USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 580 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 98 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 150 TYR OH : rot 77:sc= -0.439 USER MOD Set 2.1: A 118 LYS NZ :NH3+ 151:sc= 0.0135 (180deg=0) USER MOD Set 2.2: A 122 GLN :FLIP amide:sc= 0.0116 F(o=-0.59,f=0.025) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.42 K(o=-0.42,f=-2.9!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl 157:sc= -1.92 (180deg=-3.59!) USER MOD Single : A 124 THR OG1 : rot 157:sc= -0.126 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl 146:sc= 0 (180deg=-0.127) USER MOD Single : A 138 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0451) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -0.0569 X(o=-0.057,f=-0.55) USER MOD Single : A 144 ASN : amide:sc= -0.111 K(o=-0.11,f=-2!) USER MOD Single : A 157 MET CE :methyl -115:sc= 0 (180deg=-1.91) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N SER A 93 1.732 13.601 -3.939 1.00 0.00 N ATOM 72 CA SER A 93 2.542 12.424 -3.649 1.00 0.00 C ATOM 73 C SER A 93 1.872 11.551 -2.593 1.00 0.00 C ATOM 74 O SER A 93 1.881 10.323 -2.691 1.00 0.00 O ATOM 75 CB SER A 93 3.935 12.841 -3.173 1.00 0.00 C ATOM 76 OG SER A 93 4.838 12.938 -4.260 1.00 0.00 O ATOM 0 HA SER A 93 2.638 11.845 -4.567 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.875 13.801 -2.659 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.308 12.115 -2.450 1.00 0.00 H new ATOM 0 HG SER A 93 5.720 13.208 -3.929 1.00 0.00 H new ATOM 82 N GLU A 94 1.291 12.192 -1.585 1.00 0.00 N ATOM 83 CA GLU A 94 0.615 11.475 -0.510 1.00 0.00 C ATOM 84 C GLU A 94 -0.866 11.282 -0.828 1.00 0.00 C ATOM 85 O GLU A 94 -1.512 10.380 -0.294 1.00 0.00 O ATOM 86 CB GLU A 94 0.773 12.230 0.812 1.00 0.00 C ATOM 87 CG GLU A 94 1.194 11.343 1.972 1.00 0.00 C ATOM 88 CD GLU A 94 2.695 11.337 2.187 1.00 0.00 C ATOM 89 OE1 GLU A 94 3.436 11.198 1.191 1.00 0.00 O ATOM 90 OE2 GLU A 94 3.129 11.470 3.350 1.00 0.00 O ATOM 0 H GLU A 94 1.275 13.207 -1.490 1.00 0.00 H new ATOM 0 HA GLU A 94 1.077 10.492 -0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.512 13.021 0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.172 12.714 1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.702 11.684 2.883 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.853 10.324 1.788 1.00 0.00 H new ATOM 97 N GLU A 95 -1.400 12.136 -1.698 1.00 0.00 N ATOM 98 CA GLU A 95 -2.806 12.058 -2.084 1.00 0.00 C ATOM 99 C GLU A 95 -3.151 10.673 -2.624 1.00 0.00 C ATOM 100 O GLU A 95 -4.255 10.171 -2.409 1.00 0.00 O ATOM 101 CB GLU A 95 -3.127 13.122 -3.135 1.00 0.00 C ATOM 102 CG GLU A 95 -3.282 14.519 -2.558 1.00 0.00 C ATOM 103 CD GLU A 95 -1.989 15.056 -1.976 1.00 0.00 C ATOM 104 OE1 GLU A 95 -0.909 14.636 -2.442 1.00 0.00 O ATOM 105 OE2 GLU A 95 -2.057 15.895 -1.053 1.00 0.00 O ATOM 0 H GLU A 95 -0.881 12.889 -2.149 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.410 12.240 -1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.334 13.133 -3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.047 12.846 -3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.633 15.194 -3.339 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.047 14.505 -1.782 1.00 0.00 H new ATOM 112 N GLU A 96 -2.203 10.060 -3.325 1.00 0.00 N ATOM 113 CA GLU A 96 -2.411 8.733 -3.894 1.00 0.00 C ATOM 114 C GLU A 96 -2.738 7.719 -2.803 1.00 0.00 C ATOM 115 O GLU A 96 -3.714 6.976 -2.906 1.00 0.00 O ATOM 116 CB GLU A 96 -1.172 8.286 -4.673 1.00 0.00 C ATOM 117 CG GLU A 96 0.108 8.316 -3.854 1.00 0.00 C ATOM 118 CD GLU A 96 1.340 8.541 -4.709 1.00 0.00 C ATOM 119 OE1 GLU A 96 1.375 9.548 -5.447 1.00 0.00 O ATOM 120 OE2 GLU A 96 2.270 7.710 -4.640 1.00 0.00 O ATOM 0 H GLU A 96 -1.284 10.460 -3.513 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.258 8.787 -4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.332 7.273 -5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -1.050 8.929 -5.545 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.039 9.107 -3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.212 7.375 -3.314 1.00 0.00 H new ATOM 127 N LEU A 97 -1.920 7.696 -1.755 1.00 0.00 N ATOM 128 CA LEU A 97 -2.128 6.775 -0.644 1.00 0.00 C ATOM 129 C LEU A 97 -3.318 7.213 0.202 1.00 0.00 C ATOM 130 O LEU A 97 -4.004 6.386 0.803 1.00 0.00 O ATOM 131 CB LEU A 97 -0.873 6.692 0.223 1.00 0.00 C ATOM 132 CG LEU A 97 0.310 5.969 -0.421 1.00 0.00 C ATOM 133 CD1 LEU A 97 1.625 6.515 0.112 1.00 0.00 C ATOM 134 CD2 LEU A 97 0.210 4.471 -0.176 1.00 0.00 C ATOM 0 H LEU A 97 -1.108 8.304 -1.652 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.338 5.788 -1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.563 7.704 0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.126 6.185 1.154 1.00 0.00 H new ATOM 0 HG LEU A 97 0.281 6.145 -1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.455 5.988 -0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.696 7.579 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.668 6.370 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.059 3.969 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.216 4.277 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.716 4.093 -0.609 1.00 0.00 H new ATOM 146 N SER A 98 -3.562 8.521 0.241 1.00 0.00 N ATOM 147 CA SER A 98 -4.675 9.071 1.008 1.00 0.00 C ATOM 148 C SER A 98 -5.963 8.318 0.695 1.00 0.00 C ATOM 149 O SER A 98 -6.625 7.795 1.591 1.00 0.00 O ATOM 150 CB SER A 98 -4.852 10.559 0.699 1.00 0.00 C ATOM 151 OG SER A 98 -5.209 11.284 1.863 1.00 0.00 O ATOM 0 H SER A 98 -3.003 9.219 -0.250 1.00 0.00 H new ATOM 0 HA SER A 98 -4.450 8.955 2.068 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.926 10.960 0.287 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.621 10.686 -0.062 1.00 0.00 H new ATOM 0 HG SER A 98 -5.314 12.232 1.638 1.00 0.00 H new ATOM 157 N ASP A 99 -6.298 8.254 -0.588 1.00 0.00 N ATOM 158 CA ASP A 99 -7.492 7.549 -1.033 1.00 0.00 C ATOM 159 C ASP A 99 -7.239 6.044 -1.070 1.00 0.00 C ATOM 160 O ASP A 99 -8.176 5.246 -1.073 1.00 0.00 O ATOM 161 CB ASP A 99 -7.915 8.042 -2.418 1.00 0.00 C ATOM 162 CG ASP A 99 -8.813 9.262 -2.351 1.00 0.00 C ATOM 163 OD1 ASP A 99 -9.505 9.433 -1.325 1.00 0.00 O ATOM 164 OD2 ASP A 99 -8.824 10.046 -3.323 1.00 0.00 O ATOM 0 H ASP A 99 -5.758 8.683 -1.339 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.296 7.752 -0.326 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.026 8.281 -3.002 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.435 7.240 -2.942 1.00 0.00 H new ATOM 169 N LEU A 100 -5.963 5.666 -1.098 1.00 0.00 N ATOM 170 CA LEU A 100 -5.576 4.261 -1.136 1.00 0.00 C ATOM 171 C LEU A 100 -5.955 3.553 0.162 1.00 0.00 C ATOM 172 O LEU A 100 -6.550 2.476 0.137 1.00 0.00 O ATOM 173 CB LEU A 100 -4.070 4.137 -1.384 1.00 0.00 C ATOM 174 CG LEU A 100 -3.606 2.783 -1.922 1.00 0.00 C ATOM 175 CD1 LEU A 100 -4.295 2.466 -3.240 1.00 0.00 C ATOM 176 CD2 LEU A 100 -2.093 2.763 -2.092 1.00 0.00 C ATOM 0 H LEU A 100 -5.178 6.317 -1.095 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.114 3.781 -1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.770 4.912 -2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -3.547 4.337 -0.449 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.880 2.016 -1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.952 1.499 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.374 2.434 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.054 3.238 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.783 1.791 -2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.795 3.542 -2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.616 2.942 -1.128 1.00 0.00 H new ATOM 188 N PHE A 101 -5.612 4.159 1.298 1.00 0.00 N ATOM 189 CA PHE A 101 -5.925 3.571 2.599 1.00 0.00 C ATOM 190 C PHE A 101 -7.427 3.350 2.747 1.00 0.00 C ATOM 191 O PHE A 101 -7.873 2.257 3.095 1.00 0.00 O ATOM 192 CB PHE A 101 -5.422 4.468 3.732 1.00 0.00 C ATOM 193 CG PHE A 101 -5.156 3.730 5.015 1.00 0.00 C ATOM 194 CD1 PHE A 101 -4.293 2.643 5.044 1.00 0.00 C ATOM 195 CD2 PHE A 101 -5.765 4.126 6.195 1.00 0.00 C ATOM 196 CE1 PHE A 101 -4.044 1.968 6.226 1.00 0.00 C ATOM 197 CE2 PHE A 101 -5.522 3.454 7.378 1.00 0.00 C ATOM 198 CZ PHE A 101 -4.660 2.374 7.393 1.00 0.00 C ATOM 0 H PHE A 101 -5.120 5.051 1.344 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.420 2.607 2.659 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.506 4.963 3.412 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -6.158 5.250 3.919 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.810 2.320 4.133 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -6.438 4.971 6.190 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.369 1.125 6.236 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.005 3.773 8.290 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.468 1.848 8.317 1.00 0.00 H new ATOM 208 N ARG A 102 -8.202 4.397 2.482 1.00 0.00 N ATOM 209 CA ARG A 102 -9.654 4.323 2.587 1.00 0.00 C ATOM 210 C ARG A 102 -10.216 3.228 1.685 1.00 0.00 C ATOM 211 O ARG A 102 -11.199 2.571 2.028 1.00 0.00 O ATOM 212 CB ARG A 102 -10.276 5.672 2.218 1.00 0.00 C ATOM 213 CG ARG A 102 -11.377 6.117 3.165 1.00 0.00 C ATOM 214 CD ARG A 102 -12.067 7.374 2.662 1.00 0.00 C ATOM 215 NE ARG A 102 -11.597 8.572 3.352 1.00 0.00 N ATOM 216 CZ ARG A 102 -11.997 9.806 3.053 1.00 0.00 C ATOM 217 NH1 ARG A 102 -12.875 10.008 2.079 1.00 0.00 N ATOM 218 NH2 ARG A 102 -11.519 10.841 3.731 1.00 0.00 N ATOM 0 H ARG A 102 -7.847 5.308 2.192 1.00 0.00 H new ATOM 0 HA ARG A 102 -9.907 4.078 3.619 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.494 6.431 2.203 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.681 5.611 1.208 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -12.110 5.317 3.275 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.956 6.302 4.153 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.891 7.480 1.592 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.144 7.276 2.800 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.922 8.456 4.108 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.247 9.216 1.555 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -13.178 10.956 1.854 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -10.845 10.691 4.482 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -11.826 11.786 3.502 1.00 0.00 H new ATOM 232 N MET A 103 -9.589 3.040 0.529 1.00 0.00 N ATOM 233 CA MET A 103 -10.029 2.028 -0.425 1.00 0.00 C ATOM 234 C MET A 103 -9.403 0.667 -0.124 1.00 0.00 C ATOM 235 O MET A 103 -9.892 -0.364 -0.585 1.00 0.00 O ATOM 236 CB MET A 103 -9.678 2.457 -1.851 1.00 0.00 C ATOM 237 CG MET A 103 -10.448 1.701 -2.921 1.00 0.00 C ATOM 238 SD MET A 103 -9.726 1.893 -4.563 1.00 0.00 S ATOM 239 CE MET A 103 -8.575 0.522 -4.589 1.00 0.00 C ATOM 0 H MET A 103 -8.774 3.575 0.230 1.00 0.00 H new ATOM 0 HA MET A 103 -11.111 1.932 -0.332 1.00 0.00 H new ATOM 0 HB2 MET A 103 -9.874 3.524 -1.959 1.00 0.00 H new ATOM 0 HB3 MET A 103 -8.610 2.312 -2.013 1.00 0.00 H new ATOM 0 HG2 MET A 103 -10.477 0.642 -2.663 1.00 0.00 H new ATOM 0 HG3 MET A 103 -11.479 2.053 -2.938 1.00 0.00 H new ATOM 0 HE1 MET A 103 -8.049 0.506 -5.544 1.00 0.00 H new ATOM 0 HE2 MET A 103 -7.854 0.637 -3.780 1.00 0.00 H new ATOM 0 HE3 MET A 103 -9.120 -0.413 -4.459 1.00 0.00 H new ATOM 249 N PHE A 104 -8.319 0.668 0.646 1.00 0.00 N ATOM 250 CA PHE A 104 -7.634 -0.571 0.997 1.00 0.00 C ATOM 251 C PHE A 104 -8.184 -1.157 2.293 1.00 0.00 C ATOM 252 O PHE A 104 -8.503 -2.343 2.361 1.00 0.00 O ATOM 253 CB PHE A 104 -6.130 -0.328 1.132 1.00 0.00 C ATOM 254 CG PHE A 104 -5.301 -1.561 0.913 1.00 0.00 C ATOM 255 CD1 PHE A 104 -5.465 -2.674 1.721 1.00 0.00 C ATOM 256 CD2 PHE A 104 -4.359 -1.607 -0.102 1.00 0.00 C ATOM 257 CE1 PHE A 104 -4.705 -3.810 1.522 1.00 0.00 C ATOM 258 CE2 PHE A 104 -3.595 -2.740 -0.306 1.00 0.00 C ATOM 259 CZ PHE A 104 -3.768 -3.843 0.507 1.00 0.00 C ATOM 0 H PHE A 104 -7.897 1.510 1.038 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.810 -1.288 0.195 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -5.828 0.435 0.415 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.922 0.068 2.126 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.196 -2.653 2.516 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.220 -0.747 -0.741 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.843 -4.671 2.159 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -2.863 -2.763 -1.100 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.172 -4.730 0.350 1.00 0.00 H new ATOM 269 N ASP A 105 -8.288 -0.322 3.322 1.00 0.00 N ATOM 270 CA ASP A 105 -8.796 -0.765 4.616 1.00 0.00 C ATOM 271 C ASP A 105 -10.194 -1.365 4.480 1.00 0.00 C ATOM 272 O ASP A 105 -10.363 -2.583 4.531 1.00 0.00 O ATOM 273 CB ASP A 105 -8.815 0.400 5.610 1.00 0.00 C ATOM 274 CG ASP A 105 -8.199 0.034 6.947 1.00 0.00 C ATOM 275 OD1 ASP A 105 -7.929 -1.166 7.170 1.00 0.00 O ATOM 276 OD2 ASP A 105 -7.986 0.947 7.773 1.00 0.00 O ATOM 0 H ASP A 105 -8.028 0.664 3.285 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.128 -1.539 4.993 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -8.275 1.245 5.184 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -9.844 0.725 5.765 1.00 0.00 H new ATOM 281 N LYS A 106 -11.194 -0.503 4.306 1.00 0.00 N ATOM 282 CA LYS A 106 -12.578 -0.950 4.162 1.00 0.00 C ATOM 283 C LYS A 106 -13.097 -1.602 5.444 1.00 0.00 C ATOM 284 O LYS A 106 -14.183 -2.182 5.457 1.00 0.00 O ATOM 285 CB LYS A 106 -12.695 -1.937 3.000 1.00 0.00 C ATOM 286 CG LYS A 106 -13.291 -1.328 1.741 1.00 0.00 C ATOM 287 CD LYS A 106 -12.217 -1.005 0.713 1.00 0.00 C ATOM 288 CE LYS A 106 -12.200 -2.022 -0.418 1.00 0.00 C ATOM 289 NZ LYS A 106 -12.826 -1.484 -1.658 1.00 0.00 N ATOM 0 H LYS A 106 -11.072 0.509 4.261 1.00 0.00 H new ATOM 0 HA LYS A 106 -13.188 -0.070 3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.706 -2.332 2.769 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.311 -2.781 3.312 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -14.013 -2.020 1.308 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -13.835 -0.419 1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.391 -0.009 0.305 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -11.242 -0.984 1.199 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.171 -2.314 -0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.729 -2.922 -0.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.795 -2.207 -2.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.815 -1.229 -1.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.306 -0.640 -1.972 1.00 0.00 H new ATOM 303 N ASN A 107 -12.320 -1.507 6.518 1.00 0.00 N ATOM 304 CA ASN A 107 -12.709 -2.092 7.797 1.00 0.00 C ATOM 305 C ASN A 107 -13.206 -1.023 8.770 1.00 0.00 C ATOM 306 O ASN A 107 -13.769 -1.342 9.817 1.00 0.00 O ATOM 307 CB ASN A 107 -11.529 -2.848 8.411 1.00 0.00 C ATOM 308 CG ASN A 107 -11.930 -4.209 8.946 1.00 0.00 C ATOM 309 OD1 ASN A 107 -12.995 -4.730 8.614 1.00 0.00 O ATOM 310 ND2 ASN A 107 -11.076 -4.792 9.779 1.00 0.00 N ATOM 0 H ASN A 107 -11.418 -1.031 6.529 1.00 0.00 H new ATOM 0 HA ASN A 107 -13.527 -2.788 7.612 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -10.749 -2.971 7.659 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -11.102 -2.254 9.219 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -11.291 -5.709 10.171 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -10.205 -4.323 10.027 1.00 0.00 H new ATOM 317 N ALA A 108 -12.994 0.245 8.422 1.00 0.00 N ATOM 318 CA ALA A 108 -13.422 1.351 9.271 1.00 0.00 C ATOM 319 C ALA A 108 -12.679 1.338 10.603 1.00 0.00 C ATOM 320 O ALA A 108 -13.243 1.677 11.643 1.00 0.00 O ATOM 321 CB ALA A 108 -14.926 1.293 9.500 1.00 0.00 C ATOM 0 H ALA A 108 -12.529 0.530 7.560 1.00 0.00 H new ATOM 0 HA ALA A 108 -13.182 2.283 8.760 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -15.230 2.125 10.135 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -15.443 1.360 8.543 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -15.184 0.352 9.986 1.00 0.00 H new ATOM 327 N ASP A 109 -11.410 0.946 10.562 1.00 0.00 N ATOM 328 CA ASP A 109 -10.587 0.889 11.765 1.00 0.00 C ATOM 329 C ASP A 109 -9.423 1.870 11.672 1.00 0.00 C ATOM 330 O ASP A 109 -9.133 2.597 12.621 1.00 0.00 O ATOM 331 CB ASP A 109 -10.059 -0.530 11.982 1.00 0.00 C ATOM 332 CG ASP A 109 -9.277 -1.046 10.790 1.00 0.00 C ATOM 333 OD1 ASP A 109 -9.431 -0.480 9.688 1.00 0.00 O ATOM 334 OD2 ASP A 109 -8.510 -2.018 10.959 1.00 0.00 O ATOM 0 H ASP A 109 -10.929 0.663 9.708 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.209 1.169 12.615 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -9.421 -0.546 12.866 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.896 -1.199 12.181 1.00 0.00 H new ATOM 339 N GLY A 110 -8.759 1.886 10.520 1.00 0.00 N ATOM 340 CA GLY A 110 -7.636 2.783 10.323 1.00 0.00 C ATOM 341 C GLY A 110 -6.302 2.060 10.271 1.00 0.00 C ATOM 342 O GLY A 110 -5.250 2.697 10.213 1.00 0.00 O ATOM 0 H GLY A 110 -8.979 1.293 9.720 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -7.779 3.337 9.395 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -7.616 3.514 11.131 1.00 0.00 H new ATOM 346 N TYR A 111 -6.340 0.729 10.291 1.00 0.00 N ATOM 347 CA TYR A 111 -5.119 -0.070 10.244 1.00 0.00 C ATOM 348 C TYR A 111 -5.321 -1.314 9.384 1.00 0.00 C ATOM 349 O TYR A 111 -6.454 -1.721 9.128 1.00 0.00 O ATOM 350 CB TYR A 111 -4.689 -0.481 11.656 1.00 0.00 C ATOM 351 CG TYR A 111 -5.042 0.529 12.727 1.00 0.00 C ATOM 352 CD1 TYR A 111 -4.528 1.818 12.690 1.00 0.00 C ATOM 353 CD2 TYR A 111 -5.889 0.190 13.776 1.00 0.00 C ATOM 354 CE1 TYR A 111 -4.847 2.742 13.666 1.00 0.00 C ATOM 355 CE2 TYR A 111 -6.213 1.109 14.756 1.00 0.00 C ATOM 356 CZ TYR A 111 -5.689 2.383 14.697 1.00 0.00 C ATOM 357 OH TYR A 111 -6.009 3.301 15.671 1.00 0.00 O ATOM 0 H TYR A 111 -7.200 0.183 10.339 1.00 0.00 H new ATOM 0 HA TYR A 111 -4.334 0.542 9.799 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -5.155 -1.435 11.903 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -3.611 -0.641 11.664 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -3.868 2.103 11.885 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -6.300 -0.807 13.826 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -4.439 3.741 13.622 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -6.873 0.831 15.564 1.00 0.00 H new ATOM 0 HH TYR A 111 -6.613 2.889 16.323 1.00 0.00 H new ATOM 367 N ILE A 112 -4.220 -1.919 8.939 1.00 0.00 N ATOM 368 CA ILE A 112 -4.302 -3.117 8.110 1.00 0.00 C ATOM 369 C ILE A 112 -3.679 -4.321 8.811 1.00 0.00 C ATOM 370 O ILE A 112 -2.666 -4.200 9.499 1.00 0.00 O ATOM 371 CB ILE A 112 -3.609 -2.911 6.749 1.00 0.00 C ATOM 372 CG1 ILE A 112 -4.109 -1.621 6.091 1.00 0.00 C ATOM 373 CG2 ILE A 112 -3.850 -4.111 5.840 1.00 0.00 C ATOM 374 CD1 ILE A 112 -3.586 -1.411 4.685 1.00 0.00 C ATOM 0 H ILE A 112 -3.271 -1.602 9.137 1.00 0.00 H new ATOM 0 HA ILE A 112 -5.362 -3.309 7.943 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.535 -2.820 6.913 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.199 -1.636 6.065 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.816 -0.772 6.708 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.354 -3.948 4.883 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -3.448 -5.009 6.309 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -4.921 -4.235 5.677 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.983 -0.478 4.285 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.497 -1.363 4.705 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.901 -2.240 4.052 1.00 0.00 H new ATOM 386 N ASP A 113 -4.296 -5.485 8.632 1.00 0.00 N ATOM 387 CA ASP A 113 -3.806 -6.714 9.245 1.00 0.00 C ATOM 388 C ASP A 113 -3.563 -7.787 8.188 1.00 0.00 C ATOM 389 O ASP A 113 -3.573 -7.505 6.990 1.00 0.00 O ATOM 390 CB ASP A 113 -4.806 -7.222 10.286 1.00 0.00 C ATOM 391 CG ASP A 113 -4.124 -7.774 11.522 1.00 0.00 C ATOM 392 OD1 ASP A 113 -3.450 -6.994 12.226 1.00 0.00 O ATOM 393 OD2 ASP A 113 -4.265 -8.987 11.786 1.00 0.00 O ATOM 0 H ASP A 113 -5.137 -5.603 8.067 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.859 -6.495 9.739 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.471 -6.408 10.574 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -5.428 -7.998 9.840 1.00 0.00 H new ATOM 398 N LEU A 114 -3.344 -9.017 8.640 1.00 0.00 N ATOM 399 CA LEU A 114 -3.098 -10.132 7.733 1.00 0.00 C ATOM 400 C LEU A 114 -4.291 -10.354 6.807 1.00 0.00 C ATOM 401 O LEU A 114 -4.133 -10.805 5.672 1.00 0.00 O ATOM 402 CB LEU A 114 -2.804 -11.408 8.528 1.00 0.00 C ATOM 403 CG LEU A 114 -1.340 -11.854 8.515 1.00 0.00 C ATOM 404 CD1 LEU A 114 -0.863 -12.172 9.924 1.00 0.00 C ATOM 405 CD2 LEU A 114 -1.157 -13.060 7.604 1.00 0.00 C ATOM 0 H LEU A 114 -3.332 -9.267 9.629 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.230 -9.887 7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.112 -11.253 9.562 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.418 -12.216 8.130 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.736 -11.034 8.126 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.180 -12.487 9.893 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.955 -11.283 10.549 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.472 -12.974 10.342 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.110 -13.363 7.607 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.774 -13.884 7.962 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -1.456 -12.798 6.589 1.00 0.00 H new ATOM 417 N GLU A 115 -5.484 -10.035 7.299 1.00 0.00 N ATOM 418 CA GLU A 115 -6.703 -10.200 6.516 1.00 0.00 C ATOM 419 C GLU A 115 -6.745 -9.212 5.355 1.00 0.00 C ATOM 420 O GLU A 115 -6.854 -9.607 4.194 1.00 0.00 O ATOM 421 CB GLU A 115 -7.935 -10.012 7.404 1.00 0.00 C ATOM 422 CG GLU A 115 -8.421 -11.317 8.003 1.00 0.00 C ATOM 423 OE1 GLU A 115 -7.757 -11.830 8.928 1.00 0.00 O ATOM 424 OE2 GLU A 115 -9.467 -11.826 7.547 1.00 0.00 O ATOM 0 H GLU A 115 -5.632 -9.661 8.236 1.00 0.00 H new ATOM 0 HA GLU A 115 -6.707 -11.211 6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -7.698 -9.313 8.206 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.737 -9.564 6.818 1.00 0.00 H new ATOM 429 N GLU A 116 -6.659 -7.925 5.676 1.00 0.00 N ATOM 430 CA GLU A 116 -6.688 -6.879 4.660 1.00 0.00 C ATOM 431 C GLU A 116 -5.515 -7.022 3.695 1.00 0.00 C ATOM 432 O GLU A 116 -5.638 -6.726 2.507 1.00 0.00 O ATOM 433 CB GLU A 116 -6.662 -5.499 5.320 1.00 0.00 C ATOM 434 CG GLU A 116 -8.022 -4.820 5.362 1.00 0.00 C ATOM 435 CD GLU A 116 -8.528 -4.613 6.776 1.00 0.00 C ATOM 436 OE1 GLU A 116 -7.727 -4.198 7.640 1.00 0.00 O ATOM 437 OE2 GLU A 116 -9.727 -4.867 7.021 1.00 0.00 O ATOM 0 H GLU A 116 -6.569 -7.581 6.632 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.612 -6.983 4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -6.283 -5.599 6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.963 -4.860 4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.958 -3.855 4.858 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.742 -5.422 4.807 1.00 0.00 H new ATOM 444 N LEU A 117 -4.377 -7.478 4.212 1.00 0.00 N ATOM 445 CA LEU A 117 -3.184 -7.660 3.390 1.00 0.00 C ATOM 446 C LEU A 117 -3.489 -8.518 2.164 1.00 0.00 C ATOM 447 O LEU A 117 -2.815 -8.416 1.140 1.00 0.00 O ATOM 448 CB LEU A 117 -2.063 -8.298 4.213 1.00 0.00 C ATOM 449 CG LEU A 117 -0.668 -7.716 3.966 1.00 0.00 C ATOM 450 CD1 LEU A 117 -0.207 -6.901 5.165 1.00 0.00 C ATOM 451 CD2 LEU A 117 0.328 -8.824 3.658 1.00 0.00 C ATOM 0 H LEU A 117 -4.256 -7.728 5.194 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.857 -6.678 3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.303 -8.191 5.271 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.038 -9.366 3.998 1.00 0.00 H new ATOM 0 HG LEU A 117 -0.722 -7.054 3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 117 0.786 -6.496 4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -0.905 -6.082 5.338 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -0.171 -7.540 6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 117 1.313 -8.390 3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.378 -9.513 4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.008 -9.363 2.767 1.00 0.00 H new ATOM 463 N LYS A 118 -4.512 -9.359 2.276 1.00 0.00 N ATOM 464 CA LYS A 118 -4.912 -10.229 1.175 1.00 0.00 C ATOM 465 C LYS A 118 -5.471 -9.411 0.012 1.00 0.00 C ATOM 466 O LYS A 118 -5.511 -9.877 -1.127 1.00 0.00 O ATOM 467 CB LYS A 118 -5.958 -11.237 1.656 1.00 0.00 C ATOM 468 CG LYS A 118 -6.375 -12.240 0.593 1.00 0.00 C ATOM 469 CD LYS A 118 -7.758 -12.806 0.875 1.00 0.00 C ATOM 470 CE LYS A 118 -8.820 -11.717 0.879 1.00 0.00 C ATOM 471 NZ LYS A 118 -9.884 -11.975 -0.129 1.00 0.00 N ATOM 0 H LYS A 118 -5.079 -9.457 3.118 1.00 0.00 H new ATOM 0 HA LYS A 118 -4.031 -10.767 0.825 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -5.561 -11.776 2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -6.840 -10.696 1.998 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -6.370 -11.759 -0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -5.649 -13.052 0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -8.006 -13.554 0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -7.754 -13.314 1.839 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -9.268 -11.650 1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -8.353 -10.754 0.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -10.779 -11.557 0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -9.612 -11.548 -1.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -10.005 -13.001 -0.251 1.00 0.00 H new ATOM 485 N ILE A 119 -5.903 -8.189 0.306 1.00 0.00 N ATOM 486 CA ILE A 119 -6.461 -7.306 -0.709 1.00 0.00 C ATOM 487 C ILE A 119 -5.453 -7.043 -1.829 1.00 0.00 C ATOM 488 O ILE A 119 -5.720 -7.334 -2.995 1.00 0.00 O ATOM 489 CB ILE A 119 -6.914 -5.966 -0.083 1.00 0.00 C ATOM 490 CG1 ILE A 119 -8.190 -6.175 0.735 1.00 0.00 C ATOM 491 CG2 ILE A 119 -7.136 -4.903 -1.150 1.00 0.00 C ATOM 492 CD1 ILE A 119 -8.214 -5.395 2.030 1.00 0.00 C ATOM 0 H ILE A 119 -5.877 -7.787 1.243 1.00 0.00 H new ATOM 0 HA ILE A 119 -7.329 -7.807 -1.137 1.00 0.00 H new ATOM 0 HB ILE A 119 -6.121 -5.614 0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -9.050 -5.886 0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -8.299 -7.236 0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -7.454 -3.974 -0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -6.207 -4.734 -1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -7.907 -5.239 -1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -9.148 -5.592 2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -7.374 -5.700 2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -8.137 -4.329 1.814 1.00 0.00 H new ATOM 504 N MET A 120 -4.299 -6.490 -1.469 1.00 0.00 N ATOM 505 CA MET A 120 -3.258 -6.187 -2.448 1.00 0.00 C ATOM 506 C MET A 120 -2.879 -7.426 -3.255 1.00 0.00 C ATOM 507 O MET A 120 -2.529 -7.328 -4.432 1.00 0.00 O ATOM 508 CB MET A 120 -2.018 -5.621 -1.752 1.00 0.00 C ATOM 509 CG MET A 120 -1.547 -6.452 -0.569 1.00 0.00 C ATOM 510 SD MET A 120 -0.093 -5.752 0.234 1.00 0.00 S ATOM 511 CE MET A 120 -0.856 -4.605 1.378 1.00 0.00 C ATOM 0 H MET A 120 -4.060 -6.243 -0.509 1.00 0.00 H new ATOM 0 HA MET A 120 -3.656 -5.440 -3.134 1.00 0.00 H new ATOM 0 HB2 MET A 120 -1.208 -5.546 -2.477 1.00 0.00 H new ATOM 0 HB3 MET A 120 -2.234 -4.609 -1.410 1.00 0.00 H new ATOM 0 HG2 MET A 120 -2.355 -6.533 0.158 1.00 0.00 H new ATOM 0 HG3 MET A 120 -1.319 -7.463 -0.907 1.00 0.00 H new ATOM 0 HE1 MET A 120 -0.171 -4.403 2.202 1.00 0.00 H new ATOM 0 HE2 MET A 120 -1.086 -3.674 0.861 1.00 0.00 H new ATOM 0 HE3 MET A 120 -1.776 -5.039 1.769 1.00 0.00 H new ATOM 521 N LEU A 121 -2.952 -8.589 -2.618 1.00 0.00 N ATOM 522 CA LEU A 121 -2.616 -9.846 -3.279 1.00 0.00 C ATOM 523 C LEU A 121 -3.507 -10.073 -4.498 1.00 0.00 C ATOM 524 O LEU A 121 -3.040 -10.516 -5.547 1.00 0.00 O ATOM 525 CB LEU A 121 -2.752 -11.013 -2.292 1.00 0.00 C ATOM 526 CG LEU A 121 -2.765 -12.416 -2.911 1.00 0.00 C ATOM 527 CD1 LEU A 121 -4.153 -12.760 -3.430 1.00 0.00 C ATOM 528 CD2 LEU A 121 -1.733 -12.528 -4.024 1.00 0.00 C ATOM 0 H LEU A 121 -3.241 -8.688 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.582 -9.791 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -1.929 -10.959 -1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.673 -10.879 -1.725 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.502 -13.132 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -4.141 -13.759 -3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -4.867 -12.731 -2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.447 -12.036 -4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.762 -13.532 -4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.958 -11.799 -4.803 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.740 -12.333 -3.620 1.00 0.00 H new ATOM 540 N GLN A 122 -4.792 -9.764 -4.354 1.00 0.00 N ATOM 541 CA GLN A 122 -5.747 -9.934 -5.444 1.00 0.00 C ATOM 542 C GLN A 122 -5.253 -9.253 -6.720 1.00 0.00 C ATOM 543 O GLN A 122 -5.629 -9.640 -7.826 1.00 0.00 O ATOM 544 CB GLN A 122 -7.112 -9.369 -5.044 1.00 0.00 C ATOM 545 CG GLN A 122 -8.262 -10.332 -5.286 1.00 0.00 C ATOM 546 CD GLN A 122 -8.589 -11.168 -4.065 1.00 0.00 C ATOM 547 OE1 GLN A 122 -9.414 -10.624 -3.178 1.00 0.00 O flip ATOM 548 NE2 GLN A 122 -8.105 -12.291 -3.919 1.00 0.00 N flip ATOM 0 H GLN A 122 -5.196 -9.395 -3.493 1.00 0.00 H new ATOM 0 HA GLN A 122 -5.845 -11.001 -5.643 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -7.090 -9.101 -3.988 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -7.294 -8.451 -5.603 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -9.146 -9.769 -5.583 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -8.010 -10.992 -6.116 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -7.475 -12.671 -4.626 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -8.334 -12.841 -3.091 1.00 0.00 H new ATOM 557 N ALA A 123 -4.412 -8.237 -6.556 1.00 0.00 N ATOM 558 CA ALA A 123 -3.869 -7.503 -7.692 1.00 0.00 C ATOM 559 C ALA A 123 -2.872 -8.348 -8.480 1.00 0.00 C ATOM 560 O ALA A 123 -2.646 -8.108 -9.666 1.00 0.00 O ATOM 561 CB ALA A 123 -3.210 -6.216 -7.219 1.00 0.00 C ATOM 0 H ALA A 123 -4.092 -7.904 -5.647 1.00 0.00 H new ATOM 0 HA ALA A 123 -4.697 -7.258 -8.358 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -2.808 -5.676 -8.077 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -3.948 -5.594 -6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -2.401 -6.454 -6.529 1.00 0.00 H new ATOM 567 N THR A 124 -2.273 -9.334 -7.818 1.00 0.00 N ATOM 568 CA THR A 124 -1.297 -10.202 -8.469 1.00 0.00 C ATOM 569 C THR A 124 -1.892 -11.576 -8.770 1.00 0.00 C ATOM 570 O THR A 124 -1.654 -12.145 -9.835 1.00 0.00 O ATOM 571 CB THR A 124 -0.050 -10.347 -7.595 1.00 0.00 C ATOM 572 OG1 THR A 124 0.887 -11.219 -8.200 1.00 0.00 O ATOM 573 CG2 THR A 124 -0.344 -10.877 -6.209 1.00 0.00 C ATOM 0 H THR A 124 -2.445 -9.551 -6.836 1.00 0.00 H new ATOM 0 HA THR A 124 -1.016 -9.741 -9.416 1.00 0.00 H new ATOM 0 HB THR A 124 0.352 -9.338 -7.500 1.00 0.00 H new ATOM 0 HG1 THR A 124 1.783 -11.030 -7.850 1.00 0.00 H new ATOM 0 HG21 THR A 124 0.585 -10.954 -5.644 1.00 0.00 H new ATOM 0 HG22 THR A 124 -1.025 -10.197 -5.696 1.00 0.00 H new ATOM 0 HG23 THR A 124 -0.805 -11.862 -6.286 1.00 0.00 H new ATOM 581 N GLY A 125 -2.669 -12.101 -7.830 1.00 0.00 N ATOM 582 CA GLY A 125 -3.288 -13.401 -8.018 1.00 0.00 C ATOM 583 C GLY A 125 -2.275 -14.518 -8.187 1.00 0.00 C ATOM 584 O GLY A 125 -2.559 -15.527 -8.833 1.00 0.00 O ATOM 0 H GLY A 125 -2.882 -11.650 -6.940 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -3.925 -13.622 -7.162 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.934 -13.367 -8.896 1.00 0.00 H new ATOM 588 N GLU A 126 -1.094 -14.343 -7.603 1.00 0.00 N ATOM 589 CA GLU A 126 -0.041 -15.350 -7.690 1.00 0.00 C ATOM 590 C GLU A 126 0.073 -16.123 -6.381 1.00 0.00 C ATOM 591 O GLU A 126 1.173 -16.380 -5.891 1.00 0.00 O ATOM 592 CB GLU A 126 1.298 -14.692 -8.031 1.00 0.00 C ATOM 593 CG GLU A 126 1.807 -13.749 -6.952 1.00 0.00 C ATOM 594 CD GLU A 126 3.157 -13.148 -7.293 1.00 0.00 C ATOM 595 OE1 GLU A 126 3.188 -12.126 -8.010 1.00 0.00 O ATOM 596 OE2 GLU A 126 4.183 -13.700 -6.844 1.00 0.00 O ATOM 0 H GLU A 126 -0.842 -13.514 -7.065 1.00 0.00 H new ATOM 0 HA GLU A 126 -0.302 -16.050 -8.484 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.042 -15.470 -8.202 1.00 0.00 H new ATOM 0 HB3 GLU A 126 1.194 -14.139 -8.965 1.00 0.00 H new ATOM 0 HG2 GLU A 126 1.083 -12.947 -6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 126 1.882 -14.289 -6.008 1.00 0.00 H new ATOM 603 N THR A 127 -1.073 -16.488 -5.817 1.00 0.00 N ATOM 604 CA THR A 127 -1.106 -17.225 -4.561 1.00 0.00 C ATOM 605 C THR A 127 -0.468 -16.396 -3.440 1.00 0.00 C ATOM 606 O THR A 127 -1.089 -15.460 -2.939 1.00 0.00 O ATOM 607 CB THR A 127 -0.406 -18.580 -4.720 1.00 0.00 C ATOM 608 OG1 THR A 127 -1.063 -19.369 -5.695 1.00 0.00 O ATOM 609 CG2 THR A 127 -0.356 -19.384 -3.438 1.00 0.00 C ATOM 0 H THR A 127 -1.992 -16.285 -6.211 1.00 0.00 H new ATOM 0 HA THR A 127 -2.144 -17.414 -4.289 1.00 0.00 H new ATOM 0 HB THR A 127 0.615 -18.345 -5.021 1.00 0.00 H new ATOM 0 HG1 THR A 127 -0.602 -20.229 -5.785 1.00 0.00 H new ATOM 0 HG21 THR A 127 0.152 -20.331 -3.622 1.00 0.00 H new ATOM 0 HG22 THR A 127 0.186 -18.823 -2.677 1.00 0.00 H new ATOM 0 HG23 THR A 127 -1.371 -19.579 -3.091 1.00 0.00 H new ATOM 617 N ILE A 128 0.770 -16.731 -3.055 1.00 0.00 N ATOM 618 CA ILE A 128 1.482 -16.002 -2.000 1.00 0.00 C ATOM 619 C ILE A 128 0.558 -15.612 -0.849 1.00 0.00 C ATOM 620 O ILE A 128 0.765 -14.591 -0.194 1.00 0.00 O ATOM 621 CB ILE A 128 2.142 -14.729 -2.562 1.00 0.00 C ATOM 622 CG1 ILE A 128 1.077 -13.719 -2.997 1.00 0.00 C ATOM 623 CG2 ILE A 128 3.045 -15.084 -3.728 1.00 0.00 C ATOM 624 CD1 ILE A 128 1.523 -12.281 -2.883 1.00 0.00 C ATOM 0 H ILE A 128 1.299 -17.503 -3.460 1.00 0.00 H new ATOM 0 HA ILE A 128 2.247 -16.678 -1.618 1.00 0.00 H new ATOM 0 HB ILE A 128 2.745 -14.272 -1.778 1.00 0.00 H new ATOM 0 HG12 ILE A 128 0.796 -13.922 -4.030 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.183 -13.862 -2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 128 3.507 -14.178 -4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.821 -15.771 -3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 128 2.456 -15.559 -4.513 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.717 -11.623 -3.208 1.00 0.00 H new ATOM 0 HD12 ILE A 128 1.776 -12.060 -1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 128 2.399 -12.121 -3.512 1.00 0.00 H new ATOM 636 N THR A 129 -0.466 -16.418 -0.621 1.00 0.00 N ATOM 637 CA THR A 129 -1.427 -16.141 0.437 1.00 0.00 C ATOM 638 C THR A 129 -1.048 -16.852 1.728 1.00 0.00 C ATOM 639 O THR A 129 -0.561 -17.983 1.709 1.00 0.00 O ATOM 640 CB THR A 129 -2.829 -16.550 -0.009 1.00 0.00 C ATOM 641 OG1 THR A 129 -2.854 -17.909 -0.410 1.00 0.00 O ATOM 642 CG2 THR A 129 -3.342 -15.718 -1.165 1.00 0.00 C ATOM 0 H THR A 129 -0.654 -17.268 -1.152 1.00 0.00 H new ATOM 0 HA THR A 129 -1.417 -15.069 0.634 1.00 0.00 H new ATOM 0 HB THR A 129 -3.473 -16.388 0.856 1.00 0.00 H new ATOM 0 HG1 THR A 129 -3.761 -18.151 -0.690 1.00 0.00 H new ATOM 0 HG21 THR A 129 -4.342 -16.053 -1.439 1.00 0.00 H new ATOM 0 HG22 THR A 129 -3.379 -14.669 -0.870 1.00 0.00 H new ATOM 0 HG23 THR A 129 -2.675 -15.831 -2.019 1.00 0.00 H new ATOM 650 N GLU A 130 -1.268 -16.173 2.851 1.00 0.00 N ATOM 651 CA GLU A 130 -0.947 -16.722 4.166 1.00 0.00 C ATOM 652 C GLU A 130 0.564 -16.801 4.369 1.00 0.00 C ATOM 653 O GLU A 130 1.112 -16.172 5.274 1.00 0.00 O ATOM 654 CB GLU A 130 -1.579 -18.108 4.345 1.00 0.00 C ATOM 655 CG GLU A 130 -2.778 -18.111 5.279 1.00 0.00 C ATOM 656 CD GLU A 130 -2.440 -18.635 6.661 1.00 0.00 C ATOM 657 OE1 GLU A 130 -1.582 -18.026 7.334 1.00 0.00 O ATOM 658 OE2 GLU A 130 -3.034 -19.654 7.072 1.00 0.00 O ATOM 0 H GLU A 130 -1.670 -15.236 2.876 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.361 -16.051 4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -1.887 -18.487 3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -0.826 -18.795 4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -3.170 -17.097 5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -3.569 -18.723 4.846 1.00 0.00 H new ATOM 665 N ASP A 131 1.233 -17.578 3.522 1.00 0.00 N ATOM 666 CA ASP A 131 2.680 -17.739 3.611 1.00 0.00 C ATOM 667 C ASP A 131 3.399 -16.406 3.418 1.00 0.00 C ATOM 668 O ASP A 131 4.163 -15.974 4.281 1.00 0.00 O ATOM 669 CB ASP A 131 3.165 -18.748 2.568 1.00 0.00 C ATOM 670 CG ASP A 131 2.574 -20.128 2.780 1.00 0.00 C ATOM 671 OD1 ASP A 131 1.433 -20.214 3.283 1.00 0.00 O ATOM 672 OD2 ASP A 131 3.251 -21.122 2.444 1.00 0.00 O ATOM 0 H ASP A 131 0.796 -18.106 2.766 1.00 0.00 H new ATOM 0 HA ASP A 131 2.914 -18.111 4.608 1.00 0.00 H new ATOM 0 HB2 ASP A 131 2.901 -18.392 1.572 1.00 0.00 H new ATOM 0 HB3 ASP A 131 4.252 -18.812 2.606 1.00 0.00 H new ATOM 677 N ASP A 132 3.156 -15.760 2.280 1.00 0.00 N ATOM 678 CA ASP A 132 3.789 -14.480 1.981 1.00 0.00 C ATOM 679 C ASP A 132 3.104 -13.340 2.729 1.00 0.00 C ATOM 680 O ASP A 132 3.762 -12.425 3.224 1.00 0.00 O ATOM 681 CB ASP A 132 3.758 -14.214 0.474 1.00 0.00 C ATOM 682 CG ASP A 132 5.146 -14.066 -0.116 1.00 0.00 C ATOM 683 OD1 ASP A 132 5.675 -12.934 -0.113 1.00 0.00 O ATOM 684 OD2 ASP A 132 5.705 -15.081 -0.582 1.00 0.00 O ATOM 0 H ASP A 132 2.527 -16.101 1.553 1.00 0.00 H new ATOM 0 HA ASP A 132 4.826 -14.530 2.313 1.00 0.00 H new ATOM 0 HB2 ASP A 132 3.239 -15.032 -0.026 1.00 0.00 H new ATOM 0 HB3 ASP A 132 3.185 -13.307 0.280 1.00 0.00 H new ATOM 689 N ILE A 133 1.779 -13.402 2.806 1.00 0.00 N ATOM 690 CA ILE A 133 1.003 -12.377 3.492 1.00 0.00 C ATOM 691 C ILE A 133 1.465 -12.210 4.938 1.00 0.00 C ATOM 692 O ILE A 133 1.403 -11.116 5.498 1.00 0.00 O ATOM 693 CB ILE A 133 -0.497 -12.710 3.460 1.00 0.00 C ATOM 694 CG1 ILE A 133 -0.976 -12.722 2.005 1.00 0.00 C ATOM 695 CG2 ILE A 133 -1.289 -11.709 4.300 1.00 0.00 C ATOM 696 CD1 ILE A 133 -2.475 -12.656 1.851 1.00 0.00 C ATOM 0 H ILE A 133 1.220 -14.153 2.401 1.00 0.00 H new ATOM 0 HA ILE A 133 1.166 -11.437 2.964 1.00 0.00 H new ATOM 0 HB ILE A 133 -0.663 -13.696 3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -0.530 -11.878 1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -0.611 -13.628 1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -2.349 -11.962 4.264 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -0.942 -11.745 5.333 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -1.142 -10.704 3.903 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -2.733 -12.669 0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -2.930 -13.514 2.346 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -2.847 -11.737 2.304 1.00 0.00 H new ATOM 708 N GLU A 134 1.928 -13.302 5.535 1.00 0.00 N ATOM 709 CA GLU A 134 2.401 -13.276 6.914 1.00 0.00 C ATOM 710 C GLU A 134 3.783 -12.638 7.006 1.00 0.00 C ATOM 711 O GLU A 134 4.137 -12.044 8.025 1.00 0.00 O ATOM 712 CB GLU A 134 2.441 -14.694 7.488 1.00 0.00 C ATOM 713 CG GLU A 134 2.889 -14.750 8.939 1.00 0.00 C ATOM 714 CD GLU A 134 2.465 -16.031 9.631 1.00 0.00 C ATOM 715 OE1 GLU A 134 1.249 -16.318 9.654 1.00 0.00 O ATOM 716 OE2 GLU A 134 3.347 -16.746 10.149 1.00 0.00 O ATOM 0 H GLU A 134 1.986 -14.216 5.086 1.00 0.00 H new ATOM 0 HA GLU A 134 1.705 -12.674 7.498 1.00 0.00 H new ATOM 0 HB2 GLU A 134 1.449 -15.139 7.405 1.00 0.00 H new ATOM 0 HB3 GLU A 134 3.115 -15.302 6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.974 -14.659 8.984 1.00 0.00 H new ATOM 0 HG3 GLU A 134 2.475 -13.897 9.476 1.00 0.00 H new ATOM 723 N GLU A 135 4.562 -12.765 5.936 1.00 0.00 N ATOM 724 CA GLU A 135 5.907 -12.202 5.898 1.00 0.00 C ATOM 725 C GLU A 135 5.878 -10.743 5.451 1.00 0.00 C ATOM 726 O GLU A 135 6.621 -9.911 5.969 1.00 0.00 O ATOM 727 CB GLU A 135 6.799 -13.018 4.960 1.00 0.00 C ATOM 728 CG GLU A 135 7.591 -14.106 5.668 1.00 0.00 C ATOM 729 CD GLU A 135 9.030 -14.180 5.197 1.00 0.00 C ATOM 730 OE1 GLU A 135 9.258 -14.623 4.051 1.00 0.00 O ATOM 731 OE2 GLU A 135 9.930 -13.795 5.973 1.00 0.00 O ATOM 0 H GLU A 135 4.285 -13.253 5.084 1.00 0.00 H new ATOM 0 HA GLU A 135 6.318 -12.244 6.907 1.00 0.00 H new ATOM 0 HB2 GLU A 135 6.179 -13.475 4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 135 7.492 -12.346 4.455 1.00 0.00 H new ATOM 0 HG2 GLU A 135 7.573 -13.922 6.742 1.00 0.00 H new ATOM 0 HG3 GLU A 135 7.108 -15.069 5.501 1.00 0.00 H new ATOM 738 N LEU A 136 5.017 -10.440 4.484 1.00 0.00 N ATOM 739 CA LEU A 136 4.897 -9.081 3.970 1.00 0.00 C ATOM 740 C LEU A 136 4.416 -8.127 5.057 1.00 0.00 C ATOM 741 O LEU A 136 4.982 -7.052 5.250 1.00 0.00 O ATOM 742 CB LEU A 136 3.932 -9.040 2.782 1.00 0.00 C ATOM 743 CG LEU A 136 3.665 -7.644 2.212 1.00 0.00 C ATOM 744 CD1 LEU A 136 4.960 -6.855 2.112 1.00 0.00 C ATOM 745 CD2 LEU A 136 2.990 -7.741 0.851 1.00 0.00 C ATOM 0 H LEU A 136 4.394 -11.116 4.042 1.00 0.00 H new ATOM 0 HA LEU A 136 5.885 -8.761 3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 136 4.331 -9.670 1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 136 2.982 -9.478 3.089 1.00 0.00 H new ATOM 0 HG LEU A 136 2.993 -7.118 2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 136 4.753 -5.865 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 136 5.402 -6.754 3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.655 -7.379 1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 136 2.809 -6.739 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 136 3.636 -8.286 0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 136 2.041 -8.268 0.952 1.00 0.00 H new ATOM 757 N MET A 137 3.362 -8.530 5.759 1.00 0.00 N ATOM 758 CA MET A 137 2.784 -7.721 6.831 1.00 0.00 C ATOM 759 C MET A 137 3.869 -7.111 7.717 1.00 0.00 C ATOM 760 O MET A 137 3.696 -6.022 8.263 1.00 0.00 O ATOM 761 CB MET A 137 1.837 -8.569 7.681 1.00 0.00 C ATOM 762 CG MET A 137 0.857 -7.747 8.504 1.00 0.00 C ATOM 763 SD MET A 137 0.627 -8.400 10.169 1.00 0.00 S ATOM 764 CE MET A 137 0.153 -6.916 11.052 1.00 0.00 C ATOM 0 H MET A 137 2.886 -9.419 5.604 1.00 0.00 H new ATOM 0 HA MET A 137 2.226 -6.907 6.369 1.00 0.00 H new ATOM 0 HB2 MET A 137 1.278 -9.239 7.028 1.00 0.00 H new ATOM 0 HB3 MET A 137 2.426 -9.195 8.351 1.00 0.00 H new ATOM 0 HG2 MET A 137 1.215 -6.719 8.567 1.00 0.00 H new ATOM 0 HG3 MET A 137 -0.105 -7.718 7.993 1.00 0.00 H new ATOM 0 HE1 MET A 137 -0.563 -7.171 11.834 1.00 0.00 H new ATOM 0 HE2 MET A 137 1.036 -6.463 11.502 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.303 -6.210 10.358 1.00 0.00 H new ATOM 774 N LYS A 138 4.988 -7.817 7.851 1.00 0.00 N ATOM 775 CA LYS A 138 6.099 -7.338 8.667 1.00 0.00 C ATOM 776 C LYS A 138 6.543 -5.950 8.213 1.00 0.00 C ATOM 777 O LYS A 138 7.008 -5.141 9.015 1.00 0.00 O ATOM 778 CB LYS A 138 7.275 -8.317 8.593 1.00 0.00 C ATOM 779 CG LYS A 138 7.797 -8.743 9.955 1.00 0.00 C ATOM 780 CD LYS A 138 9.033 -7.953 10.352 1.00 0.00 C ATOM 781 CE LYS A 138 10.282 -8.495 9.675 1.00 0.00 C ATOM 782 NZ LYS A 138 10.747 -9.764 10.301 1.00 0.00 N ATOM 0 H LYS A 138 5.149 -8.721 7.406 1.00 0.00 H new ATOM 0 HA LYS A 138 5.759 -7.272 9.701 1.00 0.00 H new ATOM 0 HB2 LYS A 138 6.965 -9.203 8.038 1.00 0.00 H new ATOM 0 HB3 LYS A 138 8.086 -7.856 8.030 1.00 0.00 H new ATOM 0 HG2 LYS A 138 7.018 -8.602 10.704 1.00 0.00 H new ATOM 0 HG3 LYS A 138 8.034 -9.807 9.938 1.00 0.00 H new ATOM 0 HD2 LYS A 138 8.898 -6.905 10.084 1.00 0.00 H new ATOM 0 HD3 LYS A 138 9.159 -7.991 11.434 1.00 0.00 H new ATOM 0 HE2 LYS A 138 10.077 -8.665 8.618 1.00 0.00 H new ATOM 0 HE3 LYS A 138 11.077 -7.751 9.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 11.686 -10.011 9.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 10.805 -9.642 11.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 10.075 -10.527 10.080 1.00 0.00 H new ATOM 796 N ASP A 139 6.388 -5.681 6.920 1.00 0.00 N ATOM 797 CA ASP A 139 6.765 -4.392 6.354 1.00 0.00 C ATOM 798 C ASP A 139 5.824 -3.295 6.841 1.00 0.00 C ATOM 799 O ASP A 139 6.267 -2.260 7.339 1.00 0.00 O ATOM 800 CB ASP A 139 6.746 -4.455 4.826 1.00 0.00 C ATOM 801 CG ASP A 139 7.633 -3.401 4.193 1.00 0.00 C ATOM 802 OD1 ASP A 139 7.796 -2.320 4.797 1.00 0.00 O ATOM 803 OD2 ASP A 139 8.165 -3.656 3.092 1.00 0.00 O ATOM 0 H ASP A 139 6.003 -6.341 6.244 1.00 0.00 H new ATOM 0 HA ASP A 139 7.776 -4.157 6.686 1.00 0.00 H new ATOM 0 HB2 ASP A 139 7.072 -5.443 4.502 1.00 0.00 H new ATOM 0 HB3 ASP A 139 5.723 -4.325 4.472 1.00 0.00 H new ATOM 808 N GLY A 140 4.523 -3.531 6.699 1.00 0.00 N ATOM 809 CA GLY A 140 3.541 -2.555 7.135 1.00 0.00 C ATOM 810 C GLY A 140 3.687 -2.216 8.605 1.00 0.00 C ATOM 811 O GLY A 140 4.034 -1.090 8.959 1.00 0.00 O ATOM 0 H GLY A 140 4.132 -4.380 6.290 1.00 0.00 H new ATOM 0 HA2 GLY A 140 3.646 -1.646 6.542 1.00 0.00 H new ATOM 0 HA3 GLY A 140 2.539 -2.942 6.951 1.00 0.00 H new ATOM 815 N ASP A 141 3.422 -3.196 9.460 1.00 0.00 N ATOM 816 CA ASP A 141 3.526 -3.003 10.901 1.00 0.00 C ATOM 817 C ASP A 141 4.966 -3.191 11.369 1.00 0.00 C ATOM 818 O ASP A 141 5.408 -4.313 11.617 1.00 0.00 O ATOM 819 CB ASP A 141 2.600 -3.979 11.631 1.00 0.00 C ATOM 820 CG ASP A 141 2.719 -3.877 13.139 1.00 0.00 C ATOM 821 OD1 ASP A 141 2.849 -2.745 13.649 1.00 0.00 O ATOM 822 OD2 ASP A 141 2.683 -4.930 13.809 1.00 0.00 O ATOM 0 H ASP A 141 3.133 -4.133 9.180 1.00 0.00 H new ATOM 0 HA ASP A 141 3.221 -1.983 11.135 1.00 0.00 H new ATOM 0 HB2 ASP A 141 1.569 -3.784 11.337 1.00 0.00 H new ATOM 0 HB3 ASP A 141 2.833 -4.997 11.320 1.00 0.00 H new ATOM 827 N LYS A 142 5.694 -2.085 11.484 1.00 0.00 N ATOM 828 CA LYS A 142 7.086 -2.126 11.920 1.00 0.00 C ATOM 829 C LYS A 142 7.267 -1.376 13.236 1.00 0.00 C ATOM 830 O LYS A 142 8.312 -0.773 13.481 1.00 0.00 O ATOM 831 CB LYS A 142 7.994 -1.525 10.846 1.00 0.00 C ATOM 832 CG LYS A 142 9.182 -2.404 10.492 1.00 0.00 C ATOM 833 CD LYS A 142 10.464 -1.896 11.134 1.00 0.00 C ATOM 834 CE LYS A 142 10.985 -0.653 10.431 1.00 0.00 C ATOM 835 NZ LYS A 142 12.464 -0.689 10.263 1.00 0.00 N ATOM 0 H LYS A 142 5.343 -1.149 11.281 1.00 0.00 H new ATOM 0 HA LYS A 142 7.362 -3.169 12.078 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.407 -1.343 9.946 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.359 -0.557 11.190 1.00 0.00 H new ATOM 0 HG2 LYS A 142 8.990 -3.426 10.820 1.00 0.00 H new ATOM 0 HG3 LYS A 142 9.304 -2.434 9.409 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.282 -1.671 12.185 1.00 0.00 H new ATOM 0 HD3 LYS A 142 11.223 -2.678 11.102 1.00 0.00 H new ATOM 0 HE2 LYS A 142 10.511 -0.563 9.454 1.00 0.00 H new ATOM 0 HE3 LYS A 142 10.706 0.232 11.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 12.780 0.176 9.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 12.918 -0.749 11.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 12.729 -1.519 9.695 1.00 0.00 H new ATOM 849 N ASN A 143 6.242 -1.419 14.080 1.00 0.00 N ATOM 850 CA ASN A 143 6.286 -0.744 15.373 1.00 0.00 C ATOM 851 C ASN A 143 6.235 -1.748 16.525 1.00 0.00 C ATOM 852 O ASN A 143 6.159 -1.360 17.691 1.00 0.00 O ATOM 853 CB ASN A 143 5.126 0.247 15.492 1.00 0.00 C ATOM 854 CG ASN A 143 5.546 1.668 15.175 1.00 0.00 C ATOM 855 OD1 ASN A 143 6.583 2.141 15.640 1.00 0.00 O ATOM 856 ND2 ASN A 143 4.739 2.360 14.378 1.00 0.00 N ATOM 0 H ASN A 143 5.370 -1.914 13.892 1.00 0.00 H new ATOM 0 HA ASN A 143 7.230 -0.202 15.436 1.00 0.00 H new ATOM 0 HB2 ASN A 143 4.325 -0.052 14.815 1.00 0.00 H new ATOM 0 HB3 ASN A 143 4.720 0.208 16.503 1.00 0.00 H new ATOM 0 HD21 ASN A 143 4.970 3.322 14.130 1.00 0.00 H new ATOM 0 HD22 ASN A 143 3.889 1.929 14.014 1.00 0.00 H new ATOM 863 N ASN A 144 6.280 -3.037 16.196 1.00 0.00 N ATOM 864 CA ASN A 144 6.241 -4.084 17.209 1.00 0.00 C ATOM 865 C ASN A 144 4.952 -4.010 18.023 1.00 0.00 C ATOM 866 O ASN A 144 4.968 -4.161 19.245 1.00 0.00 O ATOM 867 CB ASN A 144 7.453 -3.966 18.135 1.00 0.00 C ATOM 868 CG ASN A 144 8.012 -5.318 18.531 1.00 0.00 C ATOM 869 OD1 ASN A 144 7.422 -6.358 18.237 1.00 0.00 O ATOM 870 ND2 ASN A 144 9.157 -5.310 19.204 1.00 0.00 N ATOM 0 H ASN A 144 6.343 -3.379 15.237 1.00 0.00 H new ATOM 0 HA ASN A 144 6.270 -5.049 16.702 1.00 0.00 H new ATOM 0 HB2 ASN A 144 8.231 -3.386 17.639 1.00 0.00 H new ATOM 0 HB3 ASN A 144 7.169 -3.416 19.032 1.00 0.00 H new ATOM 0 HD21 ASN A 144 9.582 -6.189 19.499 1.00 0.00 H new ATOM 0 HD22 ASN A 144 9.612 -4.424 19.426 1.00 0.00 H new ATOM 877 N ASP A 145 3.837 -3.778 17.337 1.00 0.00 N ATOM 878 CA ASP A 145 2.539 -3.685 17.996 1.00 0.00 C ATOM 879 C ASP A 145 1.587 -4.755 17.472 1.00 0.00 C ATOM 880 O ASP A 145 0.862 -5.387 18.241 1.00 0.00 O ATOM 881 CB ASP A 145 1.933 -2.297 17.784 1.00 0.00 C ATOM 882 CG ASP A 145 1.996 -1.853 16.336 1.00 0.00 C ATOM 883 OD1 ASP A 145 3.115 -1.600 15.841 1.00 0.00 O ATOM 884 OD2 ASP A 145 0.927 -1.758 15.697 1.00 0.00 O ATOM 0 H ASP A 145 3.806 -3.651 16.325 1.00 0.00 H new ATOM 0 HA ASP A 145 2.688 -3.848 19.063 1.00 0.00 H new ATOM 0 HB2 ASP A 145 0.894 -2.303 18.114 1.00 0.00 H new ATOM 0 HB3 ASP A 145 2.461 -1.574 18.406 1.00 0.00 H new ATOM 889 N GLY A 146 1.594 -4.953 16.158 1.00 0.00 N ATOM 890 CA GLY A 146 0.728 -5.947 15.551 1.00 0.00 C ATOM 891 C GLY A 146 -0.298 -5.339 14.612 1.00 0.00 C ATOM 892 O GLY A 146 -1.273 -5.995 14.243 1.00 0.00 O ATOM 0 H GLY A 146 2.185 -4.442 15.502 1.00 0.00 H new ATOM 0 HA2 GLY A 146 1.336 -6.665 15.001 1.00 0.00 H new ATOM 0 HA3 GLY A 146 0.212 -6.501 16.336 1.00 0.00 H new ATOM 896 N ARG A 147 -0.083 -4.085 14.224 1.00 0.00 N ATOM 897 CA ARG A 147 -1.001 -3.397 13.324 1.00 0.00 C ATOM 898 C ARG A 147 -0.288 -2.281 12.566 1.00 0.00 C ATOM 899 O ARG A 147 0.673 -1.694 13.063 1.00 0.00 O ATOM 900 CB ARG A 147 -2.183 -2.824 14.110 1.00 0.00 C ATOM 901 CG ARG A 147 -3.422 -3.703 14.073 1.00 0.00 C ATOM 902 CD ARG A 147 -4.681 -2.901 14.363 1.00 0.00 C ATOM 903 NE ARG A 147 -5.887 -3.593 13.914 1.00 0.00 N ATOM 904 CZ ARG A 147 -6.471 -4.580 14.589 1.00 0.00 C ATOM 905 NH1 ARG A 147 -5.963 -4.997 15.742 1.00 0.00 N ATOM 906 NH2 ARG A 147 -7.567 -5.152 14.110 1.00 0.00 N ATOM 0 H ARG A 147 0.718 -3.526 14.519 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.372 -4.122 12.599 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -1.882 -2.678 15.147 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -2.433 -1.841 13.709 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -3.507 -4.174 13.094 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -3.323 -4.505 14.805 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -4.750 -2.710 15.434 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -4.615 -1.931 13.870 1.00 0.00 H new ATOM 0 HE ARG A 147 -6.306 -3.302 13.031 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -5.120 -4.560 16.116 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -6.415 -5.754 16.255 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -7.962 -4.835 13.225 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -8.015 -5.909 14.627 1.00 0.00 H new ATOM 920 N ILE A 148 -0.769 -1.991 11.360 1.00 0.00 N ATOM 921 CA ILE A 148 -0.182 -0.944 10.533 1.00 0.00 C ATOM 922 C ILE A 148 -1.182 0.185 10.308 1.00 0.00 C ATOM 923 O ILE A 148 -2.326 -0.058 9.931 1.00 0.00 O ATOM 924 CB ILE A 148 0.297 -1.511 9.180 1.00 0.00 C ATOM 925 CG1 ILE A 148 1.243 -0.531 8.489 1.00 0.00 C ATOM 926 CG2 ILE A 148 -0.872 -1.853 8.276 1.00 0.00 C ATOM 927 CD1 ILE A 148 0.556 0.702 7.952 1.00 0.00 C ATOM 0 H ILE A 148 -1.564 -2.467 10.935 1.00 0.00 H new ATOM 0 HA ILE A 148 0.683 -0.545 11.062 1.00 0.00 H new ATOM 0 HB ILE A 148 0.841 -2.434 9.382 1.00 0.00 H new ATOM 0 HG12 ILE A 148 2.016 -0.227 9.195 1.00 0.00 H new ATOM 0 HG13 ILE A 148 1.745 -1.043 7.668 1.00 0.00 H new ATOM 0 HG21 ILE A 148 -0.498 -2.250 7.332 1.00 0.00 H new ATOM 0 HG22 ILE A 148 -1.500 -2.601 8.760 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -1.459 -0.955 8.085 1.00 0.00 H new ATOM 0 HD11 ILE A 148 1.292 1.350 7.476 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -0.197 0.409 7.221 1.00 0.00 H new ATOM 0 HD13 ILE A 148 0.077 1.238 8.772 1.00 0.00 H new ATOM 939 N ASP A 149 -0.750 1.419 10.560 1.00 0.00 N ATOM 940 CA ASP A 149 -1.622 2.578 10.402 1.00 0.00 C ATOM 941 C ASP A 149 -1.129 3.518 9.304 1.00 0.00 C ATOM 942 O ASP A 149 0.003 3.411 8.837 1.00 0.00 O ATOM 943 CB ASP A 149 -1.725 3.340 11.725 1.00 0.00 C ATOM 944 CG ASP A 149 -0.392 3.911 12.169 1.00 0.00 C ATOM 945 OD1 ASP A 149 0.185 4.725 11.418 1.00 0.00 O ATOM 946 OD2 ASP A 149 0.073 3.545 13.269 1.00 0.00 O ATOM 0 H ASP A 149 0.195 1.640 10.873 1.00 0.00 H new ATOM 0 HA ASP A 149 -2.605 2.210 10.109 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -2.447 4.150 11.619 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -2.106 2.672 12.497 1.00 0.00 H new ATOM 951 N TYR A 150 -2.007 4.439 8.906 1.00 0.00 N ATOM 952 CA TYR A 150 -1.716 5.428 7.862 1.00 0.00 C ATOM 953 C TYR A 150 -0.224 5.755 7.759 1.00 0.00 C ATOM 954 O TYR A 150 0.371 5.650 6.688 1.00 0.00 O ATOM 955 CB TYR A 150 -2.503 6.711 8.139 1.00 0.00 C ATOM 956 CG TYR A 150 -3.346 7.177 6.974 1.00 0.00 C ATOM 957 CD1 TYR A 150 -2.769 7.468 5.745 1.00 0.00 C ATOM 958 CD2 TYR A 150 -4.720 7.333 7.108 1.00 0.00 C ATOM 959 CE1 TYR A 150 -3.536 7.901 4.682 1.00 0.00 C ATOM 960 CE2 TYR A 150 -5.495 7.763 6.049 1.00 0.00 C ATOM 961 CZ TYR A 150 -4.900 8.046 4.839 1.00 0.00 C ATOM 962 OH TYR A 150 -5.670 8.477 3.784 1.00 0.00 O ATOM 0 H TYR A 150 -2.945 4.522 9.299 1.00 0.00 H new ATOM 0 HA TYR A 150 -2.018 4.992 6.910 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -3.150 6.549 9.001 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -1.804 7.503 8.409 1.00 0.00 H new ATOM 0 HD1 TYR A 150 -1.703 7.354 5.619 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -5.190 7.114 8.056 1.00 0.00 H new ATOM 0 HE1 TYR A 150 -3.072 8.125 3.733 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -6.562 7.877 6.169 1.00 0.00 H new ATOM 0 HH TYR A 150 -5.801 7.740 3.152 1.00 0.00 H new ATOM 972 N ASP A 151 0.370 6.162 8.875 1.00 0.00 N ATOM 973 CA ASP A 151 1.788 6.515 8.906 1.00 0.00 C ATOM 974 C ASP A 151 2.648 5.452 8.224 1.00 0.00 C ATOM 975 O ASP A 151 3.352 5.739 7.255 1.00 0.00 O ATOM 976 CB ASP A 151 2.253 6.713 10.350 1.00 0.00 C ATOM 977 CG ASP A 151 3.161 7.918 10.505 1.00 0.00 C ATOM 978 OD1 ASP A 151 3.733 8.366 9.489 1.00 0.00 O ATOM 979 OD2 ASP A 151 3.300 8.413 11.644 1.00 0.00 O ATOM 0 H ASP A 151 -0.107 6.256 9.772 1.00 0.00 H new ATOM 0 HA ASP A 151 1.907 7.448 8.356 1.00 0.00 H new ATOM 0 HB2 ASP A 151 1.383 6.832 10.996 1.00 0.00 H new ATOM 0 HB3 ASP A 151 2.779 5.819 10.685 1.00 0.00 H new ATOM 984 N GLU A 152 2.592 4.229 8.738 1.00 0.00 N ATOM 985 CA GLU A 152 3.373 3.131 8.179 1.00 0.00 C ATOM 986 C GLU A 152 2.861 2.732 6.796 1.00 0.00 C ATOM 987 O GLU A 152 3.612 2.200 5.978 1.00 0.00 O ATOM 988 CB GLU A 152 3.340 1.923 9.117 1.00 0.00 C ATOM 989 CG GLU A 152 4.477 1.906 10.126 1.00 0.00 C ATOM 990 CD GLU A 152 4.110 1.179 11.404 1.00 0.00 C ATOM 991 OE1 GLU A 152 2.995 1.406 11.918 1.00 0.00 O ATOM 992 OE2 GLU A 152 4.938 0.381 11.891 1.00 0.00 O ATOM 0 H GLU A 152 2.015 3.972 9.539 1.00 0.00 H new ATOM 0 HA GLU A 152 4.402 3.475 8.074 1.00 0.00 H new ATOM 0 HB2 GLU A 152 2.390 1.914 9.652 1.00 0.00 H new ATOM 0 HB3 GLU A 152 3.379 1.010 8.522 1.00 0.00 H new ATOM 0 HG2 GLU A 152 5.348 1.429 9.678 1.00 0.00 H new ATOM 0 HG3 GLU A 152 4.762 2.931 10.364 1.00 0.00 H new ATOM 999 N PHE A 153 1.582 2.990 6.538 1.00 0.00 N ATOM 1000 CA PHE A 153 0.980 2.653 5.251 1.00 0.00 C ATOM 1001 C PHE A 153 1.711 3.353 4.111 1.00 0.00 C ATOM 1002 O PHE A 153 2.135 2.717 3.146 1.00 0.00 O ATOM 1003 CB PHE A 153 -0.503 3.036 5.240 1.00 0.00 C ATOM 1004 CG PHE A 153 -1.143 2.953 3.881 1.00 0.00 C ATOM 1005 CD1 PHE A 153 -0.824 1.922 3.012 1.00 0.00 C ATOM 1006 CD2 PHE A 153 -2.063 3.904 3.475 1.00 0.00 C ATOM 1007 CE1 PHE A 153 -1.412 1.840 1.766 1.00 0.00 C ATOM 1008 CE2 PHE A 153 -2.653 3.828 2.228 1.00 0.00 C ATOM 1009 CZ PHE A 153 -2.328 2.794 1.374 1.00 0.00 C ATOM 0 H PHE A 153 0.944 3.430 7.201 1.00 0.00 H new ATOM 0 HA PHE A 153 1.068 1.576 5.106 1.00 0.00 H new ATOM 0 HB2 PHE A 153 -1.042 2.382 5.925 1.00 0.00 H new ATOM 0 HB3 PHE A 153 -0.609 4.052 5.619 1.00 0.00 H new ATOM 0 HD1 PHE A 153 -0.106 1.173 3.313 1.00 0.00 H new ATOM 0 HD2 PHE A 153 -2.323 4.714 4.140 1.00 0.00 H new ATOM 0 HE1 PHE A 153 -1.155 1.030 1.099 1.00 0.00 H new ATOM 0 HE2 PHE A 153 -3.368 4.577 1.922 1.00 0.00 H new ATOM 0 HZ PHE A 153 -2.790 2.732 0.400 1.00 0.00 H new ATOM 1019 N LEU A 154 1.852 4.667 4.231 1.00 0.00 N ATOM 1020 CA LEU A 154 2.529 5.460 3.214 1.00 0.00 C ATOM 1021 C LEU A 154 3.963 4.975 3.000 1.00 0.00 C ATOM 1022 O LEU A 154 4.572 5.254 1.969 1.00 0.00 O ATOM 1023 CB LEU A 154 2.512 6.939 3.612 1.00 0.00 C ATOM 1024 CG LEU A 154 1.170 7.448 4.157 1.00 0.00 C ATOM 1025 CD1 LEU A 154 1.143 8.967 4.186 1.00 0.00 C ATOM 1026 CD2 LEU A 154 0.010 6.918 3.325 1.00 0.00 C ATOM 0 H LEU A 154 1.506 5.207 5.024 1.00 0.00 H new ATOM 0 HA LEU A 154 1.996 5.340 2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 154 3.280 7.106 4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 154 2.784 7.537 2.742 1.00 0.00 H new ATOM 0 HG LEU A 154 1.061 7.078 5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 154 0.183 9.306 4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 154 1.945 9.333 4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 154 1.282 9.353 3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -0.930 7.292 3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 154 0.119 7.253 2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 154 0.009 5.828 3.354 1.00 0.00 H new ATOM 1038 N GLU A 155 4.492 4.238 3.976 1.00 0.00 N ATOM 1039 CA GLU A 155 5.848 3.707 3.885 1.00 0.00 C ATOM 1040 C GLU A 155 5.928 2.591 2.843 1.00 0.00 C ATOM 1041 O GLU A 155 6.980 2.357 2.248 1.00 0.00 O ATOM 1042 CB GLU A 155 6.301 3.180 5.248 1.00 0.00 C ATOM 1043 CG GLU A 155 7.812 3.084 5.391 1.00 0.00 C ATOM 1044 CD GLU A 155 8.400 1.930 4.604 1.00 0.00 C ATOM 1045 OE1 GLU A 155 7.726 0.884 4.491 1.00 0.00 O ATOM 1046 OE2 GLU A 155 9.534 2.071 4.101 1.00 0.00 O ATOM 0 H GLU A 155 4.002 3.996 4.837 1.00 0.00 H new ATOM 0 HA GLU A 155 6.510 4.516 3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 155 5.911 3.833 6.029 1.00 0.00 H new ATOM 0 HB3 GLU A 155 5.866 2.194 5.410 1.00 0.00 H new ATOM 0 HG2 GLU A 155 8.265 4.017 5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 155 8.067 2.968 6.444 1.00 0.00 H new ATOM 1053 N PHE A 156 4.807 1.904 2.633 1.00 0.00 N ATOM 1054 CA PHE A 156 4.739 0.808 1.669 1.00 0.00 C ATOM 1055 C PHE A 156 5.156 1.270 0.274 1.00 0.00 C ATOM 1056 O PHE A 156 6.099 0.737 -0.311 1.00 0.00 O ATOM 1057 CB PHE A 156 3.315 0.241 1.625 1.00 0.00 C ATOM 1058 CG PHE A 156 3.244 -1.252 1.791 1.00 0.00 C ATOM 1059 CD1 PHE A 156 3.347 -1.830 3.047 1.00 0.00 C ATOM 1060 CD2 PHE A 156 3.063 -2.076 0.692 1.00 0.00 C ATOM 1061 CE1 PHE A 156 3.273 -3.201 3.202 1.00 0.00 C ATOM 1062 CE2 PHE A 156 2.989 -3.448 0.841 1.00 0.00 C ATOM 1063 CZ PHE A 156 3.094 -4.011 2.098 1.00 0.00 C ATOM 0 H PHE A 156 3.930 2.088 3.120 1.00 0.00 H new ATOM 0 HA PHE A 156 5.432 0.031 1.990 1.00 0.00 H new ATOM 0 HB2 PHE A 156 2.723 0.712 2.410 1.00 0.00 H new ATOM 0 HB3 PHE A 156 2.856 0.512 0.674 1.00 0.00 H new ATOM 0 HD1 PHE A 156 3.487 -1.201 3.914 1.00 0.00 H new ATOM 0 HD2 PHE A 156 2.979 -1.641 -0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 156 3.355 -3.639 4.186 1.00 0.00 H new ATOM 0 HE2 PHE A 156 2.849 -4.079 -0.024 1.00 0.00 H new ATOM 0 HZ PHE A 156 3.036 -5.083 2.217 1.00 0.00 H new ATOM 1073 N MET A 157 4.442 2.258 -0.253 1.00 0.00 N ATOM 1074 CA MET A 157 4.729 2.790 -1.583 1.00 0.00 C ATOM 1075 C MET A 157 5.917 3.737 -1.547 1.00 0.00 C ATOM 1076 O MET A 157 6.654 3.862 -2.523 1.00 0.00 O ATOM 1077 CB MET A 157 3.511 3.523 -2.139 1.00 0.00 C ATOM 1078 CG MET A 157 2.197 2.849 -1.805 1.00 0.00 C ATOM 1079 SD MET A 157 2.021 1.236 -2.591 1.00 0.00 S ATOM 1080 CE MET A 157 0.738 0.503 -1.579 1.00 0.00 C ATOM 0 H MET A 157 3.659 2.708 0.220 1.00 0.00 H new ATOM 0 HA MET A 157 4.971 1.948 -2.232 1.00 0.00 H new ATOM 0 HB2 MET A 157 3.499 4.540 -1.747 1.00 0.00 H new ATOM 0 HB3 MET A 157 3.606 3.600 -3.222 1.00 0.00 H new ATOM 0 HG2 MET A 157 2.118 2.732 -0.724 1.00 0.00 H new ATOM 0 HG3 MET A 157 1.374 3.492 -2.117 1.00 0.00 H new ATOM 0 HE1 MET A 157 1.143 -0.356 -1.044 1.00 0.00 H new ATOM 0 HE2 MET A 157 0.375 1.239 -0.862 1.00 0.00 H new ATOM 0 HE3 MET A 157 -0.086 0.179 -2.215 1.00 0.00 H new ATOM 1090 N LYS A 158 6.093 4.407 -0.415 1.00 0.00 N ATOM 1091 CA LYS A 158 7.197 5.352 -0.247 1.00 0.00 C ATOM 1092 C LYS A 158 8.508 4.762 -0.769 1.00 0.00 C ATOM 1093 O LYS A 158 9.386 5.490 -1.233 1.00 0.00 O ATOM 1094 CB LYS A 158 7.347 5.738 1.225 1.00 0.00 C ATOM 1095 CG LYS A 158 6.860 7.144 1.537 1.00 0.00 C ATOM 1096 CD LYS A 158 7.741 7.822 2.574 1.00 0.00 C ATOM 1097 CE LYS A 158 8.744 8.763 1.925 1.00 0.00 C ATOM 1098 NZ LYS A 158 8.829 10.064 2.643 1.00 0.00 N ATOM 0 H LYS A 158 5.488 4.316 0.401 1.00 0.00 H new ATOM 0 HA LYS A 158 6.967 6.245 -0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 158 6.793 5.026 1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 158 8.396 5.654 1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 158 6.850 7.738 0.623 1.00 0.00 H new ATOM 0 HG3 LYS A 158 5.834 7.102 1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 158 7.118 8.379 3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 158 8.272 7.066 3.152 1.00 0.00 H new ATOM 0 HE2 LYS A 158 9.727 8.292 1.910 1.00 0.00 H new ATOM 0 HE3 LYS A 158 8.459 8.939 0.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 9.523 10.677 2.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 7.897 10.526 2.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 9.126 9.899 3.626 1.00 0.00 H new ATOM 1112 N GLY A 159 8.628 3.439 -0.695 1.00 0.00 N ATOM 1113 CA GLY A 159 9.828 2.774 -1.168 1.00 0.00 C ATOM 1114 C GLY A 159 9.889 2.707 -2.682 1.00 0.00 C ATOM 1115 O GLY A 159 10.973 2.678 -3.266 1.00 0.00 O ATOM 0 H GLY A 159 7.915 2.816 -0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 159 10.705 3.302 -0.794 1.00 0.00 H new ATOM 0 HA3 GLY A 159 9.866 1.764 -0.760 1.00 0.00 H new ATOM 1119 N VAL A 160 8.719 2.684 -3.319 1.00 0.00 N ATOM 1120 CA VAL A 160 8.630 2.625 -4.774 1.00 0.00 C ATOM 1121 C VAL A 160 9.594 3.611 -5.432 1.00 0.00 C ATOM 1122 O VAL A 160 10.126 3.349 -6.511 1.00 0.00 O ATOM 1123 CB VAL A 160 7.197 2.930 -5.255 1.00 0.00 C ATOM 1124 CG1 VAL A 160 7.086 2.746 -6.759 1.00 0.00 C ATOM 1125 CG2 VAL A 160 6.184 2.055 -4.531 1.00 0.00 C ATOM 0 H VAL A 160 7.816 2.706 -2.845 1.00 0.00 H new ATOM 0 HA VAL A 160 8.902 1.611 -5.066 1.00 0.00 H new ATOM 0 HB VAL A 160 6.975 3.971 -5.019 1.00 0.00 H new ATOM 0 HG11 VAL A 160 6.067 2.966 -7.078 1.00 0.00 H new ATOM 0 HG12 VAL A 160 7.778 3.423 -7.260 1.00 0.00 H new ATOM 0 HG13 VAL A 160 7.333 1.717 -7.019 1.00 0.00 H new ATOM 0 HG21 VAL A 160 5.181 2.289 -4.887 1.00 0.00 H new ATOM 0 HG22 VAL A 160 6.404 1.006 -4.727 1.00 0.00 H new ATOM 0 HG23 VAL A 160 6.241 2.243 -3.459 1.00 0.00 H new ATOM 1135 N GLU A 161 9.812 4.744 -4.773 1.00 0.00 N ATOM 1136 CA GLU A 161 10.711 5.769 -5.292 1.00 0.00 C ATOM 1137 C GLU A 161 12.030 5.774 -4.526 1.00 0.00 C ATOM 1138 O GLU A 161 11.991 5.879 -3.282 1.00 0.00 O ATOM 1139 CB GLU A 161 10.051 7.147 -5.204 1.00 0.00 C ATOM 1140 CG GLU A 161 8.858 7.310 -6.131 1.00 0.00 C ATOM 1141 CD GLU A 161 8.055 8.561 -5.834 1.00 0.00 C ATOM 1142 OE1 GLU A 161 7.831 8.854 -4.640 1.00 0.00 O ATOM 1143 OE2 GLU A 161 7.651 9.250 -6.794 1.00 0.00 O ATOM 1144 OXT GLU A 161 13.091 5.673 -5.177 1.00 0.00 O ATOM 0 H GLU A 161 9.379 4.976 -3.879 1.00 0.00 H new ATOM 0 HA GLU A 161 10.920 5.540 -6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 161 9.729 7.322 -4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 161 10.791 7.911 -5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 161 9.207 7.343 -7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 161 8.211 6.438 -6.041 1.00 0.00 H new ATOM 1226 N PHE B 132 6.084 -6.672 -6.033 1.00 0.00 N ATOM 1227 CA PHE B 132 5.506 -6.935 -7.343 1.00 0.00 C ATOM 1228 C PHE B 132 4.539 -5.812 -7.744 1.00 0.00 C ATOM 1229 O PHE B 132 4.969 -4.685 -7.986 1.00 0.00 O ATOM 1230 CB PHE B 132 4.821 -8.312 -7.366 1.00 0.00 C ATOM 1231 CG PHE B 132 4.119 -8.684 -6.084 1.00 0.00 C ATOM 1232 CD1 PHE B 132 4.838 -8.899 -4.919 1.00 0.00 C ATOM 1233 CD2 PHE B 132 2.740 -8.826 -6.048 1.00 0.00 C ATOM 1234 CE1 PHE B 132 4.198 -9.246 -3.745 1.00 0.00 C ATOM 1235 CE2 PHE B 132 2.094 -9.173 -4.877 1.00 0.00 C ATOM 1236 CZ PHE B 132 2.824 -9.383 -3.724 1.00 0.00 C ATOM 0 HA PHE B 132 6.308 -6.955 -8.081 1.00 0.00 H new ATOM 0 HB2 PHE B 132 4.096 -8.330 -8.180 1.00 0.00 H new ATOM 0 HB3 PHE B 132 5.570 -9.072 -7.589 1.00 0.00 H new ATOM 0 HD1 PHE B 132 5.913 -8.794 -4.929 1.00 0.00 H new ATOM 0 HD2 PHE B 132 2.164 -8.663 -6.947 1.00 0.00 H new ATOM 0 HE1 PHE B 132 4.771 -9.410 -2.845 1.00 0.00 H new ATOM 0 HE2 PHE B 132 1.019 -9.280 -4.864 1.00 0.00 H new ATOM 0 HZ PHE B 132 2.321 -9.654 -2.807 1.00 0.00 H new ATOM 1246 N ASP B 133 3.240 -6.107 -7.808 1.00 0.00 N ATOM 1247 CA ASP B 133 2.251 -5.100 -8.173 1.00 0.00 C ATOM 1248 C ASP B 133 2.075 -4.078 -7.050 1.00 0.00 C ATOM 1249 O ASP B 133 1.445 -3.038 -7.239 1.00 0.00 O ATOM 1250 CB ASP B 133 0.910 -5.765 -8.492 1.00 0.00 C ATOM 1251 CG ASP B 133 0.325 -5.287 -9.806 1.00 0.00 C ATOM 1252 OD1 ASP B 133 -0.333 -4.225 -9.812 1.00 0.00 O ATOM 1253 OD2 ASP B 133 0.527 -5.973 -10.830 1.00 0.00 O ATOM 0 H ASP B 133 2.853 -7.030 -7.613 1.00 0.00 H new ATOM 0 HA ASP B 133 2.609 -4.578 -9.061 1.00 0.00 H new ATOM 0 HB2 ASP B 133 1.044 -6.846 -8.529 1.00 0.00 H new ATOM 0 HB3 ASP B 133 0.205 -5.558 -7.687 1.00 0.00 H new ATOM 1258 N LEU B 134 2.638 -4.381 -5.883 1.00 0.00 N ATOM 1259 CA LEU B 134 2.547 -3.492 -4.733 1.00 0.00 C ATOM 1260 C LEU B 134 3.280 -2.184 -5.003 1.00 0.00 C ATOM 1261 O LEU B 134 2.798 -1.106 -4.657 1.00 0.00 O ATOM 1262 CB LEU B 134 3.136 -4.170 -3.494 1.00 0.00 C ATOM 1263 CG LEU B 134 2.287 -5.297 -2.902 1.00 0.00 C ATOM 1264 CD1 LEU B 134 1.975 -6.346 -3.958 1.00 0.00 C ATOM 1265 CD2 LEU B 134 2.998 -5.930 -1.716 1.00 0.00 C ATOM 0 H LEU B 134 3.163 -5.238 -5.711 1.00 0.00 H new ATOM 0 HA LEU B 134 1.495 -3.271 -4.555 1.00 0.00 H new ATOM 0 HB2 LEU B 134 4.116 -4.572 -3.751 1.00 0.00 H new ATOM 0 HB3 LEU B 134 3.293 -3.413 -2.726 1.00 0.00 H new ATOM 0 HG LEU B 134 1.346 -4.871 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU B 134 1.371 -7.138 -3.516 1.00 0.00 H new ATOM 0 HD12 LEU B 134 1.425 -5.884 -4.778 1.00 0.00 H new ATOM 0 HD13 LEU B 134 2.905 -6.768 -4.337 1.00 0.00 H new ATOM 0 HD21 LEU B 134 2.381 -6.730 -1.306 1.00 0.00 H new ATOM 0 HD22 LEU B 134 3.954 -6.340 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU B 134 3.169 -5.175 -0.949 1.00 0.00 H new ATOM 1277 N ARG B 135 4.450 -2.291 -5.621 1.00 0.00 N ATOM 1278 CA ARG B 135 5.257 -1.122 -5.940 1.00 0.00 C ATOM 1279 C ARG B 135 4.765 -0.454 -7.220 1.00 0.00 C ATOM 1280 O ARG B 135 4.603 0.765 -7.273 1.00 0.00 O ATOM 1281 CB ARG B 135 6.726 -1.526 -6.088 1.00 0.00 C ATOM 1282 CG ARG B 135 7.634 -0.389 -6.523 1.00 0.00 C ATOM 1283 CD ARG B 135 9.098 -0.797 -6.483 1.00 0.00 C ATOM 1284 NE ARG B 135 9.894 -0.075 -7.473 1.00 0.00 N ATOM 1285 CZ ARG B 135 11.092 -0.473 -7.895 1.00 0.00 C ATOM 1286 NH1 ARG B 135 11.636 -1.585 -7.416 1.00 0.00 N ATOM 1287 NH2 ARG B 135 11.748 0.242 -8.798 1.00 0.00 N ATOM 0 H ARG B 135 4.861 -3.178 -5.911 1.00 0.00 H new ATOM 0 HA ARG B 135 5.163 -0.406 -5.124 1.00 0.00 H new ATOM 0 HB2 ARG B 135 7.083 -1.919 -5.136 1.00 0.00 H new ATOM 0 HB3 ARG B 135 6.799 -2.335 -6.815 1.00 0.00 H new ATOM 0 HG2 ARG B 135 7.370 -0.078 -7.534 1.00 0.00 H new ATOM 0 HG3 ARG B 135 7.477 0.472 -5.873 1.00 0.00 H new ATOM 0 HD2 ARG B 135 9.500 -0.609 -5.487 1.00 0.00 H new ATOM 0 HD3 ARG B 135 9.181 -1.869 -6.663 1.00 0.00 H new ATOM 0 HE ARG B 135 9.509 0.785 -7.864 1.00 0.00 H new ATOM 0 HH11 ARG B 135 11.136 -2.139 -6.721 1.00 0.00 H new ATOM 0 HH12 ARG B 135 12.554 -1.885 -7.743 1.00 0.00 H new ATOM 0 HH21 ARG B 135 11.335 1.097 -9.170 1.00 0.00 H new ATOM 0 HH22 ARG B 135 12.666 -0.063 -9.121 1.00 0.00 H new ATOM 1301 N GLY B 136 4.529 -1.259 -8.250 1.00 0.00 N ATOM 1302 CA GLY B 136 4.058 -0.724 -9.513 1.00 0.00 C ATOM 1303 C GLY B 136 2.751 0.031 -9.371 1.00 0.00 C ATOM 1304 O GLY B 136 1.905 -0.329 -8.553 1.00 0.00 O ATOM 0 H GLY B 136 4.655 -2.271 -8.233 1.00 0.00 H new ATOM 0 HA2 GLY B 136 4.815 -0.059 -9.927 1.00 0.00 H new ATOM 0 HA3 GLY B 136 3.927 -1.540 -10.224 1.00 0.00 H new ATOM 1308 N LYS B 137 2.587 1.084 -10.166 1.00 0.00 N ATOM 1309 CA LYS B 137 1.376 1.896 -10.120 1.00 0.00 C ATOM 1310 C LYS B 137 1.260 2.619 -8.781 1.00 0.00 C ATOM 1311 O LYS B 137 0.159 2.918 -8.319 1.00 0.00 O ATOM 1312 CB LYS B 137 0.137 1.026 -10.353 1.00 0.00 C ATOM 1313 CG LYS B 137 0.220 0.172 -11.609 1.00 0.00 C ATOM 1314 CD LYS B 137 -0.796 0.611 -12.652 1.00 0.00 C ATOM 1315 CE LYS B 137 -2.068 -0.217 -12.574 1.00 0.00 C ATOM 1316 NZ LYS B 137 -1.969 -1.465 -13.381 1.00 0.00 N ATOM 0 H LYS B 137 3.277 1.395 -10.850 1.00 0.00 H new ATOM 0 HA LYS B 137 1.439 2.641 -10.914 1.00 0.00 H new ATOM 0 HB2 LYS B 137 -0.007 0.376 -9.490 1.00 0.00 H new ATOM 0 HB3 LYS B 137 -0.741 1.669 -10.418 1.00 0.00 H new ATOM 0 HG2 LYS B 137 1.224 0.237 -12.028 1.00 0.00 H new ATOM 0 HG3 LYS B 137 0.049 -0.873 -11.351 1.00 0.00 H new ATOM 0 HD2 LYS B 137 -1.037 1.664 -12.506 1.00 0.00 H new ATOM 0 HD3 LYS B 137 -0.361 0.518 -13.647 1.00 0.00 H new ATOM 0 HE2 LYS B 137 -2.272 -0.472 -11.534 1.00 0.00 H new ATOM 0 HE3 LYS B 137 -2.910 0.378 -12.927 1.00 0.00 H new ATOM 0 HZ1 LYS B 137 -2.857 -2.001 -13.301 1.00 0.00 H new ATOM 0 HZ2 LYS B 137 -1.800 -1.221 -14.378 1.00 0.00 H new ATOM 0 HZ3 LYS B 137 -1.181 -2.045 -13.028 1.00 0.00 H new ATOM 1330 N PHE B 138 2.405 2.896 -8.164 1.00 0.00 N ATOM 1331 CA PHE B 138 2.436 3.584 -6.879 1.00 0.00 C ATOM 1332 C PHE B 138 3.664 4.482 -6.774 1.00 0.00 C ATOM 1333 O PHE B 138 4.195 4.701 -5.685 1.00 0.00 O ATOM 1334 CB PHE B 138 2.432 2.568 -5.734 1.00 0.00 C ATOM 1335 CG PHE B 138 1.130 1.839 -5.586 1.00 0.00 C ATOM 1336 CD1 PHE B 138 0.019 2.482 -5.068 1.00 0.00 C ATOM 1337 CD2 PHE B 138 1.018 0.512 -5.965 1.00 0.00 C ATOM 1338 CE1 PHE B 138 -1.182 1.814 -4.929 1.00 0.00 C ATOM 1339 CE2 PHE B 138 -0.180 -0.162 -5.828 1.00 0.00 C ATOM 1340 CZ PHE B 138 -1.282 0.490 -5.309 1.00 0.00 C ATOM 0 H PHE B 138 3.324 2.654 -8.534 1.00 0.00 H new ATOM 0 HA PHE B 138 1.545 4.207 -6.805 1.00 0.00 H new ATOM 0 HB2 PHE B 138 3.229 1.843 -5.900 1.00 0.00 H new ATOM 0 HB3 PHE B 138 2.659 3.083 -4.801 1.00 0.00 H new ATOM 0 HD1 PHE B 138 0.092 3.517 -4.769 1.00 0.00 H new ATOM 0 HD2 PHE B 138 1.876 -0.002 -6.372 1.00 0.00 H new ATOM 0 HE1 PHE B 138 -2.042 2.326 -4.524 1.00 0.00 H new ATOM 0 HE2 PHE B 138 -0.255 -1.197 -6.126 1.00 0.00 H new ATOM 0 HZ PHE B 138 -2.220 -0.035 -5.201 1.00 0.00 H new