USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 598 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 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 194 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Set 2.1: A 85 TYR OH : rot 54:sc= 0.994 USER MOD Set 2.2: B 188 LYS NZ :NH3+ -110:sc= 1.18 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0.89 K(o=0.89,f=-0.41) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : B 160 SER OG : rot -42:sc= 0.164 USER MOD Single : B 168 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 170 THR OG1 : rot -54:sc= 0.652 USER MOD Single : B 172 GLN : amide:sc= -0.314 X(o=-0.31,f=0) USER MOD Single : B 177 ASN : amide:sc= 0.227 X(o=0.23,f=-0.16) USER MOD Single : B 180 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 183 THR OG1 : rot -120:sc= 0.795 USER MOD Single : B 184 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 187 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.48) USER MOD Single : B 190 GLN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : B 192 ASN : amide:sc= 1.06 K(o=1.1,f=-3.9) USER MOD Single : B 193 TYR OH : rot 180:sc= 0 USER MOD Single : B 201 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 202 HIS : no HD1:sc= -0.5 X(o=-0.5,f=-0.57) USER MOD Single : B 203 SER OG : rot 180:sc= 0 USER MOD Single : B 206 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.028) USER MOD Single : B 207 TYR OH : rot 30:sc=-0.00735 USER MOD Single : B 209 THR OG1 : rot 180:sc= 0 USER MOD Single : B 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 214 GLN : amide:sc= 0.388 X(o=0.39,f=0) USER MOD Single : B 215 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 THR OG1 : rot 12:sc= 0.856 USER MOD ----------------------------------------------------------------- ATOM 131 N GLU A 80 -11.218 -11.911 2.679 1.00 0.00 N ATOM 132 CA GLU A 80 -10.938 -10.623 2.059 1.00 0.00 C ATOM 133 C GLU A 80 -10.046 -9.797 2.984 1.00 0.00 C ATOM 134 O GLU A 80 -9.092 -9.176 2.519 1.00 0.00 O ATOM 135 CB GLU A 80 -12.273 -9.905 1.788 1.00 0.00 C ATOM 136 CG GLU A 80 -13.239 -10.681 0.875 1.00 0.00 C ATOM 137 CD GLU A 80 -14.698 -10.274 1.081 1.00 0.00 C ATOM 138 OE1 GLU A 80 -14.987 -9.066 1.231 1.00 0.00 O ATOM 139 OE2 GLU A 80 -15.575 -11.172 1.080 1.00 0.00 O ATOM 0 HA GLU A 80 -10.413 -10.759 1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -12.768 -9.713 2.740 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.065 -8.935 1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.963 -10.514 -0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.133 -11.749 1.065 1.00 0.00 H new ATOM 146 N PHE A 81 -10.339 -9.813 4.287 1.00 0.00 N ATOM 147 CA PHE A 81 -9.572 -9.078 5.281 1.00 0.00 C ATOM 148 C PHE A 81 -8.156 -9.627 5.413 1.00 0.00 C ATOM 149 O PHE A 81 -7.205 -8.842 5.431 1.00 0.00 O ATOM 150 CB PHE A 81 -10.319 -9.049 6.615 1.00 0.00 C ATOM 151 CG PHE A 81 -11.533 -8.148 6.553 1.00 0.00 C ATOM 152 CD1 PHE A 81 -11.374 -6.756 6.697 1.00 0.00 C ATOM 153 CD2 PHE A 81 -12.803 -8.681 6.266 1.00 0.00 C ATOM 154 CE1 PHE A 81 -12.459 -5.897 6.469 1.00 0.00 C ATOM 155 CE2 PHE A 81 -13.897 -7.821 6.069 1.00 0.00 C ATOM 156 CZ PHE A 81 -13.714 -6.430 6.134 1.00 0.00 C ATOM 0 H PHE A 81 -11.120 -10.340 4.678 1.00 0.00 H new ATOM 0 HA PHE A 81 -9.466 -8.046 4.945 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -10.628 -10.060 6.882 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.648 -8.703 7.401 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -10.415 -6.350 6.983 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -12.937 -9.750 6.197 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -12.329 -4.828 6.551 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -14.877 -8.229 5.868 1.00 0.00 H new ATOM 0 HZ PHE A 81 -14.542 -5.768 5.926 1.00 0.00 H new ATOM 166 N ALA A 82 -8.010 -10.951 5.494 1.00 0.00 N ATOM 167 CA ALA A 82 -6.718 -11.606 5.614 1.00 0.00 C ATOM 168 C ALA A 82 -5.836 -11.252 4.427 1.00 0.00 C ATOM 169 O ALA A 82 -4.717 -10.769 4.611 1.00 0.00 O ATOM 170 CB ALA A 82 -6.914 -13.123 5.659 1.00 0.00 C ATOM 0 H ALA A 82 -8.797 -11.600 5.477 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.237 -11.267 6.532 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.944 -13.613 5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.534 -13.385 6.517 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -7.404 -13.454 4.743 1.00 0.00 H new ATOM 176 N GLU A 83 -6.348 -11.477 3.222 1.00 0.00 N ATOM 177 CA GLU A 83 -5.623 -11.210 2.002 1.00 0.00 C ATOM 178 C GLU A 83 -5.276 -9.727 1.871 1.00 0.00 C ATOM 179 O GLU A 83 -4.168 -9.385 1.456 1.00 0.00 O ATOM 180 CB GLU A 83 -6.446 -11.733 0.827 1.00 0.00 C ATOM 181 CG GLU A 83 -5.649 -11.676 -0.479 1.00 0.00 C ATOM 182 CD GLU A 83 -4.554 -12.751 -0.519 1.00 0.00 C ATOM 183 OE1 GLU A 83 -3.553 -12.664 0.231 1.00 0.00 O ATOM 184 OE2 GLU A 83 -4.725 -13.691 -1.322 1.00 0.00 O ATOM 0 H GLU A 83 -7.284 -11.852 3.072 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.665 -11.731 2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.753 -12.760 1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.356 -11.142 0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.324 -11.811 -1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.196 -10.690 -0.587 1.00 0.00 H new ATOM 191 N PHE A 84 -6.178 -8.825 2.260 1.00 0.00 N ATOM 192 CA PHE A 84 -5.897 -7.400 2.181 1.00 0.00 C ATOM 193 C PHE A 84 -4.653 -7.087 3.028 1.00 0.00 C ATOM 194 O PHE A 84 -3.769 -6.364 2.570 1.00 0.00 O ATOM 195 CB PHE A 84 -7.138 -6.614 2.596 1.00 0.00 C ATOM 196 CG PHE A 84 -6.997 -5.117 2.455 1.00 0.00 C ATOM 197 CD1 PHE A 84 -6.931 -4.543 1.173 1.00 0.00 C ATOM 198 CD2 PHE A 84 -6.955 -4.294 3.595 1.00 0.00 C ATOM 199 CE1 PHE A 84 -6.831 -3.150 1.034 1.00 0.00 C ATOM 200 CE2 PHE A 84 -6.889 -2.903 3.454 1.00 0.00 C ATOM 201 CZ PHE A 84 -6.835 -2.333 2.176 1.00 0.00 C ATOM 0 H PHE A 84 -7.100 -9.058 2.629 1.00 0.00 H new ATOM 0 HA PHE A 84 -5.668 -7.096 1.160 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -7.983 -6.947 1.994 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -7.374 -6.850 3.634 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.957 -5.173 0.296 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -6.974 -4.736 4.580 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.751 -2.708 0.052 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -6.880 -2.270 4.329 1.00 0.00 H new ATOM 0 HZ PHE A 84 -6.796 -1.259 2.068 1.00 0.00 H new ATOM 211 N TYR A 85 -4.533 -7.665 4.232 1.00 0.00 N ATOM 212 CA TYR A 85 -3.360 -7.434 5.073 1.00 0.00 C ATOM 213 C TYR A 85 -2.111 -8.075 4.473 1.00 0.00 C ATOM 214 O TYR A 85 -1.023 -7.510 4.625 1.00 0.00 O ATOM 215 CB TYR A 85 -3.569 -7.920 6.505 1.00 0.00 C ATOM 216 CG TYR A 85 -4.262 -6.886 7.357 1.00 0.00 C ATOM 217 CD1 TYR A 85 -3.636 -5.650 7.633 1.00 0.00 C ATOM 218 CD2 TYR A 85 -5.552 -7.144 7.836 1.00 0.00 C ATOM 219 CE1 TYR A 85 -4.286 -4.694 8.435 1.00 0.00 C ATOM 220 CE2 TYR A 85 -6.216 -6.180 8.604 1.00 0.00 C ATOM 221 CZ TYR A 85 -5.571 -4.970 8.948 1.00 0.00 C ATOM 222 OH TYR A 85 -6.188 -4.092 9.780 1.00 0.00 O ATOM 0 H TYR A 85 -5.229 -8.290 4.638 1.00 0.00 H new ATOM 0 HA TYR A 85 -3.214 -6.354 5.110 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.160 -8.836 6.494 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.604 -8.168 6.948 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.657 -5.439 7.228 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.034 -8.085 7.614 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -3.804 -3.754 8.657 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -7.228 -6.362 8.936 1.00 0.00 H new ATOM 0 HH TYR A 85 -6.220 -3.208 9.358 1.00 0.00 H new ATOM 232 N ASN A 86 -2.237 -9.224 3.800 1.00 0.00 N ATOM 233 CA ASN A 86 -1.122 -9.901 3.167 1.00 0.00 C ATOM 234 C ASN A 86 -0.554 -8.961 2.104 1.00 0.00 C ATOM 235 O ASN A 86 0.640 -8.654 2.104 1.00 0.00 O ATOM 236 CB ASN A 86 -1.605 -11.194 2.498 1.00 0.00 C ATOM 237 CG ASN A 86 -2.017 -12.324 3.425 1.00 0.00 C ATOM 238 OD1 ASN A 86 -1.714 -12.331 4.617 1.00 0.00 O ATOM 239 ND2 ASN A 86 -2.723 -13.297 2.881 1.00 0.00 N ATOM 0 H ASN A 86 -3.128 -9.707 3.684 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.363 -10.155 3.907 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.454 -10.951 1.859 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.810 -11.559 1.848 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.033 -14.083 3.452 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.959 -13.263 1.889 1.00 0.00 H new ATOM 246 N ARG A 87 -1.413 -8.485 1.201 1.00 0.00 N ATOM 247 CA ARG A 87 -1.051 -7.569 0.125 1.00 0.00 C ATOM 248 C ARG A 87 -0.543 -6.249 0.725 1.00 0.00 C ATOM 249 O ARG A 87 0.367 -5.653 0.161 1.00 0.00 O ATOM 250 CB ARG A 87 -2.254 -7.419 -0.819 1.00 0.00 C ATOM 251 CG ARG A 87 -2.729 -8.712 -1.503 1.00 0.00 C ATOM 252 CD ARG A 87 -1.757 -9.216 -2.570 1.00 0.00 C ATOM 253 NE ARG A 87 -2.350 -10.330 -3.322 1.00 0.00 N ATOM 254 CZ ARG A 87 -2.175 -11.642 -3.126 1.00 0.00 C ATOM 255 NH1 ARG A 87 -1.304 -12.112 -2.240 1.00 0.00 N ATOM 256 NH2 ARG A 87 -2.894 -12.485 -3.850 1.00 0.00 N ATOM 0 H ARG A 87 -2.402 -8.733 1.200 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.229 -7.955 -0.478 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.087 -7.002 -0.253 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.998 -6.694 -1.591 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.865 -9.487 -0.748 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.703 -8.538 -1.960 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.503 -8.404 -3.251 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.828 -9.540 -2.100 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.972 -10.071 -4.088 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.744 -11.466 -1.684 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.196 -13.119 -2.116 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.560 -12.129 -4.536 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.782 -13.491 -3.722 1.00 0.00 H new ATOM 270 N LEU A 88 -1.064 -5.784 1.867 1.00 0.00 N ATOM 271 CA LEU A 88 -0.552 -4.565 2.501 1.00 0.00 C ATOM 272 C LEU A 88 0.902 -4.784 2.890 1.00 0.00 C ATOM 273 O LEU A 88 1.754 -3.962 2.563 1.00 0.00 O ATOM 274 CB LEU A 88 -1.338 -4.151 3.761 1.00 0.00 C ATOM 275 CG LEU A 88 -2.482 -3.169 3.489 1.00 0.00 C ATOM 276 CD1 LEU A 88 -3.515 -3.211 4.621 1.00 0.00 C ATOM 277 CD2 LEU A 88 -1.867 -1.759 3.431 1.00 0.00 C ATOM 0 H LEU A 88 -1.833 -6.230 2.367 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.662 -3.762 1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.745 -5.045 4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.648 -3.700 4.475 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.983 -3.432 2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.318 -2.506 4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.927 -4.217 4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.035 -2.940 5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.652 -1.027 3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.386 -1.533 4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.128 -1.717 2.631 1.00 0.00 H new ATOM 289 N LYS A 89 1.180 -5.889 3.595 1.00 0.00 N ATOM 290 CA LYS A 89 2.515 -6.251 4.061 1.00 0.00 C ATOM 291 C LYS A 89 3.516 -6.179 2.914 1.00 0.00 C ATOM 292 O LYS A 89 4.580 -5.597 3.114 1.00 0.00 O ATOM 293 CB LYS A 89 2.492 -7.638 4.718 1.00 0.00 C ATOM 294 CG LYS A 89 3.699 -7.846 5.643 1.00 0.00 C ATOM 295 CD LYS A 89 3.701 -9.240 6.283 1.00 0.00 C ATOM 296 CE LYS A 89 4.049 -10.310 5.243 1.00 0.00 C ATOM 297 NZ LYS A 89 4.112 -11.660 5.825 1.00 0.00 N ATOM 0 H LYS A 89 0.465 -6.566 3.860 1.00 0.00 H new ATOM 0 HA LYS A 89 2.836 -5.536 4.818 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.571 -7.755 5.289 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.488 -8.407 3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.619 -7.707 5.075 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.690 -7.088 6.426 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.423 -9.270 7.099 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.722 -9.449 6.715 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.304 -10.295 4.447 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.009 -10.070 4.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 4.350 -12.348 5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.841 -11.685 6.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.189 -11.903 6.238 1.00 0.00 H new ATOM 311 N GLN A 90 3.157 -6.716 1.743 1.00 0.00 N ATOM 312 CA GLN A 90 3.986 -6.718 0.543 1.00 0.00 C ATOM 313 C GLN A 90 4.497 -5.293 0.285 1.00 0.00 C ATOM 314 O GLN A 90 5.708 -5.094 0.227 1.00 0.00 O ATOM 315 CB GLN A 90 3.174 -7.272 -0.647 1.00 0.00 C ATOM 316 CG GLN A 90 3.229 -8.796 -0.849 1.00 0.00 C ATOM 317 CD GLN A 90 4.226 -9.236 -1.921 1.00 0.00 C ATOM 318 OE1 GLN A 90 5.108 -10.060 -1.677 1.00 0.00 O ATOM 319 NE2 GLN A 90 4.117 -8.723 -3.135 1.00 0.00 N ATOM 0 H GLN A 90 2.256 -7.173 1.605 1.00 0.00 H new ATOM 0 HA GLN A 90 4.852 -7.367 0.675 1.00 0.00 H new ATOM 0 HB2 GLN A 90 2.132 -6.980 -0.518 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.529 -6.791 -1.559 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.492 -9.270 0.097 1.00 0.00 H new ATOM 0 HG3 GLN A 90 2.236 -9.154 -1.120 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.386 -8.041 -3.337 1.00 0.00 H new ATOM 0 HE22 GLN A 90 4.764 -9.010 -3.870 1.00 0.00 H new ATOM 328 N ILE A 91 3.598 -4.306 0.184 1.00 0.00 N ATOM 329 CA ILE A 91 3.930 -2.900 -0.063 1.00 0.00 C ATOM 330 C ILE A 91 4.862 -2.355 1.031 1.00 0.00 C ATOM 331 O ILE A 91 5.875 -1.720 0.735 1.00 0.00 O ATOM 332 CB ILE A 91 2.645 -2.026 -0.133 1.00 0.00 C ATOM 333 CG1 ILE A 91 1.591 -2.545 -1.140 1.00 0.00 C ATOM 334 CG2 ILE A 91 3.007 -0.567 -0.487 1.00 0.00 C ATOM 335 CD1 ILE A 91 0.194 -1.956 -0.896 1.00 0.00 C ATOM 0 H ILE A 91 2.595 -4.469 0.274 1.00 0.00 H new ATOM 0 HA ILE A 91 4.443 -2.851 -1.023 1.00 0.00 H new ATOM 0 HB ILE A 91 2.195 -2.082 0.858 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.912 -2.301 -2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.538 -3.632 -1.076 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.098 0.033 -0.532 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.671 -0.162 0.276 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.508 -0.541 -1.455 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.503 -2.356 -1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.143 -2.223 0.106 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.236 -0.871 -0.988 1.00 0.00 H new ATOM 347 N LYS A 92 4.531 -2.590 2.303 1.00 0.00 N ATOM 348 CA LYS A 92 5.324 -2.084 3.425 1.00 0.00 C ATOM 349 C LYS A 92 6.761 -2.569 3.360 1.00 0.00 C ATOM 350 O LYS A 92 7.697 -1.764 3.370 1.00 0.00 O ATOM 351 CB LYS A 92 4.651 -2.391 4.775 1.00 0.00 C ATOM 352 CG LYS A 92 3.162 -2.011 4.739 1.00 0.00 C ATOM 353 CD LYS A 92 2.602 -1.442 6.035 1.00 0.00 C ATOM 354 CE LYS A 92 1.268 -0.772 5.669 1.00 0.00 C ATOM 355 NZ LYS A 92 0.723 0.041 6.764 1.00 0.00 N ATOM 0 H LYS A 92 3.713 -3.132 2.582 1.00 0.00 H new ATOM 0 HA LYS A 92 5.364 -0.998 3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 92 4.755 -3.451 5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 92 5.153 -1.840 5.571 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.010 -1.279 3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.585 -2.896 4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.452 -2.230 6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 92 3.292 -0.721 6.474 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.411 -0.142 4.791 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.543 -1.539 5.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.176 0.469 6.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.559 -0.562 7.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.400 0.792 7.009 1.00 0.00 H new ATOM 1028 N SER B 160 3.931 9.348 -2.696 1.00 0.00 N ATOM 1029 CA SER B 160 5.017 8.382 -2.673 1.00 0.00 C ATOM 1030 C SER B 160 4.511 7.081 -3.313 1.00 0.00 C ATOM 1031 O SER B 160 3.299 6.854 -3.413 1.00 0.00 O ATOM 1032 CB SER B 160 5.499 8.183 -1.231 1.00 0.00 C ATOM 1033 OG SER B 160 4.428 7.967 -0.326 1.00 0.00 O ATOM 0 HA SER B 160 5.876 8.734 -3.245 1.00 0.00 H new ATOM 0 HB2 SER B 160 6.180 7.333 -1.193 1.00 0.00 H new ATOM 0 HB3 SER B 160 6.065 9.059 -0.916 1.00 0.00 H new ATOM 0 HG SER B 160 3.691 8.577 -0.540 1.00 0.00 H new ATOM 1039 N ALA B 161 5.414 6.204 -3.761 1.00 0.00 N ATOM 1040 CA ALA B 161 4.989 4.947 -4.374 1.00 0.00 C ATOM 1041 C ALA B 161 4.329 4.027 -3.347 1.00 0.00 C ATOM 1042 O ALA B 161 3.555 3.147 -3.729 1.00 0.00 O ATOM 1043 CB ALA B 161 6.171 4.256 -5.037 1.00 0.00 C ATOM 0 H ALA B 161 6.424 6.338 -3.712 1.00 0.00 H new ATOM 0 HA ALA B 161 4.247 5.176 -5.139 1.00 0.00 H new ATOM 0 HB1 ALA B 161 5.839 3.321 -5.489 1.00 0.00 H new ATOM 0 HB2 ALA B 161 6.586 4.905 -5.808 1.00 0.00 H new ATOM 0 HB3 ALA B 161 6.936 4.046 -4.289 1.00 0.00 H new ATOM 1049 N PHE B 162 4.645 4.198 -2.062 1.00 0.00 N ATOM 1050 CA PHE B 162 4.063 3.409 -0.992 1.00 0.00 C ATOM 1051 C PHE B 162 2.587 3.792 -0.939 1.00 0.00 C ATOM 1052 O PHE B 162 1.727 2.959 -1.216 1.00 0.00 O ATOM 1053 CB PHE B 162 4.789 3.696 0.334 1.00 0.00 C ATOM 1054 CG PHE B 162 4.400 2.840 1.535 1.00 0.00 C ATOM 1055 CD1 PHE B 162 3.061 2.732 1.975 1.00 0.00 C ATOM 1056 CD2 PHE B 162 5.414 2.209 2.282 1.00 0.00 C ATOM 1057 CE1 PHE B 162 2.753 2.019 3.147 1.00 0.00 C ATOM 1058 CE2 PHE B 162 5.100 1.498 3.453 1.00 0.00 C ATOM 1059 CZ PHE B 162 3.770 1.405 3.883 1.00 0.00 C ATOM 0 H PHE B 162 5.317 4.894 -1.740 1.00 0.00 H new ATOM 0 HA PHE B 162 4.166 2.338 -1.166 1.00 0.00 H new ATOM 0 HB2 PHE B 162 5.860 3.578 0.167 1.00 0.00 H new ATOM 0 HB3 PHE B 162 4.620 4.741 0.594 1.00 0.00 H new ATOM 0 HD1 PHE B 162 2.270 3.200 1.408 1.00 0.00 H new ATOM 0 HD2 PHE B 162 6.441 2.272 1.952 1.00 0.00 H new ATOM 0 HE1 PHE B 162 1.728 1.946 3.479 1.00 0.00 H new ATOM 0 HE2 PHE B 162 5.885 1.023 4.022 1.00 0.00 H new ATOM 0 HZ PHE B 162 3.531 0.859 4.783 1.00 0.00 H new ATOM 1069 N ASP B 163 2.297 5.061 -0.629 1.00 0.00 N ATOM 1070 CA ASP B 163 0.933 5.570 -0.518 1.00 0.00 C ATOM 1071 C ASP B 163 0.125 5.296 -1.777 1.00 0.00 C ATOM 1072 O ASP B 163 -1.058 4.978 -1.667 1.00 0.00 O ATOM 1073 CB ASP B 163 0.904 7.075 -0.220 1.00 0.00 C ATOM 1074 CG ASP B 163 0.791 7.430 1.258 1.00 0.00 C ATOM 1075 OD1 ASP B 163 0.963 6.553 2.138 1.00 0.00 O ATOM 1076 OD2 ASP B 163 0.427 8.593 1.550 1.00 0.00 O ATOM 0 H ASP B 163 3.011 5.766 -0.447 1.00 0.00 H new ATOM 0 HA ASP B 163 0.480 5.037 0.318 1.00 0.00 H new ATOM 0 HB2 ASP B 163 1.811 7.528 -0.620 1.00 0.00 H new ATOM 0 HB3 ASP B 163 0.063 7.521 -0.752 1.00 0.00 H new ATOM 1081 N LEU B 164 0.740 5.406 -2.960 1.00 0.00 N ATOM 1082 CA LEU B 164 0.078 5.151 -4.233 1.00 0.00 C ATOM 1083 C LEU B 164 -0.519 3.754 -4.233 1.00 0.00 C ATOM 1084 O LEU B 164 -1.712 3.592 -4.513 1.00 0.00 O ATOM 1085 CB LEU B 164 1.081 5.270 -5.388 1.00 0.00 C ATOM 1086 CG LEU B 164 0.501 4.785 -6.731 1.00 0.00 C ATOM 1087 CD1 LEU B 164 -0.648 5.676 -7.217 1.00 0.00 C ATOM 1088 CD2 LEU B 164 1.613 4.760 -7.762 1.00 0.00 C ATOM 0 H LEU B 164 1.719 5.677 -3.056 1.00 0.00 H new ATOM 0 HA LEU B 164 -0.713 5.889 -4.367 1.00 0.00 H new ATOM 0 HB2 LEU B 164 1.394 6.309 -5.486 1.00 0.00 H new ATOM 0 HB3 LEU B 164 1.973 4.689 -5.151 1.00 0.00 H new ATOM 0 HG LEU B 164 0.092 3.785 -6.588 1.00 0.00 H new ATOM 0 HD11 LEU B 164 -1.026 5.297 -8.166 1.00 0.00 H new ATOM 0 HD12 LEU B 164 -1.450 5.670 -6.479 1.00 0.00 H new ATOM 0 HD13 LEU B 164 -0.286 6.695 -7.352 1.00 0.00 H new ATOM 0 HD21 LEU B 164 1.215 4.418 -8.718 1.00 0.00 H new ATOM 0 HD22 LEU B 164 2.024 5.763 -7.878 1.00 0.00 H new ATOM 0 HD23 LEU B 164 2.399 4.081 -7.433 1.00 0.00 H new ATOM 1100 N ASP B 165 0.318 2.747 -3.973 1.00 0.00 N ATOM 1101 CA ASP B 165 -0.155 1.376 -3.959 1.00 0.00 C ATOM 1102 C ASP B 165 -1.183 1.204 -2.841 1.00 0.00 C ATOM 1103 O ASP B 165 -2.157 0.465 -3.002 1.00 0.00 O ATOM 1104 CB ASP B 165 0.995 0.375 -3.918 1.00 0.00 C ATOM 1105 CG ASP B 165 0.564 -0.899 -4.658 1.00 0.00 C ATOM 1106 OD1 ASP B 165 0.710 -0.939 -5.906 1.00 0.00 O ATOM 1107 OD2 ASP B 165 0.060 -1.869 -4.050 1.00 0.00 O ATOM 0 H ASP B 165 1.312 2.860 -3.773 1.00 0.00 H new ATOM 0 HA ASP B 165 -0.665 1.155 -4.896 1.00 0.00 H new ATOM 0 HB2 ASP B 165 1.884 0.801 -4.384 1.00 0.00 H new ATOM 0 HB3 ASP B 165 1.257 0.142 -2.886 1.00 0.00 H new ATOM 1112 N VAL B 166 -1.050 1.959 -1.739 1.00 0.00 N ATOM 1113 CA VAL B 166 -1.999 1.905 -0.633 1.00 0.00 C ATOM 1114 C VAL B 166 -3.377 2.477 -1.048 1.00 0.00 C ATOM 1115 O VAL B 166 -4.367 2.248 -0.359 1.00 0.00 O ATOM 1116 CB VAL B 166 -1.421 2.383 0.706 1.00 0.00 C ATOM 1117 CG1 VAL B 166 -2.474 2.169 1.795 1.00 0.00 C ATOM 1118 CG2 VAL B 166 -0.228 1.506 1.112 1.00 0.00 C ATOM 0 H VAL B 166 -0.284 2.618 -1.597 1.00 0.00 H new ATOM 0 HA VAL B 166 -2.200 0.857 -0.408 1.00 0.00 H new ATOM 0 HB VAL B 166 -1.127 3.427 0.600 1.00 0.00 H new ATOM 0 HG11 VAL B 166 -2.079 2.504 2.754 1.00 0.00 H new ATOM 0 HG12 VAL B 166 -3.370 2.740 1.552 1.00 0.00 H new ATOM 0 HG13 VAL B 166 -2.725 1.110 1.856 1.00 0.00 H new ATOM 0 HG21 VAL B 166 0.173 1.855 2.063 1.00 0.00 H new ATOM 0 HG22 VAL B 166 -0.555 0.471 1.214 1.00 0.00 H new ATOM 0 HG23 VAL B 166 0.546 1.568 0.347 1.00 0.00 H new ATOM 1128 N VAL B 167 -3.525 3.089 -2.219 1.00 0.00 N ATOM 1129 CA VAL B 167 -4.827 3.545 -2.711 1.00 0.00 C ATOM 1130 C VAL B 167 -5.238 2.536 -3.795 1.00 0.00 C ATOM 1131 O VAL B 167 -6.382 2.087 -3.824 1.00 0.00 O ATOM 1132 CB VAL B 167 -4.824 5.008 -3.193 1.00 0.00 C ATOM 1133 CG1 VAL B 167 -6.238 5.484 -3.554 1.00 0.00 C ATOM 1134 CG2 VAL B 167 -4.361 5.933 -2.077 1.00 0.00 C ATOM 0 H VAL B 167 -2.751 3.284 -2.854 1.00 0.00 H new ATOM 0 HA VAL B 167 -5.562 3.566 -1.906 1.00 0.00 H new ATOM 0 HB VAL B 167 -4.163 5.042 -4.059 1.00 0.00 H new ATOM 0 HG11 VAL B 167 -6.198 6.520 -3.890 1.00 0.00 H new ATOM 0 HG12 VAL B 167 -6.640 4.859 -4.352 1.00 0.00 H new ATOM 0 HG13 VAL B 167 -6.881 5.411 -2.677 1.00 0.00 H new ATOM 0 HG21 VAL B 167 -4.364 6.963 -2.433 1.00 0.00 H new ATOM 0 HG22 VAL B 167 -5.035 5.841 -1.225 1.00 0.00 H new ATOM 0 HG23 VAL B 167 -3.351 5.658 -1.772 1.00 0.00 H new ATOM 1144 N LYS B 168 -4.307 2.125 -4.671 1.00 0.00 N ATOM 1145 CA LYS B 168 -4.540 1.185 -5.771 1.00 0.00 C ATOM 1146 C LYS B 168 -5.021 -0.198 -5.315 1.00 0.00 C ATOM 1147 O LYS B 168 -5.994 -0.680 -5.901 1.00 0.00 O ATOM 1148 CB LYS B 168 -3.275 1.096 -6.646 1.00 0.00 C ATOM 1149 CG LYS B 168 -3.272 2.105 -7.809 1.00 0.00 C ATOM 1150 CD LYS B 168 -2.065 1.871 -8.726 1.00 0.00 C ATOM 1151 CE LYS B 168 -2.162 2.751 -9.979 1.00 0.00 C ATOM 1152 NZ LYS B 168 -1.117 2.422 -10.971 1.00 0.00 N ATOM 0 H LYS B 168 -3.341 2.450 -4.629 1.00 0.00 H new ATOM 0 HA LYS B 168 -5.365 1.579 -6.365 1.00 0.00 H new ATOM 0 HB2 LYS B 168 -2.397 1.266 -6.023 1.00 0.00 H new ATOM 0 HB3 LYS B 168 -3.189 0.087 -7.048 1.00 0.00 H new ATOM 0 HG2 LYS B 168 -4.194 2.010 -8.382 1.00 0.00 H new ATOM 0 HG3 LYS B 168 -3.245 3.121 -7.416 1.00 0.00 H new ATOM 0 HD2 LYS B 168 -1.144 2.095 -8.188 1.00 0.00 H new ATOM 0 HD3 LYS B 168 -2.019 0.821 -9.015 1.00 0.00 H new ATOM 0 HE2 LYS B 168 -3.145 2.627 -10.434 1.00 0.00 H new ATOM 0 HE3 LYS B 168 -2.073 3.799 -9.693 1.00 0.00 H new ATOM 0 HZ1 LYS B 168 -1.220 3.040 -11.801 1.00 0.00 H new ATOM 0 HZ2 LYS B 168 -0.178 2.565 -10.547 1.00 0.00 H new ATOM 0 HZ3 LYS B 168 -1.217 1.429 -11.264 1.00 0.00 H new ATOM 1166 N LEU B 169 -4.380 -0.850 -4.339 1.00 0.00 N ATOM 1167 CA LEU B 169 -4.776 -2.182 -3.850 1.00 0.00 C ATOM 1168 C LEU B 169 -6.234 -2.118 -3.377 1.00 0.00 C ATOM 1169 O LEU B 169 -7.072 -2.853 -3.899 1.00 0.00 O ATOM 1170 CB LEU B 169 -3.846 -2.640 -2.711 1.00 0.00 C ATOM 1171 CG LEU B 169 -3.642 -4.120 -2.390 1.00 0.00 C ATOM 1172 CD1 LEU B 169 -2.711 -4.167 -1.159 1.00 0.00 C ATOM 1173 CD2 LEU B 169 -4.965 -4.811 -2.067 1.00 0.00 C ATOM 0 H LEU B 169 -3.565 -0.468 -3.860 1.00 0.00 H new ATOM 0 HA LEU B 169 -4.689 -2.911 -4.655 1.00 0.00 H new ATOM 0 HB2 LEU B 169 -2.861 -2.223 -2.920 1.00 0.00 H new ATOM 0 HB3 LEU B 169 -4.206 -2.165 -1.798 1.00 0.00 H new ATOM 0 HG LEU B 169 -3.216 -4.641 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU B 169 -2.528 -5.205 -0.881 1.00 0.00 H new ATOM 0 HD12 LEU B 169 -1.764 -3.683 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU B 169 -3.183 -3.646 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU B 169 -4.782 -5.862 -1.844 1.00 0.00 H new ATOM 0 HD22 LEU B 169 -5.425 -4.331 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU B 169 -5.635 -4.734 -2.924 1.00 0.00 H new ATOM 1185 N THR B 170 -6.549 -1.209 -2.443 1.00 0.00 N ATOM 1186 CA THR B 170 -7.881 -1.012 -1.901 1.00 0.00 C ATOM 1187 C THR B 170 -8.844 -0.757 -3.053 1.00 0.00 C ATOM 1188 O THR B 170 -9.851 -1.454 -3.130 1.00 0.00 O ATOM 1189 CB THR B 170 -7.901 0.131 -0.861 1.00 0.00 C ATOM 1190 OG1 THR B 170 -6.780 0.064 -0.012 1.00 0.00 O ATOM 1191 CG2 THR B 170 -9.136 0.062 0.040 1.00 0.00 C ATOM 0 H THR B 170 -5.857 -0.578 -2.039 1.00 0.00 H new ATOM 0 HA THR B 170 -8.198 -1.909 -1.369 1.00 0.00 H new ATOM 0 HB THR B 170 -7.903 1.056 -1.438 1.00 0.00 H new ATOM 0 HG1 THR B 170 -6.728 -0.828 0.391 1.00 0.00 H new ATOM 0 HG21 THR B 170 -9.110 0.883 0.756 1.00 0.00 H new ATOM 0 HG22 THR B 170 -10.036 0.140 -0.570 1.00 0.00 H new ATOM 0 HG23 THR B 170 -9.143 -0.887 0.576 1.00 0.00 H new ATOM 1199 N ALA B 171 -8.524 0.171 -3.967 1.00 0.00 N ATOM 1200 CA ALA B 171 -9.394 0.485 -5.105 1.00 0.00 C ATOM 1201 C ALA B 171 -9.706 -0.753 -5.968 1.00 0.00 C ATOM 1202 O ALA B 171 -10.794 -0.843 -6.534 1.00 0.00 O ATOM 1203 CB ALA B 171 -8.784 1.613 -5.943 1.00 0.00 C ATOM 0 H ALA B 171 -7.664 0.719 -3.938 1.00 0.00 H new ATOM 0 HA ALA B 171 -10.349 0.825 -4.704 1.00 0.00 H new ATOM 0 HB1 ALA B 171 -9.440 1.836 -6.785 1.00 0.00 H new ATOM 0 HB2 ALA B 171 -8.670 2.504 -5.326 1.00 0.00 H new ATOM 0 HB3 ALA B 171 -7.808 1.302 -6.316 1.00 0.00 H new ATOM 1209 N GLN B 172 -8.784 -1.711 -6.086 1.00 0.00 N ATOM 1210 CA GLN B 172 -9.014 -2.927 -6.858 1.00 0.00 C ATOM 1211 C GLN B 172 -9.954 -3.855 -6.083 1.00 0.00 C ATOM 1212 O GLN B 172 -10.921 -4.349 -6.664 1.00 0.00 O ATOM 1213 CB GLN B 172 -7.685 -3.652 -7.148 1.00 0.00 C ATOM 1214 CG GLN B 172 -7.215 -3.476 -8.598 1.00 0.00 C ATOM 1215 CD GLN B 172 -7.827 -4.434 -9.623 1.00 0.00 C ATOM 1216 OE1 GLN B 172 -7.167 -4.775 -10.601 1.00 0.00 O ATOM 1217 NE2 GLN B 172 -9.066 -4.878 -9.468 1.00 0.00 N ATOM 0 H GLN B 172 -7.863 -1.663 -5.650 1.00 0.00 H new ATOM 0 HA GLN B 172 -9.470 -2.654 -7.810 1.00 0.00 H new ATOM 0 HB2 GLN B 172 -6.916 -3.275 -6.474 1.00 0.00 H new ATOM 0 HB3 GLN B 172 -7.802 -4.715 -6.935 1.00 0.00 H new ATOM 0 HG2 GLN B 172 -7.435 -2.455 -8.909 1.00 0.00 H new ATOM 0 HG3 GLN B 172 -6.131 -3.591 -8.624 1.00 0.00 H new ATOM 0 HE21 GLN B 172 -9.612 -4.593 -8.655 1.00 0.00 H new ATOM 0 HE22 GLN B 172 -9.474 -5.505 -10.162 1.00 0.00 H new ATOM 1226 N PHE B 173 -9.671 -4.090 -4.797 1.00 0.00 N ATOM 1227 CA PHE B 173 -10.469 -4.963 -3.940 1.00 0.00 C ATOM 1228 C PHE B 173 -11.901 -4.441 -3.791 1.00 0.00 C ATOM 1229 O PHE B 173 -12.838 -5.225 -3.888 1.00 0.00 O ATOM 1230 CB PHE B 173 -9.799 -5.157 -2.565 1.00 0.00 C ATOM 1231 CG PHE B 173 -8.741 -6.254 -2.450 1.00 0.00 C ATOM 1232 CD1 PHE B 173 -7.767 -6.445 -3.450 1.00 0.00 C ATOM 1233 CD2 PHE B 173 -8.707 -7.079 -1.304 1.00 0.00 C ATOM 1234 CE1 PHE B 173 -6.778 -7.437 -3.303 1.00 0.00 C ATOM 1235 CE2 PHE B 173 -7.712 -8.062 -1.151 1.00 0.00 C ATOM 1236 CZ PHE B 173 -6.738 -8.236 -2.149 1.00 0.00 C ATOM 0 H PHE B 173 -8.872 -3.673 -4.320 1.00 0.00 H new ATOM 0 HA PHE B 173 -10.524 -5.939 -4.423 1.00 0.00 H new ATOM 0 HB2 PHE B 173 -9.338 -4.212 -2.278 1.00 0.00 H new ATOM 0 HB3 PHE B 173 -10.581 -5.365 -1.835 1.00 0.00 H new ATOM 0 HD1 PHE B 173 -7.779 -5.827 -4.335 1.00 0.00 H new ATOM 0 HD2 PHE B 173 -9.455 -6.954 -0.535 1.00 0.00 H new ATOM 0 HE1 PHE B 173 -6.046 -7.584 -4.083 1.00 0.00 H new ATOM 0 HE2 PHE B 173 -7.697 -8.682 -0.267 1.00 0.00 H new ATOM 0 HZ PHE B 173 -5.964 -8.979 -2.029 1.00 0.00 H new ATOM 1246 N VAL B 174 -12.114 -3.138 -3.582 1.00 0.00 N ATOM 1247 CA VAL B 174 -13.459 -2.567 -3.425 1.00 0.00 C ATOM 1248 C VAL B 174 -14.287 -2.740 -4.707 1.00 0.00 C ATOM 1249 O VAL B 174 -15.506 -2.859 -4.637 1.00 0.00 O ATOM 1250 CB VAL B 174 -13.377 -1.087 -2.989 1.00 0.00 C ATOM 1251 CG1 VAL B 174 -12.647 -0.919 -1.646 1.00 0.00 C ATOM 1252 CG2 VAL B 174 -12.734 -0.203 -4.043 1.00 0.00 C ATOM 0 H VAL B 174 -11.363 -2.450 -3.517 1.00 0.00 H new ATOM 0 HA VAL B 174 -13.973 -3.114 -2.635 1.00 0.00 H new ATOM 0 HB VAL B 174 -14.410 -0.761 -2.863 1.00 0.00 H new ATOM 0 HG11 VAL B 174 -12.613 0.137 -1.380 1.00 0.00 H new ATOM 0 HG12 VAL B 174 -13.178 -1.472 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL B 174 -11.631 -1.303 -1.734 1.00 0.00 H new ATOM 0 HG21 VAL B 174 -12.702 0.826 -3.685 1.00 0.00 H new ATOM 0 HG22 VAL B 174 -11.720 -0.550 -4.240 1.00 0.00 H new ATOM 0 HG23 VAL B 174 -13.318 -0.249 -4.962 1.00 0.00 H new ATOM 1262 N ALA B 175 -13.654 -2.758 -5.884 1.00 0.00 N ATOM 1263 CA ALA B 175 -14.361 -2.945 -7.139 1.00 0.00 C ATOM 1264 C ALA B 175 -14.745 -4.420 -7.287 1.00 0.00 C ATOM 1265 O ALA B 175 -15.907 -4.742 -7.543 1.00 0.00 O ATOM 1266 CB ALA B 175 -13.473 -2.497 -8.298 1.00 0.00 C ATOM 0 H ALA B 175 -12.646 -2.644 -5.986 1.00 0.00 H new ATOM 0 HA ALA B 175 -15.270 -2.343 -7.148 1.00 0.00 H new ATOM 0 HB1 ALA B 175 -14.005 -2.638 -9.239 1.00 0.00 H new ATOM 0 HB2 ALA B 175 -13.221 -1.443 -8.177 1.00 0.00 H new ATOM 0 HB3 ALA B 175 -12.558 -3.090 -8.306 1.00 0.00 H new ATOM 1272 N ARG B 176 -13.767 -5.313 -7.114 1.00 0.00 N ATOM 1273 CA ARG B 176 -13.935 -6.758 -7.228 1.00 0.00 C ATOM 1274 C ARG B 176 -14.904 -7.299 -6.183 1.00 0.00 C ATOM 1275 O ARG B 176 -15.924 -7.884 -6.544 1.00 0.00 O ATOM 1276 CB ARG B 176 -12.576 -7.443 -7.081 1.00 0.00 C ATOM 1277 CG ARG B 176 -11.696 -7.254 -8.323 1.00 0.00 C ATOM 1278 CD ARG B 176 -10.307 -7.844 -8.073 1.00 0.00 C ATOM 1279 NE ARG B 176 -10.326 -9.315 -8.030 1.00 0.00 N ATOM 1280 CZ ARG B 176 -9.820 -10.164 -8.930 1.00 0.00 C ATOM 1281 NH1 ARG B 176 -9.288 -9.726 -10.069 1.00 0.00 N ATOM 1282 NH2 ARG B 176 -9.856 -11.464 -8.667 1.00 0.00 N ATOM 0 H ARG B 176 -12.811 -5.040 -6.885 1.00 0.00 H new ATOM 0 HA ARG B 176 -14.356 -6.972 -8.210 1.00 0.00 H new ATOM 0 HB2 ARG B 176 -12.061 -7.042 -6.208 1.00 0.00 H new ATOM 0 HB3 ARG B 176 -12.725 -8.508 -6.902 1.00 0.00 H new ATOM 0 HG2 ARG B 176 -12.157 -7.739 -9.183 1.00 0.00 H new ATOM 0 HG3 ARG B 176 -11.612 -6.194 -8.562 1.00 0.00 H new ATOM 0 HD2 ARG B 176 -9.627 -7.514 -8.859 1.00 0.00 H new ATOM 0 HD3 ARG B 176 -9.915 -7.460 -7.131 1.00 0.00 H new ATOM 0 HE ARG B 176 -10.778 -9.736 -7.218 1.00 0.00 H new ATOM 0 HH11 ARG B 176 -9.261 -8.726 -10.268 1.00 0.00 H new ATOM 0 HH12 ARG B 176 -8.907 -10.390 -10.743 1.00 0.00 H new ATOM 0 HH21 ARG B 176 -10.264 -11.796 -7.793 1.00 0.00 H new ATOM 0 HH22 ARG B 176 -9.476 -12.131 -9.339 1.00 0.00 H new ATOM 1296 N ASN B 177 -14.567 -7.142 -4.903 1.00 0.00 N ATOM 1297 CA ASN B 177 -15.363 -7.609 -3.776 1.00 0.00 C ATOM 1298 C ASN B 177 -16.691 -6.857 -3.801 1.00 0.00 C ATOM 1299 O ASN B 177 -17.752 -7.469 -3.950 1.00 0.00 O ATOM 1300 CB ASN B 177 -14.611 -7.427 -2.439 1.00 0.00 C ATOM 1301 CG ASN B 177 -13.254 -8.127 -2.368 1.00 0.00 C ATOM 1302 OD1 ASN B 177 -12.959 -9.088 -3.076 1.00 0.00 O ATOM 1303 ND2 ASN B 177 -12.354 -7.648 -1.527 1.00 0.00 N ATOM 0 H ASN B 177 -13.708 -6.673 -4.617 1.00 0.00 H new ATOM 0 HA ASN B 177 -15.551 -8.679 -3.863 1.00 0.00 H new ATOM 0 HB2 ASN B 177 -14.464 -6.361 -2.263 1.00 0.00 H new ATOM 0 HB3 ASN B 177 -15.240 -7.800 -1.631 1.00 0.00 H new ATOM 0 HD21 ASN B 177 -11.429 -8.075 -1.472 1.00 0.00 H new ATOM 0 HD22 ASN B 177 -12.584 -6.851 -0.933 1.00 0.00 H new ATOM 1310 N GLY B 178 -16.637 -5.526 -3.701 1.00 0.00 N ATOM 1311 CA GLY B 178 -17.792 -4.643 -3.723 1.00 0.00 C ATOM 1312 C GLY B 178 -17.674 -3.505 -2.712 1.00 0.00 C ATOM 1313 O GLY B 178 -16.821 -3.529 -1.823 1.00 0.00 O ATOM 0 H GLY B 178 -15.756 -5.023 -3.599 1.00 0.00 H new ATOM 0 HA2 GLY B 178 -17.908 -4.226 -4.723 1.00 0.00 H new ATOM 0 HA3 GLY B 178 -18.692 -5.221 -3.512 1.00 0.00 H new ATOM 1317 N ARG B 179 -18.560 -2.509 -2.822 1.00 0.00 N ATOM 1318 CA ARG B 179 -18.621 -1.343 -1.936 1.00 0.00 C ATOM 1319 C ARG B 179 -18.739 -1.771 -0.498 1.00 0.00 C ATOM 1320 O ARG B 179 -18.146 -1.130 0.364 1.00 0.00 O ATOM 1321 CB ARG B 179 -19.849 -0.494 -2.298 1.00 0.00 C ATOM 1322 CG ARG B 179 -19.853 0.897 -1.648 1.00 0.00 C ATOM 1323 CD ARG B 179 -20.377 1.078 -0.219 1.00 0.00 C ATOM 1324 NE ARG B 179 -21.842 0.992 -0.151 1.00 0.00 N ATOM 1325 CZ ARG B 179 -22.559 0.714 0.938 1.00 0.00 C ATOM 1326 NH1 ARG B 179 -21.977 0.562 2.121 1.00 0.00 N ATOM 1327 NH2 ARG B 179 -23.872 0.598 0.820 1.00 0.00 N ATOM 0 H ARG B 179 -19.274 -2.492 -3.550 1.00 0.00 H new ATOM 0 HA ARG B 179 -17.705 -0.766 -2.062 1.00 0.00 H new ATOM 0 HB2 ARG B 179 -19.893 -0.379 -3.381 1.00 0.00 H new ATOM 0 HB3 ARG B 179 -20.750 -1.028 -1.997 1.00 0.00 H new ATOM 0 HG2 ARG B 179 -18.827 1.265 -1.665 1.00 0.00 H new ATOM 0 HG3 ARG B 179 -20.438 1.553 -2.292 1.00 0.00 H new ATOM 0 HD2 ARG B 179 -19.940 0.316 0.426 1.00 0.00 H new ATOM 0 HD3 ARG B 179 -20.053 2.045 0.165 1.00 0.00 H new ATOM 0 HE ARG B 179 -22.357 1.160 -1.015 1.00 0.00 H new ATOM 0 HH11 ARG B 179 -20.965 0.658 2.208 1.00 0.00 H new ATOM 0 HH12 ARG B 179 -22.542 0.350 2.944 1.00 0.00 H new ATOM 0 HH21 ARG B 179 -24.315 0.721 -0.090 1.00 0.00 H new ATOM 0 HH22 ARG B 179 -24.441 0.386 1.640 1.00 0.00 H new ATOM 1341 N GLN B 180 -19.471 -2.849 -0.242 1.00 0.00 N ATOM 1342 CA GLN B 180 -19.666 -3.348 1.096 1.00 0.00 C ATOM 1343 C GLN B 180 -18.308 -3.467 1.811 1.00 0.00 C ATOM 1344 O GLN B 180 -18.165 -2.912 2.901 1.00 0.00 O ATOM 1345 CB GLN B 180 -20.433 -4.671 0.990 1.00 0.00 C ATOM 1346 CG GLN B 180 -20.822 -5.312 2.325 1.00 0.00 C ATOM 1347 CD GLN B 180 -21.546 -6.628 2.057 1.00 0.00 C ATOM 1348 OE1 GLN B 180 -22.772 -6.702 2.009 1.00 0.00 O ATOM 1349 NE2 GLN B 180 -20.799 -7.684 1.809 1.00 0.00 N ATOM 0 H GLN B 180 -19.942 -3.395 -0.963 1.00 0.00 H new ATOM 0 HA GLN B 180 -20.259 -2.667 1.707 1.00 0.00 H new ATOM 0 HB2 GLN B 180 -21.340 -4.500 0.410 1.00 0.00 H new ATOM 0 HB3 GLN B 180 -19.825 -5.380 0.429 1.00 0.00 H new ATOM 0 HG2 GLN B 180 -19.933 -5.489 2.930 1.00 0.00 H new ATOM 0 HG3 GLN B 180 -21.465 -4.638 2.892 1.00 0.00 H new ATOM 0 HE21 GLN B 180 -19.783 -7.611 1.852 1.00 0.00 H new ATOM 0 HE22 GLN B 180 -21.237 -8.575 1.574 1.00 0.00 H new ATOM 1358 N PHE B 181 -17.315 -4.120 1.182 1.00 0.00 N ATOM 1359 CA PHE B 181 -15.952 -4.320 1.693 1.00 0.00 C ATOM 1360 C PHE B 181 -15.318 -2.975 2.068 1.00 0.00 C ATOM 1361 O PHE B 181 -14.657 -2.877 3.102 1.00 0.00 O ATOM 1362 CB PHE B 181 -15.113 -5.069 0.629 1.00 0.00 C ATOM 1363 CG PHE B 181 -13.602 -5.099 0.818 1.00 0.00 C ATOM 1364 CD1 PHE B 181 -12.820 -4.058 0.287 1.00 0.00 C ATOM 1365 CD2 PHE B 181 -12.960 -6.177 1.454 1.00 0.00 C ATOM 1366 CE1 PHE B 181 -11.421 -4.068 0.417 1.00 0.00 C ATOM 1367 CE2 PHE B 181 -11.558 -6.199 1.575 1.00 0.00 C ATOM 1368 CZ PHE B 181 -10.789 -5.139 1.068 1.00 0.00 C ATOM 0 H PHE B 181 -17.449 -4.541 0.263 1.00 0.00 H new ATOM 0 HA PHE B 181 -15.984 -4.926 2.598 1.00 0.00 H new ATOM 0 HB2 PHE B 181 -15.467 -6.099 0.586 1.00 0.00 H new ATOM 0 HB3 PHE B 181 -15.322 -4.619 -0.342 1.00 0.00 H new ATOM 0 HD1 PHE B 181 -13.301 -3.240 -0.228 1.00 0.00 H new ATOM 0 HD2 PHE B 181 -13.546 -6.992 1.852 1.00 0.00 H new ATOM 0 HE1 PHE B 181 -10.834 -3.254 0.017 1.00 0.00 H new ATOM 0 HE2 PHE B 181 -11.072 -7.033 2.059 1.00 0.00 H new ATOM 0 HZ PHE B 181 -9.715 -5.148 1.179 1.00 0.00 H new ATOM 1378 N LEU B 182 -15.502 -1.952 1.223 1.00 0.00 N ATOM 1379 CA LEU B 182 -14.981 -0.603 1.432 1.00 0.00 C ATOM 1380 C LEU B 182 -15.520 -0.062 2.752 1.00 0.00 C ATOM 1381 O LEU B 182 -14.748 0.346 3.615 1.00 0.00 O ATOM 1382 CB LEU B 182 -15.411 0.335 0.275 1.00 0.00 C ATOM 1383 CG LEU B 182 -14.606 1.640 0.102 1.00 0.00 C ATOM 1384 CD1 LEU B 182 -15.328 2.530 -0.914 1.00 0.00 C ATOM 1385 CD2 LEU B 182 -14.383 2.449 1.379 1.00 0.00 C ATOM 0 H LEU B 182 -16.030 -2.046 0.356 1.00 0.00 H new ATOM 0 HA LEU B 182 -13.892 -0.643 1.458 1.00 0.00 H new ATOM 0 HB2 LEU B 182 -15.352 -0.227 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU B 182 -16.458 0.599 0.423 1.00 0.00 H new ATOM 0 HG LEU B 182 -13.615 1.330 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU B 182 -14.770 3.457 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU B 182 -15.398 2.009 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU B 182 -16.330 2.758 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU B 182 -13.808 3.345 1.146 1.00 0.00 H new ATOM 0 HD22 LEU B 182 -15.346 2.736 1.801 1.00 0.00 H new ATOM 0 HD23 LEU B 182 -13.836 1.844 2.102 1.00 0.00 H new ATOM 1397 N THR B 183 -16.840 -0.047 2.912 1.00 0.00 N ATOM 1398 CA THR B 183 -17.452 0.483 4.117 1.00 0.00 C ATOM 1399 C THR B 183 -17.013 -0.296 5.354 1.00 0.00 C ATOM 1400 O THR B 183 -16.723 0.333 6.371 1.00 0.00 O ATOM 1401 CB THR B 183 -18.969 0.488 3.916 1.00 0.00 C ATOM 1402 OG1 THR B 183 -19.285 1.261 2.768 1.00 0.00 O ATOM 1403 CG2 THR B 183 -19.723 1.072 5.108 1.00 0.00 C ATOM 0 H THR B 183 -17.503 -0.397 2.220 1.00 0.00 H new ATOM 0 HA THR B 183 -17.121 1.506 4.294 1.00 0.00 H new ATOM 0 HB THR B 183 -19.278 -0.551 3.800 1.00 0.00 H new ATOM 0 HG1 THR B 183 -19.867 2.006 3.026 1.00 0.00 H new ATOM 0 HG21 THR B 183 -20.794 1.049 4.908 1.00 0.00 H new ATOM 0 HG22 THR B 183 -19.508 0.482 5.999 1.00 0.00 H new ATOM 0 HG23 THR B 183 -19.406 2.102 5.270 1.00 0.00 H new ATOM 1411 N GLN B 184 -16.937 -1.629 5.287 1.00 0.00 N ATOM 1412 CA GLN B 184 -16.511 -2.420 6.436 1.00 0.00 C ATOM 1413 C GLN B 184 -15.112 -1.955 6.868 1.00 0.00 C ATOM 1414 O GLN B 184 -14.888 -1.697 8.052 1.00 0.00 O ATOM 1415 CB GLN B 184 -16.584 -3.917 6.119 1.00 0.00 C ATOM 1416 CG GLN B 184 -18.013 -4.398 5.827 1.00 0.00 C ATOM 1417 CD GLN B 184 -18.192 -5.895 6.067 1.00 0.00 C ATOM 1418 OE1 GLN B 184 -18.982 -6.350 6.898 1.00 0.00 O ATOM 1419 NE2 GLN B 184 -17.500 -6.722 5.303 1.00 0.00 N ATOM 0 H GLN B 184 -17.163 -2.175 4.456 1.00 0.00 H new ATOM 0 HA GLN B 184 -17.185 -2.264 7.278 1.00 0.00 H new ATOM 0 HB2 GLN B 184 -15.951 -4.132 5.258 1.00 0.00 H new ATOM 0 HB3 GLN B 184 -16.181 -4.481 6.960 1.00 0.00 H new ATOM 0 HG2 GLN B 184 -18.713 -3.847 6.456 1.00 0.00 H new ATOM 0 HG3 GLN B 184 -18.265 -4.168 4.792 1.00 0.00 H new ATOM 0 HE21 GLN B 184 -16.845 -6.352 4.614 1.00 0.00 H new ATOM 0 HE22 GLN B 184 -17.621 -7.730 5.402 1.00 0.00 H new ATOM 1428 N LEU B 185 -14.191 -1.778 5.908 1.00 0.00 N ATOM 1429 CA LEU B 185 -12.837 -1.305 6.184 1.00 0.00 C ATOM 1430 C LEU B 185 -12.884 0.056 6.875 1.00 0.00 C ATOM 1431 O LEU B 185 -12.156 0.259 7.845 1.00 0.00 O ATOM 1432 CB LEU B 185 -12.015 -1.153 4.889 1.00 0.00 C ATOM 1433 CG LEU B 185 -11.214 -2.378 4.439 1.00 0.00 C ATOM 1434 CD1 LEU B 185 -10.562 -2.034 3.092 1.00 0.00 C ATOM 1435 CD2 LEU B 185 -10.127 -2.731 5.464 1.00 0.00 C ATOM 0 H LEU B 185 -14.370 -1.960 4.920 1.00 0.00 H new ATOM 0 HA LEU B 185 -12.364 -2.047 6.827 1.00 0.00 H new ATOM 0 HB2 LEU B 185 -12.695 -0.876 4.084 1.00 0.00 H new ATOM 0 HB3 LEU B 185 -11.322 -0.322 5.021 1.00 0.00 H new ATOM 0 HG LEU B 185 -11.875 -3.240 4.348 1.00 0.00 H new ATOM 0 HD11 LEU B 185 -9.981 -2.887 2.740 1.00 0.00 H new ATOM 0 HD12 LEU B 185 -11.337 -1.797 2.363 1.00 0.00 H new ATOM 0 HD13 LEU B 185 -9.904 -1.174 3.215 1.00 0.00 H new ATOM 0 HD21 LEU B 185 -9.573 -3.604 5.120 1.00 0.00 H new ATOM 0 HD22 LEU B 185 -9.444 -1.889 5.575 1.00 0.00 H new ATOM 0 HD23 LEU B 185 -10.591 -2.951 6.425 1.00 0.00 H new ATOM 1447 N MET B 186 -13.703 0.991 6.377 1.00 0.00 N ATOM 1448 CA MET B 186 -13.803 2.324 6.965 1.00 0.00 C ATOM 1449 C MET B 186 -14.282 2.268 8.409 1.00 0.00 C ATOM 1450 O MET B 186 -13.918 3.142 9.191 1.00 0.00 O ATOM 1451 CB MET B 186 -14.741 3.233 6.158 1.00 0.00 C ATOM 1452 CG MET B 186 -14.194 3.512 4.760 1.00 0.00 C ATOM 1453 SD MET B 186 -15.112 4.744 3.809 1.00 0.00 S ATOM 1454 CE MET B 186 -14.508 6.278 4.545 1.00 0.00 C ATOM 0 H MET B 186 -14.305 0.844 5.567 1.00 0.00 H new ATOM 0 HA MET B 186 -12.797 2.744 6.941 1.00 0.00 H new ATOM 0 HB2 MET B 186 -15.722 2.764 6.078 1.00 0.00 H new ATOM 0 HB3 MET B 186 -14.880 4.175 6.689 1.00 0.00 H new ATOM 0 HG2 MET B 186 -13.159 3.843 4.851 1.00 0.00 H new ATOM 0 HG3 MET B 186 -14.182 2.578 4.199 1.00 0.00 H new ATOM 0 HE1 MET B 186 -14.987 7.128 4.059 1.00 0.00 H new ATOM 0 HE2 MET B 186 -14.744 6.289 5.609 1.00 0.00 H new ATOM 0 HE3 MET B 186 -13.428 6.345 4.412 1.00 0.00 H new ATOM 1464 N GLN B 187 -15.103 1.287 8.779 1.00 0.00 N ATOM 1465 CA GLN B 187 -15.601 1.164 10.135 1.00 0.00 C ATOM 1466 C GLN B 187 -14.516 0.603 11.046 1.00 0.00 C ATOM 1467 O GLN B 187 -14.197 1.225 12.062 1.00 0.00 O ATOM 1468 CB GLN B 187 -16.871 0.298 10.147 1.00 0.00 C ATOM 1469 CG GLN B 187 -18.069 1.003 9.493 1.00 0.00 C ATOM 1470 CD GLN B 187 -18.340 2.396 10.062 1.00 0.00 C ATOM 1471 OE1 GLN B 187 -18.226 2.647 11.264 1.00 0.00 O ATOM 1472 NE2 GLN B 187 -18.643 3.352 9.203 1.00 0.00 N ATOM 0 H GLN B 187 -15.437 0.561 8.145 1.00 0.00 H new ATOM 0 HA GLN B 187 -15.868 2.149 10.518 1.00 0.00 H new ATOM 0 HB2 GLN B 187 -16.674 -0.638 9.624 1.00 0.00 H new ATOM 0 HB3 GLN B 187 -17.122 0.041 11.176 1.00 0.00 H new ATOM 0 HG2 GLN B 187 -17.891 1.085 8.421 1.00 0.00 H new ATOM 0 HG3 GLN B 187 -18.959 0.387 9.622 1.00 0.00 H new ATOM 0 HE21 GLN B 187 -18.735 3.135 8.211 1.00 0.00 H new ATOM 0 HE22 GLN B 187 -18.785 4.307 9.532 1.00 0.00 H new ATOM 1481 N LYS B 188 -13.909 -0.533 10.691 1.00 0.00 N ATOM 1482 CA LYS B 188 -12.881 -1.114 11.548 1.00 0.00 C ATOM 1483 C LYS B 188 -11.633 -0.242 11.676 1.00 0.00 C ATOM 1484 O LYS B 188 -11.039 -0.209 12.753 1.00 0.00 O ATOM 1485 CB LYS B 188 -12.572 -2.556 11.156 1.00 0.00 C ATOM 1486 CG LYS B 188 -11.958 -2.738 9.766 1.00 0.00 C ATOM 1487 CD LYS B 188 -11.107 -4.006 9.712 1.00 0.00 C ATOM 1488 CE LYS B 188 -9.845 -3.839 10.574 1.00 0.00 C ATOM 1489 NZ LYS B 188 -8.850 -4.881 10.287 1.00 0.00 N ATOM 0 H LYS B 188 -14.107 -1.055 9.837 1.00 0.00 H new ATOM 0 HA LYS B 188 -13.298 -1.146 12.555 1.00 0.00 H new ATOM 0 HB2 LYS B 188 -11.890 -2.978 11.894 1.00 0.00 H new ATOM 0 HB3 LYS B 188 -13.494 -3.135 11.206 1.00 0.00 H new ATOM 0 HG2 LYS B 188 -12.749 -2.793 9.018 1.00 0.00 H new ATOM 0 HG3 LYS B 188 -11.345 -1.872 9.518 1.00 0.00 H new ATOM 0 HD2 LYS B 188 -11.688 -4.857 10.067 1.00 0.00 H new ATOM 0 HD3 LYS B 188 -10.826 -4.220 8.681 1.00 0.00 H new ATOM 0 HE2 LYS B 188 -9.407 -2.858 10.392 1.00 0.00 H new ATOM 0 HE3 LYS B 188 -10.117 -3.876 11.629 1.00 0.00 H new ATOM 0 HZ1 LYS B 188 -8.782 -5.529 11.098 1.00 0.00 H new ATOM 0 HZ2 LYS B 188 -9.139 -5.413 9.441 1.00 0.00 H new ATOM 0 HZ3 LYS B 188 -7.924 -4.439 10.118 1.00 0.00 H new ATOM 1503 N GLU B 189 -11.255 0.511 10.644 1.00 0.00 N ATOM 1504 CA GLU B 189 -10.075 1.377 10.669 1.00 0.00 C ATOM 1505 C GLU B 189 -10.455 2.839 10.952 1.00 0.00 C ATOM 1506 O GLU B 189 -9.607 3.716 10.796 1.00 0.00 O ATOM 1507 CB GLU B 189 -9.296 1.237 9.346 1.00 0.00 C ATOM 1508 CG GLU B 189 -8.626 -0.136 9.177 1.00 0.00 C ATOM 1509 CD GLU B 189 -7.441 -0.330 10.123 1.00 0.00 C ATOM 1510 OE1 GLU B 189 -6.414 0.374 9.979 1.00 0.00 O ATOM 1511 OE2 GLU B 189 -7.488 -1.249 10.980 1.00 0.00 O ATOM 0 H GLU B 189 -11.762 0.538 9.760 1.00 0.00 H new ATOM 0 HA GLU B 189 -9.427 1.059 11.486 1.00 0.00 H new ATOM 0 HB2 GLU B 189 -9.977 1.406 8.512 1.00 0.00 H new ATOM 0 HB3 GLU B 189 -8.533 2.014 9.298 1.00 0.00 H new ATOM 0 HG2 GLU B 189 -9.362 -0.920 9.356 1.00 0.00 H new ATOM 0 HG3 GLU B 189 -8.286 -0.247 8.147 1.00 0.00 H new ATOM 1518 N GLN B 190 -11.669 3.130 11.442 1.00 0.00 N ATOM 1519 CA GLN B 190 -12.154 4.490 11.720 1.00 0.00 C ATOM 1520 C GLN B 190 -11.284 5.381 12.628 1.00 0.00 C ATOM 1521 O GLN B 190 -11.599 6.566 12.788 1.00 0.00 O ATOM 1522 CB GLN B 190 -13.609 4.447 12.217 1.00 0.00 C ATOM 1523 CG GLN B 190 -13.790 4.078 13.700 1.00 0.00 C ATOM 1524 CD GLN B 190 -15.238 3.858 14.088 1.00 0.00 C ATOM 1525 OE1 GLN B 190 -15.581 2.913 14.796 1.00 0.00 O ATOM 1526 NE2 GLN B 190 -16.130 4.708 13.638 1.00 0.00 N ATOM 0 H GLN B 190 -12.357 2.409 11.661 1.00 0.00 H new ATOM 0 HA GLN B 190 -12.085 4.990 10.754 1.00 0.00 H new ATOM 0 HB2 GLN B 190 -14.063 5.423 12.045 1.00 0.00 H new ATOM 0 HB3 GLN B 190 -14.161 3.728 11.611 1.00 0.00 H new ATOM 0 HG2 GLN B 190 -13.222 3.173 13.914 1.00 0.00 H new ATOM 0 HG3 GLN B 190 -13.371 4.872 14.319 1.00 0.00 H new ATOM 0 HE21 GLN B 190 -15.839 5.490 13.051 1.00 0.00 H new ATOM 0 HE22 GLN B 190 -17.115 4.587 13.875 1.00 0.00 H new ATOM 1535 N ARG B 191 -10.232 4.861 13.265 1.00 0.00 N ATOM 1536 CA ARG B 191 -9.329 5.625 14.139 1.00 0.00 C ATOM 1537 C ARG B 191 -7.897 5.602 13.615 1.00 0.00 C ATOM 1538 O ARG B 191 -6.997 6.118 14.276 1.00 0.00 O ATOM 1539 CB ARG B 191 -9.430 5.155 15.597 1.00 0.00 C ATOM 1540 CG ARG B 191 -10.872 5.303 16.101 1.00 0.00 C ATOM 1541 CD ARG B 191 -11.080 4.845 17.539 1.00 0.00 C ATOM 1542 NE ARG B 191 -10.293 5.639 18.487 1.00 0.00 N ATOM 1543 CZ ARG B 191 -10.713 6.746 19.105 1.00 0.00 C ATOM 1544 NH1 ARG B 191 -11.847 7.338 18.755 1.00 0.00 N ATOM 1545 NH2 ARG B 191 -9.990 7.240 20.097 1.00 0.00 N ATOM 0 H ARG B 191 -9.976 3.877 13.188 1.00 0.00 H new ATOM 0 HA ARG B 191 -9.650 6.667 14.124 1.00 0.00 H new ATOM 0 HB2 ARG B 191 -9.115 4.114 15.674 1.00 0.00 H new ATOM 0 HB3 ARG B 191 -8.756 5.740 16.223 1.00 0.00 H new ATOM 0 HG2 ARG B 191 -11.169 6.349 16.018 1.00 0.00 H new ATOM 0 HG3 ARG B 191 -11.533 4.731 15.450 1.00 0.00 H new ATOM 0 HD2 ARG B 191 -12.137 4.919 17.794 1.00 0.00 H new ATOM 0 HD3 ARG B 191 -10.803 3.794 17.629 1.00 0.00 H new ATOM 0 HE ARG B 191 -9.346 5.320 18.692 1.00 0.00 H new ATOM 0 HH11 ARG B 191 -12.415 6.948 18.002 1.00 0.00 H new ATOM 0 HH12 ARG B 191 -12.152 8.183 19.239 1.00 0.00 H new ATOM 0 HH21 ARG B 191 -9.126 6.776 20.379 1.00 0.00 H new ATOM 0 HH22 ARG B 191 -10.296 8.085 20.580 1.00 0.00 H new ATOM 1559 N ASN B 192 -7.651 4.975 12.466 1.00 0.00 N ATOM 1560 CA ASN B 192 -6.338 4.901 11.857 1.00 0.00 C ATOM 1561 C ASN B 192 -6.242 6.057 10.868 1.00 0.00 C ATOM 1562 O ASN B 192 -7.004 6.111 9.903 1.00 0.00 O ATOM 1563 CB ASN B 192 -6.147 3.559 11.146 1.00 0.00 C ATOM 1564 CG ASN B 192 -4.765 3.455 10.517 1.00 0.00 C ATOM 1565 OD1 ASN B 192 -3.891 4.303 10.714 1.00 0.00 O ATOM 1566 ND2 ASN B 192 -4.522 2.402 9.773 1.00 0.00 N ATOM 0 H ASN B 192 -8.375 4.498 11.929 1.00 0.00 H new ATOM 0 HA ASN B 192 -5.555 4.974 12.612 1.00 0.00 H new ATOM 0 HB2 ASN B 192 -6.286 2.745 11.858 1.00 0.00 H new ATOM 0 HB3 ASN B 192 -6.909 3.442 10.375 1.00 0.00 H new ATOM 0 HD21 ASN B 192 -3.602 2.278 9.350 1.00 0.00 H new ATOM 0 HD22 ASN B 192 -5.253 1.708 9.618 1.00 0.00 H new ATOM 1573 N TYR B 193 -5.334 7.002 11.112 1.00 0.00 N ATOM 1574 CA TYR B 193 -5.139 8.159 10.240 1.00 0.00 C ATOM 1575 C TYR B 193 -4.766 7.745 8.816 1.00 0.00 C ATOM 1576 O TYR B 193 -5.152 8.408 7.861 1.00 0.00 O ATOM 1577 CB TYR B 193 -4.076 9.090 10.835 1.00 0.00 C ATOM 1578 CG TYR B 193 -2.625 8.674 10.646 1.00 0.00 C ATOM 1579 CD1 TYR B 193 -2.123 7.501 11.248 1.00 0.00 C ATOM 1580 CD2 TYR B 193 -1.762 9.481 9.876 1.00 0.00 C ATOM 1581 CE1 TYR B 193 -0.780 7.128 11.073 1.00 0.00 C ATOM 1582 CE2 TYR B 193 -0.415 9.114 9.703 1.00 0.00 C ATOM 1583 CZ TYR B 193 0.082 7.938 10.303 1.00 0.00 C ATOM 1584 OH TYR B 193 1.385 7.580 10.157 1.00 0.00 O ATOM 0 H TYR B 193 -4.713 6.986 11.921 1.00 0.00 H new ATOM 0 HA TYR B 193 -6.086 8.695 10.177 1.00 0.00 H new ATOM 0 HB2 TYR B 193 -4.207 10.080 10.398 1.00 0.00 H new ATOM 0 HB3 TYR B 193 -4.267 9.186 11.904 1.00 0.00 H new ATOM 0 HD1 TYR B 193 -2.776 6.885 11.848 1.00 0.00 H new ATOM 0 HD2 TYR B 193 -2.137 10.384 9.417 1.00 0.00 H new ATOM 0 HE1 TYR B 193 -0.407 6.222 11.527 1.00 0.00 H new ATOM 0 HE2 TYR B 193 0.240 9.734 9.109 1.00 0.00 H new ATOM 0 HH TYR B 193 1.845 8.240 9.598 1.00 0.00 H new ATOM 1594 N GLN B 194 -4.059 6.622 8.657 1.00 0.00 N ATOM 1595 CA GLN B 194 -3.642 6.142 7.350 1.00 0.00 C ATOM 1596 C GLN B 194 -4.815 5.667 6.482 1.00 0.00 C ATOM 1597 O GLN B 194 -4.606 5.396 5.300 1.00 0.00 O ATOM 1598 CB GLN B 194 -2.542 5.069 7.514 1.00 0.00 C ATOM 1599 CG GLN B 194 -1.225 5.579 6.906 1.00 0.00 C ATOM 1600 CD GLN B 194 -0.215 4.482 6.578 1.00 0.00 C ATOM 1601 OE1 GLN B 194 -0.059 3.511 7.313 1.00 0.00 O ATOM 1602 NE2 GLN B 194 0.444 4.554 5.436 1.00 0.00 N ATOM 0 H GLN B 194 -3.764 6.027 9.431 1.00 0.00 H new ATOM 0 HA GLN B 194 -3.218 6.983 6.801 1.00 0.00 H new ATOM 0 HB2 GLN B 194 -2.401 4.838 8.570 1.00 0.00 H new ATOM 0 HB3 GLN B 194 -2.846 4.145 7.023 1.00 0.00 H new ATOM 0 HG2 GLN B 194 -1.450 6.133 5.995 1.00 0.00 H new ATOM 0 HG3 GLN B 194 -0.766 6.282 7.601 1.00 0.00 H new ATOM 0 HE21 GLN B 194 0.316 5.360 4.823 1.00 0.00 H new ATOM 0 HE22 GLN B 194 1.081 3.804 5.166 1.00 0.00 H new ATOM 1611 N PHE B 195 -6.028 5.543 7.035 1.00 0.00 N ATOM 1612 CA PHE B 195 -7.222 5.119 6.312 1.00 0.00 C ATOM 1613 C PHE B 195 -8.140 6.337 6.068 1.00 0.00 C ATOM 1614 O PHE B 195 -9.339 6.185 5.813 1.00 0.00 O ATOM 1615 CB PHE B 195 -7.905 3.939 7.025 1.00 0.00 C ATOM 1616 CG PHE B 195 -7.294 2.597 6.658 1.00 0.00 C ATOM 1617 CD1 PHE B 195 -5.934 2.344 6.918 1.00 0.00 C ATOM 1618 CD2 PHE B 195 -8.063 1.619 5.996 1.00 0.00 C ATOM 1619 CE1 PHE B 195 -5.349 1.125 6.544 1.00 0.00 C ATOM 1620 CE2 PHE B 195 -7.476 0.397 5.620 1.00 0.00 C ATOM 1621 CZ PHE B 195 -6.123 0.141 5.910 1.00 0.00 C ATOM 0 H PHE B 195 -6.205 5.740 8.020 1.00 0.00 H new ATOM 0 HA PHE B 195 -6.952 4.735 5.328 1.00 0.00 H new ATOM 0 HB2 PHE B 195 -7.835 4.082 8.103 1.00 0.00 H new ATOM 0 HB3 PHE B 195 -8.965 3.932 6.772 1.00 0.00 H new ATOM 0 HD1 PHE B 195 -5.335 3.096 7.410 1.00 0.00 H new ATOM 0 HD2 PHE B 195 -9.104 1.808 5.777 1.00 0.00 H new ATOM 0 HE1 PHE B 195 -4.303 0.944 6.744 1.00 0.00 H new ATOM 0 HE2 PHE B 195 -8.066 -0.348 5.107 1.00 0.00 H new ATOM 0 HZ PHE B 195 -5.682 -0.809 5.646 1.00 0.00 H new ATOM 1631 N ASP B 196 -7.610 7.562 6.176 1.00 0.00 N ATOM 1632 CA ASP B 196 -8.364 8.798 5.952 1.00 0.00 C ATOM 1633 C ASP B 196 -8.521 9.120 4.457 1.00 0.00 C ATOM 1634 O ASP B 196 -9.401 9.898 4.101 1.00 0.00 O ATOM 1635 CB ASP B 196 -7.696 9.954 6.706 1.00 0.00 C ATOM 1636 CG ASP B 196 -8.535 11.236 6.722 1.00 0.00 C ATOM 1637 OD1 ASP B 196 -9.724 11.188 7.118 1.00 0.00 O ATOM 1638 OD2 ASP B 196 -7.952 12.316 6.466 1.00 0.00 O ATOM 0 H ASP B 196 -6.634 7.723 6.424 1.00 0.00 H new ATOM 0 HA ASP B 196 -9.372 8.656 6.342 1.00 0.00 H new ATOM 0 HB2 ASP B 196 -7.501 9.644 7.732 1.00 0.00 H new ATOM 0 HB3 ASP B 196 -6.730 10.167 6.248 1.00 0.00 H new ATOM 1643 N PHE B 197 -7.721 8.532 3.550 1.00 0.00 N ATOM 1644 CA PHE B 197 -7.860 8.815 2.114 1.00 0.00 C ATOM 1645 C PHE B 197 -9.178 8.269 1.548 1.00 0.00 C ATOM 1646 O PHE B 197 -9.617 8.705 0.482 1.00 0.00 O ATOM 1647 CB PHE B 197 -6.623 8.418 1.283 1.00 0.00 C ATOM 1648 CG PHE B 197 -6.399 6.932 1.101 1.00 0.00 C ATOM 1649 CD1 PHE B 197 -7.240 6.191 0.245 1.00 0.00 C ATOM 1650 CD2 PHE B 197 -5.417 6.270 1.865 1.00 0.00 C ATOM 1651 CE1 PHE B 197 -7.166 4.788 0.224 1.00 0.00 C ATOM 1652 CE2 PHE B 197 -5.357 4.866 1.853 1.00 0.00 C ATOM 1653 CZ PHE B 197 -6.246 4.126 1.052 1.00 0.00 C ATOM 0 H PHE B 197 -6.983 7.868 3.783 1.00 0.00 H new ATOM 0 HA PHE B 197 -7.911 9.900 2.021 1.00 0.00 H new ATOM 0 HB2 PHE B 197 -6.709 8.876 0.298 1.00 0.00 H new ATOM 0 HB3 PHE B 197 -5.739 8.844 1.757 1.00 0.00 H new ATOM 0 HD1 PHE B 197 -7.942 6.703 -0.396 1.00 0.00 H new ATOM 0 HD2 PHE B 197 -4.715 6.838 2.456 1.00 0.00 H new ATOM 0 HE1 PHE B 197 -7.815 4.221 -0.427 1.00 0.00 H new ATOM 0 HE2 PHE B 197 -4.626 4.353 2.461 1.00 0.00 H new ATOM 0 HZ PHE B 197 -6.220 3.047 1.074 1.00 0.00 H new ATOM 1663 N LEU B 198 -9.816 7.322 2.247 1.00 0.00 N ATOM 1664 CA LEU B 198 -11.093 6.728 1.860 1.00 0.00 C ATOM 1665 C LEU B 198 -12.229 7.725 2.121 1.00 0.00 C ATOM 1666 O LEU B 198 -13.362 7.470 1.698 1.00 0.00 O ATOM 1667 CB LEU B 198 -11.349 5.428 2.646 1.00 0.00 C ATOM 1668 CG LEU B 198 -10.434 4.258 2.246 1.00 0.00 C ATOM 1669 CD1 LEU B 198 -10.401 3.198 3.354 1.00 0.00 C ATOM 1670 CD2 LEU B 198 -10.795 3.633 0.905 1.00 0.00 C ATOM 0 H LEU B 198 -9.446 6.941 3.118 1.00 0.00 H new ATOM 0 HA LEU B 198 -11.056 6.489 0.797 1.00 0.00 H new ATOM 0 HB2 LEU B 198 -11.220 5.628 3.710 1.00 0.00 H new ATOM 0 HB3 LEU B 198 -12.387 5.128 2.502 1.00 0.00 H new ATOM 0 HG LEU B 198 -9.436 4.678 2.120 1.00 0.00 H new ATOM 0 HD11 LEU B 198 -9.749 2.378 3.054 1.00 0.00 H new ATOM 0 HD12 LEU B 198 -10.023 3.644 4.274 1.00 0.00 H new ATOM 0 HD13 LEU B 198 -11.408 2.817 3.523 1.00 0.00 H new ATOM 0 HD21 LEU B 198 -10.108 2.815 0.688 1.00 0.00 H new ATOM 0 HD22 LEU B 198 -11.815 3.250 0.945 1.00 0.00 H new ATOM 0 HD23 LEU B 198 -10.721 4.386 0.121 1.00 0.00 H new ATOM 1682 N ARG B 199 -11.977 8.815 2.859 1.00 0.00 N ATOM 1683 CA ARG B 199 -12.959 9.842 3.159 1.00 0.00 C ATOM 1684 C ARG B 199 -12.810 10.982 2.156 1.00 0.00 C ATOM 1685 O ARG B 199 -11.707 11.247 1.684 1.00 0.00 O ATOM 1686 CB ARG B 199 -12.736 10.402 4.571 1.00 0.00 C ATOM 1687 CG ARG B 199 -13.227 9.429 5.640 1.00 0.00 C ATOM 1688 CD ARG B 199 -13.126 10.099 7.010 1.00 0.00 C ATOM 1689 NE ARG B 199 -14.103 9.541 7.950 1.00 0.00 N ATOM 1690 CZ ARG B 199 -14.445 10.079 9.122 1.00 0.00 C ATOM 1691 NH1 ARG B 199 -13.817 11.154 9.581 1.00 0.00 N ATOM 1692 NH2 ARG B 199 -15.428 9.521 9.819 1.00 0.00 N ATOM 0 H ARG B 199 -11.062 9.002 3.269 1.00 0.00 H new ATOM 0 HA ARG B 199 -13.955 9.403 3.099 1.00 0.00 H new ATOM 0 HB2 ARG B 199 -11.675 10.604 4.721 1.00 0.00 H new ATOM 0 HB3 ARG B 199 -13.259 11.353 4.674 1.00 0.00 H new ATOM 0 HG2 ARG B 199 -14.258 9.138 5.439 1.00 0.00 H new ATOM 0 HG3 ARG B 199 -12.629 8.518 5.622 1.00 0.00 H new ATOM 0 HD2 ARG B 199 -12.120 9.968 7.408 1.00 0.00 H new ATOM 0 HD3 ARG B 199 -13.290 11.171 6.906 1.00 0.00 H new ATOM 0 HE ARG B 199 -14.560 8.668 7.686 1.00 0.00 H new ATOM 0 HH11 ARG B 199 -13.065 11.577 9.037 1.00 0.00 H new ATOM 0 HH12 ARG B 199 -14.086 11.558 10.478 1.00 0.00 H new ATOM 0 HH21 ARG B 199 -15.906 8.696 9.456 1.00 0.00 H new ATOM 0 HH22 ARG B 199 -15.705 9.917 10.717 1.00 0.00 H new ATOM 1706 N PRO B 200 -13.889 11.736 1.902 1.00 0.00 N ATOM 1707 CA PRO B 200 -13.869 12.857 0.968 1.00 0.00 C ATOM 1708 C PRO B 200 -12.934 14.003 1.395 1.00 0.00 C ATOM 1709 O PRO B 200 -12.614 14.860 0.576 1.00 0.00 O ATOM 1710 CB PRO B 200 -15.330 13.300 0.856 1.00 0.00 C ATOM 1711 CG PRO B 200 -15.983 12.798 2.141 1.00 0.00 C ATOM 1712 CD PRO B 200 -15.230 11.509 2.415 1.00 0.00 C ATOM 0 HA PRO B 200 -13.458 12.554 0.005 1.00 0.00 H new ATOM 0 HB2 PRO B 200 -15.410 14.383 0.767 1.00 0.00 H new ATOM 0 HB3 PRO B 200 -15.808 12.872 -0.025 1.00 0.00 H new ATOM 0 HG2 PRO B 200 -15.874 13.512 2.957 1.00 0.00 H new ATOM 0 HG3 PRO B 200 -17.051 12.624 2.011 1.00 0.00 H new ATOM 0 HD2 PRO B 200 -15.211 11.283 3.481 1.00 0.00 H new ATOM 0 HD3 PRO B 200 -15.704 10.663 1.918 1.00 0.00 H new ATOM 1720 N GLN B 201 -12.481 14.014 2.652 1.00 0.00 N ATOM 1721 CA GLN B 201 -11.582 14.995 3.264 1.00 0.00 C ATOM 1722 C GLN B 201 -10.134 14.894 2.754 1.00 0.00 C ATOM 1723 O GLN B 201 -9.261 15.616 3.241 1.00 0.00 O ATOM 1724 CB GLN B 201 -11.556 14.747 4.781 1.00 0.00 C ATOM 1725 CG GLN B 201 -12.907 14.905 5.480 1.00 0.00 C ATOM 1726 CD GLN B 201 -13.262 16.373 5.695 1.00 0.00 C ATOM 1727 OE1 GLN B 201 -13.802 17.023 4.802 1.00 0.00 O ATOM 1728 NE2 GLN B 201 -13.007 16.903 6.876 1.00 0.00 N ATOM 0 H GLN B 201 -12.752 13.287 3.314 1.00 0.00 H new ATOM 0 HA GLN B 201 -11.961 15.983 3.002 1.00 0.00 H new ATOM 0 HB2 GLN B 201 -11.184 13.739 4.964 1.00 0.00 H new ATOM 0 HB3 GLN B 201 -10.845 15.437 5.236 1.00 0.00 H new ATOM 0 HG2 GLN B 201 -13.684 14.426 4.884 1.00 0.00 H new ATOM 0 HG3 GLN B 201 -12.882 14.392 6.441 1.00 0.00 H new ATOM 0 HE21 GLN B 201 -12.558 16.342 7.600 1.00 0.00 H new ATOM 0 HE22 GLN B 201 -13.259 17.873 7.065 1.00 0.00 H new ATOM 1737 N HIS B 202 -9.854 13.994 1.811 1.00 0.00 N ATOM 1738 CA HIS B 202 -8.529 13.782 1.258 1.00 0.00 C ATOM 1739 C HIS B 202 -8.544 14.037 -0.245 1.00 0.00 C ATOM 1740 O HIS B 202 -9.412 13.514 -0.952 1.00 0.00 O ATOM 1741 CB HIS B 202 -8.113 12.341 1.572 1.00 0.00 C ATOM 1742 CG HIS B 202 -6.665 12.188 1.957 1.00 0.00 C ATOM 1743 ND1 HIS B 202 -5.612 11.908 1.113 1.00 0.00 N ATOM 1744 CD2 HIS B 202 -6.182 12.196 3.239 1.00 0.00 C ATOM 1745 CE1 HIS B 202 -4.514 11.758 1.871 1.00 0.00 C ATOM 1746 NE2 HIS B 202 -4.810 11.932 3.169 1.00 0.00 N ATOM 0 H HIS B 202 -10.562 13.382 1.406 1.00 0.00 H new ATOM 0 HA HIS B 202 -7.811 14.473 1.699 1.00 0.00 H new ATOM 0 HB2 HIS B 202 -8.735 11.963 2.383 1.00 0.00 H new ATOM 0 HB3 HIS B 202 -8.314 11.718 0.700 1.00 0.00 H new ATOM 0 HD2 HIS B 202 -6.755 12.373 4.137 1.00 0.00 H new ATOM 0 HE1 HIS B 202 -3.530 11.529 1.490 1.00 0.00 H new ATOM 0 HE2 HIS B 202 -4.160 11.881 3.953 1.00 0.00 H new ATOM 1754 N SER B 203 -7.547 14.762 -0.762 1.00 0.00 N ATOM 1755 CA SER B 203 -7.431 15.070 -2.190 1.00 0.00 C ATOM 1756 C SER B 203 -7.464 13.780 -3.024 1.00 0.00 C ATOM 1757 O SER B 203 -8.116 13.719 -4.073 1.00 0.00 O ATOM 1758 CB SER B 203 -6.137 15.864 -2.416 1.00 0.00 C ATOM 1759 OG SER B 203 -5.920 16.154 -3.782 1.00 0.00 O ATOM 0 H SER B 203 -6.793 15.154 -0.197 1.00 0.00 H new ATOM 0 HA SER B 203 -8.277 15.677 -2.514 1.00 0.00 H new ATOM 0 HB2 SER B 203 -6.181 16.795 -1.851 1.00 0.00 H new ATOM 0 HB3 SER B 203 -5.292 15.296 -2.028 1.00 0.00 H new ATOM 0 HG SER B 203 -5.087 16.661 -3.880 1.00 0.00 H new ATOM 1765 N LEU B 204 -6.843 12.717 -2.510 1.00 0.00 N ATOM 1766 CA LEU B 204 -6.760 11.408 -3.147 1.00 0.00 C ATOM 1767 C LEU B 204 -8.111 10.701 -3.306 1.00 0.00 C ATOM 1768 O LEU B 204 -8.182 9.791 -4.128 1.00 0.00 O ATOM 1769 CB LEU B 204 -5.804 10.503 -2.354 1.00 0.00 C ATOM 1770 CG LEU B 204 -4.359 11.019 -2.251 1.00 0.00 C ATOM 1771 CD1 LEU B 204 -3.575 10.043 -1.373 1.00 0.00 C ATOM 1772 CD2 LEU B 204 -3.698 11.199 -3.628 1.00 0.00 C ATOM 0 H LEU B 204 -6.369 12.748 -1.608 1.00 0.00 H new ATOM 0 HA LEU B 204 -6.385 11.589 -4.154 1.00 0.00 H new ATOM 0 HB2 LEU B 204 -6.201 10.374 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU B 204 -5.790 9.518 -2.820 1.00 0.00 H new ATOM 0 HG LEU B 204 -4.362 12.012 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU B 204 -2.544 10.384 -1.281 1.00 0.00 H new ATOM 0 HD12 LEU B 204 -4.031 9.996 -0.384 1.00 0.00 H new ATOM 0 HD13 LEU B 204 -3.591 9.052 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU B 204 -2.680 11.565 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU B 204 -3.676 10.242 -4.149 1.00 0.00 H new ATOM 0 HD23 LEU B 204 -4.270 11.918 -4.215 1.00 0.00 H new ATOM 1784 N PHE B 205 -9.174 11.091 -2.588 1.00 0.00 N ATOM 1785 CA PHE B 205 -10.485 10.446 -2.700 1.00 0.00 C ATOM 1786 C PHE B 205 -10.975 10.455 -4.149 1.00 0.00 C ATOM 1787 O PHE B 205 -11.475 9.439 -4.621 1.00 0.00 O ATOM 1788 CB PHE B 205 -11.500 11.111 -1.763 1.00 0.00 C ATOM 1789 CG PHE B 205 -12.914 10.556 -1.831 1.00 0.00 C ATOM 1790 CD1 PHE B 205 -13.807 10.996 -2.829 1.00 0.00 C ATOM 1791 CD2 PHE B 205 -13.367 9.657 -0.850 1.00 0.00 C ATOM 1792 CE1 PHE B 205 -15.147 10.568 -2.827 1.00 0.00 C ATOM 1793 CE2 PHE B 205 -14.711 9.243 -0.834 1.00 0.00 C ATOM 1794 CZ PHE B 205 -15.602 9.701 -1.820 1.00 0.00 C ATOM 0 H PHE B 205 -9.147 11.859 -1.917 1.00 0.00 H new ATOM 0 HA PHE B 205 -10.381 9.405 -2.393 1.00 0.00 H new ATOM 0 HB2 PHE B 205 -11.140 11.016 -0.739 1.00 0.00 H new ATOM 0 HB3 PHE B 205 -11.535 12.176 -1.991 1.00 0.00 H new ATOM 0 HD1 PHE B 205 -13.460 11.667 -3.601 1.00 0.00 H new ATOM 0 HD2 PHE B 205 -12.680 9.283 -0.105 1.00 0.00 H new ATOM 0 HE1 PHE B 205 -15.824 10.905 -3.598 1.00 0.00 H new ATOM 0 HE2 PHE B 205 -15.059 8.572 -0.063 1.00 0.00 H new ATOM 0 HZ PHE B 205 -16.635 9.387 -1.803 1.00 0.00 H new ATOM 1804 N ASN B 206 -10.820 11.577 -4.863 1.00 0.00 N ATOM 1805 CA ASN B 206 -11.234 11.699 -6.265 1.00 0.00 C ATOM 1806 C ASN B 206 -10.507 10.648 -7.103 1.00 0.00 C ATOM 1807 O ASN B 206 -11.150 9.884 -7.821 1.00 0.00 O ATOM 1808 CB ASN B 206 -11.010 13.126 -6.806 1.00 0.00 C ATOM 1809 CG ASN B 206 -12.288 13.946 -6.921 1.00 0.00 C ATOM 1810 OD1 ASN B 206 -12.414 14.787 -7.808 1.00 0.00 O ATOM 1811 ND2 ASN B 206 -13.232 13.795 -6.004 1.00 0.00 N ATOM 0 H ASN B 206 -10.403 12.427 -4.483 1.00 0.00 H new ATOM 0 HA ASN B 206 -12.306 11.516 -6.332 1.00 0.00 H new ATOM 0 HB2 ASN B 206 -10.312 13.648 -6.151 1.00 0.00 H new ATOM 0 HB3 ASN B 206 -10.540 13.063 -7.787 1.00 0.00 H new ATOM 0 HD21 ASN B 206 -14.068 14.378 -6.032 1.00 0.00 H new ATOM 0 HD22 ASN B 206 -13.123 13.095 -5.270 1.00 0.00 H new ATOM 1818 N TYR B 207 -9.178 10.567 -6.989 1.00 0.00 N ATOM 1819 CA TYR B 207 -8.395 9.588 -7.730 1.00 0.00 C ATOM 1820 C TYR B 207 -8.766 8.153 -7.310 1.00 0.00 C ATOM 1821 O TYR B 207 -8.704 7.238 -8.127 1.00 0.00 O ATOM 1822 CB TYR B 207 -6.914 9.906 -7.497 1.00 0.00 C ATOM 1823 CG TYR B 207 -5.947 8.874 -8.028 1.00 0.00 C ATOM 1824 CD1 TYR B 207 -5.579 8.868 -9.388 1.00 0.00 C ATOM 1825 CD2 TYR B 207 -5.403 7.928 -7.144 1.00 0.00 C ATOM 1826 CE1 TYR B 207 -4.643 7.930 -9.861 1.00 0.00 C ATOM 1827 CE2 TYR B 207 -4.461 6.999 -7.608 1.00 0.00 C ATOM 1828 CZ TYR B 207 -4.080 6.991 -8.967 1.00 0.00 C ATOM 1829 OH TYR B 207 -3.173 6.076 -9.398 1.00 0.00 O ATOM 0 H TYR B 207 -8.624 11.174 -6.385 1.00 0.00 H new ATOM 0 HA TYR B 207 -8.610 9.647 -8.797 1.00 0.00 H new ATOM 0 HB2 TYR B 207 -6.687 10.866 -7.960 1.00 0.00 H new ATOM 0 HB3 TYR B 207 -6.747 10.021 -6.426 1.00 0.00 H new ATOM 0 HD1 TYR B 207 -6.016 9.584 -10.068 1.00 0.00 H new ATOM 0 HD2 TYR B 207 -5.710 7.916 -6.109 1.00 0.00 H new ATOM 0 HE1 TYR B 207 -4.356 7.927 -10.902 1.00 0.00 H new ATOM 0 HE2 TYR B 207 -4.025 6.287 -6.923 1.00 0.00 H new ATOM 0 HH TYR B 207 -2.665 6.448 -10.149 1.00 0.00 H new ATOM 1839 N PHE B 208 -9.167 7.934 -6.057 1.00 0.00 N ATOM 1840 CA PHE B 208 -9.566 6.625 -5.571 1.00 0.00 C ATOM 1841 C PHE B 208 -10.891 6.231 -6.238 1.00 0.00 C ATOM 1842 O PHE B 208 -10.948 5.201 -6.905 1.00 0.00 O ATOM 1843 CB PHE B 208 -9.646 6.633 -4.036 1.00 0.00 C ATOM 1844 CG PHE B 208 -10.393 5.455 -3.435 1.00 0.00 C ATOM 1845 CD1 PHE B 208 -9.737 4.236 -3.167 1.00 0.00 C ATOM 1846 CD2 PHE B 208 -11.772 5.572 -3.179 1.00 0.00 C ATOM 1847 CE1 PHE B 208 -10.458 3.147 -2.647 1.00 0.00 C ATOM 1848 CE2 PHE B 208 -12.498 4.476 -2.690 1.00 0.00 C ATOM 1849 CZ PHE B 208 -11.840 3.267 -2.415 1.00 0.00 C ATOM 0 H PHE B 208 -9.222 8.668 -5.351 1.00 0.00 H new ATOM 0 HA PHE B 208 -8.824 5.872 -5.837 1.00 0.00 H new ATOM 0 HB2 PHE B 208 -8.633 6.648 -3.633 1.00 0.00 H new ATOM 0 HB3 PHE B 208 -10.131 7.555 -3.715 1.00 0.00 H new ATOM 0 HD1 PHE B 208 -8.679 4.139 -3.361 1.00 0.00 H new ATOM 0 HD2 PHE B 208 -12.274 6.511 -3.360 1.00 0.00 H new ATOM 0 HE1 PHE B 208 -9.951 2.219 -2.426 1.00 0.00 H new ATOM 0 HE2 PHE B 208 -13.562 4.562 -2.525 1.00 0.00 H new ATOM 0 HZ PHE B 208 -12.396 2.427 -2.025 1.00 0.00 H new ATOM 1859 N THR B 209 -11.950 7.040 -6.106 1.00 0.00 N ATOM 1860 CA THR B 209 -13.255 6.736 -6.694 1.00 0.00 C ATOM 1861 C THR B 209 -13.133 6.561 -8.216 1.00 0.00 C ATOM 1862 O THR B 209 -13.665 5.590 -8.752 1.00 0.00 O ATOM 1863 CB THR B 209 -14.314 7.756 -6.205 1.00 0.00 C ATOM 1864 OG1 THR B 209 -15.642 7.358 -6.475 1.00 0.00 O ATOM 1865 CG2 THR B 209 -14.152 9.179 -6.728 1.00 0.00 C ATOM 0 H THR B 209 -11.924 7.920 -5.590 1.00 0.00 H new ATOM 0 HA THR B 209 -13.624 5.772 -6.344 1.00 0.00 H new ATOM 0 HB THR B 209 -14.124 7.765 -5.132 1.00 0.00 H new ATOM 0 HG1 THR B 209 -16.262 8.040 -6.142 1.00 0.00 H new ATOM 0 HG21 THR B 209 -14.945 9.808 -6.323 1.00 0.00 H new ATOM 0 HG22 THR B 209 -13.184 9.572 -6.419 1.00 0.00 H new ATOM 0 HG23 THR B 209 -14.211 9.176 -7.816 1.00 0.00 H new ATOM 1873 N LYS B 210 -12.365 7.411 -8.917 1.00 0.00 N ATOM 1874 CA LYS B 210 -12.205 7.305 -10.373 1.00 0.00 C ATOM 1875 C LYS B 210 -11.567 5.980 -10.811 1.00 0.00 C ATOM 1876 O LYS B 210 -11.618 5.637 -11.993 1.00 0.00 O ATOM 1877 CB LYS B 210 -11.481 8.546 -10.925 1.00 0.00 C ATOM 1878 CG LYS B 210 -9.960 8.432 -11.052 1.00 0.00 C ATOM 1879 CD LYS B 210 -9.346 9.719 -11.605 1.00 0.00 C ATOM 1880 CE LYS B 210 -9.670 9.841 -13.101 1.00 0.00 C ATOM 1881 NZ LYS B 210 -8.453 9.945 -13.929 1.00 0.00 N ATOM 0 H LYS B 210 -11.845 8.181 -8.496 1.00 0.00 H new ATOM 0 HA LYS B 210 -13.200 7.286 -10.818 1.00 0.00 H new ATOM 0 HB2 LYS B 210 -11.892 8.775 -11.908 1.00 0.00 H new ATOM 0 HB3 LYS B 210 -11.710 9.393 -10.279 1.00 0.00 H new ATOM 0 HG2 LYS B 210 -9.528 8.212 -10.076 1.00 0.00 H new ATOM 0 HG3 LYS B 210 -9.710 7.598 -11.707 1.00 0.00 H new ATOM 0 HD2 LYS B 210 -9.737 10.582 -11.066 1.00 0.00 H new ATOM 0 HD3 LYS B 210 -8.266 9.713 -11.455 1.00 0.00 H new ATOM 0 HE2 LYS B 210 -10.249 8.974 -13.417 1.00 0.00 H new ATOM 0 HE3 LYS B 210 -10.295 10.719 -13.265 1.00 0.00 H new ATOM 0 HZ1 LYS B 210 -8.721 10.025 -14.931 1.00 0.00 H new ATOM 0 HZ2 LYS B 210 -7.912 10.787 -13.647 1.00 0.00 H new ATOM 0 HZ3 LYS B 210 -7.868 9.096 -13.794 1.00 0.00 H new ATOM 1895 N LEU B 211 -10.904 5.258 -9.907 1.00 0.00 N ATOM 1896 CA LEU B 211 -10.292 3.973 -10.199 1.00 0.00 C ATOM 1897 C LEU B 211 -11.296 2.860 -9.953 1.00 0.00 C ATOM 1898 O LEU B 211 -11.269 1.884 -10.696 1.00 0.00 O ATOM 1899 CB LEU B 211 -9.089 3.722 -9.285 1.00 0.00 C ATOM 1900 CG LEU B 211 -7.827 4.455 -9.736 1.00 0.00 C ATOM 1901 CD1 LEU B 211 -6.829 4.449 -8.588 1.00 0.00 C ATOM 1902 CD2 LEU B 211 -7.177 3.737 -10.910 1.00 0.00 C ATOM 0 H LEU B 211 -10.779 5.558 -8.940 1.00 0.00 H new ATOM 0 HA LEU B 211 -9.970 3.986 -11.240 1.00 0.00 H new ATOM 0 HB2 LEU B 211 -9.340 4.034 -8.271 1.00 0.00 H new ATOM 0 HB3 LEU B 211 -8.886 2.652 -9.248 1.00 0.00 H new ATOM 0 HG LEU B 211 -8.099 5.468 -10.031 1.00 0.00 H new ATOM 0 HD11 LEU B 211 -5.921 4.969 -8.893 1.00 0.00 H new ATOM 0 HD12 LEU B 211 -7.264 4.954 -7.725 1.00 0.00 H new ATOM 0 HD13 LEU B 211 -6.586 3.420 -8.322 1.00 0.00 H new ATOM 0 HD21 LEU B 211 -6.280 4.276 -11.215 1.00 0.00 H new ATOM 0 HD22 LEU B 211 -6.908 2.724 -10.613 1.00 0.00 H new ATOM 0 HD23 LEU B 211 -7.877 3.696 -11.744 1.00 0.00 H new ATOM 1914 N VAL B 212 -12.144 2.965 -8.923 1.00 0.00 N ATOM 1915 CA VAL B 212 -13.123 1.923 -8.627 1.00 0.00 C ATOM 1916 C VAL B 212 -14.053 1.807 -9.823 1.00 0.00 C ATOM 1917 O VAL B 212 -14.286 0.708 -10.301 1.00 0.00 O ATOM 1918 CB VAL B 212 -13.894 2.217 -7.328 1.00 0.00 C ATOM 1919 CG1 VAL B 212 -14.859 1.072 -6.988 1.00 0.00 C ATOM 1920 CG2 VAL B 212 -12.927 2.420 -6.153 1.00 0.00 C ATOM 0 H VAL B 212 -12.169 3.760 -8.285 1.00 0.00 H new ATOM 0 HA VAL B 212 -12.615 0.973 -8.460 1.00 0.00 H new ATOM 0 HB VAL B 212 -14.465 3.131 -7.490 1.00 0.00 H new ATOM 0 HG11 VAL B 212 -15.391 1.306 -6.066 1.00 0.00 H new ATOM 0 HG12 VAL B 212 -15.577 0.948 -7.799 1.00 0.00 H new ATOM 0 HG13 VAL B 212 -14.296 0.148 -6.858 1.00 0.00 H new ATOM 0 HG21 VAL B 212 -13.495 2.626 -5.246 1.00 0.00 H new ATOM 0 HG22 VAL B 212 -12.332 1.518 -6.011 1.00 0.00 H new ATOM 0 HG23 VAL B 212 -12.266 3.260 -6.367 1.00 0.00 H new ATOM 1930 N GLU B 213 -14.512 2.940 -10.353 1.00 0.00 N ATOM 1931 CA GLU B 213 -15.403 3.011 -11.498 1.00 0.00 C ATOM 1932 C GLU B 213 -14.825 2.252 -12.694 1.00 0.00 C ATOM 1933 O GLU B 213 -15.547 1.496 -13.348 1.00 0.00 O ATOM 1934 CB GLU B 213 -15.649 4.493 -11.798 1.00 0.00 C ATOM 1935 CG GLU B 213 -16.423 5.156 -10.650 1.00 0.00 C ATOM 1936 CD GLU B 213 -17.807 4.534 -10.454 1.00 0.00 C ATOM 1937 OE1 GLU B 213 -18.527 4.324 -11.458 1.00 0.00 O ATOM 1938 OE2 GLU B 213 -18.121 4.163 -9.301 1.00 0.00 O ATOM 0 H GLU B 213 -14.264 3.857 -9.983 1.00 0.00 H new ATOM 0 HA GLU B 213 -16.355 2.527 -11.281 1.00 0.00 H new ATOM 0 HB2 GLU B 213 -14.697 5.003 -11.944 1.00 0.00 H new ATOM 0 HB3 GLU B 213 -16.210 4.593 -12.727 1.00 0.00 H new ATOM 0 HG2 GLU B 213 -15.851 5.064 -9.727 1.00 0.00 H new ATOM 0 HG3 GLU B 213 -16.530 6.221 -10.854 1.00 0.00 H new ATOM 1945 N GLN B 214 -13.528 2.418 -12.955 1.00 0.00 N ATOM 1946 CA GLN B 214 -12.829 1.751 -14.044 1.00 0.00 C ATOM 1947 C GLN B 214 -12.693 0.260 -13.764 1.00 0.00 C ATOM 1948 O GLN B 214 -12.921 -0.562 -14.647 1.00 0.00 O ATOM 1949 CB GLN B 214 -11.434 2.358 -14.192 1.00 0.00 C ATOM 1950 CG GLN B 214 -11.514 3.747 -14.798 1.00 0.00 C ATOM 1951 CD GLN B 214 -10.116 4.277 -15.082 1.00 0.00 C ATOM 1952 OE1 GLN B 214 -9.478 3.895 -16.063 1.00 0.00 O ATOM 1953 NE2 GLN B 214 -9.609 5.164 -14.238 1.00 0.00 N ATOM 0 H GLN B 214 -12.927 3.031 -12.404 1.00 0.00 H new ATOM 0 HA GLN B 214 -13.402 1.887 -14.961 1.00 0.00 H new ATOM 0 HB2 GLN B 214 -10.949 2.409 -13.217 1.00 0.00 H new ATOM 0 HB3 GLN B 214 -10.818 1.716 -14.822 1.00 0.00 H new ATOM 0 HG2 GLN B 214 -12.094 3.717 -15.721 1.00 0.00 H new ATOM 0 HG3 GLN B 214 -12.035 4.420 -14.116 1.00 0.00 H new ATOM 0 HE21 GLN B 214 -10.153 5.469 -13.431 1.00 0.00 H new ATOM 0 HE22 GLN B 214 -8.675 5.542 -14.396 1.00 0.00 H new ATOM 1962 N TYR B 215 -12.288 -0.086 -12.545 1.00 0.00 N ATOM 1963 CA TYR B 215 -12.126 -1.478 -12.140 1.00 0.00 C ATOM 1964 C TYR B 215 -13.482 -2.204 -12.161 1.00 0.00 C ATOM 1965 O TYR B 215 -13.509 -3.403 -12.436 1.00 0.00 O ATOM 1966 CB TYR B 215 -11.425 -1.584 -10.778 1.00 0.00 C ATOM 1967 CG TYR B 215 -9.966 -1.146 -10.715 1.00 0.00 C ATOM 1968 CD1 TYR B 215 -9.035 -1.568 -11.685 1.00 0.00 C ATOM 1969 CD2 TYR B 215 -9.521 -0.359 -9.634 1.00 0.00 C ATOM 1970 CE1 TYR B 215 -7.687 -1.177 -11.598 1.00 0.00 C ATOM 1971 CE2 TYR B 215 -8.172 0.023 -9.532 1.00 0.00 C ATOM 1972 CZ TYR B 215 -7.251 -0.368 -10.526 1.00 0.00 C ATOM 1973 OH TYR B 215 -5.946 0.009 -10.417 1.00 0.00 O ATOM 0 H TYR B 215 -12.064 0.588 -11.813 1.00 0.00 H new ATOM 0 HA TYR B 215 -11.478 -1.978 -12.860 1.00 0.00 H new ATOM 0 HB2 TYR B 215 -11.989 -0.989 -10.060 1.00 0.00 H new ATOM 0 HB3 TYR B 215 -11.482 -2.621 -10.447 1.00 0.00 H new ATOM 0 HD1 TYR B 215 -9.359 -2.196 -12.501 1.00 0.00 H new ATOM 0 HD2 TYR B 215 -10.224 -0.046 -8.876 1.00 0.00 H new ATOM 0 HE1 TYR B 215 -6.984 -1.496 -12.353 1.00 0.00 H new ATOM 0 HE2 TYR B 215 -7.841 0.616 -8.692 1.00 0.00 H new ATOM 0 HH TYR B 215 -5.832 0.564 -9.618 1.00 0.00 H new ATOM 1983 N THR B 216 -14.603 -1.528 -11.882 1.00 0.00 N ATOM 1984 CA THR B 216 -15.926 -2.148 -11.927 1.00 0.00 C ATOM 1985 C THR B 216 -16.323 -2.393 -13.395 1.00 0.00 C ATOM 1986 O THR B 216 -15.624 -1.960 -14.314 1.00 0.00 O ATOM 1987 CB THR B 216 -16.973 -1.316 -11.157 1.00 0.00 C ATOM 1988 OG1 THR B 216 -16.940 0.070 -11.446 1.00 0.00 O ATOM 1989 CG2 THR B 216 -16.824 -1.514 -9.649 1.00 0.00 C ATOM 0 H THR B 216 -14.616 -0.542 -11.621 1.00 0.00 H new ATOM 0 HA THR B 216 -15.889 -3.112 -11.420 1.00 0.00 H new ATOM 0 HB THR B 216 -17.938 -1.690 -11.499 1.00 0.00 H new ATOM 0 HG1 THR B 216 -16.379 0.227 -12.234 1.00 0.00 H new ATOM 0 HG21 THR B 216 -17.573 -0.917 -9.128 1.00 0.00 H new ATOM 0 HG22 THR B 216 -16.965 -2.567 -9.405 1.00 0.00 H new ATOM 0 HG23 THR B 216 -15.828 -1.199 -9.337 1.00 0.00 H new