USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 467 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 135 HIS : no HD1:sc= 0.18 K(o=0.13,f=-3.5!) USER MOD Set 1.2: A 157 GLN : amide:sc= -0.0476 X(o=0.13,f=0.24) USER MOD Set 2.1: A 139 SER OG : rot -170:sc= 1.73 USER MOD Set 2.2: A 142 SER OG : rot 120:sc= -1.24! USER MOD Set 2.3: A 151 THR OG1 : rot 127:sc= -0.22 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 130:sc= -1.28 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.737 F(o=-1.6!,f=-0.74) USER MOD Single : A 110 LYS NZ :NH3+ -167:sc= -0.0325 (180deg=-0.214) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 146 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 SER OG : rot 171:sc= -0.746 USER MOD Single : A 153 LYS NZ :NH3+ -121:sc= 0.872 (180deg=-3.29!) USER MOD Single : A 155 HIS : no HD1:sc= -0.626 X(o=-0.63,f=-0.56) USER MOD Single : A 159 ASN : amide:sc= -0.693 K(o=-0.69,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 97 16.895 -0.831 -6.781 1.00 0.00 N ATOM 80 CA ARG A 97 15.619 -0.258 -7.195 1.00 0.00 C ATOM 81 C ARG A 97 14.933 0.426 -6.018 1.00 0.00 C ATOM 82 O ARG A 97 14.915 -0.106 -4.908 1.00 0.00 O ATOM 83 CB ARG A 97 14.703 -1.344 -7.763 1.00 0.00 C ATOM 84 CG ARG A 97 15.284 -2.071 -8.964 1.00 0.00 C ATOM 85 CD ARG A 97 14.323 -3.124 -9.491 1.00 0.00 C ATOM 86 NE ARG A 97 14.869 -3.850 -10.636 1.00 0.00 N ATOM 87 CZ ARG A 97 15.163 -3.280 -11.802 1.00 0.00 C ATOM 88 NH1 ARG A 97 14.962 -1.982 -11.983 1.00 0.00 N ATOM 89 NH2 ARG A 97 15.659 -4.013 -12.790 1.00 0.00 N ATOM 0 HA ARG A 97 15.816 0.482 -7.970 1.00 0.00 H new ATOM 0 HB2 ARG A 97 14.488 -2.071 -6.980 1.00 0.00 H new ATOM 0 HB3 ARG A 97 13.753 -0.892 -8.048 1.00 0.00 H new ATOM 0 HG2 ARG A 97 15.508 -1.353 -9.753 1.00 0.00 H new ATOM 0 HG3 ARG A 97 16.226 -2.543 -8.685 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.089 -3.830 -8.694 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.387 -2.646 -9.779 1.00 0.00 H new ATOM 0 HE ARG A 97 15.034 -4.851 -10.536 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.580 -1.415 -11.226 1.00 0.00 H new ATOM 0 HH12 ARG A 97 15.189 -1.551 -12.879 1.00 0.00 H new ATOM 0 HH21 ARG A 97 15.815 -5.012 -12.655 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.885 -3.578 -13.684 1.00 0.00 H new ATOM 103 N ILE A 98 14.374 1.605 -6.261 1.00 0.00 N ATOM 104 CA ILE A 98 13.691 2.351 -5.216 1.00 0.00 C ATOM 105 C ILE A 98 12.292 1.797 -4.958 1.00 0.00 C ATOM 106 O ILE A 98 11.351 2.553 -4.714 1.00 0.00 O ATOM 107 CB ILE A 98 13.593 3.850 -5.560 1.00 0.00 C ATOM 108 CG1 ILE A 98 12.929 4.041 -6.927 1.00 0.00 C ATOM 109 CG2 ILE A 98 14.976 4.488 -5.536 1.00 0.00 C ATOM 110 CD1 ILE A 98 12.719 5.492 -7.304 1.00 0.00 C ATOM 0 H ILE A 98 14.381 2.063 -7.172 1.00 0.00 H new ATOM 0 HA ILE A 98 14.288 2.238 -4.311 1.00 0.00 H new ATOM 0 HB ILE A 98 12.975 4.343 -4.809 1.00 0.00 H new ATOM 0 HG12 ILE A 98 13.543 3.562 -7.689 1.00 0.00 H new ATOM 0 HG13 ILE A 98 11.965 3.532 -6.927 1.00 0.00 H new ATOM 0 HG21 ILE A 98 14.893 5.547 -5.781 1.00 0.00 H new ATOM 0 HG22 ILE A 98 15.410 4.378 -4.542 1.00 0.00 H new ATOM 0 HG23 ILE A 98 15.616 3.996 -6.268 1.00 0.00 H new ATOM 0 HD11 ILE A 98 12.245 5.548 -8.284 1.00 0.00 H new ATOM 0 HD12 ILE A 98 12.079 5.972 -6.563 1.00 0.00 H new ATOM 0 HD13 ILE A 98 13.682 6.002 -7.337 1.00 0.00 H new ATOM 122 N CYS A 99 12.171 0.471 -5.001 1.00 0.00 N ATOM 123 CA CYS A 99 10.898 -0.206 -4.767 1.00 0.00 C ATOM 124 C CYS A 99 9.824 0.232 -5.764 1.00 0.00 C ATOM 125 O CYS A 99 9.735 1.403 -6.130 1.00 0.00 O ATOM 126 CB CYS A 99 10.425 0.040 -3.336 1.00 0.00 C ATOM 127 SG CYS A 99 11.391 -0.854 -2.074 1.00 0.00 S ATOM 0 H CYS A 99 12.948 -0.160 -5.198 1.00 0.00 H new ATOM 0 HA CYS A 99 11.063 -1.273 -4.914 1.00 0.00 H new ATOM 0 HB2 CYS A 99 10.473 1.109 -3.127 1.00 0.00 H new ATOM 0 HB3 CYS A 99 9.379 -0.254 -3.254 1.00 0.00 H new ATOM 132 N SER A 100 9.014 -0.729 -6.202 1.00 0.00 N ATOM 133 CA SER A 100 7.945 -0.462 -7.160 1.00 0.00 C ATOM 134 C SER A 100 7.121 0.755 -6.747 1.00 0.00 C ATOM 135 O SER A 100 6.611 0.824 -5.629 1.00 0.00 O ATOM 136 CB SER A 100 7.034 -1.685 -7.285 1.00 0.00 C ATOM 137 OG SER A 100 5.975 -1.443 -8.193 1.00 0.00 O ATOM 0 H SER A 100 9.079 -1.703 -5.907 1.00 0.00 H new ATOM 0 HA SER A 100 8.405 -0.251 -8.125 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.616 -2.543 -7.621 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.627 -1.940 -6.307 1.00 0.00 H new ATOM 0 HG SER A 100 5.409 -2.241 -8.256 1.00 0.00 H new ATOM 143 N LYS A 101 6.991 1.710 -7.664 1.00 0.00 N ATOM 144 CA LYS A 101 6.223 2.923 -7.404 1.00 0.00 C ATOM 145 C LYS A 101 4.728 2.666 -7.569 1.00 0.00 C ATOM 146 O LYS A 101 3.899 3.490 -7.179 1.00 0.00 O ATOM 147 CB LYS A 101 6.670 4.050 -8.337 1.00 0.00 C ATOM 148 CG LYS A 101 6.447 3.752 -9.810 1.00 0.00 C ATOM 149 CD LYS A 101 6.895 4.904 -10.684 1.00 0.00 C ATOM 150 CE LYS A 101 6.608 4.639 -12.154 1.00 0.00 C ATOM 151 NZ LYS A 101 7.029 5.778 -13.016 1.00 0.00 N ATOM 0 H LYS A 101 7.408 1.667 -8.594 1.00 0.00 H new ATOM 0 HA LYS A 101 6.408 3.226 -6.373 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.132 4.961 -8.075 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.729 4.247 -8.172 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.994 2.850 -10.087 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.390 3.551 -9.985 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.386 5.816 -10.373 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.963 5.072 -10.546 1.00 0.00 H new ATOM 0 HE2 LYS A 101 7.128 3.734 -12.468 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.542 4.457 -12.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.816 5.558 -14.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.514 6.636 -12.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.051 5.936 -12.907 1.00 0.00 H new ATOM 165 N SER A 102 4.393 1.524 -8.161 1.00 0.00 N ATOM 166 CA SER A 102 3.000 1.153 -8.393 1.00 0.00 C ATOM 167 C SER A 102 2.201 1.129 -7.091 1.00 0.00 C ATOM 168 O SER A 102 1.061 1.592 -7.046 1.00 0.00 O ATOM 169 CB SER A 102 2.925 -0.215 -9.073 1.00 0.00 C ATOM 170 OG SER A 102 3.603 -0.204 -10.317 1.00 0.00 O ATOM 0 H SER A 102 5.070 0.836 -8.490 1.00 0.00 H new ATOM 0 HA SER A 102 2.560 1.908 -9.045 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.363 -0.972 -8.423 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.882 -0.492 -9.226 1.00 0.00 H new ATOM 0 HG SER A 102 3.542 -1.090 -10.731 1.00 0.00 H new ATOM 176 N TYR A 103 2.803 0.583 -6.038 1.00 0.00 N ATOM 177 CA TYR A 103 2.145 0.493 -4.736 1.00 0.00 C ATOM 178 C TYR A 103 1.624 1.854 -4.285 1.00 0.00 C ATOM 179 O TYR A 103 0.556 1.950 -3.682 1.00 0.00 O ATOM 180 CB TYR A 103 3.107 -0.069 -3.684 1.00 0.00 C ATOM 181 CG TYR A 103 3.462 -1.528 -3.883 1.00 0.00 C ATOM 182 CD1 TYR A 103 3.837 -2.017 -5.129 1.00 0.00 C ATOM 183 CD2 TYR A 103 3.423 -2.418 -2.817 1.00 0.00 C ATOM 184 CE1 TYR A 103 4.162 -3.348 -5.307 1.00 0.00 C ATOM 185 CE2 TYR A 103 3.748 -3.751 -2.987 1.00 0.00 C ATOM 186 CZ TYR A 103 4.116 -4.210 -4.233 1.00 0.00 C ATOM 187 OH TYR A 103 4.438 -5.537 -4.405 1.00 0.00 O ATOM 0 H TYR A 103 3.746 0.196 -6.060 1.00 0.00 H new ATOM 0 HA TYR A 103 1.297 -0.183 -4.841 1.00 0.00 H new ATOM 0 HB2 TYR A 103 4.024 0.521 -3.694 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.660 0.053 -2.697 1.00 0.00 H new ATOM 0 HD1 TYR A 103 3.875 -1.344 -5.973 1.00 0.00 H new ATOM 0 HD2 TYR A 103 3.134 -2.063 -1.839 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.450 -3.711 -6.282 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.714 -4.429 -2.147 1.00 0.00 H new ATOM 0 HH TYR A 103 5.090 -5.806 -3.724 1.00 0.00 H new ATOM 197 N LEU A 104 2.389 2.900 -4.576 1.00 0.00 N ATOM 198 CA LEU A 104 2.018 4.256 -4.202 1.00 0.00 C ATOM 199 C LEU A 104 0.624 4.611 -4.712 1.00 0.00 C ATOM 200 O LEU A 104 -0.166 5.237 -4.006 1.00 0.00 O ATOM 201 CB LEU A 104 3.046 5.244 -4.752 1.00 0.00 C ATOM 202 CG LEU A 104 4.449 5.151 -4.137 1.00 0.00 C ATOM 203 CD1 LEU A 104 4.411 5.539 -2.667 1.00 0.00 C ATOM 204 CD2 LEU A 104 5.045 3.762 -4.308 1.00 0.00 C ATOM 0 H LEU A 104 3.277 2.831 -5.074 1.00 0.00 H new ATOM 0 HA LEU A 104 2.002 4.317 -3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.130 5.093 -5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.669 6.255 -4.601 1.00 0.00 H new ATOM 0 HG LEU A 104 5.092 5.852 -4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.414 5.468 -2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.049 6.562 -2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.743 4.865 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.038 3.735 -3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.405 3.029 -3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.119 3.526 -5.370 1.00 0.00 H new ATOM 216 N THR A 105 0.329 4.208 -5.944 1.00 0.00 N ATOM 217 CA THR A 105 -0.968 4.486 -6.550 1.00 0.00 C ATOM 218 C THR A 105 -1.943 3.337 -6.309 1.00 0.00 C ATOM 219 O THR A 105 -1.583 2.168 -6.448 1.00 0.00 O ATOM 220 CB THR A 105 -0.838 4.723 -8.067 1.00 0.00 C ATOM 221 OG1 THR A 105 0.100 5.776 -8.319 1.00 0.00 O ATOM 222 CG2 THR A 105 -2.184 5.086 -8.677 1.00 0.00 C ATOM 0 H THR A 105 0.971 3.688 -6.542 1.00 0.00 H new ATOM 0 HA THR A 105 -1.352 5.391 -6.079 1.00 0.00 H new ATOM 0 HB THR A 105 -0.484 3.800 -8.526 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.179 5.920 -9.285 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.066 5.248 -9.748 1.00 0.00 H new ATOM 0 HG22 THR A 105 -2.891 4.273 -8.509 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.561 5.997 -8.211 1.00 0.00 H new ATOM 230 N LEU A 106 -3.177 3.677 -5.949 1.00 0.00 N ATOM 231 CA LEU A 106 -4.203 2.671 -5.691 1.00 0.00 C ATOM 232 C LEU A 106 -5.580 3.162 -6.125 1.00 0.00 C ATOM 233 O LEU A 106 -5.996 4.267 -5.777 1.00 0.00 O ATOM 234 CB LEU A 106 -4.223 2.299 -4.203 1.00 0.00 C ATOM 235 CG LEU A 106 -5.383 1.396 -3.765 1.00 0.00 C ATOM 236 CD1 LEU A 106 -5.525 0.197 -4.689 1.00 0.00 C ATOM 237 CD2 LEU A 106 -5.182 0.940 -2.329 1.00 0.00 C ATOM 0 H LEU A 106 -3.491 4.640 -5.829 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.957 1.785 -6.277 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.285 1.801 -3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.259 3.217 -3.617 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.304 1.975 -3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.355 -0.425 -4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -5.717 0.541 -5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.605 -0.387 -4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.012 0.300 -2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.248 0.383 -2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.141 1.810 -1.673 1.00 0.00 H new ATOM 249 N GLU A 107 -6.284 2.327 -6.883 1.00 0.00 N ATOM 250 CA GLU A 107 -7.619 2.666 -7.360 1.00 0.00 C ATOM 251 C GLU A 107 -8.615 2.654 -6.206 1.00 0.00 C ATOM 252 O GLU A 107 -8.656 1.704 -5.423 1.00 0.00 O ATOM 253 CB GLU A 107 -8.057 1.685 -8.450 1.00 0.00 C ATOM 254 CG GLU A 107 -9.415 2.004 -9.052 1.00 0.00 C ATOM 255 CD GLU A 107 -9.804 1.040 -10.156 1.00 0.00 C ATOM 256 OE1 GLU A 107 -9.907 -0.174 -9.875 1.00 0.00 O ATOM 257 OE2 GLU A 107 -10.005 1.496 -11.300 1.00 0.00 O ATOM 0 H GLU A 107 -5.951 1.410 -7.180 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.592 3.670 -7.784 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.310 1.681 -9.244 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -8.083 0.679 -8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -10.171 1.977 -8.268 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -9.403 3.019 -9.449 1.00 0.00 H new ATOM 264 N ASN A 108 -9.410 3.715 -6.102 1.00 0.00 N ATOM 265 CA ASN A 108 -10.400 3.830 -5.035 1.00 0.00 C ATOM 266 C ASN A 108 -9.739 3.667 -3.669 1.00 0.00 C ATOM 267 O ASN A 108 -10.269 2.993 -2.784 1.00 0.00 O ATOM 268 CB ASN A 108 -11.506 2.785 -5.214 1.00 0.00 C ATOM 269 CG ASN A 108 -12.276 2.973 -6.507 1.00 0.00 C ATOM 270 OD1 ASN A 108 -12.265 1.953 -7.356 1.00 0.00 O flip ATOM 271 ND2 ASN A 108 -12.876 4.022 -6.737 1.00 0.00 N flip ATOM 0 H ASN A 108 -9.388 4.508 -6.744 1.00 0.00 H new ATOM 0 HA ASN A 108 -10.846 4.823 -5.089 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -11.066 1.788 -5.198 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -12.196 2.842 -4.372 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -12.857 4.780 -6.055 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -13.392 4.133 -7.610 1.00 0.00 H new ATOM 278 N GLY A 109 -8.577 4.290 -3.507 1.00 0.00 N ATOM 279 CA GLY A 109 -7.856 4.203 -2.250 1.00 0.00 C ATOM 280 C GLY A 109 -6.593 5.038 -2.245 1.00 0.00 C ATOM 281 O GLY A 109 -6.003 5.299 -3.294 1.00 0.00 O ATOM 0 H GLY A 109 -8.121 4.854 -4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.507 4.530 -1.439 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.600 3.162 -2.053 1.00 0.00 H new ATOM 285 N LYS A 110 -6.183 5.456 -1.056 1.00 0.00 N ATOM 286 CA LYS A 110 -4.984 6.270 -0.897 1.00 0.00 C ATOM 287 C LYS A 110 -3.922 5.518 -0.105 1.00 0.00 C ATOM 288 O LYS A 110 -4.238 4.788 0.833 1.00 0.00 O ATOM 289 CB LYS A 110 -5.327 7.583 -0.193 1.00 0.00 C ATOM 290 CG LYS A 110 -6.381 8.401 -0.921 1.00 0.00 C ATOM 291 CD LYS A 110 -6.735 9.667 -0.160 1.00 0.00 C ATOM 292 CE LYS A 110 -7.326 9.357 1.207 1.00 0.00 C ATOM 293 NZ LYS A 110 -8.575 8.553 1.102 1.00 0.00 N ATOM 0 H LYS A 110 -6.665 5.244 -0.182 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.586 6.490 -1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.679 7.365 0.815 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.421 8.180 -0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.016 8.663 -1.914 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.278 7.797 -1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -5.842 10.280 -0.039 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.448 10.253 -0.740 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.594 8.814 1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.537 10.289 1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.063 8.549 2.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -9.197 8.971 0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -8.338 7.577 0.831 1.00 0.00 H new ATOM 307 N VAL A 111 -2.663 5.700 -0.487 1.00 0.00 N ATOM 308 CA VAL A 111 -1.562 5.034 0.195 1.00 0.00 C ATOM 309 C VAL A 111 -0.758 6.025 1.031 1.00 0.00 C ATOM 310 O VAL A 111 -0.382 7.098 0.557 1.00 0.00 O ATOM 311 CB VAL A 111 -0.624 4.328 -0.805 1.00 0.00 C ATOM 312 CG1 VAL A 111 0.467 3.569 -0.072 1.00 0.00 C ATOM 313 CG2 VAL A 111 -1.416 3.391 -1.705 1.00 0.00 C ATOM 0 H VAL A 111 -2.381 6.301 -1.262 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.001 4.283 0.853 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.151 5.087 -1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.118 3.078 -0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.053 4.264 0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.015 2.819 0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.739 2.901 -2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.916 2.638 -1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.160 3.962 -2.260 1.00 0.00 H new ATOM 323 N PHE A 112 -0.507 5.655 2.283 1.00 0.00 N ATOM 324 CA PHE A 112 0.244 6.499 3.208 1.00 0.00 C ATOM 325 C PHE A 112 1.615 5.899 3.496 1.00 0.00 C ATOM 326 O PHE A 112 1.788 4.686 3.446 1.00 0.00 O ATOM 327 CB PHE A 112 -0.534 6.672 4.516 1.00 0.00 C ATOM 328 CG PHE A 112 -1.705 7.613 4.413 1.00 0.00 C ATOM 329 CD1 PHE A 112 -2.608 7.515 3.366 1.00 0.00 C ATOM 330 CD2 PHE A 112 -1.900 8.597 5.369 1.00 0.00 C ATOM 331 CE1 PHE A 112 -3.682 8.381 3.274 1.00 0.00 C ATOM 332 CE2 PHE A 112 -2.972 9.466 5.282 1.00 0.00 C ATOM 333 CZ PHE A 112 -3.863 9.357 4.234 1.00 0.00 C ATOM 0 H PHE A 112 -0.815 4.769 2.683 1.00 0.00 H new ATOM 0 HA PHE A 112 0.383 7.475 2.743 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.893 5.697 4.845 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.146 7.038 5.285 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -2.471 6.753 2.613 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.206 8.686 6.192 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.378 8.294 2.453 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.112 10.229 6.033 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.701 10.034 4.165 1.00 0.00 H new ATOM 343 N LEU A 113 2.592 6.753 3.789 1.00 0.00 N ATOM 344 CA LEU A 113 3.943 6.288 4.075 1.00 0.00 C ATOM 345 C LEU A 113 4.731 7.318 4.881 1.00 0.00 C ATOM 346 O LEU A 113 4.506 8.523 4.760 1.00 0.00 O ATOM 347 CB LEU A 113 4.672 5.952 2.768 1.00 0.00 C ATOM 348 CG LEU A 113 4.844 7.111 1.776 1.00 0.00 C ATOM 349 CD1 LEU A 113 5.910 8.087 2.253 1.00 0.00 C ATOM 350 CD2 LEU A 113 5.216 6.575 0.403 1.00 0.00 C ATOM 0 H LEU A 113 2.473 7.765 3.834 1.00 0.00 H new ATOM 0 HA LEU A 113 3.868 5.385 4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 113 5.659 5.562 3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.129 5.150 2.268 1.00 0.00 H new ATOM 0 HG LEU A 113 3.894 7.642 1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.010 8.897 1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.621 8.497 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.863 7.567 2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.335 7.406 -0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.152 6.021 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.428 5.913 0.045 1.00 0.00 H new ATOM 362 N THR A 114 5.657 6.828 5.703 1.00 0.00 N ATOM 363 CA THR A 114 6.491 7.690 6.535 1.00 0.00 C ATOM 364 C THR A 114 7.842 7.036 6.805 1.00 0.00 C ATOM 365 O THR A 114 7.912 5.861 7.170 1.00 0.00 O ATOM 366 CB THR A 114 5.819 8.011 7.885 1.00 0.00 C ATOM 367 OG1 THR A 114 5.485 6.797 8.566 1.00 0.00 O ATOM 368 CG2 THR A 114 4.567 8.854 7.693 1.00 0.00 C ATOM 0 H THR A 114 5.849 5.832 5.810 1.00 0.00 H new ATOM 0 HA THR A 114 6.630 8.619 5.982 1.00 0.00 H new ATOM 0 HB THR A 114 6.526 8.584 8.485 1.00 0.00 H new ATOM 0 HG1 THR A 114 5.060 7.009 9.423 1.00 0.00 H new ATOM 0 HG21 THR A 114 4.117 9.063 8.663 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.831 9.793 7.206 1.00 0.00 H new ATOM 0 HG23 THR A 114 3.855 8.311 7.072 1.00 0.00 H new ATOM 376 N GLY A 115 8.912 7.802 6.619 1.00 0.00 N ATOM 377 CA GLY A 115 10.247 7.278 6.846 1.00 0.00 C ATOM 378 C GLY A 115 11.328 8.192 6.301 1.00 0.00 C ATOM 379 O GLY A 115 11.330 9.392 6.573 1.00 0.00 O ATOM 0 H GLY A 115 8.879 8.775 6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.401 7.135 7.916 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.334 6.298 6.378 1.00 0.00 H new ATOM 383 N GLY A 116 12.245 7.618 5.528 1.00 0.00 N ATOM 384 CA GLY A 116 13.326 8.394 4.945 1.00 0.00 C ATOM 385 C GLY A 116 12.829 9.428 3.953 1.00 0.00 C ATOM 386 O GLY A 116 12.011 10.282 4.293 1.00 0.00 O ATOM 0 H GLY A 116 12.259 6.625 5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 116 13.880 8.894 5.740 1.00 0.00 H new ATOM 0 HA3 GLY A 116 14.023 7.722 4.445 1.00 0.00 H new ATOM 390 N ASP A 117 13.325 9.352 2.722 1.00 0.00 N ATOM 391 CA ASP A 117 12.924 10.293 1.683 1.00 0.00 C ATOM 392 C ASP A 117 13.261 9.741 0.296 1.00 0.00 C ATOM 393 O ASP A 117 12.885 8.617 -0.037 1.00 0.00 O ATOM 394 CB ASP A 117 13.603 11.648 1.911 1.00 0.00 C ATOM 395 CG ASP A 117 13.036 12.743 1.026 1.00 0.00 C ATOM 396 OD1 ASP A 117 12.109 12.453 0.240 1.00 0.00 O ATOM 397 OD2 ASP A 117 13.519 13.891 1.120 1.00 0.00 O ATOM 0 H ASP A 117 14.002 8.651 2.421 1.00 0.00 H new ATOM 0 HA ASP A 117 11.844 10.433 1.735 1.00 0.00 H new ATOM 0 HB2 ASP A 117 13.489 11.936 2.956 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.672 11.551 1.722 1.00 0.00 H new ATOM 402 N LEU A 118 13.963 10.531 -0.513 1.00 0.00 N ATOM 403 CA LEU A 118 14.333 10.110 -1.861 1.00 0.00 C ATOM 404 C LEU A 118 15.829 10.299 -2.107 1.00 0.00 C ATOM 405 O LEU A 118 16.378 11.371 -1.854 1.00 0.00 O ATOM 406 CB LEU A 118 13.528 10.902 -2.893 1.00 0.00 C ATOM 407 CG LEU A 118 13.940 10.700 -4.355 1.00 0.00 C ATOM 408 CD1 LEU A 118 13.542 9.314 -4.839 1.00 0.00 C ATOM 409 CD2 LEU A 118 13.306 11.766 -5.236 1.00 0.00 C ATOM 0 H LEU A 118 14.286 11.464 -0.259 1.00 0.00 H new ATOM 0 HA LEU A 118 14.105 9.049 -1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 118 12.477 10.633 -2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 118 13.610 11.962 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 118 15.024 10.790 -4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 118 13.844 9.191 -5.879 1.00 0.00 H new ATOM 0 HD12 LEU A 118 14.035 8.559 -4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 118 12.461 9.197 -4.758 1.00 0.00 H new ATOM 0 HD21 LEU A 118 13.608 11.609 -6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 118 12.220 11.702 -5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 118 13.635 12.752 -4.908 1.00 0.00 H new ATOM 421 N PRO A 119 16.507 9.253 -2.612 1.00 0.00 N ATOM 422 CA PRO A 119 15.890 7.970 -2.921 1.00 0.00 C ATOM 423 C PRO A 119 15.962 6.988 -1.753 1.00 0.00 C ATOM 424 O PRO A 119 16.249 5.805 -1.942 1.00 0.00 O ATOM 425 CB PRO A 119 16.740 7.483 -4.089 1.00 0.00 C ATOM 426 CG PRO A 119 18.108 8.036 -3.828 1.00 0.00 C ATOM 427 CD PRO A 119 17.944 9.238 -2.921 1.00 0.00 C ATOM 0 HA PRO A 119 14.825 8.054 -3.139 1.00 0.00 H new ATOM 0 HB2 PRO A 119 16.757 6.394 -4.138 1.00 0.00 H new ATOM 0 HB3 PRO A 119 16.345 7.839 -5.040 1.00 0.00 H new ATOM 0 HG2 PRO A 119 18.743 7.285 -3.359 1.00 0.00 H new ATOM 0 HG3 PRO A 119 18.591 8.323 -4.762 1.00 0.00 H new ATOM 0 HD2 PRO A 119 18.546 9.142 -2.017 1.00 0.00 H new ATOM 0 HD3 PRO A 119 18.256 10.158 -3.416 1.00 0.00 H new ATOM 435 N ALA A 120 15.705 7.485 -0.548 1.00 0.00 N ATOM 436 CA ALA A 120 15.745 6.652 0.650 1.00 0.00 C ATOM 437 C ALA A 120 14.454 5.852 0.820 1.00 0.00 C ATOM 438 O ALA A 120 13.880 5.805 1.908 1.00 0.00 O ATOM 439 CB ALA A 120 16.005 7.509 1.880 1.00 0.00 C ATOM 0 H ALA A 120 15.466 8.461 -0.374 1.00 0.00 H new ATOM 0 HA ALA A 120 16.563 5.940 0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 120 16.032 6.875 2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.961 8.021 1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 120 15.208 8.246 1.985 1.00 0.00 H new ATOM 445 N LEU A 121 14.005 5.223 -0.262 1.00 0.00 N ATOM 446 CA LEU A 121 12.784 4.422 -0.233 1.00 0.00 C ATOM 447 C LEU A 121 12.916 3.252 0.738 1.00 0.00 C ATOM 448 O LEU A 121 11.961 2.896 1.426 1.00 0.00 O ATOM 449 CB LEU A 121 12.448 3.898 -1.634 1.00 0.00 C ATOM 450 CG LEU A 121 11.940 4.946 -2.631 1.00 0.00 C ATOM 451 CD1 LEU A 121 10.666 5.601 -2.118 1.00 0.00 C ATOM 452 CD2 LEU A 121 13.007 5.994 -2.911 1.00 0.00 C ATOM 0 H LEU A 121 14.468 5.252 -1.170 1.00 0.00 H new ATOM 0 HA LEU A 121 11.974 5.067 0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 121 13.340 3.429 -2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 121 11.693 3.118 -1.539 1.00 0.00 H new ATOM 0 HG LEU A 121 11.712 4.438 -3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 121 10.322 6.342 -2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 121 9.896 4.842 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 121 10.867 6.090 -1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 121 12.621 6.725 -3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 121 13.276 6.497 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 121 13.890 5.511 -3.331 1.00 0.00 H new ATOM 464 N ASP A 122 14.103 2.653 0.782 1.00 0.00 N ATOM 465 CA ASP A 122 14.356 1.517 1.663 1.00 0.00 C ATOM 466 C ASP A 122 14.168 1.904 3.125 1.00 0.00 C ATOM 467 O ASP A 122 14.451 3.035 3.520 1.00 0.00 O ATOM 468 CB ASP A 122 15.773 0.982 1.446 1.00 0.00 C ATOM 469 CG ASP A 122 15.999 0.494 0.028 1.00 0.00 C ATOM 470 OD1 ASP A 122 15.281 -0.433 -0.401 1.00 0.00 O ATOM 471 OD2 ASP A 122 16.894 1.039 -0.652 1.00 0.00 O ATOM 0 H ASP A 122 14.905 2.935 0.218 1.00 0.00 H new ATOM 0 HA ASP A 122 13.636 0.736 1.418 1.00 0.00 H new ATOM 0 HB2 ASP A 122 16.493 1.767 1.676 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.960 0.164 2.142 1.00 0.00 H new ATOM 476 N GLY A 123 13.683 0.956 3.923 1.00 0.00 N ATOM 477 CA GLY A 123 13.458 1.215 5.334 1.00 0.00 C ATOM 478 C GLY A 123 12.120 1.877 5.599 1.00 0.00 C ATOM 479 O GLY A 123 11.487 1.625 6.625 1.00 0.00 O ATOM 0 H GLY A 123 13.442 0.013 3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.510 0.276 5.885 1.00 0.00 H new ATOM 0 HA3 GLY A 123 14.256 1.852 5.714 1.00 0.00 H new ATOM 483 N ALA A 124 11.692 2.731 4.674 1.00 0.00 N ATOM 484 CA ALA A 124 10.424 3.441 4.808 1.00 0.00 C ATOM 485 C ALA A 124 9.255 2.476 4.997 1.00 0.00 C ATOM 486 O ALA A 124 9.209 1.408 4.381 1.00 0.00 O ATOM 487 CB ALA A 124 10.187 4.322 3.592 1.00 0.00 C ATOM 0 H ALA A 124 12.207 2.949 3.821 1.00 0.00 H new ATOM 0 HA ALA A 124 10.485 4.066 5.699 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.238 4.847 3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 124 10.996 5.048 3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.157 3.704 2.695 1.00 0.00 H new ATOM 493 N ARG A 125 8.309 2.868 5.849 1.00 0.00 N ATOM 494 CA ARG A 125 7.130 2.052 6.124 1.00 0.00 C ATOM 495 C ARG A 125 5.914 2.631 5.409 1.00 0.00 C ATOM 496 O ARG A 125 5.717 3.846 5.396 1.00 0.00 O ATOM 497 CB ARG A 125 6.868 1.988 7.631 1.00 0.00 C ATOM 498 CG ARG A 125 8.033 1.425 8.432 1.00 0.00 C ATOM 499 CD ARG A 125 8.269 -0.044 8.120 1.00 0.00 C ATOM 500 NE ARG A 125 7.132 -0.876 8.508 1.00 0.00 N ATOM 501 CZ ARG A 125 6.720 -1.027 9.764 1.00 0.00 C ATOM 502 NH1 ARG A 125 7.363 -0.425 10.756 1.00 0.00 N ATOM 503 NH2 ARG A 125 5.666 -1.786 10.031 1.00 0.00 N ATOM 0 H ARG A 125 8.338 3.749 6.362 1.00 0.00 H new ATOM 0 HA ARG A 125 7.311 1.042 5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.640 2.990 7.994 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.985 1.375 7.811 1.00 0.00 H new ATOM 0 HG2 ARG A 125 8.936 1.994 8.211 1.00 0.00 H new ATOM 0 HG3 ARG A 125 7.834 1.544 9.497 1.00 0.00 H new ATOM 0 HD2 ARG A 125 8.457 -0.162 7.053 1.00 0.00 H new ATOM 0 HD3 ARG A 125 9.163 -0.386 8.641 1.00 0.00 H new ATOM 0 HE ARG A 125 6.625 -1.370 7.773 1.00 0.00 H new ATOM 0 HH11 ARG A 125 8.177 0.157 10.557 1.00 0.00 H new ATOM 0 HH12 ARG A 125 7.043 -0.544 11.717 1.00 0.00 H new ATOM 0 HH21 ARG A 125 5.170 -2.255 9.273 1.00 0.00 H new ATOM 0 HH22 ARG A 125 5.351 -1.901 10.994 1.00 0.00 H new ATOM 517 N VAL A 126 5.108 1.764 4.802 1.00 0.00 N ATOM 518 CA VAL A 126 3.928 2.219 4.076 1.00 0.00 C ATOM 519 C VAL A 126 2.650 1.558 4.590 1.00 0.00 C ATOM 520 O VAL A 126 2.592 0.343 4.778 1.00 0.00 O ATOM 521 CB VAL A 126 4.068 1.945 2.564 1.00 0.00 C ATOM 522 CG1 VAL A 126 4.152 0.454 2.289 1.00 0.00 C ATOM 523 CG2 VAL A 126 2.913 2.560 1.797 1.00 0.00 C ATOM 0 H VAL A 126 5.248 0.754 4.798 1.00 0.00 H new ATOM 0 HA VAL A 126 3.854 3.293 4.246 1.00 0.00 H new ATOM 0 HB VAL A 126 4.994 2.408 2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 126 4.250 0.287 1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 126 5.019 0.038 2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 126 3.247 -0.034 2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.032 2.355 0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 126 1.974 2.130 2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.901 3.638 1.959 1.00 0.00 H new ATOM 533 N GLU A 127 1.625 2.377 4.809 1.00 0.00 N ATOM 534 CA GLU A 127 0.337 1.897 5.292 1.00 0.00 C ATOM 535 C GLU A 127 -0.738 2.066 4.221 1.00 0.00 C ATOM 536 O GLU A 127 -1.007 3.180 3.769 1.00 0.00 O ATOM 537 CB GLU A 127 -0.063 2.662 6.556 1.00 0.00 C ATOM 538 CG GLU A 127 0.881 2.435 7.726 1.00 0.00 C ATOM 539 CD GLU A 127 0.491 3.234 8.953 1.00 0.00 C ATOM 540 OE1 GLU A 127 0.451 4.480 8.863 1.00 0.00 O ATOM 541 OE2 GLU A 127 0.226 2.615 10.005 1.00 0.00 O ATOM 0 H GLU A 127 1.664 3.385 4.657 1.00 0.00 H new ATOM 0 HA GLU A 127 0.429 0.836 5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -0.099 3.728 6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -1.070 2.364 6.848 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.894 1.374 7.977 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.894 2.705 7.428 1.00 0.00 H new ATOM 548 N PHE A 128 -1.353 0.956 3.820 1.00 0.00 N ATOM 549 CA PHE A 128 -2.401 0.985 2.803 1.00 0.00 C ATOM 550 C PHE A 128 -3.774 1.203 3.430 1.00 0.00 C ATOM 551 O PHE A 128 -4.021 0.795 4.565 1.00 0.00 O ATOM 552 CB PHE A 128 -2.405 -0.311 1.989 1.00 0.00 C ATOM 553 CG PHE A 128 -1.179 -0.499 1.138 1.00 0.00 C ATOM 554 CD1 PHE A 128 0.071 -0.642 1.717 1.00 0.00 C ATOM 555 CD2 PHE A 128 -1.282 -0.528 -0.244 1.00 0.00 C ATOM 556 CE1 PHE A 128 1.196 -0.813 0.934 1.00 0.00 C ATOM 557 CE2 PHE A 128 -0.159 -0.699 -1.032 1.00 0.00 C ATOM 558 CZ PHE A 128 1.081 -0.842 -0.442 1.00 0.00 C ATOM 0 H PHE A 128 -1.144 0.026 4.183 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.187 1.821 2.138 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -2.495 -1.157 2.671 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.286 -0.323 1.348 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.167 -0.620 2.792 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.250 -0.416 -0.710 1.00 0.00 H new ATOM 0 HE1 PHE A 128 2.165 -0.924 1.398 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.252 -0.721 -2.108 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.960 -0.976 -1.055 1.00 0.00 H new ATOM 568 N ARG A 129 -4.664 1.845 2.680 1.00 0.00 N ATOM 569 CA ARG A 129 -6.015 2.115 3.159 1.00 0.00 C ATOM 570 C ARG A 129 -6.936 2.510 2.008 1.00 0.00 C ATOM 571 O ARG A 129 -6.574 3.320 1.154 1.00 0.00 O ATOM 572 CB ARG A 129 -5.993 3.222 4.214 1.00 0.00 C ATOM 573 CG ARG A 129 -5.388 4.520 3.722 1.00 0.00 C ATOM 574 CD ARG A 129 -5.442 5.602 4.789 1.00 0.00 C ATOM 575 NE ARG A 129 -6.813 5.913 5.183 1.00 0.00 N ATOM 576 CZ ARG A 129 -7.129 6.831 6.090 1.00 0.00 C ATOM 577 NH1 ARG A 129 -6.174 7.525 6.696 1.00 0.00 N ATOM 578 NH2 ARG A 129 -8.399 7.058 6.393 1.00 0.00 N ATOM 0 H ARG A 129 -4.474 2.188 1.738 1.00 0.00 H new ATOM 0 HA ARG A 129 -6.401 1.201 3.609 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -7.012 3.411 4.551 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -5.430 2.875 5.081 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -4.353 4.351 3.427 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -5.922 4.857 2.833 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -4.878 5.277 5.664 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -4.959 6.505 4.415 1.00 0.00 H new ATOM 0 HE ARG A 129 -7.571 5.396 4.737 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -5.195 7.354 6.466 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -6.419 8.229 7.392 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -9.137 6.527 5.930 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -8.639 7.763 7.090 1.00 0.00 H new ATOM 592 N CYS A 130 -8.132 1.927 1.996 1.00 0.00 N ATOM 593 CA CYS A 130 -9.114 2.209 0.953 1.00 0.00 C ATOM 594 C CYS A 130 -9.994 3.393 1.344 1.00 0.00 C ATOM 595 O CYS A 130 -10.155 3.696 2.526 1.00 0.00 O ATOM 596 CB CYS A 130 -9.986 0.979 0.693 1.00 0.00 C ATOM 597 SG CYS A 130 -9.055 -0.506 0.188 1.00 0.00 S ATOM 0 H CYS A 130 -8.445 1.256 2.698 1.00 0.00 H new ATOM 0 HA CYS A 130 -8.574 2.461 0.040 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -10.550 0.750 1.597 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -10.712 1.220 -0.083 1.00 0.00 H new ATOM 602 N ASP A 131 -10.555 4.062 0.339 1.00 0.00 N ATOM 603 CA ASP A 131 -11.417 5.219 0.569 1.00 0.00 C ATOM 604 C ASP A 131 -12.531 4.883 1.557 1.00 0.00 C ATOM 605 O ASP A 131 -12.979 3.740 1.622 1.00 0.00 O ATOM 606 CB ASP A 131 -12.026 5.697 -0.751 1.00 0.00 C ATOM 607 CG ASP A 131 -12.981 4.682 -1.349 1.00 0.00 C ATOM 608 OD1 ASP A 131 -12.545 3.543 -1.622 1.00 0.00 O ATOM 609 OD2 ASP A 131 -14.167 5.025 -1.542 1.00 0.00 O ATOM 0 H ASP A 131 -10.428 3.822 -0.644 1.00 0.00 H new ATOM 0 HA ASP A 131 -10.805 6.015 0.993 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -12.555 6.635 -0.585 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -11.227 5.903 -1.463 1.00 0.00 H new ATOM 614 N PRO A 132 -12.987 5.879 2.344 1.00 0.00 N ATOM 615 CA PRO A 132 -14.054 5.691 3.341 1.00 0.00 C ATOM 616 C PRO A 132 -15.352 5.175 2.721 1.00 0.00 C ATOM 617 O PRO A 132 -16.319 5.921 2.565 1.00 0.00 O ATOM 618 CB PRO A 132 -14.260 7.094 3.923 1.00 0.00 C ATOM 619 CG PRO A 132 -12.992 7.819 3.633 1.00 0.00 C ATOM 620 CD PRO A 132 -12.493 7.267 2.329 1.00 0.00 C ATOM 0 HA PRO A 132 -13.780 4.944 4.086 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -15.114 7.591 3.463 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -14.455 7.052 4.995 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -13.163 8.893 3.563 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -12.262 7.664 4.428 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -12.884 7.825 1.479 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -11.406 7.307 2.264 1.00 0.00 H new ATOM 628 N ASP A 133 -15.356 3.894 2.371 1.00 0.00 N ATOM 629 CA ASP A 133 -16.513 3.251 1.765 1.00 0.00 C ATOM 630 C ASP A 133 -16.219 1.774 1.535 1.00 0.00 C ATOM 631 O ASP A 133 -17.071 0.913 1.755 1.00 0.00 O ATOM 632 CB ASP A 133 -16.874 3.931 0.440 1.00 0.00 C ATOM 633 CG ASP A 133 -18.114 3.337 -0.203 1.00 0.00 C ATOM 634 OD1 ASP A 133 -18.097 2.131 -0.527 1.00 0.00 O ATOM 635 OD2 ASP A 133 -19.101 4.079 -0.382 1.00 0.00 O ATOM 0 H ASP A 133 -14.557 3.273 2.500 1.00 0.00 H new ATOM 0 HA ASP A 133 -17.362 3.346 2.442 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -17.034 4.995 0.614 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -16.034 3.843 -0.250 1.00 0.00 H new ATOM 640 N PHE A 134 -14.994 1.496 1.100 1.00 0.00 N ATOM 641 CA PHE A 134 -14.553 0.131 0.845 1.00 0.00 C ATOM 642 C PHE A 134 -13.565 -0.304 1.924 1.00 0.00 C ATOM 643 O PHE A 134 -12.751 0.498 2.383 1.00 0.00 O ATOM 644 CB PHE A 134 -13.883 0.022 -0.532 1.00 0.00 C ATOM 645 CG PHE A 134 -14.744 0.467 -1.685 1.00 0.00 C ATOM 646 CD1 PHE A 134 -15.214 1.770 -1.763 1.00 0.00 C ATOM 647 CD2 PHE A 134 -15.075 -0.421 -2.697 1.00 0.00 C ATOM 648 CE1 PHE A 134 -15.999 2.176 -2.826 1.00 0.00 C ATOM 649 CE2 PHE A 134 -15.859 -0.019 -3.761 1.00 0.00 C ATOM 650 CZ PHE A 134 -16.321 1.280 -3.826 1.00 0.00 C ATOM 0 H PHE A 134 -14.285 2.205 0.916 1.00 0.00 H new ATOM 0 HA PHE A 134 -15.428 -0.519 0.862 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -12.971 0.618 -0.526 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -13.586 -1.014 -0.696 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -14.964 2.475 -0.984 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -14.716 -1.439 -2.653 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -16.360 3.193 -2.874 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -16.110 -0.721 -4.542 1.00 0.00 H new ATOM 0 HZ PHE A 134 -16.933 1.595 -4.658 1.00 0.00 H new ATOM 660 N HIS A 135 -13.637 -1.567 2.331 1.00 0.00 N ATOM 661 CA HIS A 135 -12.739 -2.078 3.361 1.00 0.00 C ATOM 662 C HIS A 135 -11.603 -2.889 2.745 1.00 0.00 C ATOM 663 O HIS A 135 -11.831 -3.790 1.935 1.00 0.00 O ATOM 664 CB HIS A 135 -13.513 -2.932 4.369 1.00 0.00 C ATOM 665 CG HIS A 135 -14.209 -4.108 3.757 1.00 0.00 C ATOM 666 ND1 HIS A 135 -15.170 -3.988 2.775 1.00 0.00 N ATOM 667 CD2 HIS A 135 -14.080 -5.435 3.994 1.00 0.00 C ATOM 668 CE1 HIS A 135 -15.602 -5.190 2.435 1.00 0.00 C ATOM 669 NE2 HIS A 135 -14.955 -6.085 3.160 1.00 0.00 N ATOM 0 H HIS A 135 -14.301 -2.250 1.968 1.00 0.00 H new ATOM 0 HA HIS A 135 -12.304 -1.225 3.882 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -12.824 -3.288 5.135 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -14.251 -2.306 4.871 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -13.413 -5.896 4.707 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -16.355 -5.404 1.691 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -15.085 -7.095 3.108 1.00 0.00 H new ATOM 678 N LEU A 136 -10.373 -2.556 3.133 1.00 0.00 N ATOM 679 CA LEU A 136 -9.190 -3.242 2.624 1.00 0.00 C ATOM 680 C LEU A 136 -9.014 -4.590 3.320 1.00 0.00 C ATOM 681 O LEU A 136 -9.069 -4.678 4.546 1.00 0.00 O ATOM 682 CB LEU A 136 -7.952 -2.357 2.826 1.00 0.00 C ATOM 683 CG LEU A 136 -6.678 -2.818 2.110 1.00 0.00 C ATOM 684 CD1 LEU A 136 -5.668 -1.682 2.052 1.00 0.00 C ATOM 685 CD2 LEU A 136 -6.068 -4.020 2.811 1.00 0.00 C ATOM 0 H LEU A 136 -10.171 -1.812 3.801 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.316 -3.429 1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -8.191 -1.348 2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.744 -2.295 3.894 1.00 0.00 H new ATOM 0 HG LEU A 136 -6.945 -3.110 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -4.767 -2.022 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -6.098 -0.840 1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.414 -1.369 3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -5.165 -4.329 2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -5.816 -3.753 3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -6.785 -4.841 2.815 1.00 0.00 H new ATOM 697 N VAL A 137 -8.814 -5.638 2.526 1.00 0.00 N ATOM 698 CA VAL A 137 -8.642 -6.986 3.060 1.00 0.00 C ATOM 699 C VAL A 137 -7.431 -7.682 2.439 1.00 0.00 C ATOM 700 O VAL A 137 -7.579 -8.658 1.704 1.00 0.00 O ATOM 701 CB VAL A 137 -9.900 -7.842 2.809 1.00 0.00 C ATOM 702 CG1 VAL A 137 -9.775 -9.203 3.480 1.00 0.00 C ATOM 703 CG2 VAL A 137 -11.147 -7.117 3.291 1.00 0.00 C ATOM 0 H VAL A 137 -8.767 -5.580 1.509 1.00 0.00 H new ATOM 0 HA VAL A 137 -8.480 -6.886 4.133 1.00 0.00 H new ATOM 0 HB VAL A 137 -9.991 -8.003 1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -10.675 -9.787 3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -8.909 -9.728 3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -9.652 -9.069 4.555 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -12.024 -7.738 3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -11.063 -6.919 4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -11.250 -6.174 2.754 1.00 0.00 H new ATOM 713 N GLY A 138 -6.234 -7.180 2.725 1.00 0.00 N ATOM 714 CA GLY A 138 -5.039 -7.786 2.163 1.00 0.00 C ATOM 715 C GLY A 138 -3.759 -7.217 2.737 1.00 0.00 C ATOM 716 O GLY A 138 -3.573 -7.194 3.953 1.00 0.00 O ATOM 0 H GLY A 138 -6.070 -6.374 3.328 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -5.065 -8.861 2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -5.040 -7.644 1.082 1.00 0.00 H new ATOM 720 N SER A 139 -2.873 -6.769 1.851 1.00 0.00 N ATOM 721 CA SER A 139 -1.591 -6.197 2.250 1.00 0.00 C ATOM 722 C SER A 139 -1.773 -4.814 2.873 1.00 0.00 C ATOM 723 O SER A 139 -1.221 -3.825 2.391 1.00 0.00 O ATOM 724 CB SER A 139 -0.654 -6.109 1.046 1.00 0.00 C ATOM 725 OG SER A 139 0.559 -5.465 1.388 1.00 0.00 O ATOM 0 H SER A 139 -3.023 -6.792 0.842 1.00 0.00 H new ATOM 0 HA SER A 139 -1.150 -6.853 3.000 1.00 0.00 H new ATOM 0 HB2 SER A 139 -0.444 -7.111 0.671 1.00 0.00 H new ATOM 0 HB3 SER A 139 -1.144 -5.563 0.240 1.00 0.00 H new ATOM 0 HG SER A 139 1.075 -5.286 0.574 1.00 0.00 H new ATOM 731 N SER A 140 -2.553 -4.756 3.944 1.00 0.00 N ATOM 732 CA SER A 140 -2.816 -3.507 4.640 1.00 0.00 C ATOM 733 C SER A 140 -1.512 -2.848 5.086 1.00 0.00 C ATOM 734 O SER A 140 -1.441 -1.628 5.235 1.00 0.00 O ATOM 735 CB SER A 140 -3.723 -3.766 5.846 1.00 0.00 C ATOM 736 OG SER A 140 -4.048 -2.558 6.511 1.00 0.00 O ATOM 0 H SER A 140 -3.017 -5.568 4.351 1.00 0.00 H new ATOM 0 HA SER A 140 -3.320 -2.826 3.954 1.00 0.00 H new ATOM 0 HB2 SER A 140 -4.637 -4.261 5.517 1.00 0.00 H new ATOM 0 HB3 SER A 140 -3.225 -4.444 6.540 1.00 0.00 H new ATOM 0 HG SER A 140 -4.629 -2.752 7.276 1.00 0.00 H new ATOM 742 N ARG A 141 -0.482 -3.666 5.293 1.00 0.00 N ATOM 743 CA ARG A 141 0.823 -3.166 5.719 1.00 0.00 C ATOM 744 C ARG A 141 1.936 -3.721 4.833 1.00 0.00 C ATOM 745 O ARG A 141 1.936 -4.900 4.489 1.00 0.00 O ATOM 746 CB ARG A 141 1.088 -3.540 7.178 1.00 0.00 C ATOM 747 CG ARG A 141 2.434 -3.057 7.694 1.00 0.00 C ATOM 748 CD ARG A 141 2.670 -3.488 9.134 1.00 0.00 C ATOM 749 NE ARG A 141 1.655 -2.957 10.040 1.00 0.00 N ATOM 750 CZ ARG A 141 1.473 -1.659 10.271 1.00 0.00 C ATOM 751 NH1 ARG A 141 2.247 -0.759 9.678 1.00 0.00 N ATOM 752 NH2 ARG A 141 0.517 -1.261 11.100 1.00 0.00 N ATOM 0 H ARG A 141 -0.526 -4.678 5.173 1.00 0.00 H new ATOM 0 HA ARG A 141 0.813 -2.080 5.625 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.298 -3.121 7.801 1.00 0.00 H new ATOM 0 HB3 ARG A 141 1.036 -4.624 7.282 1.00 0.00 H new ATOM 0 HG2 ARG A 141 3.229 -3.451 7.061 1.00 0.00 H new ATOM 0 HG3 ARG A 141 2.481 -1.970 7.627 1.00 0.00 H new ATOM 0 HD2 ARG A 141 2.672 -4.577 9.190 1.00 0.00 H new ATOM 0 HD3 ARG A 141 3.655 -3.150 9.456 1.00 0.00 H new ATOM 0 HE ARG A 141 1.050 -3.620 10.524 1.00 0.00 H new ATOM 0 HH11 ARG A 141 2.985 -1.061 9.042 1.00 0.00 H new ATOM 0 HH12 ARG A 141 2.104 0.235 9.858 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -0.078 -1.950 11.560 1.00 0.00 H new ATOM 0 HH22 ARG A 141 0.377 -0.266 11.277 1.00 0.00 H new ATOM 766 N SER A 142 2.883 -2.857 4.472 1.00 0.00 N ATOM 767 CA SER A 142 4.013 -3.242 3.625 1.00 0.00 C ATOM 768 C SER A 142 5.239 -2.403 3.976 1.00 0.00 C ATOM 769 O SER A 142 5.160 -1.502 4.811 1.00 0.00 O ATOM 770 CB SER A 142 3.657 -3.052 2.149 1.00 0.00 C ATOM 771 OG SER A 142 4.726 -3.454 1.309 1.00 0.00 O ATOM 0 H SER A 142 2.890 -1.877 4.755 1.00 0.00 H new ATOM 0 HA SER A 142 4.239 -4.294 3.800 1.00 0.00 H new ATOM 0 HB2 SER A 142 2.765 -3.631 1.910 1.00 0.00 H new ATOM 0 HB3 SER A 142 3.417 -2.005 1.962 1.00 0.00 H new ATOM 0 HG SER A 142 4.423 -4.173 0.716 1.00 0.00 H new ATOM 777 N VAL A 143 6.373 -2.699 3.345 1.00 0.00 N ATOM 778 CA VAL A 143 7.601 -1.961 3.616 1.00 0.00 C ATOM 779 C VAL A 143 8.623 -2.120 2.494 1.00 0.00 C ATOM 780 O VAL A 143 8.832 -3.216 1.976 1.00 0.00 O ATOM 781 CB VAL A 143 8.235 -2.417 4.941 1.00 0.00 C ATOM 782 CG1 VAL A 143 8.574 -3.901 4.893 1.00 0.00 C ATOM 783 CG2 VAL A 143 9.470 -1.589 5.258 1.00 0.00 C ATOM 0 H VAL A 143 6.466 -3.438 2.649 1.00 0.00 H new ATOM 0 HA VAL A 143 7.323 -0.909 3.685 1.00 0.00 H new ATOM 0 HB VAL A 143 7.509 -2.262 5.739 1.00 0.00 H new ATOM 0 HG11 VAL A 143 9.021 -4.203 5.840 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.664 -4.477 4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 143 9.279 -4.087 4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 143 9.903 -1.928 6.199 1.00 0.00 H new ATOM 0 HG22 VAL A 143 10.202 -1.706 4.459 1.00 0.00 H new ATOM 0 HG23 VAL A 143 9.192 -0.539 5.344 1.00 0.00 H new ATOM 793 N CYS A 144 9.264 -1.010 2.133 1.00 0.00 N ATOM 794 CA CYS A 144 10.275 -1.010 1.081 1.00 0.00 C ATOM 795 C CYS A 144 11.606 -1.545 1.605 1.00 0.00 C ATOM 796 O CYS A 144 12.052 -1.166 2.688 1.00 0.00 O ATOM 797 CB CYS A 144 10.460 0.405 0.528 1.00 0.00 C ATOM 798 SG CYS A 144 11.810 0.565 -0.685 1.00 0.00 S ATOM 0 H CYS A 144 9.099 -0.097 2.556 1.00 0.00 H new ATOM 0 HA CYS A 144 9.933 -1.665 0.279 1.00 0.00 H new ATOM 0 HB2 CYS A 144 9.528 0.725 0.062 1.00 0.00 H new ATOM 0 HB3 CYS A 144 10.651 1.085 1.358 1.00 0.00 H new ATOM 803 N SER A 145 12.238 -2.420 0.826 1.00 0.00 N ATOM 804 CA SER A 145 13.522 -3.003 1.209 1.00 0.00 C ATOM 805 C SER A 145 14.079 -3.880 0.090 1.00 0.00 C ATOM 806 O SER A 145 13.362 -4.699 -0.484 1.00 0.00 O ATOM 807 CB SER A 145 13.376 -3.828 2.490 1.00 0.00 C ATOM 808 OG SER A 145 14.617 -4.386 2.884 1.00 0.00 O ATOM 0 H SER A 145 11.882 -2.741 -0.074 1.00 0.00 H new ATOM 0 HA SER A 145 14.220 -2.185 1.390 1.00 0.00 H new ATOM 0 HB2 SER A 145 12.988 -3.197 3.290 1.00 0.00 H new ATOM 0 HB3 SER A 145 12.650 -4.625 2.332 1.00 0.00 H new ATOM 0 HG SER A 145 14.496 -4.906 3.706 1.00 0.00 H new ATOM 814 N GLN A 146 15.363 -3.701 -0.212 1.00 0.00 N ATOM 815 CA GLN A 146 16.023 -4.474 -1.260 1.00 0.00 C ATOM 816 C GLN A 146 15.303 -4.317 -2.597 1.00 0.00 C ATOM 817 O GLN A 146 15.143 -5.284 -3.343 1.00 0.00 O ATOM 818 CB GLN A 146 16.084 -5.954 -0.875 1.00 0.00 C ATOM 819 CG GLN A 146 16.874 -6.225 0.395 1.00 0.00 C ATOM 820 CD GLN A 146 16.970 -7.702 0.733 1.00 0.00 C ATOM 821 OE1 GLN A 146 16.382 -8.550 -0.108 1.00 0.00 O flip ATOM 822 NE2 GLN A 146 17.569 -8.081 1.740 1.00 0.00 N flip ATOM 0 H GLN A 146 15.968 -3.026 0.256 1.00 0.00 H new ATOM 0 HA GLN A 146 17.037 -4.090 -1.367 1.00 0.00 H new ATOM 0 HB2 GLN A 146 15.068 -6.329 -0.747 1.00 0.00 H new ATOM 0 HB3 GLN A 146 16.530 -6.515 -1.696 1.00 0.00 H new ATOM 0 HG2 GLN A 146 17.879 -5.818 0.284 1.00 0.00 H new ATOM 0 HG3 GLN A 146 16.406 -5.698 1.226 1.00 0.00 H new ATOM 0 HE21 GLN A 146 18.007 -7.399 2.360 1.00 0.00 H new ATOM 0 HE22 GLN A 146 17.627 -9.077 1.954 1.00 0.00 H new ATOM 831 N GLY A 147 14.875 -3.094 -2.894 1.00 0.00 N ATOM 832 CA GLY A 147 14.180 -2.833 -4.143 1.00 0.00 C ATOM 833 C GLY A 147 12.957 -3.710 -4.321 1.00 0.00 C ATOM 834 O GLY A 147 12.718 -4.238 -5.408 1.00 0.00 O ATOM 0 H GLY A 147 14.997 -2.279 -2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 147 13.880 -1.786 -4.176 1.00 0.00 H new ATOM 0 HA3 GLY A 147 14.864 -2.995 -4.976 1.00 0.00 H new ATOM 838 N GLN A 148 12.183 -3.865 -3.251 1.00 0.00 N ATOM 839 CA GLN A 148 10.978 -4.686 -3.287 1.00 0.00 C ATOM 840 C GLN A 148 10.222 -4.592 -1.966 1.00 0.00 C ATOM 841 O GLN A 148 10.827 -4.599 -0.894 1.00 0.00 O ATOM 842 CB GLN A 148 11.339 -6.144 -3.580 1.00 0.00 C ATOM 843 CG GLN A 148 10.133 -7.067 -3.665 1.00 0.00 C ATOM 844 CD GLN A 148 10.521 -8.506 -3.942 1.00 0.00 C ATOM 845 OE1 GLN A 148 11.131 -8.812 -4.966 1.00 0.00 O ATOM 846 NE2 GLN A 148 10.167 -9.401 -3.026 1.00 0.00 N ATOM 0 H GLN A 148 12.370 -3.432 -2.347 1.00 0.00 H new ATOM 0 HA GLN A 148 10.334 -4.313 -4.083 1.00 0.00 H new ATOM 0 HB2 GLN A 148 11.889 -6.191 -4.520 1.00 0.00 H new ATOM 0 HB3 GLN A 148 12.009 -6.507 -2.801 1.00 0.00 H new ATOM 0 HG2 GLN A 148 9.576 -7.018 -2.730 1.00 0.00 H new ATOM 0 HG3 GLN A 148 9.466 -6.716 -4.452 1.00 0.00 H new ATOM 0 HE21 GLN A 148 9.662 -9.104 -2.191 1.00 0.00 H new ATOM 0 HE22 GLN A 148 10.400 -10.385 -3.158 1.00 0.00 H new ATOM 855 N TRP A 149 8.900 -4.503 -2.049 1.00 0.00 N ATOM 856 CA TRP A 149 8.068 -4.407 -0.855 1.00 0.00 C ATOM 857 C TRP A 149 7.785 -5.796 -0.292 1.00 0.00 C ATOM 858 O TRP A 149 7.556 -6.743 -1.045 1.00 0.00 O ATOM 859 CB TRP A 149 6.752 -3.692 -1.176 1.00 0.00 C ATOM 860 CG TRP A 149 6.934 -2.423 -1.952 1.00 0.00 C ATOM 861 CD1 TRP A 149 7.248 -2.312 -3.277 1.00 0.00 C ATOM 862 CD2 TRP A 149 6.829 -1.084 -1.452 1.00 0.00 C ATOM 863 NE1 TRP A 149 7.332 -0.988 -3.633 1.00 0.00 N ATOM 864 CE2 TRP A 149 7.081 -0.214 -2.530 1.00 0.00 C ATOM 865 CE3 TRP A 149 6.543 -0.536 -0.199 1.00 0.00 C ATOM 866 CZ2 TRP A 149 7.056 1.170 -2.393 1.00 0.00 C ATOM 867 CZ3 TRP A 149 6.518 0.840 -0.064 1.00 0.00 C ATOM 868 CH2 TRP A 149 6.774 1.679 -1.155 1.00 0.00 C ATOM 0 H TRP A 149 8.382 -4.495 -2.928 1.00 0.00 H new ATOM 0 HA TRP A 149 8.607 -3.828 -0.106 1.00 0.00 H new ATOM 0 HB2 TRP A 149 6.110 -4.366 -1.743 1.00 0.00 H new ATOM 0 HB3 TRP A 149 6.233 -3.467 -0.244 1.00 0.00 H new ATOM 0 HD1 TRP A 149 7.407 -3.144 -3.947 1.00 0.00 H new ATOM 0 HE1 TRP A 149 7.546 -0.638 -4.567 1.00 0.00 H new ATOM 0 HE3 TRP A 149 6.345 -1.175 0.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 7.252 1.819 -3.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 6.297 1.275 0.900 1.00 0.00 H new ATOM 0 HH2 TRP A 149 6.748 2.750 -1.016 1.00 0.00 H new ATOM 879 N SER A 150 7.806 -5.916 1.034 1.00 0.00 N ATOM 880 CA SER A 150 7.555 -7.198 1.685 1.00 0.00 C ATOM 881 C SER A 150 6.245 -7.807 1.198 1.00 0.00 C ATOM 882 O SER A 150 6.233 -8.894 0.618 1.00 0.00 O ATOM 883 CB SER A 150 7.517 -7.025 3.205 1.00 0.00 C ATOM 884 OG SER A 150 6.506 -6.112 3.591 1.00 0.00 O ATOM 0 H SER A 150 7.993 -5.145 1.675 1.00 0.00 H new ATOM 0 HA SER A 150 8.369 -7.875 1.425 1.00 0.00 H new ATOM 0 HB2 SER A 150 7.339 -7.990 3.679 1.00 0.00 H new ATOM 0 HB3 SER A 150 8.485 -6.670 3.558 1.00 0.00 H new ATOM 0 HG SER A 150 6.405 -6.129 4.566 1.00 0.00 H new ATOM 890 N THR A 151 5.143 -7.098 1.425 1.00 0.00 N ATOM 891 CA THR A 151 3.831 -7.569 0.996 1.00 0.00 C ATOM 892 C THR A 151 3.386 -6.867 -0.285 1.00 0.00 C ATOM 893 O THR A 151 3.610 -5.668 -0.451 1.00 0.00 O ATOM 894 CB THR A 151 2.772 -7.342 2.085 1.00 0.00 C ATOM 895 OG1 THR A 151 2.779 -5.970 2.484 1.00 0.00 O ATOM 896 CG2 THR A 151 3.031 -8.230 3.292 1.00 0.00 C ATOM 0 H THR A 151 5.133 -6.197 1.903 1.00 0.00 H new ATOM 0 HA THR A 151 3.925 -8.638 0.807 1.00 0.00 H new ATOM 0 HB THR A 151 1.796 -7.600 1.674 1.00 0.00 H new ATOM 0 HG1 THR A 151 1.872 -5.605 2.418 1.00 0.00 H new ATOM 0 HG21 THR A 151 2.267 -8.049 4.048 1.00 0.00 H new ATOM 0 HG22 THR A 151 3.000 -9.276 2.987 1.00 0.00 H new ATOM 0 HG23 THR A 151 4.013 -8.002 3.707 1.00 0.00 H new ATOM 904 N PRO A 152 2.750 -7.607 -1.212 1.00 0.00 N ATOM 905 CA PRO A 152 2.275 -7.046 -2.484 1.00 0.00 C ATOM 906 C PRO A 152 1.201 -5.983 -2.284 1.00 0.00 C ATOM 907 O PRO A 152 1.146 -5.323 -1.247 1.00 0.00 O ATOM 908 CB PRO A 152 1.688 -8.257 -3.223 1.00 0.00 C ATOM 909 CG PRO A 152 2.246 -9.453 -2.528 1.00 0.00 C ATOM 910 CD PRO A 152 2.445 -9.042 -1.099 1.00 0.00 C ATOM 0 HA PRO A 152 3.079 -6.548 -3.027 1.00 0.00 H new ATOM 0 HB2 PRO A 152 0.599 -8.252 -3.183 1.00 0.00 H new ATOM 0 HB3 PRO A 152 1.968 -8.248 -4.276 1.00 0.00 H new ATOM 0 HG2 PRO A 152 1.564 -10.300 -2.599 1.00 0.00 H new ATOM 0 HG3 PRO A 152 3.188 -9.763 -2.980 1.00 0.00 H new ATOM 0 HD2 PRO A 152 1.553 -9.220 -0.499 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.260 -9.593 -0.629 1.00 0.00 H new ATOM 918 N LYS A 153 0.347 -5.827 -3.288 1.00 0.00 N ATOM 919 CA LYS A 153 -0.733 -4.848 -3.233 1.00 0.00 C ATOM 920 C LYS A 153 -2.064 -5.536 -2.926 1.00 0.00 C ATOM 921 O LYS A 153 -2.438 -6.500 -3.594 1.00 0.00 O ATOM 922 CB LYS A 153 -0.820 -4.093 -4.560 1.00 0.00 C ATOM 923 CG LYS A 153 -1.727 -2.875 -4.518 1.00 0.00 C ATOM 924 CD LYS A 153 -1.763 -2.166 -5.862 1.00 0.00 C ATOM 925 CE LYS A 153 -2.573 -0.883 -5.795 1.00 0.00 C ATOM 926 NZ LYS A 153 -2.684 -0.228 -7.128 1.00 0.00 N ATOM 0 H LYS A 153 0.381 -6.367 -4.153 1.00 0.00 H new ATOM 0 HA LYS A 153 -0.521 -4.137 -2.434 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.181 -3.778 -4.854 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -1.179 -4.774 -5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.735 -3.180 -4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -1.378 -2.185 -3.750 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -0.746 -1.939 -6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -2.192 -2.829 -6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -3.570 -1.102 -5.414 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -2.106 -0.195 -5.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -2.283 0.730 -7.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.162 -0.786 -7.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -3.685 -0.170 -7.404 1.00 0.00 H new ATOM 940 N PRO A 154 -2.799 -5.055 -1.905 1.00 0.00 N ATOM 941 CA PRO A 154 -4.090 -5.641 -1.515 1.00 0.00 C ATOM 942 C PRO A 154 -5.204 -5.330 -2.512 1.00 0.00 C ATOM 943 O PRO A 154 -4.948 -5.102 -3.694 1.00 0.00 O ATOM 944 CB PRO A 154 -4.382 -4.976 -0.170 1.00 0.00 C ATOM 945 CG PRO A 154 -3.669 -3.669 -0.233 1.00 0.00 C ATOM 946 CD PRO A 154 -2.429 -3.912 -1.048 1.00 0.00 C ATOM 0 HA PRO A 154 -4.045 -6.729 -1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -5.453 -4.836 -0.021 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -4.022 -5.584 0.659 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -4.295 -2.905 -0.694 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -3.416 -3.314 0.766 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -2.160 -3.037 -1.640 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -1.572 -4.145 -0.416 1.00 0.00 H new ATOM 954 N HIS A 155 -6.441 -5.319 -2.019 1.00 0.00 N ATOM 955 CA HIS A 155 -7.600 -5.029 -2.857 1.00 0.00 C ATOM 956 C HIS A 155 -8.735 -4.451 -2.017 1.00 0.00 C ATOM 957 O HIS A 155 -8.920 -4.836 -0.862 1.00 0.00 O ATOM 958 CB HIS A 155 -8.073 -6.291 -3.586 1.00 0.00 C ATOM 959 CG HIS A 155 -8.561 -7.374 -2.675 1.00 0.00 C ATOM 960 ND1 HIS A 155 -7.768 -7.968 -1.716 1.00 0.00 N ATOM 961 CD2 HIS A 155 -9.772 -7.973 -2.583 1.00 0.00 C ATOM 962 CE1 HIS A 155 -8.469 -8.887 -1.076 1.00 0.00 C ATOM 963 NE2 HIS A 155 -9.688 -8.910 -1.582 1.00 0.00 N ATOM 0 H HIS A 155 -6.665 -5.508 -1.042 1.00 0.00 H new ATOM 0 HA HIS A 155 -7.303 -4.290 -3.602 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -8.874 -6.022 -4.275 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -7.252 -6.680 -4.188 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -10.642 -7.755 -3.185 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -8.106 -9.513 -0.275 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -10.444 -9.524 -1.279 1.00 0.00 H new ATOM 972 N CYS A 156 -9.489 -3.522 -2.598 1.00 0.00 N ATOM 973 CA CYS A 156 -10.600 -2.892 -1.891 1.00 0.00 C ATOM 974 C CYS A 156 -11.921 -3.564 -2.251 1.00 0.00 C ATOM 975 O CYS A 156 -12.201 -3.821 -3.422 1.00 0.00 O ATOM 976 CB CYS A 156 -10.667 -1.401 -2.228 1.00 0.00 C ATOM 977 SG CYS A 156 -9.146 -0.475 -1.840 1.00 0.00 S ATOM 0 H CYS A 156 -9.352 -3.190 -3.553 1.00 0.00 H new ATOM 0 HA CYS A 156 -10.431 -3.008 -0.821 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -10.885 -1.290 -3.290 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -11.499 -0.954 -1.684 1.00 0.00 H new ATOM 982 N GLN A 157 -12.729 -3.850 -1.233 1.00 0.00 N ATOM 983 CA GLN A 157 -14.021 -4.498 -1.438 1.00 0.00 C ATOM 984 C GLN A 157 -15.166 -3.601 -0.976 1.00 0.00 C ATOM 985 O GLN A 157 -15.080 -2.957 0.070 1.00 0.00 O ATOM 986 CB GLN A 157 -14.072 -5.829 -0.687 1.00 0.00 C ATOM 987 CG GLN A 157 -15.397 -6.560 -0.834 1.00 0.00 C ATOM 988 CD GLN A 157 -15.458 -7.830 -0.010 1.00 0.00 C ATOM 989 OE1 GLN A 157 -14.661 -8.748 -0.202 1.00 0.00 O ATOM 990 NE2 GLN A 157 -16.409 -7.889 0.915 1.00 0.00 N ATOM 0 H GLN A 157 -12.512 -3.643 -0.258 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.137 -4.682 -2.506 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -13.270 -6.472 -1.049 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -13.882 -5.647 0.371 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -16.208 -5.897 -0.533 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -15.558 -6.805 -1.884 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -17.048 -7.104 1.040 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -16.500 -8.719 1.501 1.00 0.00 H new ATOM 999 N VAL A 158 -16.241 -3.572 -1.758 1.00 0.00 N ATOM 1000 CA VAL A 158 -17.406 -2.768 -1.427 1.00 0.00 C ATOM 1001 C VAL A 158 -18.339 -3.539 -0.503 1.00 0.00 C ATOM 1002 O VAL A 158 -18.693 -4.687 -0.778 1.00 0.00 O ATOM 1003 CB VAL A 158 -18.176 -2.342 -2.693 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -18.658 -3.559 -3.469 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -19.341 -1.432 -2.333 1.00 0.00 C ATOM 0 H VAL A 158 -16.326 -4.099 -2.627 1.00 0.00 H new ATOM 0 HA VAL A 158 -17.050 -1.871 -0.921 1.00 0.00 H new ATOM 0 HB VAL A 158 -17.494 -1.783 -3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -19.198 -3.233 -4.358 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -17.801 -4.164 -3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -19.320 -4.153 -2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -19.871 -1.143 -3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -20.023 -1.960 -1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -18.965 -0.540 -1.833 1.00 0.00 H new ATOM 1015 N ASN A 159 -18.731 -2.910 0.595 1.00 0.00 N ATOM 1016 CA ASN A 159 -19.618 -3.554 1.553 1.00 0.00 C ATOM 1017 C ASN A 159 -21.042 -3.635 1.010 1.00 0.00 C ATOM 1018 O ASN A 159 -21.934 -4.087 1.759 1.00 0.00 O ATOM 1019 CB ASN A 159 -19.604 -2.804 2.887 1.00 0.00 C ATOM 1020 CG ASN A 159 -20.033 -1.357 2.743 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -21.159 -1.068 2.337 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -19.134 -0.438 3.077 1.00 0.00 N ATOM 1023 OXT ASN A 159 -21.254 -3.244 -0.157 1.00 0.00 O ATOM 0 H ASN A 159 -18.452 -1.961 0.844 1.00 0.00 H new ATOM 0 HA ASN A 159 -19.255 -4.569 1.717 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -20.267 -3.308 3.591 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -18.601 -2.842 3.311 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -19.365 0.553 3.002 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -18.213 -0.723 3.409 1.00 0.00 H new