 N ATOM 926 CA ALA A 116 10.791 2.238 -0.677 1.00 0.00 C ATOM 927 C ALA A 116 9.673 2.693 0.256 1.00 0.00 C ATOM 928 O ALA A 116 8.893 1.880 0.749 1.00 0.00 O ATOM 929 CB ALA A 116 12.134 2.348 0.045 1.00 0.00 C ATOM 0 H ALA A 116 11.688 3.540 -2.059 1.00 0.00 H new ATOM 0 HA ALA A 116 10.613 1.201 -0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.112 1.739 0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.930 1.995 -0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.319 3.388 0.313 1.00 0.00 H new ATOM 935 N ALA A 117 9.606 3.998 0.495 1.00 0.00 N ATOM 936 CA ALA A 117 8.582 4.552 1.371 1.00 0.00 C ATOM 937 C ALA A 117 7.203 4.027 0.989 1.00 0.00 C ATOM 938 O ALA A 117 6.505 3.432 1.810 1.00 0.00 O ATOM 939 CB ALA A 117 8.595 6.079 1.275 1.00 0.00 C ATOM 0 H ALA A 117 10.244 4.687 0.097 1.00 0.00 H new ATOM 0 HA ALA A 117 8.798 4.246 2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 117 7.828 6.491 1.931 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.572 6.454 1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.394 6.381 0.247 1.00 0.00 H new ATOM 945 N CYS A 118 6.814 4.254 -0.260 1.00 0.00 N ATOM 946 CA CYS A 118 5.514 3.798 -0.741 1.00 0.00 C ATOM 947 C CYS A 118 5.331 2.305 -0.480 1.00 0.00 C ATOM 948 O CYS A 118 4.396 1.895 0.207 1.00 0.00 O ATOM 949 CB CYS A 118 5.390 4.071 -2.240 1.00 0.00 C ATOM 950 SG CYS A 118 5.570 5.845 -2.548 1.00 0.00 S ATOM 0 H CYS A 118 7.375 4.747 -0.954 1.00 0.00 H new ATOM 0 HA CYS A 118 4.740 4.344 -0.202 1.00 0.00 H new ATOM 0 HB2 CYS A 118 6.154 3.517 -2.786 1.00 0.00 H new ATOM 0 HB3 CYS A 118 4.423 3.724 -2.605 1.00 0.00 H new ATOM 0 HG CYS A 118 5.467 6.077 -3.823 1.00 0.00 H new ATOM 956 N ARG A 119 6.227 1.500 -1.036 1.00 0.00 N ATOM 957 CA ARG A 119 6.152 0.054 -0.862 1.00 0.00 C ATOM 958 C ARG A 119 5.901 -0.301 0.602 1.00 0.00 C ATOM 959 O ARG A 119 5.074 -1.160 0.909 1.00 0.00 O ATOM 960 CB ARG A 119 7.459 -0.594 -1.333 1.00 0.00 C ATOM 961 CG ARG A 119 7.426 -0.768 -2.855 1.00 0.00 C ATOM 962 CD ARG A 119 8.841 -1.036 -3.373 1.00 0.00 C ATOM 963 NE ARG A 119 8.786 -1.638 -4.700 1.00 0.00 N ATOM 964 CZ ARG A 119 8.356 -0.947 -5.751 1.00 0.00 C ATOM 965 NH1 ARG A 119 7.977 0.293 -5.606 1.00 0.00 N ATOM 966 NH2 ARG A 119 8.311 -1.511 -6.927 1.00 0.00 N ATOM 0 H ARG A 119 7.009 1.820 -1.607 1.00 0.00 H new ATOM 0 HA ARG A 119 5.322 -0.323 -1.459 1.00 0.00 H new ATOM 0 HB2 ARG A 119 8.308 0.026 -1.046 1.00 0.00 H new ATOM 0 HB3 ARG A 119 7.592 -1.561 -0.849 1.00 0.00 H new ATOM 0 HG2 ARG A 119 6.768 -1.595 -3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.020 0.128 -3.325 1.00 0.00 H new ATOM 0 HD2 ARG A 119 9.405 -0.104 -3.412 1.00 0.00 H new ATOM 0 HD3 ARG A 119 9.368 -1.699 -2.687 1.00 0.00 H new ATOM 0 HE ARG A 119 9.083 -2.606 -4.824 1.00 0.00 H new ATOM 0 HH11 ARG A 119 8.011 0.732 -4.686 1.00 0.00 H new ATOM 0 HH12 ARG A 119 7.647 0.823 -6.413 1.00 0.00 H new ATOM 0 HH21 ARG A 119 8.606 -2.481 -7.039 1.00 0.00 H new ATOM 0 HH22 ARG A 119 7.981 -0.982 -7.734 1.00 0.00 H new ATOM 980 N GLU A 120 6.621 0.363 1.501 1.00 0.00 N ATOM 981 CA GLU A 120 6.466 0.104 2.926 1.00 0.00 C ATOM 982 C GLU A 120 5.040 0.404 3.379 1.00 0.00 C ATOM 983 O GLU A 120 4.445 -0.366 4.133 1.00 0.00 O ATOM 984 CB GLU A 120 7.449 0.961 3.727 1.00 0.00 C ATOM 985 CG GLU A 120 8.873 0.444 3.509 1.00 0.00 C ATOM 986 CD GLU A 120 9.077 -0.858 4.274 1.00 0.00 C ATOM 987 OE1 GLU A 120 8.145 -1.286 4.934 1.00 0.00 O ATOM 988 OE2 GLU A 120 10.163 -1.408 4.190 1.00 0.00 O ATOM 0 H GLU A 120 7.311 1.078 1.270 1.00 0.00 H new ATOM 0 HA GLU A 120 6.676 -0.951 3.104 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.377 2.003 3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.197 0.928 4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.051 0.283 2.446 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.595 1.189 3.844 1.00 0.00 H new ATOM 995 N GLU A 121 4.494 1.525 2.917 1.00 0.00 N ATOM 996 CA GLU A 121 3.138 1.904 3.288 1.00 0.00 C ATOM 997 C GLU A 121 2.156 0.797 2.914 1.00 0.00 C ATOM 998 O GLU A 121 1.314 0.406 3.722 1.00 0.00 O ATOM 999 CB GLU A 121 2.744 3.213 2.591 1.00 0.00 C ATOM 1000 CG GLU A 121 3.115 4.404 3.478 1.00 0.00 C ATOM 1001 CD GLU A 121 2.188 4.465 4.687 1.00 0.00 C ATOM 1002 OE1 GLU A 121 1.298 3.633 4.769 1.00 0.00 O ATOM 1003 OE2 GLU A 121 2.380 5.342 5.513 1.00 0.00 O ATOM 0 H GLU A 121 4.965 2.179 2.292 1.00 0.00 H new ATOM 0 HA GLU A 121 3.103 2.054 4.367 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.252 3.291 1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.673 3.219 2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.150 4.314 3.808 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.042 5.330 2.907 1.00 0.00 H new ATOM 1010 N PHE A 122 2.271 0.287 1.690 1.00 0.00 N ATOM 1011 CA PHE A 122 1.382 -0.781 1.245 1.00 0.00 C ATOM 1012 C PHE A 122 1.493 -1.977 2.184 1.00 0.00 C ATOM 1013 O PHE A 122 0.521 -2.363 2.830 1.00 0.00 O ATOM 1014 CB PHE A 122 1.739 -1.230 -0.179 1.00 0.00 C ATOM 1015 CG PHE A 122 1.440 -0.144 -1.196 1.00 0.00 C ATOM 1016 CD1 PHE A 122 0.278 0.639 -1.100 1.00 0.00 C ATOM 1017 CD2 PHE A 122 2.331 0.065 -2.257 1.00 0.00 C ATOM 1018 CE1 PHE A 122 0.018 1.627 -2.060 1.00 0.00 C ATOM 1019 CE2 PHE A 122 2.065 1.049 -3.216 1.00 0.00 C ATOM 1020 CZ PHE A 122 0.911 1.831 -3.119 1.00 0.00 C ATOM 0 H PHE A 122 2.958 0.590 1.000 1.00 0.00 H new ATOM 0 HA PHE A 122 0.362 -0.396 1.252 1.00 0.00 H new ATOM 0 HB2 PHE A 122 2.796 -1.492 -0.225 1.00 0.00 H new ATOM 0 HB3 PHE A 122 1.177 -2.130 -0.430 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -0.415 0.480 -0.287 1.00 0.00 H new ATOM 0 HD2 PHE A 122 3.226 -0.535 -2.335 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.873 2.232 -1.983 1.00 0.00 H new ATOM 0 HE2 PHE A 122 2.754 1.204 -4.033 1.00 0.00 H new ATOM 0 HZ PHE A 122 0.708 2.591 -3.859 1.00 0.00 H new ATOM 1030 N HIS A 123 2.688 -2.556 2.253 1.00 0.00 N ATOM 1031 CA HIS A 123 2.927 -3.710 3.114 1.00 0.00 C ATOM 1032 C HIS A 123 2.196 -3.553 4.444 1.00 0.00 C ATOM 1033 O HIS A 123 1.509 -4.469 4.898 1.00 0.00 O ATOM 1034 CB HIS A 123 4.433 -3.868 3.361 1.00 0.00 C ATOM 1035 CG HIS A 123 4.671 -4.580 4.668 1.00 0.00 C ATOM 1036 ND1 HIS A 123 4.548 -4.168 5.973 1.00 0.00 N flip ATOM 1037 CD2 HIS A 123 5.097 -5.897 4.724 1.00 0.00 C flip ATOM 1038 CE1 HIS A 123 4.890 -5.214 6.826 1.00 0.00 C flip ATOM 1039 NE2 HIS A 123 5.212 -6.231 6.024 1.00 0.00 N flip ATOM 0 H HIS A 123 3.504 -2.246 1.725 1.00 0.00 H new ATOM 0 HA HIS A 123 2.545 -4.601 2.615 1.00 0.00 H new ATOM 0 HB2 HIS A 123 4.887 -4.429 2.544 1.00 0.00 H new ATOM 0 HB3 HIS A 123 4.911 -2.889 3.379 1.00 0.00 H new ATOM 0 HD2 HIS A 123 5.300 -6.539 3.879 1.00 0.00 H new ATOM 0 HE1 HIS A 123 4.894 -5.204 7.906 1.00 0.00 H new ATOM 0 HE2 HIS A 123 5.509 -7.149 6.355 1.00 0.00 H new ATOM 1047 N ARG A 124 2.360 -2.394 5.066 1.00 0.00 N ATOM 1048 CA ARG A 124 1.729 -2.132 6.343 1.00 0.00 C ATOM 1049 C ARG A 124 0.209 -2.230 6.231 1.00 0.00 C ATOM 1050 O ARG A 124 -0.442 -2.869 7.058 1.00 0.00 O ATOM 1051 CB ARG A 124 2.134 -0.736 6.825 1.00 0.00 C ATOM 1052 CG ARG A 124 1.512 -0.460 8.198 1.00 0.00 C ATOM 1053 CD ARG A 124 0.194 0.305 8.035 1.00 0.00 C ATOM 1054 NE ARG A 124 0.426 1.740 8.162 1.00 0.00 N ATOM 1055 CZ ARG A 124 -0.566 2.613 8.025 1.00 0.00 C ATOM 1056 NH1 ARG A 124 -1.776 2.191 7.774 1.00 0.00 N ATOM 1057 NH2 ARG A 124 -0.332 3.892 8.142 1.00 0.00 N ATOM 0 H ARG A 124 2.924 -1.625 4.705 1.00 0.00 H new ATOM 0 HA ARG A 124 2.061 -2.881 7.062 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.220 -0.663 6.886 1.00 0.00 H new ATOM 0 HB3 ARG A 124 1.804 0.016 6.108 1.00 0.00 H new ATOM 0 HG2 ARG A 124 1.334 -1.400 8.721 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.204 0.119 8.810 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -0.245 0.085 7.062 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -0.521 -0.023 8.789 1.00 0.00 H new ATOM 0 HE ARG A 124 1.367 2.079 8.360 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -1.959 1.192 7.683 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -2.538 2.861 7.669 1.00 0.00 H new ATOM 0 HH21 ARG A 124 0.613 4.222 8.339 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -1.094 4.562 8.037 1.00 0.00 H new ATOM 1071 N ARG A 125 -0.348 -1.593 5.206 1.00 0.00 N ATOM 1072 CA ARG A 125 -1.793 -1.617 5.003 1.00 0.00 C ATOM 1073 C ARG A 125 -2.272 -3.030 4.679 1.00 0.00 C ATOM 1074 O ARG A 125 -3.395 -3.405 5.017 1.00 0.00 O ATOM 1075 CB ARG A 125 -2.177 -0.666 3.865 1.00 0.00 C ATOM 1076 CG ARG A 125 -2.141 0.778 4.371 1.00 0.00 C ATOM 1077 CD ARG A 125 -2.306 1.741 3.195 1.00 0.00 C ATOM 1078 NE ARG A 125 -1.049 1.875 2.470 1.00 0.00 N ATOM 1079 CZ ARG A 125 -0.994 2.502 1.300 1.00 0.00 C ATOM 1080 NH1 ARG A 125 -2.079 3.007 0.780 1.00 0.00 N ATOM 1081 NH2 ARG A 125 0.143 2.611 0.672 1.00 0.00 N ATOM 0 H ARG A 125 0.172 -1.059 4.510 1.00 0.00 H new ATOM 0 HA ARG A 125 -2.274 -1.291 5.925 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.489 -0.786 3.028 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -3.173 -0.908 3.495 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -2.936 0.938 5.099 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.198 0.971 4.882 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -3.083 1.376 2.524 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -2.630 2.716 3.558 1.00 0.00 H new ATOM 0 HE ARG A 125 -0.197 1.481 2.868 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -2.968 2.920 1.272 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -2.038 3.489 -0.118 1.00 0.00 H new ATOM 0 HH21 ARG A 125 0.990 2.215 1.079 1.00 0.00 H new ATOM 0 HH22 ARG A 125 0.185 3.092 -0.226 1.00 0.00 H new ATOM 1095 N LEU A 126 -1.417 -3.810 4.026 1.00 0.00 N ATOM 1096 CA LEU A 126 -1.770 -5.180 3.670 1.00 0.00 C ATOM 1097 C LEU A 126 -1.834 -6.048 4.922 1.00 0.00 C ATOM 1098 O LEU A 126 -2.752 -6.851 5.087 1.00 0.00 O ATOM 1099 CB LEU A 126 -0.736 -5.756 2.687 1.00 0.00 C ATOM 1100 CG LEU A 126 -1.175 -5.509 1.231 1.00 0.00 C ATOM 1101 CD1 LEU A 126 -2.491 -6.245 0.941 1.00 0.00 C ATOM 1102 CD2 LEU A 126 -1.356 -4.006 0.988 1.00 0.00 C ATOM 0 H LEU A 126 -0.483 -3.521 3.735 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.749 -5.175 3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.236 -5.295 2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.618 -6.826 2.860 1.00 0.00 H new ATOM 0 HG LEU A 126 -0.403 -5.890 0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.790 -6.062 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.351 -7.315 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.267 -5.881 1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.666 -3.839 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.118 -3.617 1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -0.413 -3.492 1.171 1.00 0.00 H new ATOM 1114 N LYS A 127 -0.855 -5.877 5.806 1.00 0.00 N ATOM 1115 CA LYS A 127 -0.817 -6.647 7.044 1.00 0.00 C ATOM 1116 C LYS A 127 -2.051 -6.344 7.889 1.00 0.00 C ATOM 1117 O LYS A 127 -2.706 -7.252 8.398 1.00 0.00 O ATOM 1118 CB LYS A 127 0.452 -6.306 7.837 1.00 0.00 C ATOM 1119 CG LYS A 127 1.618 -7.182 7.357 1.00 0.00 C ATOM 1120 CD LYS A 127 1.608 -8.523 8.104 1.00 0.00 C ATOM 1121 CE LYS A 127 2.008 -8.315 9.572 1.00 0.00 C ATOM 1122 NZ LYS A 127 2.753 -9.512 10.054 1.00 0.00 N ATOM 0 H LYS A 127 -0.085 -5.219 5.690 1.00 0.00 H new ATOM 0 HA LYS A 127 -0.808 -7.708 6.796 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.700 -5.252 7.708 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.280 -6.465 8.902 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.537 -7.353 6.284 1.00 0.00 H new ATOM 0 HG3 LYS A 127 2.564 -6.668 7.527 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.616 -8.970 8.050 1.00 0.00 H new ATOM 0 HD3 LYS A 127 2.298 -9.219 7.627 1.00 0.00 H new ATOM 0 HE2 LYS A 127 2.627 -7.423 9.669 1.00 0.00 H new ATOM 0 HE3 LYS A 127 1.120 -8.154 10.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 3.025 -9.374 11.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 2.147 -10.353 9.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 3.607 -9.645 9.476 1.00 0.00 H new ATOM 1136 N VAL A 128 -2.362 -5.059 8.028 1.00 0.00 N ATOM 1137 CA VAL A 128 -3.521 -4.644 8.808 1.00 0.00 C ATOM 1138 C VAL A 128 -4.808 -5.071 8.110 1.00 0.00 C ATOM 1139 O VAL A 128 -5.748 -5.542 8.750 1.00 0.00 O ATOM 1140 CB VAL A 128 -3.516 -3.124 8.988 1.00 0.00 C ATOM 1141 CG1 VAL A 128 -4.701 -2.708 9.862 1.00 0.00 C ATOM 1142 CG2 VAL A 128 -2.211 -2.695 9.662 1.00 0.00 C ATOM 0 H VAL A 128 -1.832 -4.293 7.614 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.470 -5.123 9.786 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.598 -2.643 8.013 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -4.697 -1.626 9.990 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -5.631 -3.013 9.383 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -4.620 -3.189 10.837 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.207 -1.613 9.791 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.129 -3.177 10.636 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.366 -2.990 9.040 1.00 0.00 H new ATOM 1152 N TYR A 129 -4.838 -4.907 6.792 1.00 0.00 N ATOM 1153 CA TYR A 129 -6.009 -5.280 6.009 1.00 0.00 C ATOM 1154 C TYR A 129 -6.251 -6.784 6.102 1.00 0.00 C ATOM 1155 O TYR A 129 -7.392 -7.235 6.181 1.00 0.00 O ATOM 1156 CB TYR A 129 -5.799 -4.876 4.546 1.00 0.00 C ATOM 1157 CG TYR A 129 -6.880 -5.485 3.683 1.00 0.00 C ATOM 1158 CD1 TYR A 129 -8.212 -5.080 3.838 1.00 0.00 C ATOM 1159 CD2 TYR A 129 -6.552 -6.451 2.723 1.00 0.00 C ATOM 1160 CE1 TYR A 129 -9.213 -5.641 3.035 1.00 0.00 C ATOM 1161 CE2 TYR A 129 -7.551 -7.011 1.920 1.00 0.00 C ATOM 1162 CZ TYR A 129 -8.883 -6.606 2.077 1.00 0.00 C ATOM 1163 OH TYR A 129 -9.869 -7.158 1.284 1.00 0.00 O ATOM 0 H TYR A 129 -4.068 -4.520 6.246 1.00 0.00 H new ATOM 0 HA TYR A 129 -6.881 -4.761 6.407 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.817 -3.790 4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -4.819 -5.209 4.205 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.467 -4.335 4.577 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -5.525 -6.764 2.603 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -10.240 -5.329 3.155 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -7.296 -7.755 1.180 1.00 0.00 H new ATOM 0 HH TYR A 129 -9.469 -7.810 0.672 1.00 0.00 H new ATOM 1173 N HIS A 130 -5.166 -7.552 6.096 1.00 0.00 N ATOM 1174 CA HIS A 130 -5.272 -9.004 6.184 1.00 0.00 C ATOM 1175 C HIS A 130 -5.580 -9.429 7.615 1.00 0.00 C ATOM 1176 O HIS A 130 -6.163 -10.488 7.848 1.00 0.00 O ATOM 1177 CB HIS A 130 -3.961 -9.650 5.727 1.00 0.00 C ATOM 1178 CG HIS A 130 -3.870 -9.603 4.226 1.00 0.00 C ATOM 1179 ND1 HIS A 130 -4.889 -10.066 3.409 1.00 0.00 N ATOM 1180 CD2 HIS A 130 -2.887 -9.152 3.381 1.00 0.00 C ATOM 1181 CE1 HIS A 130 -4.500 -9.885 2.133 1.00 0.00 C ATOM 1182 NE2 HIS A 130 -3.287 -9.332 2.060 1.00 0.00 N ATOM 0 H HIS A 130 -4.212 -7.197 6.032 1.00 0.00 H new ATOM 0 HA HIS A 130 -6.084 -9.333 5.536 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -3.113 -9.127 6.169 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -3.914 -10.683 6.072 1.00 0.00 H new ATOM 0 HD1 HIS A 130 -5.773 -10.470 3.718 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -1.946 -8.723 3.693 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -5.096 -10.154 1.274 1.00 0.00 H new ATOM 1190 N ALA A 131 -5.189 -8.593 8.571 1.00 0.00 N ATOM 1191 CA ALA A 131 -5.431 -8.890 9.978 1.00 0.00 C ATOM 1192 C ALA A 131 -6.893 -8.642 10.327 1.00 0.00 C ATOM 1193 O ALA A 131 -7.561 -9.500 10.904 1.00 0.00 O ATOM 1194 CB ALA A 131 -4.538 -8.017 10.859 1.00 0.00 C ATOM 0 H ALA A 131 -4.707 -7.711 8.399 1.00 0.00 H new ATOM 0 HA ALA A 131 -5.197 -9.939 10.156 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -4.726 -8.246 11.908 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -3.492 -8.215 10.626 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.758 -6.966 10.672 1.00 0.00 H new ATOM 1200 N TRP A 132 -7.385 -7.464 9.964 1.00 0.00 N ATOM 1201 CA TRP A 132 -8.771 -7.110 10.235 1.00 0.00 C ATOM 1202 C TRP A 132 -9.707 -7.997 9.418 1.00 0.00 C ATOM 1203 O TRP A 132 -10.761 -8.412 9.899 1.00 0.00 O ATOM 1204 CB TRP A 132 -9.003 -5.633 9.894 1.00 0.00 C ATOM 1205 CG TRP A 132 -10.457 -5.387 9.645 1.00 0.00 C ATOM 1206 CD1 TRP A 132 -11.362 -5.046 10.591 1.00 0.00 C ATOM 1207 CD2 TRP A 132 -11.185 -5.462 8.387 1.00 0.00 C ATOM 1208 NE1 TRP A 132 -12.601 -4.903 9.991 1.00 0.00 N ATOM 1209 CE2 TRP A 132 -12.542 -5.148 8.633 1.00 0.00 C ATOM 1210 CE3 TRP A 132 -10.801 -5.767 7.070 1.00 0.00 C ATOM 1211 CZ2 TRP A 132 -13.487 -5.139 7.606 1.00 0.00 C ATOM 1212 CZ3 TRP A 132 -11.748 -5.757 6.034 1.00 0.00 C ATOM 1213 CH2 TRP A 132 -13.089 -5.443 6.301 1.00 0.00 C ATOM 0 H TRP A 132 -6.848 -6.742 9.484 1.00 0.00 H new ATOM 0 HA TRP A 132 -8.981 -7.266 11.293 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -8.654 -5.003 10.713 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -8.423 -5.360 9.012 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -11.152 -4.908 11.641 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -13.453 -4.648 10.490 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -9.771 -6.011 6.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -14.518 -4.899 7.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -11.442 -5.992 5.025 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -13.813 -5.436 5.499 1.00 0.00 H new ATOM 1224 N LYS A 133 -9.314 -8.285 8.181 1.00 0.00 N ATOM 1225 CA LYS A 133 -10.123 -9.127 7.308 1.00 0.00 C ATOM 1226 C LYS A 133 -10.133 -10.564 7.820 1.00 0.00 C ATOM 1227 O LYS A 133 -11.158 -11.245 7.766 1.00 0.00 O ATOM 1228 CB LYS A 133 -9.564 -9.086 5.882 1.00 0.00 C ATOM 1229 CG LYS A 133 -10.479 -9.872 4.931 1.00 0.00 C ATOM 1230 CD LYS A 133 -11.644 -8.984 4.471 1.00 0.00 C ATOM 1231 CE LYS A 133 -12.882 -9.848 4.228 1.00 0.00 C ATOM 1232 NZ LYS A 133 -13.910 -9.051 3.501 1.00 0.00 N ATOM 0 H LYS A 133 -8.446 -7.950 7.763 1.00 0.00 H new ATOM 0 HA LYS A 133 -11.145 -8.749 7.304 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -9.480 -8.052 5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -8.560 -9.509 5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -9.910 -10.216 4.067 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -10.864 -10.759 5.434 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -11.858 -8.228 5.226 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -11.373 -8.455 3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -12.614 -10.731 3.648 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -13.285 -10.201 5.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -14.752 -9.639 3.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -14.173 -8.222 4.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -13.523 -8.736 2.588 1.00 0.00 H new ATOM 1246 N SER A 134 -8.988 -11.017 8.318 1.00 0.00 N ATOM 1247 CA SER A 134 -8.879 -12.375 8.838 1.00 0.00 C ATOM 1248 C SER A 134 -9.724 -12.527 10.097 1.00 0.00 C ATOM 1249 O SER A 134 -10.304 -13.584 10.346 1.00 0.00 O ATOM 1250 CB SER A 134 -7.421 -12.692 9.165 1.00 0.00 C ATOM 1251 OG SER A 134 -7.344 -13.981 9.759 1.00 0.00 O ATOM 0 H SER A 134 -8.129 -10.470 8.373 1.00 0.00 H new ATOM 0 HA SER A 134 -9.240 -13.068 8.078 1.00 0.00 H new ATOM 0 HB2 SER A 134 -6.817 -12.660 8.258 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.017 -11.941 9.844 1.00 0.00 H new ATOM 0 HG SER A 134 -6.410 -14.189 9.969 1.00 0.00 H new ATOM 1257 N LYS A 135 -9.783 -11.463 10.888 1.00 0.00 N ATOM 1258 CA LYS A 135 -10.552 -11.478 12.125 1.00 0.00 C ATOM 1259 C LYS A 135 -12.025 -11.187 11.849 1.00 0.00 C ATOM 1260 O LYS A 135 -12.901 -11.599 12.610 1.00 0.00 O ATOM 1261 CB LYS A 135 -9.991 -10.431 13.087 1.00 0.00 C ATOM 1262 CG LYS A 135 -8.667 -10.930 13.669 1.00 0.00 C ATOM 1263 CD LYS A 135 -7.970 -9.794 14.422 1.00 0.00 C ATOM 1264 CE LYS A 135 -6.491 -10.140 14.615 1.00 0.00 C ATOM 1265 NZ LYS A 135 -5.873 -9.168 15.560 1.00 0.00 N ATOM 0 H LYS A 135 -9.309 -10.581 10.695 1.00 0.00 H new ATOM 0 HA LYS A 135 -10.474 -12.469 12.573 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -9.838 -9.487 12.565 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -10.704 -10.240 13.889 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -8.848 -11.768 14.343 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -8.023 -11.297 12.870 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -8.067 -8.862 13.865 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -8.447 -9.638 15.390 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -6.391 -11.154 15.002 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -5.972 -10.112 13.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -4.868 -9.402 15.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -5.956 -8.206 15.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -6.362 -9.216 16.476 1.00 0.00 H new