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 Set 1.1: A 129 TYR OH : rot 30:sc= 0.108 USER MOD Set 1.2: A 133 LYS NZ :NH3+ 180:sc= 0.432 (180deg=-0.337) USER MOD Single : A 62 THR OG1 : rot 128:sc= 0.0522 USER MOD Single : A 65 GLN : amide:sc=-0.00362 X(o=-0.0036,f=-0.2) USER MOD Single : A 66 MET CE :methyl 130:sc= -0.551 (180deg=-1.87!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 157:sc= -0.732 (180deg=-1.47) 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 -152:sc= 0.0268 USER MOD Single : A 95 SER OG : rot 1:sc= 0.907 USER MOD Single : A 96 LYS NZ :NH3+ 154:sc= -0.218 (180deg=-1.16) 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 90:sc= 0.355 USER MOD Single : A 107 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.26) USER MOD Single : A 108 THR OG1 : rot -67:sc= 1.02 USER MOD Single : A 109 SER OG : rot 180:sc= -0.554! USER MOD Single : A 110 CYS SG : rot -43:sc= 0.244! USER MOD Single : A 118 CYS SG : rot 180:sc= -0.0808 USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 HIS : no HE2:sc= -1.18 K(o=-1.2,f=-2.5!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0768) USER MOD ----------------------------------------------------------------- ATOM 78 N THR A 62 -11.680 -1.481 -5.254 1.00 0.00 N ATOM 79 CA THR A 62 -12.031 -2.351 -4.133 1.00 0.00 C ATOM 80 C THR A 62 -10.802 -2.612 -3.262 1.00 0.00 C ATOM 81 O THR A 62 -9.681 -2.654 -3.763 1.00 0.00 O ATOM 82 CB THR A 62 -12.578 -3.681 -4.663 1.00 0.00 C ATOM 83 OG1 THR A 62 -11.495 -4.561 -4.927 1.00 0.00 O ATOM 84 CG2 THR A 62 -13.364 -3.434 -5.951 1.00 0.00 C ATOM 0 HA THR A 62 -12.794 -1.859 -3.530 1.00 0.00 H new ATOM 0 HB THR A 62 -13.238 -4.128 -3.919 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.652 -5.417 -4.477 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.753 -4.380 -6.327 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.193 -2.757 -5.747 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.707 -2.989 -6.698 1.00 0.00 H new ATOM 92 N PRO A 63 -10.988 -2.789 -1.974 1.00 0.00 N ATOM 93 CA PRO A 63 -9.859 -3.049 -1.032 1.00 0.00 C ATOM 94 C PRO A 63 -9.117 -4.340 -1.374 1.00 0.00 C ATOM 95 O PRO A 63 -7.899 -4.426 -1.227 1.00 0.00 O ATOM 96 CB PRO A 63 -10.531 -3.141 0.348 1.00 0.00 C ATOM 97 CG PRO A 63 -11.978 -3.398 0.077 1.00 0.00 C ATOM 98 CD PRO A 63 -12.285 -2.765 -1.279 1.00 0.00 C ATOM 0 HA PRO A 63 -9.101 -2.267 -1.078 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.095 -3.944 0.943 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.396 -2.218 0.911 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -12.186 -4.468 0.061 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -12.602 -2.964 0.858 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.042 -3.330 -1.823 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.663 -1.748 -1.171 1.00 0.00 H new ATOM 106 N GLU A 64 -9.863 -5.339 -1.835 1.00 0.00 N ATOM 107 CA GLU A 64 -9.263 -6.617 -2.200 1.00 0.00 C ATOM 108 C GLU A 64 -8.454 -6.474 -3.485 1.00 0.00 C ATOM 109 O GLU A 64 -7.393 -7.078 -3.635 1.00 0.00 O ATOM 110 CB GLU A 64 -10.355 -7.670 -2.396 1.00 0.00 C ATOM 111 CG GLU A 64 -9.714 -9.009 -2.762 1.00 0.00 C ATOM 112 CD GLU A 64 -10.739 -10.131 -2.630 1.00 0.00 C ATOM 113 OE1 GLU A 64 -11.906 -9.873 -2.876 1.00 0.00 O ATOM 114 OE2 GLU A 64 -10.342 -11.233 -2.288 1.00 0.00 O ATOM 0 H GLU A 64 -10.874 -5.290 -1.964 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.598 -6.932 -1.395 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.943 -7.774 -1.484 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.041 -7.356 -3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.332 -8.972 -3.782 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.863 -9.204 -2.110 1.00 0.00 H new ATOM 121 N GLN A 65 -8.964 -5.662 -4.406 1.00 0.00 N ATOM 122 CA GLN A 65 -8.282 -5.439 -5.676 1.00 0.00 C ATOM 123 C GLN A 65 -6.933 -4.767 -5.444 1.00 0.00 C ATOM 124 O GLN A 65 -5.908 -5.223 -5.949 1.00 0.00 O ATOM 125 CB GLN A 65 -9.144 -4.561 -6.585 1.00 0.00 C ATOM 126 CG GLN A 65 -8.398 -4.292 -7.895 1.00 0.00 C ATOM 127 CD GLN A 65 -9.376 -3.805 -8.959 1.00 0.00 C ATOM 128 OE1 GLN A 65 -10.381 -4.461 -9.229 1.00 0.00 O ATOM 129 NE2 GLN A 65 -9.139 -2.683 -9.584 1.00 0.00 N ATOM 0 H GLN A 65 -9.840 -5.151 -4.298 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.118 -6.404 -6.156 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.094 -5.055 -6.790 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.375 -3.620 -6.086 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.621 -3.545 -7.734 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.901 -5.201 -8.234 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.305 -2.140 -9.359 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.788 -2.350 -10.297 1.00 0.00 H new ATOM 138 N MET A 66 -6.940 -3.682 -4.674 1.00 0.00 N ATOM 139 CA MET A 66 -5.706 -2.961 -4.382 1.00 0.00 C ATOM 140 C MET A 66 -4.764 -3.836 -3.562 1.00 0.00 C ATOM 141 O MET A 66 -3.545 -3.778 -3.728 1.00 0.00 O ATOM 142 CB MET A 66 -6.016 -1.676 -3.610 1.00 0.00 C ATOM 143 CG MET A 66 -6.777 -2.017 -2.332 1.00 0.00 C ATOM 144 SD MET A 66 -7.187 -0.492 -1.446 1.00 0.00 S ATOM 145 CE MET A 66 -8.308 0.207 -2.684 1.00 0.00 C ATOM 0 H MET A 66 -7.777 -3.287 -4.245 1.00 0.00 H new ATOM 0 HA MET A 66 -5.223 -2.705 -5.325 1.00 0.00 H new ATOM 0 HB2 MET A 66 -5.091 -1.154 -3.366 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.608 -1.002 -4.229 1.00 0.00 H new ATOM 0 HG2 MET A 66 -7.687 -2.565 -2.574 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.173 -2.666 -1.699 1.00 0.00 H new ATOM 0 HE1 MET A 66 -9.237 0.511 -2.203 1.00 0.00 H new ATOM 0 HE2 MET A 66 -7.840 1.074 -3.150 1.00 0.00 H new ATOM 0 HE3 MET A 66 -8.522 -0.543 -3.445 1.00 0.00 H new ATOM 155 N ALA A 67 -5.337 -4.651 -2.680 1.00 0.00 N ATOM 156 CA ALA A 67 -4.536 -5.535 -1.842 1.00 0.00 C ATOM 157 C ALA A 67 -3.780 -6.538 -2.705 1.00 0.00 C ATOM 158 O ALA A 67 -2.630 -6.876 -2.421 1.00 0.00 O ATOM 159 CB ALA A 67 -5.438 -6.284 -0.858 1.00 0.00 C ATOM 0 H ALA A 67 -6.344 -4.717 -2.529 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.819 -4.931 -1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.831 -6.942 -0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.960 -5.567 -0.225 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.166 -6.877 -1.411 1.00 0.00 H new ATOM 165 N LYS A 68 -4.434 -7.007 -3.761 1.00 0.00 N ATOM 166 CA LYS A 68 -3.815 -7.968 -4.666 1.00 0.00 C ATOM 167 C LYS A 68 -2.724 -7.295 -5.492 1.00 0.00 C ATOM 168 O LYS A 68 -1.614 -7.813 -5.610 1.00 0.00 O ATOM 169 CB LYS A 68 -4.877 -8.560 -5.595 1.00 0.00 C ATOM 170 CG LYS A 68 -5.713 -9.588 -4.830 1.00 0.00 C ATOM 171 CD LYS A 68 -6.771 -10.185 -5.761 1.00 0.00 C ATOM 172 CE LYS A 68 -7.467 -11.353 -5.060 1.00 0.00 C ATOM 173 NZ LYS A 68 -8.370 -12.043 -6.025 1.00 0.00 N ATOM 0 H LYS A 68 -5.386 -6.740 -4.011 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.364 -8.766 -4.076 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.519 -7.768 -5.981 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.401 -9.031 -6.455 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.070 -10.377 -4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.193 -9.116 -3.973 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.502 -9.424 -6.034 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.306 -10.527 -6.686 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.726 -12.053 -4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.039 -10.990 -4.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.844 -12.837 -5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.084 -11.372 -6.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.813 -12.402 -6.826 1.00 0.00 H new ATOM 187 N GLU A 69 -3.050 -6.137 -6.060 1.00 0.00 N ATOM 188 CA GLU A 69 -2.090 -5.398 -6.873 1.00 0.00 C ATOM 189 C GLU A 69 -0.897 -4.963 -6.030 1.00 0.00 C ATOM 190 O GLU A 69 0.236 -4.919 -6.511 1.00 0.00 O ATOM 191 CB GLU A 69 -2.762 -4.165 -7.482 1.00 0.00 C ATOM 192 CG GLU A 69 -3.890 -4.608 -8.417 1.00 0.00 C ATOM 193 CD GLU A 69 -3.307 -5.222 -9.685 1.00 0.00 C ATOM 194 OE1 GLU A 69 -2.946 -4.467 -10.573 1.00 0.00 O ATOM 195 OE2 GLU A 69 -3.227 -6.438 -9.747 1.00 0.00 O ATOM 0 H GLU A 69 -3.964 -5.693 -5.973 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.738 -6.052 -7.671 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.159 -3.527 -6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.030 -3.573 -8.032 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.528 -5.333 -7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.518 -3.754 -8.672 1.00 0.00 H new ATOM 202 N MET A 70 -1.158 -4.643 -4.768 1.00 0.00 N ATOM 203 CA MET A 70 -0.096 -4.216 -3.866 1.00 0.00 C ATOM 204 C MET A 70 0.802 -5.395 -3.509 1.00 0.00 C ATOM 205 O MET A 70 2.012 -5.363 -3.744 1.00 0.00 O ATOM 206 CB MET A 70 -0.704 -3.626 -2.586 1.00 0.00 C ATOM 207 CG MET A 70 -1.068 -2.153 -2.807 1.00 0.00 C ATOM 208 SD MET A 70 -1.391 -1.367 -1.208 1.00 0.00 S ATOM 209 CE MET A 70 -3.141 -1.810 -1.076 1.00 0.00 C ATOM 0 H MET A 70 -2.088 -4.671 -4.349 1.00 0.00 H new ATOM 0 HA MET A 70 0.502 -3.455 -4.367 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.593 -4.190 -2.303 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.005 -3.714 -1.763 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.255 -1.639 -3.320 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.947 -2.076 -3.447 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.442 -1.795 -0.029 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.741 -1.093 -1.636 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.295 -2.809 -1.483 1.00 0.00 H new ATOM 219 N SER A 71 0.205 -6.434 -2.938 1.00 0.00 N ATOM 220 CA SER A 71 0.959 -7.619 -2.547 1.00 0.00 C ATOM 221 C SER A 71 1.891 -8.067 -3.669 1.00 0.00 C ATOM 222 O SER A 71 3.096 -8.213 -3.464 1.00 0.00 O ATOM 223 CB SER A 71 -0.001 -8.753 -2.190 1.00 0.00 C ATOM 224 OG SER A 71 0.700 -9.989 -2.223 1.00 0.00 O ATOM 0 H SER A 71 -0.794 -6.481 -2.736 1.00 0.00 H new ATOM 0 HA SER A 71 1.564 -7.367 -1.676 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.425 -8.588 -1.199 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.834 -8.775 -2.893 1.00 0.00 H new ATOM 0 HG SER A 71 0.088 -10.719 -1.993 1.00 0.00 H new ATOM 230 N GLU A 72 1.330 -8.292 -4.855 1.00 0.00 N ATOM 231 CA GLU A 72 2.135 -8.730 -5.988 1.00 0.00 C ATOM 232 C GLU A 72 3.198 -7.687 -6.331 1.00 0.00 C ATOM 233 O GLU A 72 4.343 -8.035 -6.618 1.00 0.00 O ATOM 234 CB GLU A 72 1.246 -8.991 -7.207 1.00 0.00 C ATOM 235 CG GLU A 72 0.661 -7.674 -7.717 1.00 0.00 C ATOM 236 CD GLU A 72 -0.395 -7.952 -8.781 1.00 0.00 C ATOM 237 OE1 GLU A 72 -1.239 -8.800 -8.543 1.00 0.00 O ATOM 238 OE2 GLU A 72 -0.344 -7.312 -9.818 1.00 0.00 O ATOM 0 H GLU A 72 0.336 -8.180 -5.053 1.00 0.00 H new ATOM 0 HA GLU A 72 2.635 -9.658 -5.710 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.827 -9.470 -7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.442 -9.677 -6.941 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.219 -7.118 -6.890 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.453 -7.051 -8.133 1.00 0.00 H new ATOM 245 N PHE A 73 2.821 -6.410 -6.297 1.00 0.00 N ATOM 246 CA PHE A 73 3.772 -5.347 -6.604 1.00 0.00 C ATOM 247 C PHE A 73 5.068 -5.566 -5.828 1.00 0.00 C ATOM 248 O PHE A 73 6.156 -5.569 -6.406 1.00 0.00 O ATOM 249 CB PHE A 73 3.174 -3.976 -6.249 1.00 0.00 C ATOM 250 CG PHE A 73 2.883 -3.198 -7.514 1.00 0.00 C ATOM 251 CD1 PHE A 73 2.079 -3.761 -8.512 1.00 0.00 C ATOM 252 CD2 PHE A 73 3.419 -1.914 -7.687 1.00 0.00 C ATOM 253 CE1 PHE A 73 1.811 -3.042 -9.684 1.00 0.00 C ATOM 254 CE2 PHE A 73 3.150 -1.197 -8.858 1.00 0.00 C ATOM 255 CZ PHE A 73 2.346 -1.760 -9.856 1.00 0.00 C ATOM 0 H PHE A 73 1.880 -6.091 -6.064 1.00 0.00 H new ATOM 0 HA PHE A 73 3.988 -5.369 -7.672 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.258 -4.107 -5.673 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.868 -3.418 -5.620 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.665 -4.750 -8.378 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.039 -1.479 -6.917 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.192 -3.477 -10.455 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.563 -0.208 -8.992 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.138 -1.205 -10.759 1.00 0.00 H new ATOM 265 N LEU A 74 4.945 -5.757 -4.518 1.00 0.00 N ATOM 266 CA LEU A 74 6.118 -5.983 -3.680 1.00 0.00 C ATOM 267 C LEU A 74 6.831 -7.261 -4.105 1.00 0.00 C ATOM 268 O LEU A 74 8.051 -7.278 -4.270 1.00 0.00 O ATOM 269 CB LEU A 74 5.709 -6.094 -2.208 1.00 0.00 C ATOM 270 CG LEU A 74 4.763 -4.947 -1.841 1.00 0.00 C ATOM 271 CD1 LEU A 74 4.556 -4.925 -0.326 1.00 0.00 C ATOM 272 CD2 LEU A 74 5.367 -3.613 -2.290 1.00 0.00 C ATOM 0 H LEU A 74 4.056 -5.760 -4.018 1.00 0.00 H new ATOM 0 HA LEU A 74 6.793 -5.136 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.220 -7.052 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.594 -6.064 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 74 3.806 -5.096 -2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.883 -4.109 -0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.122 -5.872 -0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.515 -4.778 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.690 -2.800 -2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.326 -3.462 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.516 -3.626 -3.370 1.00 0.00 H new ATOM 284 N SER A 75 6.061 -8.330 -4.285 1.00 0.00 N ATOM 285 CA SER A 75 6.631 -9.608 -4.694 1.00 0.00 C ATOM 286 C SER A 75 7.508 -9.428 -5.929 1.00 0.00 C ATOM 287 O SER A 75 8.520 -10.111 -6.089 1.00 0.00 O ATOM 288 CB SER A 75 5.514 -10.606 -5.000 1.00 0.00 C ATOM 289 OG SER A 75 6.071 -11.907 -5.132 1.00 0.00 O ATOM 0 H SER A 75 5.049 -8.337 -4.155 1.00 0.00 H new ATOM 0 HA SER A 75 7.243 -9.991 -3.877 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.772 -10.595 -4.202 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.999 -10.323 -5.918 1.00 0.00 H new ATOM 0 HG SER A 75 5.358 -12.550 -5.327 1.00 0.00 H new ATOM 295 N ARG A 76 7.115 -8.502 -6.799 1.00 0.00 N ATOM 296 CA ARG A 76 7.872 -8.238 -8.016 1.00 0.00 C ATOM 297 C ARG A 76 9.155 -7.480 -7.689 1.00 0.00 C ATOM 298 O ARG A 76 10.232 -7.820 -8.178 1.00 0.00 O ATOM 299 CB ARG A 76 7.025 -7.417 -8.992 1.00 0.00 C ATOM 300 CG ARG A 76 5.825 -8.248 -9.469 1.00 0.00 C ATOM 301 CD ARG A 76 6.168 -8.956 -10.785 1.00 0.00 C ATOM 302 NE ARG A 76 7.578 -9.325 -10.811 1.00 0.00 N ATOM 303 CZ ARG A 76 8.024 -10.281 -11.619 1.00 0.00 C ATOM 304 NH1 ARG A 76 7.195 -10.905 -12.411 1.00 0.00 N ATOM 305 NH2 ARG A 76 9.291 -10.595 -11.622 1.00 0.00 N ATOM 0 H ARG A 76 6.281 -7.925 -6.684 1.00 0.00 H new ATOM 0 HA ARG A 76 8.131 -9.191 -8.477 1.00 0.00 H new ATOM 0 HB2 ARG A 76 6.677 -6.505 -8.507 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.630 -7.113 -9.846 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.556 -8.983 -8.710 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.958 -7.603 -9.609 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.550 -9.847 -10.898 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.941 -8.302 -11.627 1.00 0.00 H new ATOM 0 HE ARG A 76 8.234 -8.841 -10.198 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.205 -10.659 -12.410 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.537 -11.639 -13.031 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.939 -10.107 -11.004 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.633 -11.329 -12.242 1.00 0.00 H new ATOM 526 N TYR A 92 9.885 8.665 5.352 1.00 0.00 N ATOM 527 CA TYR A 92 8.836 9.304 4.561 1.00 0.00 C ATOM 528 C TYR A 92 7.458 8.916 5.090 1.00 0.00 C ATOM 529 O TYR A 92 7.084 7.745 5.075 1.00 0.00 O ATOM 530 CB TYR A 92 8.957 8.875 3.094 1.00 0.00 C ATOM 531 CG TYR A 92 9.903 9.797 2.362 1.00 0.00 C ATOM 532 CD1 TYR A 92 9.450 11.035 1.892 1.00 0.00 C ATOM 533 CD2 TYR A 92 11.232 9.412 2.151 1.00 0.00 C ATOM 534 CE1 TYR A 92 10.325 11.888 1.210 1.00 0.00 C ATOM 535 CE2 TYR A 92 12.108 10.266 1.470 1.00 0.00 C ATOM 536 CZ TYR A 92 11.654 11.504 0.999 1.00 0.00 C ATOM 537 OH TYR A 92 12.517 12.346 0.327 1.00 0.00 O ATOM 0 HA TYR A 92 8.954 10.385 4.638 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.319 7.848 3.036 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.976 8.895 2.619 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.425 11.332 2.056 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.582 8.457 2.513 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.975 12.843 0.846 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.134 9.970 1.308 1.00 0.00 H new ATOM 0 HH TYR A 92 13.209 11.816 -0.120 1.00 0.00 H new ATOM 547 N ASP A 93 6.704 9.912 5.552 1.00 0.00 N ATOM 548 CA ASP A 93 5.365 9.665 6.076 1.00 0.00 C ATOM 549 C ASP A 93 4.317 9.986 5.015 1.00 0.00 C ATOM 550 O ASP A 93 3.911 11.138 4.859 1.00 0.00 O ATOM 551 CB ASP A 93 5.120 10.529 7.314 1.00 0.00 C ATOM 552 CG ASP A 93 6.301 10.415 8.271 1.00 0.00 C ATOM 553 OD1 ASP A 93 6.558 9.317 8.736 1.00 0.00 O ATOM 554 OD2 ASP A 93 6.931 11.427 8.528 1.00 0.00 O ATOM 0 H ASP A 93 6.996 10.889 5.574 1.00 0.00 H new ATOM 0 HA ASP A 93 5.286 8.613 6.349 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.979 11.569 7.020 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.205 10.212 7.814 1.00 0.00 H new ATOM 559 N LEU A 94 3.887 8.960 4.284 1.00 0.00 N ATOM 560 CA LEU A 94 2.888 9.145 3.236 1.00 0.00 C ATOM 561 C LEU A 94 1.493 8.819 3.762 1.00 0.00 C ATOM 562 O LEU A 94 0.610 8.419 3.004 1.00 0.00 O ATOM 563 CB LEU A 94 3.204 8.240 2.041 1.00 0.00 C ATOM 564 CG LEU A 94 4.710 8.257 1.758 1.00 0.00 C ATOM 565 CD1 LEU A 94 5.026 7.290 0.613 1.00 0.00 C ATOM 566 CD2 LEU A 94 5.137 9.672 1.363 1.00 0.00 C ATOM 0 H LEU A 94 4.212 8.000 4.397 1.00 0.00 H new ATOM 0 HA LEU A 94 2.914 10.188 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.876 7.222 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.656 8.579 1.162 1.00 0.00 H new ATOM 0 HG LEU A 94 5.252 7.949 2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.097 7.302 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.721 6.282 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.485 7.597 -0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.208 9.686 1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.595 9.979 0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.912 10.361 2.178 1.00 0.00 H new ATOM 578 N SER A 95 1.302 8.987 5.067 1.00 0.00 N ATOM 579 CA SER A 95 0.011 8.703 5.683 1.00 0.00 C ATOM 580 C SER A 95 -1.049 9.686 5.194 1.00 0.00 C ATOM 581 O SER A 95 -2.207 9.617 5.604 1.00 0.00 O ATOM 582 CB SER A 95 0.128 8.792 7.204 1.00 0.00 C ATOM 583 OG SER A 95 -1.174 8.827 7.775 1.00 0.00 O ATOM 0 H SER A 95 2.019 9.316 5.714 1.00 0.00 H new ATOM 0 HA SER A 95 -0.289 7.694 5.399 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.683 7.936 7.588 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.685 9.686 7.486 1.00 0.00 H new ATOM 0 HG SER A 95 -1.845 8.774 7.063 1.00 0.00 H new ATOM 589 N LYS A 96 -0.644 10.600 4.316 1.00 0.00 N ATOM 590 CA LYS A 96 -1.567 11.596 3.774 1.00 0.00 C ATOM 591 C LYS A 96 -1.785 11.370 2.281 1.00 0.00 C ATOM 592 O LYS A 96 -2.449 12.163 1.614 1.00 0.00 O ATOM 593 CB LYS A 96 -1.006 13.002 4.000 1.00 0.00 C ATOM 594 CG LYS A 96 -0.529 13.136 5.447 1.00 0.00 C ATOM 595 CD LYS A 96 -0.046 14.567 5.695 1.00 0.00 C ATOM 596 CE LYS A 96 0.614 14.653 7.073 1.00 0.00 C ATOM 597 NZ LYS A 96 1.733 13.671 7.149 1.00 0.00 N ATOM 0 H LYS A 96 0.311 10.673 3.966 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.523 11.496 4.288 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.179 13.189 3.315 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.771 13.749 3.788 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.340 12.891 6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.278 12.430 5.642 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.663 14.862 4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.885 15.260 5.638 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.989 15.662 7.247 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.119 14.447 7.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.435 13.998 7.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.362 12.744 7.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.184 13.585 6.216 1.00 0.00 H new ATOM 611 N TRP A 97 -1.220 10.284 1.763 1.00 0.00 N ATOM 612 CA TRP A 97 -1.356 9.960 0.346 1.00 0.00 C ATOM 613 C TRP A 97 -2.504 8.981 0.125 1.00 0.00 C ATOM 614 O TRP A 97 -3.009 8.377 1.073 1.00 0.00 O ATOM 615 CB TRP A 97 -0.058 9.340 -0.175 1.00 0.00 C ATOM 616 CG TRP A 97 1.018 10.378 -0.207 1.00 0.00 C ATOM 617 CD1 TRP A 97 1.427 11.107 0.856 1.00 0.00 C ATOM 618 CD2 TRP A 97 1.828 10.813 -1.338 1.00 0.00 C ATOM 619 NE1 TRP A 97 2.437 11.960 0.451 1.00 0.00 N ATOM 620 CE2 TRP A 97 2.720 11.817 -0.892 1.00 0.00 C ATOM 621 CE3 TRP A 97 1.875 10.438 -2.692 1.00 0.00 C ATOM 622 CZ2 TRP A 97 3.626 12.426 -1.760 1.00 0.00 C ATOM 623 CZ3 TRP A 97 2.786 11.049 -3.569 1.00 0.00 C ATOM 624 CH2 TRP A 97 3.661 12.042 -3.102 1.00 0.00 C ATOM 0 H TRP A 97 -0.666 9.616 2.299 1.00 0.00 H new ATOM 0 HA TRP A 97 -1.567 10.882 -0.196 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.243 8.510 0.465 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.213 8.932 -1.174 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.030 11.035 1.858 1.00 0.00 H new ATOM 0 HE1 TRP A 97 2.915 12.615 1.070 1.00 0.00 H new ATOM 0 HE3 TRP A 97 1.206 9.675 -3.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 4.297 13.190 -1.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 2.813 10.753 -4.607 1.00 0.00 H new ATOM 0 HH2 TRP A 97 4.361 12.509 -3.780 1.00 0.00 H new ATOM 635 N LYS A 98 -2.908 8.826 -1.134 1.00 0.00 N ATOM 636 CA LYS A 98 -3.995 7.913 -1.478 1.00 0.00 C ATOM 637 C LYS A 98 -3.460 6.732 -2.280 1.00 0.00 C ATOM 638 O LYS A 98 -2.499 6.869 -3.037 1.00 0.00 O ATOM 639 CB LYS A 98 -5.057 8.648 -2.297 1.00 0.00 C ATOM 640 CG LYS A 98 -5.348 10.009 -1.659 1.00 0.00 C ATOM 641 CD LYS A 98 -5.853 9.806 -0.228 1.00 0.00 C ATOM 642 CE LYS A 98 -6.540 11.084 0.260 1.00 0.00 C ATOM 643 NZ LYS A 98 -7.111 10.851 1.616 1.00 0.00 N ATOM 0 H LYS A 98 -2.501 9.318 -1.929 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.443 7.543 -0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.712 8.782 -3.322 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.970 8.054 -2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.446 10.620 -1.654 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.093 10.546 -2.246 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.551 8.970 -0.193 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.021 9.554 0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.825 11.906 0.291 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.329 11.374 -0.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.578 11.718 1.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.806 10.078 1.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.348 10.594 2.274 1.00 0.00 H new ATOM 657 N TYR A 99 -4.088 5.573 -2.110 1.00 0.00 N ATOM 658 CA TYR A 99 -3.664 4.373 -2.823 1.00 0.00 C ATOM 659 C TYR A 99 -3.344 4.698 -4.281 1.00 0.00 C ATOM 660 O TYR A 99 -2.358 4.208 -4.833 1.00 0.00 O ATOM 661 CB TYR A 99 -4.767 3.312 -2.757 1.00 0.00 C ATOM 662 CG TYR A 99 -4.475 2.204 -3.746 1.00 0.00 C ATOM 663 CD1 TYR A 99 -3.260 1.509 -3.682 1.00 0.00 C ATOM 664 CD2 TYR A 99 -5.419 1.876 -4.729 1.00 0.00 C ATOM 665 CE1 TYR A 99 -2.990 0.487 -4.598 1.00 0.00 C ATOM 666 CE2 TYR A 99 -5.146 0.852 -5.645 1.00 0.00 C ATOM 667 CZ TYR A 99 -3.932 0.158 -5.580 1.00 0.00 C ATOM 668 OH TYR A 99 -3.666 -0.850 -6.483 1.00 0.00 O ATOM 0 H TYR A 99 -4.886 5.439 -1.490 1.00 0.00 H new ATOM 0 HA TYR A 99 -2.762 3.987 -2.347 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.831 2.904 -1.748 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -5.733 3.765 -2.980 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.532 1.762 -2.925 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.355 2.412 -4.780 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.054 -0.049 -4.548 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.873 0.598 -6.402 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.425 -0.950 -7.095 1.00 0.00 H new ATOM 678 N ALA A 100 -4.183 5.523 -4.898 1.00 0.00 N ATOM 679 CA ALA A 100 -3.981 5.902 -6.292 1.00 0.00 C ATOM 680 C ALA A 100 -2.733 6.766 -6.442 1.00 0.00 C ATOM 681 O ALA A 100 -1.984 6.633 -7.411 1.00 0.00 O ATOM 682 CB ALA A 100 -5.201 6.670 -6.806 1.00 0.00 C ATOM 0 H ALA A 100 -5.004 5.940 -4.459 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.849 4.993 -6.879 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.043 6.950 -7.848 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.087 6.039 -6.730 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.344 7.569 -6.207 1.00 0.00 H new ATOM 688 N GLU A 101 -2.517 7.653 -5.479 1.00 0.00 N ATOM 689 CA GLU A 101 -1.358 8.537 -5.514 1.00 0.00 C ATOM 690 C GLU A 101 -0.072 7.738 -5.339 1.00 0.00 C ATOM 691 O GLU A 101 0.899 7.939 -6.066 1.00 0.00 O ATOM 692 CB GLU A 101 -1.467 9.585 -4.404 1.00 0.00 C ATOM 693 CG GLU A 101 -2.732 10.425 -4.611 1.00 0.00 C ATOM 694 CD GLU A 101 -2.447 11.577 -5.568 1.00 0.00 C ATOM 695 OE1 GLU A 101 -2.289 11.316 -6.749 1.00 0.00 O ATOM 696 OE2 GLU A 101 -2.392 12.706 -5.106 1.00 0.00 O ATOM 0 H GLU A 101 -3.124 7.779 -4.669 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.333 9.037 -6.482 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.499 9.096 -3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.587 10.228 -4.409 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.531 9.800 -5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.079 10.815 -3.654 1.00 0.00 H new ATOM 703 N LEU A 102 -0.075 6.832 -4.368 1.00 0.00 N ATOM 704 CA LEU A 102 1.098 6.005 -4.101 1.00 0.00 C ATOM 705 C LEU A 102 1.455 5.165 -5.324 1.00 0.00 C ATOM 706 O LEU A 102 2.529 5.326 -5.909 1.00 0.00 O ATOM 707 CB LEU A 102 0.822 5.083 -2.914 1.00 0.00 C ATOM 708 CG LEU A 102 0.541 5.920 -1.661 1.00 0.00 C ATOM 709 CD1 LEU A 102 -0.038 5.022 -0.567 1.00 0.00 C ATOM 710 CD2 LEU A 102 1.841 6.562 -1.158 1.00 0.00 C ATOM 0 H LEU A 102 -0.870 6.651 -3.756 1.00 0.00 H new ATOM 0 HA LEU A 102 1.937 6.662 -3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.031 4.440 -3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.678 4.430 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.174 6.704 -1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.238 5.617 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.966 4.572 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.677 4.236 -0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.633 7.155 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.562 5.781 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.253 7.206 -1.935 1.00 0.00 H new ATOM 722 N ARG A 103 0.552 4.266 -5.706 1.00 0.00 N ATOM 723 CA ARG A 103 0.789 3.407 -6.860 1.00 0.00 C ATOM 724 C ARG A 103 1.182 4.244 -8.074 1.00 0.00 C ATOM 725 O ARG A 103 2.033 3.845 -8.872 1.00 0.00 O ATOM 726 CB ARG A 103 -0.469 2.592 -7.174 1.00 0.00 C ATOM 727 CG ARG A 103 -1.561 3.518 -7.705 1.00 0.00 C ATOM 728 CD ARG A 103 -2.886 2.757 -7.786 1.00 0.00 C ATOM 729 NE ARG A 103 -3.810 3.443 -8.682 1.00 0.00 N ATOM 730 CZ ARG A 103 -4.997 2.922 -8.976 1.00 0.00 C ATOM 731 NH1 ARG A 103 -5.352 1.777 -8.462 1.00 0.00 N ATOM 732 NH2 ARG A 103 -5.807 3.557 -9.779 1.00 0.00 N ATOM 0 H ARG A 103 -0.342 4.115 -5.238 1.00 0.00 H new ATOM 0 HA ARG A 103 1.607 2.726 -6.625 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.241 1.822 -7.911 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -0.817 2.081 -6.276 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.667 4.384 -7.051 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.285 3.894 -8.690 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.709 1.742 -8.142 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.327 2.674 -6.793 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.541 4.338 -9.090 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.719 1.281 -7.834 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -6.263 1.377 -8.688 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.529 4.452 -10.180 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.718 3.158 -10.005 1.00 0.00 H new ATOM 746 N ASP A 104 0.560 5.410 -8.207 1.00 0.00 N ATOM 747 CA ASP A 104 0.859 6.294 -9.325 1.00 0.00 C ATOM 748 C ASP A 104 2.295 6.795 -9.236 1.00 0.00 C ATOM 749 O ASP A 104 3.050 6.729 -10.206 1.00 0.00 O ATOM 750 CB ASP A 104 -0.100 7.483 -9.319 1.00 0.00 C ATOM 751 CG ASP A 104 0.309 8.491 -10.388 1.00 0.00 C ATOM 752 OD1 ASP A 104 0.230 8.151 -11.557 1.00 0.00 O ATOM 753 OD2 ASP A 104 0.694 9.590 -10.021 1.00 0.00 O ATOM 0 H ASP A 104 -0.147 5.762 -7.561 1.00 0.00 H new ATOM 0 HA ASP A 104 0.737 5.735 -10.253 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.118 7.140 -9.502 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -0.095 7.959 -8.338 1.00 0.00 H new ATOM 758 N THR A 105 2.666 7.296 -8.063 1.00 0.00 N ATOM 759 CA THR A 105 4.014 7.808 -7.854 1.00 0.00 C ATOM 760 C THR A 105 5.054 6.786 -8.300 1.00 0.00 C ATOM 761 O THR A 105 5.879 7.069 -9.168 1.00 0.00 O ATOM 762 CB THR A 105 4.224 8.145 -6.374 1.00 0.00 C ATOM 763 OG1 THR A 105 3.060 8.777 -5.864 1.00 0.00 O ATOM 764 CG2 THR A 105 5.422 9.086 -6.228 1.00 0.00 C ATOM 0 H THR A 105 2.056 7.358 -7.248 1.00 0.00 H new ATOM 0 HA THR A 105 4.134 8.712 -8.451 1.00 0.00 H new ATOM 0 HB THR A 105 4.414 7.228 -5.816 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.445 8.098 -5.515 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.571 9.325 -5.175 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.316 8.600 -6.619 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.234 10.004 -6.785 1.00 0.00 H new ATOM 772 N ILE A 106 5.013 5.596 -7.704 1.00 0.00 N ATOM 773 CA ILE A 106 5.968 4.552 -8.060 1.00 0.00 C ATOM 774 C ILE A 106 5.858 4.197 -9.536 1.00 0.00 C ATOM 775 O ILE A 106 6.841 3.798 -10.161 1.00 0.00 O ATOM 776 CB ILE A 106 5.728 3.305 -7.210 1.00 0.00 C ATOM 777 CG1 ILE A 106 4.329 2.759 -7.488 1.00 0.00 C ATOM 778 CG2 ILE A 106 5.843 3.669 -5.729 1.00 0.00 C ATOM 779 CD1 ILE A 106 4.049 1.590 -6.545 1.00 0.00 C ATOM 0 H ILE A 106 4.340 5.334 -6.984 1.00 0.00 H new ATOM 0 HA ILE A 106 6.972 4.931 -7.868 1.00 0.00 H new ATOM 0 HB ILE A 106 6.471 2.548 -7.460 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.585 3.543 -7.346 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.253 2.432 -8.525 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.672 2.780 -5.122 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.840 4.060 -5.527 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.099 4.426 -5.482 1.00 0.00 H new ATOM 0 HD11 ILE A 106 3.051 1.197 -6.739 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.787 0.805 -6.710 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.109 1.933 -5.512 1.00 0.00 H new ATOM 791 N ASN A 107 4.659 4.340 -10.093 1.00 0.00 N ATOM 792 CA ASN A 107 4.449 4.025 -11.499 1.00 0.00 C ATOM 793 C ASN A 107 5.168 5.033 -12.394 1.00 0.00 C ATOM 794 O ASN A 107 5.576 4.703 -13.507 1.00 0.00 O ATOM 795 CB ASN A 107 2.948 4.034 -11.808 1.00 0.00 C ATOM 796 CG ASN A 107 2.395 2.612 -11.793 1.00 0.00 C ATOM 797 OD1 ASN A 107 2.938 1.726 -12.453 1.00 0.00 O ATOM 798 ND2 ASN A 107 1.340 2.340 -11.075 1.00 0.00 N ATOM 0 H ASN A 107 3.829 4.668 -9.599 1.00 0.00 H new ATOM 0 HA ASN A 107 4.858 3.035 -11.699 1.00 0.00 H new ATOM 0 HB2 ASN A 107 2.422 4.644 -11.073 1.00 0.00 H new ATOM 0 HB3 ASN A 107 2.773 4.489 -12.783 1.00 0.00 H new ATOM 0 HD21 ASN A 107 0.964 1.392 -11.060 1.00 0.00 H new ATOM 0 HD22 ASN A 107 0.891 3.075 -10.529 1.00 0.00 H new ATOM 805 N THR A 108 5.317 6.263 -11.905 1.00 0.00 N ATOM 806 CA THR A 108 5.986 7.307 -12.680 1.00 0.00 C ATOM 807 C THR A 108 7.009 8.053 -11.827 1.00 0.00 C ATOM 808 O THR A 108 7.086 9.281 -11.869 1.00 0.00 O ATOM 809 CB THR A 108 4.953 8.301 -13.222 1.00 0.00 C ATOM 810 OG1 THR A 108 5.624 9.449 -13.721 1.00 0.00 O ATOM 811 CG2 THR A 108 3.990 8.715 -12.106 1.00 0.00 C ATOM 0 H THR A 108 4.988 6.559 -10.986 1.00 0.00 H new ATOM 0 HA THR A 108 6.507 6.829 -13.510 1.00 0.00 H new ATOM 0 HB THR A 108 4.385 7.829 -14.024 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.048 9.929 -12.979 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.259 9.421 -12.500 1.00 0.00 H new ATOM 0 HG22 THR A 108 3.474 7.834 -11.725 1.00 0.00 H new ATOM 0 HG23 THR A 108 4.550 9.185 -11.298 1.00 0.00 H new ATOM 819 N SER A 109 7.799 7.304 -11.061 1.00 0.00 N ATOM 820 CA SER A 109 8.824 7.907 -10.208 1.00 0.00 C ATOM 821 C SER A 109 10.181 7.261 -10.468 1.00 0.00 C ATOM 822 O SER A 109 10.284 6.291 -11.218 1.00 0.00 O ATOM 823 CB SER A 109 8.452 7.735 -8.736 1.00 0.00 C ATOM 824 OG SER A 109 9.588 8.013 -7.929 1.00 0.00 O ATOM 0 H SER A 109 7.751 6.286 -11.012 1.00 0.00 H new ATOM 0 HA SER A 109 8.885 8.970 -10.443 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.633 8.406 -8.475 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.102 6.719 -8.554 1.00 0.00 H new ATOM 0 HG SER A 109 9.352 7.905 -6.984 1.00 0.00 H new ATOM 830 N CYS A 110 11.221 7.807 -9.844 1.00 0.00 N ATOM 831 CA CYS A 110 12.569 7.278 -10.017 1.00 0.00 C ATOM 832 C CYS A 110 13.409 7.525 -8.768 1.00 0.00 C ATOM 833 O CYS A 110 14.637 7.580 -8.835 1.00 0.00 O ATOM 834 CB CYS A 110 13.239 7.940 -11.223 1.00 0.00 C ATOM 835 SG CYS A 110 14.843 7.161 -11.527 1.00 0.00 S ATOM 0 H CYS A 110 11.157 8.610 -9.218 1.00 0.00 H new ATOM 0 HA CYS A 110 12.497 6.203 -10.185 1.00 0.00 H new ATOM 0 HB2 CYS A 110 12.604 7.844 -12.103 1.00 0.00 H new ATOM 0 HB3 CYS A 110 13.370 9.006 -11.039 1.00 0.00 H new ATOM 0 HG CYS A 110 15.462 6.988 -10.397 1.00 0.00 H new ATOM 841 N ASP A 111 12.740 7.669 -7.627 1.00 0.00 N ATOM 842 CA ASP A 111 13.436 7.906 -6.363 1.00 0.00 C ATOM 843 C ASP A 111 13.447 6.630 -5.523 1.00 0.00 C ATOM 844 O ASP A 111 12.399 6.066 -5.224 1.00 0.00 O ATOM 845 CB ASP A 111 12.743 9.038 -5.593 1.00 0.00 C ATOM 846 CG ASP A 111 13.401 10.375 -5.917 1.00 0.00 C ATOM 847 OD1 ASP A 111 13.645 10.626 -7.085 1.00 0.00 O ATOM 848 OD2 ASP A 111 13.650 11.130 -4.991 1.00 0.00 O ATOM 0 H ASP A 111 11.724 7.626 -7.550 1.00 0.00 H new ATOM 0 HA ASP A 111 14.466 8.196 -6.572 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.686 9.072 -5.855 1.00 0.00 H new ATOM 0 HB3 ASP A 111 12.800 8.847 -4.521 1.00 0.00 H new ATOM 853 N ILE A 112 14.639 6.176 -5.158 1.00 0.00 N ATOM 854 CA ILE A 112 14.769 4.957 -4.365 1.00 0.00 C ATOM 855 C ILE A 112 14.065 5.096 -3.019 1.00 0.00 C ATOM 856 O ILE A 112 13.101 4.384 -2.736 1.00 0.00 O ATOM 857 CB ILE A 112 16.249 4.640 -4.134 1.00 0.00 C ATOM 858 CG1 ILE A 112 16.974 4.536 -5.487 1.00 0.00 C ATOM 859 CG2 ILE A 112 16.374 3.320 -3.368 1.00 0.00 C ATOM 860 CD1 ILE A 112 16.831 3.121 -6.060 1.00 0.00 C ATOM 0 H ILE A 112 15.523 6.627 -5.395 1.00 0.00 H new ATOM 0 HA ILE A 112 14.299 4.144 -4.919 1.00 0.00 H new ATOM 0 HB ILE A 112 16.706 5.438 -3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 112 16.560 5.262 -6.186 1.00 0.00 H new ATOM 0 HG13 ILE A 112 18.029 4.780 -5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 112 17.427 3.093 -3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 112 15.867 3.407 -2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 112 15.917 2.518 -3.948 1.00 0.00 H new ATOM 0 HD11 ILE A 112 17.349 3.062 -7.017 1.00 0.00 H new ATOM 0 HD12 ILE A 112 17.267 2.402 -5.367 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.775 2.892 -6.204 1.00 0.00 H new ATOM 872 N GLU A 113 14.553 6.011 -2.188 1.00 0.00 N ATOM 873 CA GLU A 113 13.962 6.224 -0.872 1.00 0.00 C ATOM 874 C GLU A 113 12.445 6.344 -0.977 1.00 0.00 C ATOM 875 O GLU A 113 11.709 5.732 -0.202 1.00 0.00 O ATOM 876 CB GLU A 113 14.537 7.492 -0.233 1.00 0.00 C ATOM 877 CG GLU A 113 14.669 8.590 -1.289 1.00 0.00 C ATOM 878 CD GLU A 113 15.184 9.871 -0.646 1.00 0.00 C ATOM 879 OE1 GLU A 113 15.739 9.786 0.437 1.00 0.00 O ATOM 880 OE2 GLU A 113 15.017 10.922 -1.245 1.00 0.00 O ATOM 0 H GLU A 113 15.349 6.612 -2.400 1.00 0.00 H new ATOM 0 HA GLU A 113 14.204 5.365 -0.246 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.889 7.829 0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 113 15.511 7.279 0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.351 8.269 -2.076 1.00 0.00 H new ATOM 0 HG3 GLU A 113 13.703 8.772 -1.759 1.00 0.00 H new ATOM 887 N LEU A 114 11.984 7.135 -1.938 1.00 0.00 N ATOM 888 CA LEU A 114 10.552 7.326 -2.138 1.00 0.00 C ATOM 889 C LEU A 114 9.889 5.996 -2.479 1.00 0.00 C ATOM 890 O LEU A 114 9.029 5.511 -1.743 1.00 0.00 O ATOM 891 CB LEU A 114 10.327 8.342 -3.269 1.00 0.00 C ATOM 892 CG LEU A 114 8.836 8.699 -3.420 1.00 0.00 C ATOM 893 CD1 LEU A 114 8.055 7.505 -3.983 1.00 0.00 C ATOM 894 CD2 LEU A 114 8.246 9.106 -2.063 1.00 0.00 C ATOM 0 H LEU A 114 12.576 7.652 -2.588 1.00 0.00 H new ATOM 0 HA LEU A 114 10.105 7.708 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 114 10.900 9.247 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 114 10.701 7.932 -4.207 1.00 0.00 H new ATOM 0 HG LEU A 114 8.753 9.537 -4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 114 7.003 7.773 -4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 114 8.456 7.236 -4.960 1.00 0.00 H new ATOM 0 HD13 LEU A 114 8.150 6.656 -3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 114 7.192 9.356 -2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 114 8.344 8.278 -1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 114 8.782 9.974 -1.679 1.00 0.00 H new ATOM 906 N LEU A 115 10.299 5.408 -3.598 1.00 0.00 N ATOM 907 CA LEU A 115 9.747 4.129 -4.032 1.00 0.00 C ATOM 908 C LEU A 115 9.588 3.192 -2.835 1.00 0.00 C ATOM 909 O LEU A 115 8.565 2.524 -2.687 1.00 0.00 O ATOM 910 CB LEU A 115 10.681 3.483 -5.071 1.00 0.00 C ATOM 911 CG LEU A 115 10.232 3.807 -6.509 1.00 0.00 C ATOM 912 CD1 LEU A 115 9.095 2.869 -6.921 1.00 0.00 C ATOM 913 CD2 LEU A 115 9.761 5.267 -6.617 1.00 0.00 C ATOM 0 H LEU A 115 11.009 5.795 -4.219 1.00 0.00 H new ATOM 0 HA LEU A 115 8.769 4.302 -4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.700 3.839 -4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.696 2.403 -4.927 1.00 0.00 H new ATOM 0 HG LEU A 115 11.083 3.665 -7.176 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.781 3.102 -7.938 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.441 1.836 -6.876 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.252 2.999 -6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.449 5.474 -7.641 1.00 0.00 H new ATOM 0 HD22 LEU A 115 8.921 5.429 -5.942 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.579 5.934 -6.345 1.00 0.00 H new ATOM 925 N ALA A 116 10.611 3.152 -1.986 1.00 0.00 N ATOM 926 CA ALA A 116 10.577 2.297 -0.806 1.00 0.00 C ATOM 927 C ALA A 116 9.476 2.745 0.147 1.00 0.00 C ATOM 928 O ALA A 116 8.770 1.920 0.728 1.00 0.00 O ATOM 929 CB ALA A 116 11.928 2.350 -0.089 1.00 0.00 C ATOM 0 H ALA A 116 11.467 3.697 -2.092 1.00 0.00 H new ATOM 0 HA ALA A 116 10.372 1.275 -1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 116 11.898 1.709 0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.711 2.003 -0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.139 3.375 0.215 1.00 0.00 H new ATOM 935 N ALA A 117 9.335 4.055 0.301 1.00 0.00 N ATOM 936 CA ALA A 117 8.318 4.607 1.185 1.00 0.00 C ATOM 937 C ALA A 117 6.936 4.086 0.801 1.00 0.00 C ATOM 938 O ALA A 117 6.203 3.564 1.640 1.00 0.00 O ATOM 939 CB ALA A 117 8.335 6.134 1.100 1.00 0.00 C ATOM 0 H ALA A 117 9.909 4.752 -0.173 1.00 0.00 H new ATOM 0 HA ALA A 117 8.537 4.296 2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 117 7.573 6.544 1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.315 6.504 1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.129 6.444 0.075 1.00 0.00 H new ATOM 945 N CYS A 118 6.588 4.236 -0.471 1.00 0.00 N ATOM 946 CA CYS A 118 5.291 3.777 -0.958 1.00 0.00 C ATOM 947 C CYS A 118 5.124 2.279 -0.719 1.00 0.00 C ATOM 948 O CYS A 118 4.182 1.848 -0.055 1.00 0.00 O ATOM 949 CB CYS A 118 5.163 4.069 -2.452 1.00 0.00 C ATOM 950 SG CYS A 118 5.301 5.851 -2.736 1.00 0.00 S ATOM 0 H CYS A 118 7.180 4.668 -1.180 1.00 0.00 H new ATOM 0 HA CYS A 118 4.512 4.310 -0.412 1.00 0.00 H new ATOM 0 HB2 CYS A 118 5.941 3.541 -3.004 1.00 0.00 H new ATOM 0 HB3 CYS A 118 4.205 3.704 -2.823 1.00 0.00 H new ATOM 0 HG CYS A 118 5.194 6.097 -4.008 1.00 0.00 H new ATOM 956 N ARG A 119 6.043 1.493 -1.270 1.00 0.00 N ATOM 957 CA ARG A 119 5.985 0.043 -1.116 1.00 0.00 C ATOM 958 C ARG A 119 5.829 -0.335 0.355 1.00 0.00 C ATOM 959 O ARG A 119 5.124 -1.288 0.688 1.00 0.00 O ATOM 960 CB ARG A 119 7.260 -0.594 -1.675 1.00 0.00 C ATOM 961 CG ARG A 119 7.126 -0.775 -3.190 1.00 0.00 C ATOM 962 CD ARG A 119 8.406 -1.400 -3.749 1.00 0.00 C ATOM 963 NE ARG A 119 8.147 -1.999 -5.053 1.00 0.00 N ATOM 964 CZ ARG A 119 7.893 -1.245 -6.117 1.00 0.00 C ATOM 965 NH1 ARG A 119 7.869 0.054 -6.006 1.00 0.00 N ATOM 966 NH2 ARG A 119 7.665 -1.806 -7.274 1.00 0.00 N ATOM 0 H ARG A 119 6.831 1.831 -1.823 1.00 0.00 H new ATOM 0 HA ARG A 119 5.121 -0.327 -1.669 1.00 0.00 H new ATOM 0 HB2 ARG A 119 8.121 0.035 -1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 119 7.435 -1.558 -1.198 1.00 0.00 H new ATOM 0 HG2 ARG A 119 6.270 -1.411 -3.416 1.00 0.00 H new ATOM 0 HG3 ARG A 119 6.942 0.188 -3.666 1.00 0.00 H new ATOM 0 HD2 ARG A 119 9.182 -0.639 -3.838 1.00 0.00 H new ATOM 0 HD3 ARG A 119 8.780 -2.158 -3.061 1.00 0.00 H new ATOM 0 HE ARG A 119 8.161 -3.014 -5.150 1.00 0.00 H new ATOM 0 HH11 ARG A 119 8.045 0.492 -5.102 1.00 0.00 H new ATOM 0 HH12 ARG A 119 7.674 0.632 -6.823 1.00 0.00 H new ATOM 0 HH21 ARG A 119 7.682 -2.822 -7.360 1.00 0.00 H new ATOM 0 HH22 ARG A 119 7.470 -1.228 -8.091 1.00 0.00 H new ATOM 980 N GLU A 120 6.490 0.412 1.229 1.00 0.00 N ATOM 981 CA GLU A 120 6.407 0.134 2.657 1.00 0.00 C ATOM 982 C GLU A 120 4.982 0.356 3.150 1.00 0.00 C ATOM 983 O GLU A 120 4.436 -0.460 3.890 1.00 0.00 O ATOM 984 CB GLU A 120 7.372 1.038 3.431 1.00 0.00 C ATOM 985 CG GLU A 120 8.802 0.506 3.288 1.00 0.00 C ATOM 986 CD GLU A 120 9.026 -0.661 4.242 1.00 0.00 C ATOM 987 OE1 GLU A 120 8.607 -1.759 3.913 1.00 0.00 O ATOM 988 OE2 GLU A 120 9.610 -0.440 5.291 1.00 0.00 O ATOM 0 H GLU A 120 7.082 1.204 0.980 1.00 0.00 H new ATOM 0 HA GLU A 120 6.686 -0.906 2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.313 2.058 3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.089 1.072 4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 120 8.978 0.185 2.261 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.517 1.301 3.500 1.00 0.00 H new ATOM 995 N GLU A 121 4.381 1.464 2.723 1.00 0.00 N ATOM 996 CA GLU A 121 3.013 1.775 3.120 1.00 0.00 C ATOM 997 C GLU A 121 2.090 0.630 2.710 1.00 0.00 C ATOM 998 O GLU A 121 1.164 0.274 3.438 1.00 0.00 O ATOM 999 CB GLU A 121 2.557 3.081 2.454 1.00 0.00 C ATOM 1000 CG GLU A 121 2.589 4.224 3.473 1.00 0.00 C ATOM 1001 CD GLU A 121 4.015 4.446 3.967 1.00 0.00 C ATOM 1002 OE1 GLU A 121 4.877 3.666 3.594 1.00 0.00 O ATOM 1003 OE2 GLU A 121 4.224 5.389 4.711 1.00 0.00 O ATOM 0 H GLU A 121 4.815 2.154 2.109 1.00 0.00 H new ATOM 0 HA GLU A 121 2.972 1.900 4.202 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.207 3.316 1.611 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.549 2.964 2.057 1.00 0.00 H new ATOM 0 HG2 GLU A 121 2.207 5.138 3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.937 3.990 4.314 1.00 0.00 H new ATOM 1010 N PHE A 122 2.360 0.056 1.542 1.00 0.00 N ATOM 1011 CA PHE A 122 1.561 -1.055 1.044 1.00 0.00 C ATOM 1012 C PHE A 122 1.657 -2.242 1.997 1.00 0.00 C ATOM 1013 O PHE A 122 0.659 -2.677 2.565 1.00 0.00 O ATOM 1014 CB PHE A 122 2.053 -1.481 -0.341 1.00 0.00 C ATOM 1015 CG PHE A 122 1.867 -0.371 -1.366 1.00 0.00 C ATOM 1016 CD1 PHE A 122 1.077 0.761 -1.088 1.00 0.00 C ATOM 1017 CD2 PHE A 122 2.487 -0.493 -2.615 1.00 0.00 C ATOM 1018 CE1 PHE A 122 0.913 1.754 -2.063 1.00 0.00 C ATOM 1019 CE2 PHE A 122 2.323 0.504 -3.584 1.00 0.00 C ATOM 1020 CZ PHE A 122 1.536 1.626 -3.310 1.00 0.00 C ATOM 0 H PHE A 122 3.122 0.341 0.926 1.00 0.00 H new ATOM 0 HA PHE A 122 0.523 -0.728 0.975 1.00 0.00 H new ATOM 0 HB2 PHE A 122 3.107 -1.753 -0.286 1.00 0.00 H new ATOM 0 HB3 PHE A 122 1.510 -2.370 -0.663 1.00 0.00 H new ATOM 0 HD1 PHE A 122 0.598 0.864 -0.125 1.00 0.00 H new ATOM 0 HD2 PHE A 122 3.094 -1.359 -2.832 1.00 0.00 H new ATOM 0 HE1 PHE A 122 0.304 2.621 -1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 122 2.806 0.406 -4.545 1.00 0.00 H new ATOM 0 HZ PHE A 122 1.409 2.393 -4.059 1.00 0.00 H new ATOM 1030 N HIS A 123 2.866 -2.757 2.167 1.00 0.00 N ATOM 1031 CA HIS A 123 3.086 -3.894 3.055 1.00 0.00 C ATOM 1032 C HIS A 123 2.325 -3.714 4.365 1.00 0.00 C ATOM 1033 O HIS A 123 1.618 -4.616 4.815 1.00 0.00 O ATOM 1034 CB HIS A 123 4.582 -4.028 3.344 1.00 0.00 C ATOM 1035 CG HIS A 123 4.800 -4.976 4.493 1.00 0.00 C ATOM 1036 ND1 HIS A 123 4.387 -6.298 4.453 1.00 0.00 N ATOM 1037 CD2 HIS A 123 5.391 -4.805 5.721 1.00 0.00 C ATOM 1038 CE1 HIS A 123 4.730 -6.867 5.624 1.00 0.00 C ATOM 1039 NE2 HIS A 123 5.345 -5.999 6.433 1.00 0.00 N ATOM 0 H HIS A 123 3.707 -2.410 1.706 1.00 0.00 H new ATOM 0 HA HIS A 123 2.720 -4.796 2.565 1.00 0.00 H new ATOM 0 HB2 HIS A 123 5.101 -4.392 2.457 1.00 0.00 H new ATOM 0 HB3 HIS A 123 5.004 -3.052 3.582 1.00 0.00 H new ATOM 0 HD2 HIS A 123 5.825 -3.883 6.079 1.00 0.00 H new ATOM 0 HE1 HIS A 123 4.532 -7.898 5.878 1.00 0.00 H new ATOM 0 HE2 HIS A 123 5.704 -6.175 7.372 1.00 0.00 H new ATOM 1047 N ARG A 124 2.488 -2.549 4.978 1.00 0.00 N ATOM 1048 CA ARG A 124 1.834 -2.257 6.245 1.00 0.00 C ATOM 1049 C ARG A 124 0.313 -2.360 6.126 1.00 0.00 C ATOM 1050 O ARG A 124 -0.312 -3.215 6.756 1.00 0.00 O ATOM 1051 CB ARG A 124 2.227 -0.845 6.708 1.00 0.00 C ATOM 1052 CG ARG A 124 2.665 -0.873 8.176 1.00 0.00 C ATOM 1053 CD ARG A 124 4.112 -1.362 8.276 1.00 0.00 C ATOM 1054 NE ARG A 124 5.009 -0.426 7.607 1.00 0.00 N ATOM 1055 CZ ARG A 124 6.251 -0.775 7.285 1.00 0.00 C ATOM 1056 NH1 ARG A 124 6.686 -1.973 7.566 1.00 0.00 N ATOM 1057 NH2 ARG A 124 7.035 0.081 6.690 1.00 0.00 N ATOM 0 H ARG A 124 3.068 -1.791 4.618 1.00 0.00 H new ATOM 0 HA ARG A 124 2.162 -2.994 6.978 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.037 -0.463 6.086 1.00 0.00 H new ATOM 0 HB3 ARG A 124 1.383 -0.166 6.585 1.00 0.00 H new ATOM 0 HG2 ARG A 124 2.577 0.123 8.610 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.009 -1.529 8.748 1.00 0.00 H new ATOM 0 HD2 ARG A 124 4.397 -1.464 9.323 1.00 0.00 H new ATOM 0 HD3 ARG A 124 4.202 -2.349 7.823 1.00 0.00 H new ATOM 0 HE ARG A 124 4.678 0.512 7.382 1.00 0.00 H new ATOM 0 HH11 ARG A 124 6.073 -2.642 8.033 1.00 0.00 H new ATOM 0 HH12 ARG A 124 7.639 -2.241 7.319 1.00 0.00 H new ATOM 0 HH21 ARG A 124 6.695 1.018 6.472 1.00 0.00 H new ATOM 0 HH22 ARG A 124 7.988 -0.186 6.443 1.00 0.00 H new ATOM 1071 N ARG A 125 -0.282 -1.477 5.331 1.00 0.00 N ATOM 1072 CA ARG A 125 -1.732 -1.479 5.168 1.00 0.00 C ATOM 1073 C ARG A 125 -2.222 -2.824 4.627 1.00 0.00 C ATOM 1074 O ARG A 125 -3.418 -3.118 4.666 1.00 0.00 O ATOM 1075 CB ARG A 125 -2.167 -0.338 4.239 1.00 0.00 C ATOM 1076 CG ARG A 125 -1.932 -0.723 2.779 1.00 0.00 C ATOM 1077 CD ARG A 125 -2.050 0.520 1.893 1.00 0.00 C ATOM 1078 NE ARG A 125 -1.138 1.565 2.358 1.00 0.00 N ATOM 1079 CZ ARG A 125 -1.579 2.648 3.000 1.00 0.00 C ATOM 1080 NH1 ARG A 125 -2.853 2.800 3.245 1.00 0.00 N ATOM 1081 NH2 ARG A 125 -0.730 3.557 3.394 1.00 0.00 N ATOM 0 H ARG A 125 0.208 -0.760 4.796 1.00 0.00 H new ATOM 0 HA ARG A 125 -2.183 -1.324 6.148 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -3.222 -0.113 4.397 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -1.609 0.567 4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.945 -1.170 2.665 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.660 -1.473 2.469 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -1.820 0.261 0.859 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -3.075 0.890 1.908 1.00 0.00 H new ATOM 0 HE ARG A 125 -0.138 1.463 2.187 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -3.519 2.088 2.945 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -3.182 3.631 3.736 1.00 0.00 H new ATOM 0 HH21 ARG A 125 0.266 3.438 3.211 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -1.063 4.387 3.885 1.00 0.00 H new ATOM 1095 N LEU A 126 -1.296 -3.639 4.130 1.00 0.00 N ATOM 1096 CA LEU A 126 -1.659 -4.949 3.594 1.00 0.00 C ATOM 1097 C LEU A 126 -1.884 -5.943 4.730 1.00 0.00 C ATOM 1098 O LEU A 126 -2.952 -6.544 4.838 1.00 0.00 O ATOM 1099 CB LEU A 126 -0.546 -5.473 2.665 1.00 0.00 C ATOM 1100 CG LEU A 126 -0.959 -5.346 1.187 1.00 0.00 C ATOM 1101 CD1 LEU A 126 -2.258 -6.126 0.929 1.00 0.00 C ATOM 1102 CD2 LEU A 126 -1.153 -3.866 0.822 1.00 0.00 C ATOM 0 H LEU A 126 -0.301 -3.420 4.087 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.582 -4.843 3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.373 -4.913 2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.333 -6.516 2.899 1.00 0.00 H new ATOM 0 HG LEU A 126 -0.169 -5.765 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.539 -6.028 -0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.104 -7.179 1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.054 -5.725 1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.445 -3.785 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -1.932 -3.435 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -0.219 -3.327 0.981 1.00 0.00 H new ATOM 1114 N LYS A 127 -0.869 -6.117 5.572 1.00 0.00 N ATOM 1115 CA LYS A 127 -0.974 -7.049 6.688 1.00 0.00 C ATOM 1116 C LYS A 127 -2.090 -6.631 7.644 1.00 0.00 C ATOM 1117 O LYS A 127 -2.743 -7.479 8.253 1.00 0.00 O ATOM 1118 CB LYS A 127 0.368 -7.141 7.431 1.00 0.00 C ATOM 1119 CG LYS A 127 0.561 -5.934 8.365 1.00 0.00 C ATOM 1120 CD LYS A 127 0.159 -6.311 9.798 1.00 0.00 C ATOM 1121 CE LYS A 127 -0.191 -5.047 10.585 1.00 0.00 C ATOM 1122 NZ LYS A 127 -0.067 -5.322 12.046 1.00 0.00 N ATOM 0 H LYS A 127 0.025 -5.631 5.504 1.00 0.00 H new ATOM 0 HA LYS A 127 -1.222 -8.034 6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.405 -8.064 8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.185 -7.183 6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.601 -5.610 8.344 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -0.042 -5.095 8.018 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -0.695 -6.988 9.780 1.00 0.00 H new ATOM 0 HD3 LYS A 127 0.976 -6.841 10.288 1.00 0.00 H new ATOM 0 HE2 LYS A 127 0.474 -4.232 10.300 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.206 -4.728 10.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -0.305 -4.463 12.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -0.719 -6.088 12.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 0.909 -5.607 12.264 1.00 0.00 H new ATOM 1136 N VAL A 128 -2.310 -5.324 7.771 1.00 0.00 N ATOM 1137 CA VAL A 128 -3.357 -4.831 8.658 1.00 0.00 C ATOM 1138 C VAL A 128 -4.729 -5.051 8.028 1.00 0.00 C ATOM 1139 O VAL A 128 -5.664 -5.494 8.695 1.00 0.00 O ATOM 1140 CB VAL A 128 -3.135 -3.340 8.963 1.00 0.00 C ATOM 1141 CG1 VAL A 128 -3.850 -2.465 7.931 1.00 0.00 C ATOM 1142 CG2 VAL A 128 -3.683 -3.018 10.356 1.00 0.00 C ATOM 0 H VAL A 128 -1.787 -4.600 7.280 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.315 -5.386 9.595 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.066 -3.133 8.922 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -3.680 -1.414 8.165 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -3.460 -2.683 6.937 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -4.920 -2.674 7.955 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -3.526 -1.961 10.573 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -4.750 -3.241 10.388 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -3.164 -3.622 11.100 1.00 0.00 H new ATOM 1152 N TYR A 129 -4.842 -4.747 6.739 1.00 0.00 N ATOM 1153 CA TYR A 129 -6.102 -4.926 6.034 1.00 0.00 C ATOM 1154 C TYR A 129 -6.500 -6.398 6.049 1.00 0.00 C ATOM 1155 O TYR A 129 -7.675 -6.733 6.186 1.00 0.00 O ATOM 1156 CB TYR A 129 -5.964 -4.438 4.587 1.00 0.00 C ATOM 1157 CG TYR A 129 -7.082 -5.003 3.740 1.00 0.00 C ATOM 1158 CD1 TYR A 129 -8.415 -4.728 4.067 1.00 0.00 C ATOM 1159 CD2 TYR A 129 -6.785 -5.801 2.628 1.00 0.00 C ATOM 1160 CE1 TYR A 129 -9.450 -5.253 3.282 1.00 0.00 C ATOM 1161 CE2 TYR A 129 -7.820 -6.324 1.844 1.00 0.00 C ATOM 1162 CZ TYR A 129 -9.153 -6.050 2.171 1.00 0.00 C ATOM 1163 OH TYR A 129 -10.174 -6.565 1.399 1.00 0.00 O ATOM 0 H TYR A 129 -4.082 -4.379 6.167 1.00 0.00 H new ATOM 0 HA TYR A 129 -6.875 -4.343 6.534 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.990 -3.349 4.558 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -5.000 -4.745 4.182 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.645 -4.112 4.923 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -5.757 -6.013 2.375 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -10.479 -5.042 3.535 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -7.590 -6.939 0.987 1.00 0.00 H new ATOM 0 HH TYR A 129 -10.942 -5.957 1.425 1.00 0.00 H new ATOM 1173 N HIS A 130 -5.507 -7.270 5.910 1.00 0.00 N ATOM 1174 CA HIS A 130 -5.759 -8.705 5.912 1.00 0.00 C ATOM 1175 C HIS A 130 -6.062 -9.195 7.324 1.00 0.00 C ATOM 1176 O HIS A 130 -6.846 -10.125 7.516 1.00 0.00 O ATOM 1177 CB HIS A 130 -4.542 -9.450 5.363 1.00 0.00 C ATOM 1178 CG HIS A 130 -4.428 -9.206 3.883 1.00 0.00 C ATOM 1179 ND1 HIS A 130 -5.541 -9.119 3.061 1.00 0.00 N ATOM 1180 CD2 HIS A 130 -3.342 -9.026 3.062 1.00 0.00 C ATOM 1181 CE1 HIS A 130 -5.104 -8.898 1.808 1.00 0.00 C ATOM 1182 NE2 HIS A 130 -3.771 -8.833 1.752 1.00 0.00 N ATOM 0 H HIS A 130 -4.527 -7.010 5.795 1.00 0.00 H new ATOM 0 HA HIS A 130 -6.623 -8.903 5.278 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -3.637 -9.112 5.868 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -4.637 -10.518 5.560 1.00 0.00 H new ATOM 0 HD1 HIS A 130 -6.514 -9.207 3.353 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -2.311 -9.033 3.384 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -5.752 -8.787 0.951 1.00 0.00 H new ATOM 1190 N ALA A 131 -5.438 -8.561 8.311 1.00 0.00 N ATOM 1191 CA ALA A 131 -5.650 -8.940 9.703 1.00 0.00 C ATOM 1192 C ALA A 131 -7.046 -8.530 10.158 1.00 0.00 C ATOM 1193 O ALA A 131 -7.824 -9.355 10.635 1.00 0.00 O ATOM 1194 CB ALA A 131 -4.604 -8.270 10.595 1.00 0.00 C ATOM 0 H ALA A 131 -4.786 -7.788 8.175 1.00 0.00 H new ATOM 0 HA ALA A 131 -5.553 -10.023 9.785 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -4.771 -8.560 11.632 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -3.607 -8.585 10.287 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.687 -7.187 10.503 1.00 0.00 H new ATOM 1200 N TRP A 132 -7.356 -7.249 10.002 1.00 0.00 N ATOM 1201 CA TRP A 132 -8.662 -6.733 10.392 1.00 0.00 C ATOM 1202 C TRP A 132 -9.765 -7.426 9.596 1.00 0.00 C ATOM 1203 O TRP A 132 -10.821 -7.753 10.138 1.00 0.00 O ATOM 1204 CB TRP A 132 -8.708 -5.217 10.158 1.00 0.00 C ATOM 1205 CG TRP A 132 -10.127 -4.763 10.031 1.00 0.00 C ATOM 1206 CD1 TRP A 132 -10.881 -4.268 11.040 1.00 0.00 C ATOM 1207 CD2 TRP A 132 -10.971 -4.754 8.846 1.00 0.00 C ATOM 1208 NE1 TRP A 132 -12.136 -3.957 10.547 1.00 0.00 N ATOM 1209 CE2 TRP A 132 -12.240 -4.240 9.198 1.00 0.00 C ATOM 1210 CE3 TRP A 132 -10.758 -5.141 7.511 1.00 0.00 C ATOM 1211 CZ2 TRP A 132 -13.264 -4.112 8.260 1.00 0.00 C ATOM 1212 CZ3 TRP A 132 -11.787 -5.015 6.563 1.00 0.00 C ATOM 1213 CH2 TRP A 132 -13.036 -4.501 6.936 1.00 0.00 C ATOM 0 H TRP A 132 -6.724 -6.551 9.610 1.00 0.00 H new ATOM 0 HA TRP A 132 -8.824 -6.935 11.451 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -8.224 -4.698 10.985 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -8.154 -4.963 9.254 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -10.557 -4.137 12.062 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -12.892 -3.567 11.110 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -9.798 -5.537 7.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -14.225 -3.716 8.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -11.614 -5.316 5.540 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -13.822 -4.405 6.202 1.00 0.00 H new ATOM 1224 N LYS A 133 -9.515 -7.649 8.308 1.00 0.00 N ATOM 1225 CA LYS A 133 -10.498 -8.307 7.454 1.00 0.00 C ATOM 1226 C LYS A 133 -10.735 -9.740 7.915 1.00 0.00 C ATOM 1227 O LYS A 133 -11.865 -10.228 7.904 1.00 0.00 O ATOM 1228 CB LYS A 133 -10.014 -8.308 6.004 1.00 0.00 C ATOM 1229 CG LYS A 133 -11.075 -8.965 5.114 1.00 0.00 C ATOM 1230 CD LYS A 133 -10.903 -8.480 3.674 1.00 0.00 C ATOM 1231 CE LYS A 133 -9.561 -8.969 3.121 1.00 0.00 C ATOM 1232 NZ LYS A 133 -9.577 -8.889 1.634 1.00 0.00 N ATOM 0 H LYS A 133 -8.649 -7.387 7.837 1.00 0.00 H new ATOM 0 HA LYS A 133 -11.436 -7.756 7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -9.826 -7.287 5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -9.071 -8.849 5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -10.980 -10.050 5.157 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -12.073 -8.717 5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -11.719 -8.852 3.055 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -10.947 -7.391 3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -8.748 -8.362 3.520 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -9.377 -9.995 3.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -8.666 -9.221 1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -10.343 -9.486 1.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -9.734 -7.903 1.341 1.00 0.00 H new ATOM 1246 N SER A 134 -9.661 -10.409 8.327 1.00 0.00 N ATOM 1247 CA SER A 134 -9.767 -11.786 8.795 1.00 0.00 C ATOM 1248 C SER A 134 -10.568 -11.841 10.088 1.00 0.00 C ATOM 1249 O SER A 134 -11.323 -12.783 10.328 1.00 0.00 O ATOM 1250 CB SER A 134 -8.373 -12.363 9.035 1.00 0.00 C ATOM 1251 OG SER A 134 -8.478 -13.762 9.265 1.00 0.00 O ATOM 0 H SER A 134 -8.717 -10.024 8.346 1.00 0.00 H new ATOM 0 HA SER A 134 -10.277 -12.375 8.033 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.734 -12.171 8.173 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.907 -11.876 9.892 1.00 0.00 H new ATOM 0 HG SER A 134 -7.585 -14.136 9.418 1.00 0.00 H new ATOM 1257 N LYS A 135 -10.394 -10.821 10.920 1.00 0.00 N ATOM 1258 CA LYS A 135 -11.100 -10.750 12.192 1.00 0.00 C ATOM 1259 C LYS A 135 -12.538 -10.291 11.980 1.00 0.00 C ATOM 1260 O LYS A 135 -13.440 -10.681 12.724 1.00 0.00 O ATOM 1261 CB LYS A 135 -10.378 -9.778 13.124 1.00 0.00 C ATOM 1262 CG LYS A 135 -9.087 -10.422 13.636 1.00 0.00 C ATOM 1263 CD LYS A 135 -8.213 -9.361 14.311 1.00 0.00 C ATOM 1264 CE LYS A 135 -6.797 -9.908 14.494 1.00 0.00 C ATOM 1265 NZ LYS A 135 -6.824 -11.047 15.454 1.00 0.00 N ATOM 0 H LYS A 135 -9.772 -10.034 10.737 1.00 0.00 H new ATOM 0 HA LYS A 135 -11.115 -11.743 12.642 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -10.150 -8.853 12.595 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -11.023 -9.515 13.963 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -9.322 -11.217 14.343 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -8.545 -10.881 12.809 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -8.189 -8.455 13.705 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -8.636 -9.087 15.277 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -6.396 -10.236 13.535 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -6.137 -9.123 14.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -5.850 -11.309 15.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -7.343 -10.767 16.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -7.298 -11.861 15.013 1.00 0.00 H new