USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 433 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 14 TYR OH : rot 75:sc= -6.6! USER MOD Set 1.2: A 38 THR OG1 : rot 88:sc= 1.34 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 0:sc= -2.44! USER MOD Single : A 15 ASN : amide:sc= -2.31! X(o=-2.3!,f=-1.9) USER MOD Single : A 17 ASN : amide:sc= -27.7! C(o=-28!,f=-40!) USER MOD Single : A 20 SER OG : rot 180:sc= -0.149 USER MOD Single : A 24 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.2) USER MOD Single : A 29 ASN : amide:sc= -5.55! C(o=-5.6!,f=-12!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.736 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0765 X(o=-0.076,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= -3.44! USER MOD Single : A 46 ASN :FLIP amide:sc= -0.115 F(o=-0.84,f=-0.11) USER MOD Single : A 57 THR OG1 : rot -75:sc= -9.19! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 160:sc= -18! (180deg=-22.6!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 104 N GLU A 8 5.890 -1.625 9.898 1.00 0.00 N ATOM 105 CA GLU A 8 5.934 -0.350 9.194 1.00 0.00 C ATOM 106 C GLU A 8 4.535 0.089 8.770 1.00 0.00 C ATOM 107 O GLU A 8 3.997 -0.398 7.776 1.00 0.00 O ATOM 108 CB GLU A 8 6.840 -0.455 7.965 1.00 0.00 C ATOM 109 CG GLU A 8 8.081 -1.303 8.196 1.00 0.00 C ATOM 110 CD GLU A 8 8.845 -0.895 9.440 1.00 0.00 C ATOM 111 OE1 GLU A 8 8.480 -1.361 10.540 1.00 0.00 O ATOM 112 OE2 GLU A 8 9.807 -0.109 9.315 1.00 0.00 O ATOM 0 HA GLU A 8 6.339 0.398 9.876 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.269 -0.878 7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.145 0.547 7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.790 -2.350 8.280 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.737 -1.223 7.329 1.00 0.00 H new ATOM 119 N LYS A 9 3.952 1.011 9.531 1.00 0.00 N ATOM 120 CA LYS A 9 2.616 1.513 9.232 1.00 0.00 C ATOM 121 C LYS A 9 2.649 3.011 8.936 1.00 0.00 C ATOM 122 O LYS A 9 2.992 3.819 9.798 1.00 0.00 O ATOM 123 CB LYS A 9 1.658 1.214 10.393 1.00 0.00 C ATOM 124 CG LYS A 9 1.510 2.355 11.392 1.00 0.00 C ATOM 125 CD LYS A 9 0.540 3.413 10.892 1.00 0.00 C ATOM 126 CE LYS A 9 0.960 4.806 11.330 1.00 0.00 C ATOM 127 NZ LYS A 9 -0.105 5.486 12.119 1.00 0.00 N ATOM 0 H LYS A 9 4.383 1.425 10.358 1.00 0.00 H new ATOM 0 HA LYS A 9 2.252 1.001 8.341 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.676 0.973 9.986 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.010 0.328 10.921 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.160 1.961 12.346 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.484 2.810 11.573 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.486 3.373 9.804 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.460 3.198 11.269 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.869 4.740 11.929 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.200 5.406 10.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.221 6.433 12.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.964 5.573 11.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.316 4.928 12.970 1.00 0.00 H new ATOM 141 N LYS A 10 2.280 3.372 7.712 1.00 0.00 N ATOM 142 CA LYS A 10 2.257 4.770 7.301 1.00 0.00 C ATOM 143 C LYS A 10 0.881 5.134 6.766 1.00 0.00 C ATOM 144 O LYS A 10 -0.106 4.468 7.075 1.00 0.00 O ATOM 145 CB LYS A 10 3.324 5.043 6.238 1.00 0.00 C ATOM 146 CG LYS A 10 4.282 6.154 6.623 1.00 0.00 C ATOM 147 CD LYS A 10 4.711 6.020 8.074 1.00 0.00 C ATOM 148 CE LYS A 10 6.157 6.447 8.272 1.00 0.00 C ATOM 149 NZ LYS A 10 6.362 7.128 9.580 1.00 0.00 N ATOM 0 H LYS A 10 1.993 2.715 6.987 1.00 0.00 H new ATOM 0 HA LYS A 10 2.476 5.387 8.172 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.891 4.129 6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.834 5.304 5.300 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.159 6.124 5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.804 7.122 6.468 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.062 6.629 8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.589 4.986 8.396 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.805 5.572 8.213 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.451 7.117 7.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.360 7.403 9.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.763 7.977 9.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.106 6.480 10.352 1.00 0.00 H new ATOM 163 N GLU A 11 0.816 6.182 5.954 1.00 0.00 N ATOM 164 CA GLU A 11 -0.451 6.603 5.381 1.00 0.00 C ATOM 165 C GLU A 11 -0.684 5.910 4.048 1.00 0.00 C ATOM 166 O GLU A 11 0.199 5.880 3.191 1.00 0.00 O ATOM 167 CB GLU A 11 -0.488 8.117 5.192 1.00 0.00 C ATOM 168 CG GLU A 11 -0.493 8.894 6.497 1.00 0.00 C ATOM 169 CD GLU A 11 0.544 10.001 6.520 1.00 0.00 C ATOM 170 OE1 GLU A 11 1.472 9.961 5.685 1.00 0.00 O ATOM 171 OE2 GLU A 11 0.426 10.906 7.372 1.00 0.00 O ATOM 0 H GLU A 11 1.618 6.749 5.681 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.244 6.322 6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.376 8.422 4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.376 8.381 4.618 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.482 9.324 6.656 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.307 8.209 7.324 1.00 0.00 H new ATOM 178 N CYS A 12 -1.878 5.361 3.875 1.00 0.00 N ATOM 179 CA CYS A 12 -2.217 4.678 2.641 1.00 0.00 C ATOM 180 C CYS A 12 -2.648 5.690 1.592 1.00 0.00 C ATOM 181 O CYS A 12 -3.428 6.598 1.875 1.00 0.00 O ATOM 182 CB CYS A 12 -3.322 3.647 2.878 1.00 0.00 C ATOM 183 SG CYS A 12 -3.721 2.638 1.416 1.00 0.00 S ATOM 0 H CYS A 12 -2.623 5.376 4.572 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.335 4.149 2.281 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.020 2.987 3.691 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.223 4.165 3.206 1.00 0.00 H new ATOM 188 N TYR A 13 -2.116 5.540 0.387 1.00 0.00 N ATOM 189 CA TYR A 13 -2.429 6.444 -0.710 1.00 0.00 C ATOM 190 C TYR A 13 -3.318 5.714 -1.736 1.00 0.00 C ATOM 191 O TYR A 13 -3.038 4.569 -2.092 1.00 0.00 O ATOM 192 CB TYR A 13 -1.120 6.947 -1.361 1.00 0.00 C ATOM 193 CG TYR A 13 -0.292 7.913 -0.501 1.00 0.00 C ATOM 194 CD1 TYR A 13 -0.283 7.785 0.882 1.00 0.00 C ATOM 195 CD2 TYR A 13 0.454 8.975 -1.056 1.00 0.00 C ATOM 196 CE1 TYR A 13 0.427 8.657 1.684 1.00 0.00 C ATOM 197 CE2 TYR A 13 1.154 9.849 -0.252 1.00 0.00 C ATOM 198 CZ TYR A 13 1.137 9.689 1.115 1.00 0.00 C ATOM 199 OH TYR A 13 1.836 10.563 1.914 1.00 0.00 O ATOM 0 H TYR A 13 -1.462 4.796 0.144 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.975 7.310 -0.335 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.501 6.084 -1.608 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.367 7.442 -2.300 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.844 6.985 1.341 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.477 9.105 -2.128 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.425 8.529 2.756 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.715 10.659 -0.694 1.00 0.00 H new ATOM 0 HH TYR A 13 1.722 10.310 2.854 1.00 0.00 H new ATOM 209 N TYR A 14 -4.409 6.357 -2.178 1.00 0.00 N ATOM 210 CA TYR A 14 -5.342 5.736 -3.135 1.00 0.00 C ATOM 211 C TYR A 14 -5.488 6.561 -4.424 1.00 0.00 C ATOM 212 O TYR A 14 -6.574 6.647 -4.998 1.00 0.00 O ATOM 213 CB TYR A 14 -6.715 5.571 -2.486 1.00 0.00 C ATOM 214 CG TYR A 14 -6.999 4.184 -1.948 1.00 0.00 C ATOM 215 CD1 TYR A 14 -5.989 3.239 -1.790 1.00 0.00 C ATOM 216 CD2 TYR A 14 -8.292 3.823 -1.592 1.00 0.00 C ATOM 217 CE1 TYR A 14 -6.263 1.980 -1.291 1.00 0.00 C ATOM 218 CE2 TYR A 14 -8.572 2.567 -1.093 1.00 0.00 C ATOM 219 CZ TYR A 14 -7.556 1.651 -0.944 1.00 0.00 C ATOM 220 OH TYR A 14 -7.834 0.402 -0.445 1.00 0.00 O ATOM 0 H TYR A 14 -4.668 7.301 -1.891 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.929 4.764 -3.405 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.804 6.288 -1.670 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.481 5.825 -3.219 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.975 3.494 -2.062 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.093 4.538 -1.708 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.469 1.258 -1.173 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.584 2.304 -0.821 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.522 0.343 0.482 1.00 0.00 H new ATOM 230 N ASN A 15 -4.393 7.170 -4.855 1.00 0.00 N ATOM 231 CA ASN A 15 -4.361 8.009 -6.060 1.00 0.00 C ATOM 232 C ASN A 15 -3.269 9.037 -5.855 1.00 0.00 C ATOM 233 O ASN A 15 -3.500 10.242 -5.886 1.00 0.00 O ATOM 234 CB ASN A 15 -5.710 8.694 -6.290 1.00 0.00 C ATOM 235 CG ASN A 15 -6.548 7.983 -7.334 1.00 0.00 C ATOM 236 OD1 ASN A 15 -6.105 7.771 -8.464 1.00 0.00 O ATOM 237 ND2 ASN A 15 -7.768 7.611 -6.963 1.00 0.00 N ATOM 0 H ASN A 15 -3.493 7.100 -4.381 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.162 7.401 -6.942 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.260 8.731 -5.350 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.543 9.725 -6.603 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -8.378 7.130 -7.624 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -8.095 7.806 -6.017 1.00 0.00 H new ATOM 244 N LEU A 16 -2.123 8.496 -5.478 1.00 0.00 N ATOM 245 CA LEU A 16 -0.958 9.236 -5.044 1.00 0.00 C ATOM 246 C LEU A 16 0.035 9.779 -6.024 1.00 0.00 C ATOM 247 O LEU A 16 0.331 10.970 -5.962 1.00 0.00 O ATOM 248 CB LEU A 16 -0.179 8.379 -4.065 1.00 0.00 C ATOM 249 CG LEU A 16 -0.232 6.841 -4.209 1.00 0.00 C ATOM 250 CD1 LEU A 16 -0.156 6.346 -5.645 1.00 0.00 C ATOM 251 CD2 LEU A 16 0.897 6.218 -3.415 1.00 0.00 C ATOM 0 H LEU A 16 -1.976 7.487 -5.467 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.428 10.139 -4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.867 8.679 -4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.525 8.628 -3.062 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.206 6.538 -3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.200 5.257 -5.657 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.994 6.749 -6.214 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.780 6.677 -6.095 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.859 5.133 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.852 6.584 -3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.794 6.487 -2.364 1.00 0.00 H new ATOM 263 N ASN A 17 0.680 8.956 -6.784 1.00 0.00 N ATOM 264 CA ASN A 17 1.760 9.470 -7.572 1.00 0.00 C ATOM 265 C ASN A 17 2.512 8.373 -8.350 1.00 0.00 C ATOM 266 O ASN A 17 2.055 7.885 -9.384 1.00 0.00 O ATOM 267 CB ASN A 17 2.697 10.122 -6.543 1.00 0.00 C ATOM 268 CG ASN A 17 2.801 9.286 -5.263 1.00 0.00 C ATOM 269 OD1 ASN A 17 3.169 9.796 -4.213 1.00 0.00 O ATOM 270 ND2 ASN A 17 2.499 7.982 -5.359 1.00 0.00 N ATOM 0 H ASN A 17 0.491 7.958 -6.878 1.00 0.00 H new ATOM 0 HA ASN A 17 1.394 10.159 -8.333 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.688 10.244 -6.979 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.331 11.119 -6.298 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.573 7.380 -4.539 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.196 7.593 -6.252 1.00 0.00 H new ATOM 277 N ASP A 18 3.681 8.011 -7.812 1.00 0.00 N ATOM 278 CA ASP A 18 4.565 7.007 -8.362 1.00 0.00 C ATOM 279 C ASP A 18 5.822 6.983 -7.493 1.00 0.00 C ATOM 280 O ASP A 18 6.940 6.840 -7.986 1.00 0.00 O ATOM 281 CB ASP A 18 4.922 7.330 -9.815 1.00 0.00 C ATOM 282 CG ASP A 18 4.864 6.107 -10.709 1.00 0.00 C ATOM 283 OD1 ASP A 18 4.466 5.030 -10.216 1.00 0.00 O ATOM 284 OD2 ASP A 18 5.216 6.225 -11.901 1.00 0.00 O ATOM 0 H ASP A 18 4.040 8.429 -6.954 1.00 0.00 H new ATOM 0 HA ASP A 18 4.078 6.032 -8.362 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.237 8.088 -10.195 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.924 7.758 -9.854 1.00 0.00 H new ATOM 289 N ALA A 19 5.609 7.173 -6.184 1.00 0.00 N ATOM 290 CA ALA A 19 6.688 7.228 -5.206 1.00 0.00 C ATOM 291 C ALA A 19 7.594 8.425 -5.475 1.00 0.00 C ATOM 292 O ALA A 19 8.820 8.311 -5.444 1.00 0.00 O ATOM 293 CB ALA A 19 7.484 5.932 -5.188 1.00 0.00 C ATOM 0 H ALA A 19 4.680 7.292 -5.779 1.00 0.00 H new ATOM 0 HA ALA A 19 6.243 7.352 -4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.281 6.005 -4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.824 5.103 -4.930 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.918 5.758 -6.173 1.00 0.00 H new ATOM 299 N SER A 20 6.975 9.578 -5.735 1.00 0.00 N ATOM 300 CA SER A 20 7.724 10.808 -6.005 1.00 0.00 C ATOM 301 C SER A 20 6.815 11.939 -6.508 1.00 0.00 C ATOM 302 O SER A 20 7.251 12.795 -7.278 1.00 0.00 O ATOM 303 CB SER A 20 8.825 10.534 -7.030 1.00 0.00 C ATOM 304 OG SER A 20 8.382 9.622 -8.022 1.00 0.00 O ATOM 0 H SER A 20 5.961 9.686 -5.764 1.00 0.00 H new ATOM 0 HA SER A 20 8.167 11.134 -5.064 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.129 11.469 -7.501 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.703 10.130 -6.526 1.00 0.00 H new ATOM 0 HG SER A 20 9.103 9.464 -8.666 1.00 0.00 H new ATOM 310 N LEU A 21 5.558 11.939 -6.067 1.00 0.00 N ATOM 311 CA LEU A 21 4.595 12.968 -6.474 1.00 0.00 C ATOM 312 C LEU A 21 3.518 13.190 -5.388 1.00 0.00 C ATOM 313 O LEU A 21 2.949 14.275 -5.279 1.00 0.00 O ATOM 314 CB LEU A 21 3.973 12.619 -7.836 1.00 0.00 C ATOM 315 CG LEU A 21 4.917 11.922 -8.838 1.00 0.00 C ATOM 316 CD1 LEU A 21 5.141 10.457 -8.486 1.00 0.00 C ATOM 317 CD2 LEU A 21 4.355 12.021 -10.247 1.00 0.00 C ATOM 0 H LEU A 21 5.180 11.239 -5.428 1.00 0.00 H new ATOM 0 HA LEU A 21 5.130 13.911 -6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.110 11.974 -7.667 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.601 13.537 -8.292 1.00 0.00 H new ATOM 0 HG LEU A 21 5.878 12.434 -8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.811 10.005 -9.217 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.585 10.385 -7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.187 9.931 -8.495 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.031 11.525 -10.944 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.378 11.539 -10.284 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.253 13.070 -10.525 1.00 0.00 H new ATOM 329 N CYS A 22 3.300 12.167 -4.551 1.00 0.00 N ATOM 330 CA CYS A 22 2.363 12.213 -3.412 1.00 0.00 C ATOM 331 C CYS A 22 0.949 12.715 -3.724 1.00 0.00 C ATOM 332 O CYS A 22 0.729 13.913 -3.909 1.00 0.00 O ATOM 333 CB CYS A 22 2.948 13.062 -2.270 1.00 0.00 C ATOM 334 SG CYS A 22 4.201 14.291 -2.773 1.00 0.00 S ATOM 0 H CYS A 22 3.775 11.269 -4.644 1.00 0.00 H new ATOM 0 HA CYS A 22 2.249 11.168 -3.125 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.131 13.584 -1.772 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.394 12.393 -1.534 1.00 0.00 H new ATOM 339 N ASP A 23 -0.020 11.787 -3.697 1.00 0.00 N ATOM 340 CA ASP A 23 -1.430 12.134 -3.886 1.00 0.00 C ATOM 341 C ASP A 23 -2.359 11.151 -3.126 1.00 0.00 C ATOM 342 O ASP A 23 -2.842 10.129 -3.674 1.00 0.00 O ATOM 343 CB ASP A 23 -1.798 12.221 -5.369 1.00 0.00 C ATOM 344 CG ASP A 23 -3.196 12.766 -5.584 1.00 0.00 C ATOM 345 OD1 ASP A 23 -3.696 13.488 -4.696 1.00 0.00 O ATOM 346 OD2 ASP A 23 -3.793 12.469 -6.641 1.00 0.00 O ATOM 0 H ASP A 23 0.151 10.793 -3.546 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.581 13.126 -3.459 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.079 12.859 -5.883 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.723 11.231 -5.818 1.00 0.00 H new ATOM 351 N ASN A 24 -2.592 11.454 -1.857 1.00 0.00 N ATOM 352 CA ASN A 24 -3.439 10.624 -1.016 1.00 0.00 C ATOM 353 C ASN A 24 -4.899 10.980 -1.247 1.00 0.00 C ATOM 354 O ASN A 24 -5.222 11.713 -2.182 1.00 0.00 O ATOM 355 CB ASN A 24 -3.079 10.811 0.459 1.00 0.00 C ATOM 356 CG ASN A 24 -3.688 12.068 1.048 1.00 0.00 C ATOM 357 OD1 ASN A 24 -3.536 13.161 0.501 1.00 0.00 O ATOM 358 ND2 ASN A 24 -4.381 11.919 2.170 1.00 0.00 N ATOM 0 H ASN A 24 -2.204 12.272 -1.387 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.279 9.579 -1.280 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.421 9.945 1.026 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.995 10.853 0.563 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.813 12.729 2.614 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.481 10.994 2.589 1.00 0.00 H new ATOM 365 N VAL A 25 -5.782 10.469 -0.398 1.00 0.00 N ATOM 366 CA VAL A 25 -7.202 10.761 -0.542 1.00 0.00 C ATOM 367 C VAL A 25 -8.073 9.768 0.236 1.00 0.00 C ATOM 368 O VAL A 25 -8.336 9.966 1.423 1.00 0.00 O ATOM 369 CB VAL A 25 -7.604 10.773 -2.034 1.00 0.00 C ATOM 370 CG1 VAL A 25 -6.866 9.683 -2.798 1.00 0.00 C ATOM 371 CG2 VAL A 25 -9.111 10.636 -2.200 1.00 0.00 C ATOM 0 H VAL A 25 -5.545 9.860 0.385 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.374 11.751 -0.119 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.314 11.736 -2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.163 9.709 -3.846 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.791 9.849 -2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.114 8.710 -2.374 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.363 10.648 -3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.442 9.696 -1.759 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.609 11.466 -1.700 1.00 0.00 H new ATOM 381 N LEU A 26 -8.531 8.716 -0.436 1.00 0.00 N ATOM 382 CA LEU A 26 -9.384 7.713 0.195 1.00 0.00 C ATOM 383 C LEU A 26 -8.571 6.527 0.702 1.00 0.00 C ATOM 384 O LEU A 26 -8.860 5.381 0.363 1.00 0.00 O ATOM 385 CB LEU A 26 -10.433 7.221 -0.803 1.00 0.00 C ATOM 386 CG LEU A 26 -11.836 7.799 -0.614 1.00 0.00 C ATOM 387 CD1 LEU A 26 -11.764 9.280 -0.274 1.00 0.00 C ATOM 388 CD2 LEU A 26 -12.674 7.579 -1.864 1.00 0.00 C ATOM 0 H LEU A 26 -8.326 8.535 -1.419 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.874 8.181 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.092 7.460 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.493 6.135 -0.736 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.313 7.280 0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.772 9.673 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.200 9.414 0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.268 9.815 -1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -13.670 7.996 -1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.199 8.072 -2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.755 6.511 -2.064 1.00 0.00 H new ATOM 400 N ALA A 27 -7.559 6.801 1.514 1.00 0.00 N ATOM 401 CA ALA A 27 -6.721 5.744 2.053 1.00 0.00 C ATOM 402 C ALA A 27 -6.211 6.103 3.449 1.00 0.00 C ATOM 403 O ALA A 27 -5.651 7.180 3.659 1.00 0.00 O ATOM 404 CB ALA A 27 -5.575 5.461 1.098 1.00 0.00 C ATOM 0 H ALA A 27 -7.301 7.742 1.812 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.318 4.838 2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.949 4.668 1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.974 5.148 0.133 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.978 6.364 0.968 1.00 0.00 H new ATOM 410 N PRO A 28 -6.422 5.205 4.427 1.00 0.00 N ATOM 411 CA PRO A 28 -6.013 5.415 5.824 1.00 0.00 C ATOM 412 C PRO A 28 -4.569 5.005 6.096 1.00 0.00 C ATOM 413 O PRO A 28 -3.892 4.468 5.224 1.00 0.00 O ATOM 414 CB PRO A 28 -6.959 4.481 6.567 1.00 0.00 C ATOM 415 CG PRO A 28 -7.091 3.319 5.643 1.00 0.00 C ATOM 416 CD PRO A 28 -7.105 3.907 4.254 1.00 0.00 C ATOM 0 HA PRO A 28 -6.061 6.464 6.115 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.552 4.182 7.533 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.922 4.954 6.759 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.261 2.624 5.766 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.006 2.761 5.842 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.582 3.269 3.542 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.121 4.034 3.881 1.00 0.00 H new ATOM 424 N ASN A 29 -4.110 5.240 7.324 1.00 0.00 N ATOM 425 CA ASN A 29 -2.754 4.869 7.712 1.00 0.00 C ATOM 426 C ASN A 29 -2.743 3.452 8.266 1.00 0.00 C ATOM 427 O ASN A 29 -3.404 3.157 9.261 1.00 0.00 O ATOM 428 CB ASN A 29 -2.195 5.838 8.754 1.00 0.00 C ATOM 429 CG ASN A 29 -2.875 7.194 8.707 1.00 0.00 C ATOM 430 OD1 ASN A 29 -2.348 8.146 8.131 1.00 0.00 O ATOM 431 ND2 ASN A 29 -4.050 7.288 9.316 1.00 0.00 N ATOM 0 H ASN A 29 -4.656 5.684 8.063 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.121 4.918 6.826 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.317 5.408 9.748 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.125 5.965 8.590 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.553 8.175 9.319 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.450 6.473 9.781 1.00 0.00 H new ATOM 438 N VAL A 30 -2.005 2.571 7.603 1.00 0.00 N ATOM 439 CA VAL A 30 -1.928 1.181 8.021 1.00 0.00 C ATOM 440 C VAL A 30 -0.591 0.564 7.641 1.00 0.00 C ATOM 441 O VAL A 30 0.396 1.270 7.445 1.00 0.00 O ATOM 442 CB VAL A 30 -3.060 0.357 7.375 1.00 0.00 C ATOM 443 CG1 VAL A 30 -4.387 1.088 7.493 1.00 0.00 C ATOM 444 CG2 VAL A 30 -2.741 0.065 5.916 1.00 0.00 C ATOM 0 H VAL A 30 -1.453 2.796 6.775 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.032 1.163 9.106 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.141 -0.591 7.907 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.174 0.491 7.031 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.622 1.247 8.545 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.318 2.051 6.987 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.551 -0.517 5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.632 1.004 5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.811 -0.501 5.853 1.00 0.00 H new ATOM 454 N THR A 31 -0.575 -0.757 7.519 1.00 0.00 N ATOM 455 CA THR A 31 0.630 -1.475 7.137 1.00 0.00 C ATOM 456 C THR A 31 0.573 -1.822 5.654 1.00 0.00 C ATOM 457 O THR A 31 -0.383 -2.444 5.192 1.00 0.00 O ATOM 458 CB THR A 31 0.791 -2.746 7.972 1.00 0.00 C ATOM 459 OG1 THR A 31 -0.417 -3.064 8.640 1.00 0.00 O ATOM 460 CG2 THR A 31 1.881 -2.639 9.018 1.00 0.00 C ATOM 0 H THR A 31 -1.387 -1.353 7.680 1.00 0.00 H new ATOM 0 HA THR A 31 1.492 -0.835 7.323 1.00 0.00 H new ATOM 0 HB THR A 31 1.066 -3.526 7.262 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.294 -3.881 9.167 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.943 -3.574 9.575 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.836 -2.443 8.530 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.649 -1.823 9.703 1.00 0.00 H new ATOM 468 N LYS A 32 1.593 -1.398 4.915 1.00 0.00 N ATOM 469 CA LYS A 32 1.666 -1.642 3.477 1.00 0.00 C ATOM 470 C LYS A 32 0.953 -2.931 3.088 1.00 0.00 C ATOM 471 O LYS A 32 0.183 -2.961 2.128 1.00 0.00 O ATOM 472 CB LYS A 32 3.124 -1.710 3.037 1.00 0.00 C ATOM 473 CG LYS A 32 3.996 -2.546 3.957 1.00 0.00 C ATOM 474 CD LYS A 32 5.408 -1.992 4.041 1.00 0.00 C ATOM 475 CE LYS A 32 5.922 -1.566 2.676 1.00 0.00 C ATOM 476 NZ LYS A 32 7.360 -1.178 2.720 1.00 0.00 N ATOM 0 H LYS A 32 2.387 -0.880 5.291 1.00 0.00 H new ATOM 0 HA LYS A 32 1.165 -0.815 2.973 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.172 -2.123 2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.528 -0.699 2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.555 -2.573 4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.028 -3.574 3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.425 -1.139 4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.072 -2.748 4.461 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.788 -2.383 1.967 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.330 -0.726 2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.672 -0.894 1.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.485 -0.382 3.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.928 -1.987 3.044 1.00 0.00 H new ATOM 490 N GLN A 33 1.214 -3.994 3.837 1.00 0.00 N ATOM 491 CA GLN A 33 0.598 -5.284 3.568 1.00 0.00 C ATOM 492 C GLN A 33 -0.913 -5.146 3.418 1.00 0.00 C ATOM 493 O GLN A 33 -1.502 -5.669 2.473 1.00 0.00 O ATOM 494 CB GLN A 33 0.925 -6.272 4.689 1.00 0.00 C ATOM 495 CG GLN A 33 2.415 -6.511 4.870 1.00 0.00 C ATOM 496 CD GLN A 33 2.772 -7.985 4.875 1.00 0.00 C ATOM 497 OE1 GLN A 33 3.341 -8.494 5.840 1.00 0.00 O ATOM 498 NE2 GLN A 33 2.439 -8.679 3.793 1.00 0.00 N ATOM 0 H GLN A 33 1.848 -3.987 4.636 1.00 0.00 H new ATOM 0 HA GLN A 33 1.003 -5.663 2.630 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.509 -5.899 5.625 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.435 -7.223 4.479 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.959 -6.012 4.069 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.741 -6.059 5.807 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.968 -8.217 3.015 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.654 -9.675 3.739 1.00 0.00 H new ATOM 507 N GLU A 34 -1.536 -4.441 4.359 1.00 0.00 N ATOM 508 CA GLU A 34 -2.980 -4.235 4.337 1.00 0.00 C ATOM 509 C GLU A 34 -3.385 -3.222 3.268 1.00 0.00 C ATOM 510 O GLU A 34 -4.134 -3.545 2.343 1.00 0.00 O ATOM 511 CB GLU A 34 -3.466 -3.763 5.708 1.00 0.00 C ATOM 512 CG GLU A 34 -2.644 -4.309 6.864 1.00 0.00 C ATOM 513 CD GLU A 34 -2.406 -5.802 6.755 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.294 -6.509 6.234 1.00 0.00 O ATOM 515 OE2 GLU A 34 -1.331 -6.266 7.192 1.00 0.00 O ATOM 0 H GLU A 34 -1.061 -4.002 5.148 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.447 -5.189 4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.442 -2.674 5.738 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.506 -4.062 5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.684 -3.793 6.898 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.155 -4.094 7.802 1.00 0.00 H new ATOM 522 N CYS A 35 -2.891 -1.996 3.405 1.00 0.00 N ATOM 523 CA CYS A 35 -3.209 -0.936 2.456 1.00 0.00 C ATOM 524 C CYS A 35 -3.061 -1.424 1.017 1.00 0.00 C ATOM 525 O CYS A 35 -4.012 -1.380 0.238 1.00 0.00 O ATOM 526 CB CYS A 35 -2.313 0.280 2.701 1.00 0.00 C ATOM 527 SG CYS A 35 -2.135 1.382 1.258 1.00 0.00 S ATOM 0 H CYS A 35 -2.270 -1.712 4.163 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.248 -0.645 2.608 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.719 0.854 3.534 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.325 -0.066 3.004 1.00 0.00 H new ATOM 532 N CYS A 36 -1.865 -1.885 0.671 1.00 0.00 N ATOM 533 CA CYS A 36 -1.601 -2.376 -0.676 1.00 0.00 C ATOM 534 C CYS A 36 -2.598 -3.461 -1.066 1.00 0.00 C ATOM 535 O CYS A 36 -3.247 -3.375 -2.108 1.00 0.00 O ATOM 536 CB CYS A 36 -0.178 -2.925 -0.770 1.00 0.00 C ATOM 537 SG CYS A 36 1.115 -1.643 -0.883 1.00 0.00 S ATOM 0 H CYS A 36 -1.065 -1.929 1.302 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.710 -1.540 -1.367 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.018 -3.546 0.104 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.108 -3.573 -1.644 1.00 0.00 H new ATOM 542 N CYS A 37 -2.711 -4.484 -0.227 1.00 0.00 N ATOM 543 CA CYS A 37 -3.627 -5.589 -0.486 1.00 0.00 C ATOM 544 C CYS A 37 -4.922 -5.093 -1.121 1.00 0.00 C ATOM 545 O CYS A 37 -5.424 -5.691 -2.072 1.00 0.00 O ATOM 546 CB CYS A 37 -3.944 -6.332 0.813 1.00 0.00 C ATOM 547 SG CYS A 37 -3.564 -8.112 0.763 1.00 0.00 S ATOM 0 H CYS A 37 -2.179 -4.572 0.639 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.138 -6.270 -1.183 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.382 -5.874 1.627 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.002 -6.204 1.044 1.00 0.00 H new ATOM 552 N THR A 38 -5.461 -4.001 -0.589 1.00 0.00 N ATOM 553 CA THR A 38 -6.700 -3.436 -1.109 1.00 0.00 C ATOM 554 C THR A 38 -6.564 -3.103 -2.589 1.00 0.00 C ATOM 555 O THR A 38 -7.508 -3.269 -3.358 1.00 0.00 O ATOM 556 CB THR A 38 -7.086 -2.182 -0.328 1.00 0.00 C ATOM 557 OG1 THR A 38 -6.500 -2.193 0.961 1.00 0.00 O ATOM 558 CG2 THR A 38 -8.582 -2.027 -0.153 1.00 0.00 C ATOM 0 H THR A 38 -5.061 -3.492 0.199 1.00 0.00 H new ATOM 0 HA THR A 38 -7.486 -4.182 -0.991 1.00 0.00 H new ATOM 0 HB THR A 38 -6.716 -1.345 -0.920 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.611 -1.783 0.920 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.790 -1.117 0.410 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.058 -1.965 -1.131 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.976 -2.887 0.389 1.00 0.00 H new ATOM 566 N SER A 39 -5.379 -2.635 -2.973 1.00 0.00 N ATOM 567 CA SER A 39 -5.097 -2.277 -4.360 1.00 0.00 C ATOM 568 C SER A 39 -5.687 -0.918 -4.706 1.00 0.00 C ATOM 569 O SER A 39 -6.897 -0.794 -4.900 1.00 0.00 O ATOM 570 CB SER A 39 -5.652 -3.337 -5.316 1.00 0.00 C ATOM 571 OG SER A 39 -5.304 -3.045 -6.657 1.00 0.00 O ATOM 0 H SER A 39 -4.594 -2.494 -2.338 1.00 0.00 H new ATOM 0 HA SER A 39 -4.014 -2.226 -4.473 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.264 -4.318 -5.041 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.737 -3.385 -5.221 1.00 0.00 H new ATOM 0 HG SER A 39 -5.668 -3.737 -7.248 1.00 0.00 H new ATOM 577 N GLY A 40 -4.841 0.108 -4.781 1.00 0.00 N ATOM 578 CA GLY A 40 -5.346 1.426 -5.101 1.00 0.00 C ATOM 579 C GLY A 40 -4.306 2.413 -5.614 1.00 0.00 C ATOM 580 O GLY A 40 -4.502 3.026 -6.663 1.00 0.00 O ATOM 0 H GLY A 40 -3.834 0.050 -4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.129 1.325 -5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.812 1.845 -4.209 1.00 0.00 H new ATOM 584 N ALA A 41 -3.225 2.611 -4.863 1.00 0.00 N ATOM 585 CA ALA A 41 -2.203 3.580 -5.252 1.00 0.00 C ATOM 586 C ALA A 41 -0.829 3.224 -4.706 1.00 0.00 C ATOM 587 O ALA A 41 0.063 2.836 -5.457 1.00 0.00 O ATOM 588 CB ALA A 41 -2.631 4.957 -4.786 1.00 0.00 C ATOM 0 H ALA A 41 -3.035 2.119 -3.990 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.112 3.567 -6.338 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.875 5.689 -5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.582 5.219 -5.249 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.744 4.955 -3.702 1.00 0.00 H new ATOM 594 N GLY A 42 -0.663 3.385 -3.396 1.00 0.00 N ATOM 595 CA GLY A 42 0.612 3.097 -2.768 1.00 0.00 C ATOM 596 C GLY A 42 0.569 3.238 -1.260 1.00 0.00 C ATOM 597 O GLY A 42 -0.419 3.717 -0.704 1.00 0.00 O ATOM 0 H GLY A 42 -1.390 3.710 -2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.917 2.083 -3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.370 3.770 -3.170 1.00 0.00 H new ATOM 601 N TRP A 43 1.641 2.815 -0.599 1.00 0.00 N ATOM 602 CA TRP A 43 1.718 2.894 0.857 1.00 0.00 C ATOM 603 C TRP A 43 3.049 3.474 1.316 1.00 0.00 C ATOM 604 O TRP A 43 4.111 2.943 1.000 1.00 0.00 O ATOM 605 CB TRP A 43 1.532 1.515 1.485 1.00 0.00 C ATOM 606 CG TRP A 43 1.739 1.522 2.967 1.00 0.00 C ATOM 607 CD1 TRP A 43 0.771 1.589 3.926 1.00 0.00 C ATOM 608 CD2 TRP A 43 2.992 1.473 3.662 1.00 0.00 C ATOM 609 NE1 TRP A 43 1.342 1.580 5.173 1.00 0.00 N ATOM 610 CE2 TRP A 43 2.704 1.507 5.038 1.00 0.00 C ATOM 611 CE3 TRP A 43 4.329 1.396 3.257 1.00 0.00 C ATOM 612 CZ2 TRP A 43 3.701 1.472 6.007 1.00 0.00 C ATOM 613 CZ3 TRP A 43 5.315 1.359 4.222 1.00 0.00 C ATOM 614 CH2 TRP A 43 4.997 1.397 5.581 1.00 0.00 C ATOM 0 H TRP A 43 2.466 2.415 -1.045 1.00 0.00 H new ATOM 0 HA TRP A 43 0.915 3.555 1.183 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.528 1.152 1.264 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.231 0.815 1.028 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.290 1.641 3.732 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.835 1.621 6.057 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.585 1.366 2.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.459 1.503 7.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.350 1.300 3.921 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.792 1.366 6.311 1.00 0.00 H new ATOM 625 N GLY A 44 2.980 4.569 2.060 1.00 0.00 N ATOM 626 CA GLY A 44 4.181 5.202 2.553 1.00 0.00 C ATOM 627 C GLY A 44 3.904 6.541 3.188 1.00 0.00 C ATOM 628 O GLY A 44 2.807 6.787 3.695 1.00 0.00 O ATOM 0 H GLY A 44 2.111 5.029 2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.660 4.549 3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.885 5.331 1.731 1.00 0.00 H new ATOM 632 N ASP A 45 4.902 7.405 3.161 1.00 0.00 N ATOM 633 CA ASP A 45 4.769 8.730 3.733 1.00 0.00 C ATOM 634 C ASP A 45 4.528 9.761 2.634 1.00 0.00 C ATOM 635 O ASP A 45 4.252 9.405 1.488 1.00 0.00 O ATOM 636 CB ASP A 45 6.003 9.081 4.569 1.00 0.00 C ATOM 637 CG ASP A 45 7.253 8.344 4.124 1.00 0.00 C ATOM 638 OD1 ASP A 45 7.175 7.120 3.892 1.00 0.00 O ATOM 639 OD2 ASP A 45 8.315 8.994 4.018 1.00 0.00 O ATOM 0 H ASP A 45 5.814 7.212 2.748 1.00 0.00 H new ATOM 0 HA ASP A 45 3.905 8.741 4.397 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.181 10.155 4.510 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.804 8.848 5.615 1.00 0.00 H new ATOM 644 N ASN A 46 4.608 11.036 2.988 1.00 0.00 N ATOM 645 CA ASN A 46 4.368 12.109 2.026 1.00 0.00 C ATOM 646 C ASN A 46 5.361 12.076 0.866 1.00 0.00 C ATOM 647 O ASN A 46 6.486 12.560 0.982 1.00 0.00 O ATOM 648 CB ASN A 46 4.424 13.471 2.720 1.00 0.00 C ATOM 649 CG ASN A 46 4.106 14.615 1.774 1.00 0.00 C ATOM 650 OD1 ASN A 46 3.138 14.409 0.885 1.00 0.00 O flip ATOM 651 ND2 ASN A 46 4.725 15.678 1.842 1.00 0.00 N flip ATOM 0 H ASN A 46 4.836 11.355 3.930 1.00 0.00 H new ATOM 0 HA ASN A 46 3.372 11.952 1.613 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.718 13.482 3.550 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.417 13.619 3.144 1.00 0.00 H new ATOM 0 HD21 ASN A 46 5.461 15.796 2.538 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.502 16.440 1.202 1.00 0.00 H new ATOM 658 N CYS A 47 4.920 11.522 -0.260 1.00 0.00 N ATOM 659 CA CYS A 47 5.749 11.444 -1.458 1.00 0.00 C ATOM 660 C CYS A 47 6.690 10.246 -1.416 1.00 0.00 C ATOM 661 O CYS A 47 7.294 9.883 -2.426 1.00 0.00 O ATOM 662 CB CYS A 47 6.545 12.739 -1.625 1.00 0.00 C ATOM 663 SG CYS A 47 5.576 14.243 -1.279 1.00 0.00 S ATOM 0 H CYS A 47 3.989 11.119 -0.367 1.00 0.00 H new ATOM 0 HA CYS A 47 5.089 11.312 -2.315 1.00 0.00 H new ATOM 0 HB2 CYS A 47 7.409 12.713 -0.960 1.00 0.00 H new ATOM 0 HB3 CYS A 47 6.928 12.791 -2.644 1.00 0.00 H new ATOM 668 N GLU A 48 6.802 9.626 -0.249 1.00 0.00 N ATOM 669 CA GLU A 48 7.661 8.460 -0.082 1.00 0.00 C ATOM 670 C GLU A 48 6.807 7.197 -0.004 1.00 0.00 C ATOM 671 O GLU A 48 6.924 6.397 0.921 1.00 0.00 O ATOM 672 CB GLU A 48 8.518 8.617 1.174 1.00 0.00 C ATOM 673 CG GLU A 48 9.197 7.335 1.617 1.00 0.00 C ATOM 674 CD GLU A 48 10.439 7.592 2.450 1.00 0.00 C ATOM 675 OE1 GLU A 48 11.288 8.399 2.016 1.00 0.00 O ATOM 676 OE2 GLU A 48 10.560 6.988 3.536 1.00 0.00 O ATOM 0 H GLU A 48 6.309 9.911 0.597 1.00 0.00 H new ATOM 0 HA GLU A 48 8.327 8.375 -0.941 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.279 9.375 0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.891 8.984 1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.493 6.736 2.195 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.468 6.749 0.739 1.00 0.00 H new ATOM 683 N ILE A 49 5.922 7.054 -0.979 1.00 0.00 N ATOM 684 CA ILE A 49 5.008 5.928 -1.041 1.00 0.00 C ATOM 685 C ILE A 49 5.526 4.797 -1.918 1.00 0.00 C ATOM 686 O ILE A 49 6.452 4.969 -2.711 1.00 0.00 O ATOM 687 CB ILE A 49 3.654 6.384 -1.591 1.00 0.00 C ATOM 688 CG1 ILE A 49 3.227 7.678 -0.918 1.00 0.00 C ATOM 689 CG2 ILE A 49 2.605 5.313 -1.405 1.00 0.00 C ATOM 690 CD1 ILE A 49 3.214 8.849 -1.862 1.00 0.00 C ATOM 0 H ILE A 49 5.819 7.716 -1.748 1.00 0.00 H new ATOM 0 HA ILE A 49 4.910 5.551 -0.023 1.00 0.00 H new ATOM 0 HB ILE A 49 3.759 6.564 -2.661 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.232 7.549 -0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.903 7.892 -0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.653 5.663 -1.804 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.910 4.409 -1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.494 5.093 -0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.901 9.745 -1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.214 9.000 -2.269 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.517 8.652 -2.677 1.00 0.00 H new ATOM 702 N PHE A 50 4.887 3.643 -1.774 1.00 0.00 N ATOM 703 CA PHE A 50 5.223 2.459 -2.544 1.00 0.00 C ATOM 704 C PHE A 50 4.055 2.110 -3.456 1.00 0.00 C ATOM 705 O PHE A 50 3.154 1.361 -3.075 1.00 0.00 O ATOM 706 CB PHE A 50 5.541 1.296 -1.604 1.00 0.00 C ATOM 707 CG PHE A 50 5.384 -0.057 -2.233 1.00 0.00 C ATOM 708 CD1 PHE A 50 6.364 -0.562 -3.072 1.00 0.00 C ATOM 709 CD2 PHE A 50 4.261 -0.827 -1.978 1.00 0.00 C ATOM 710 CE1 PHE A 50 6.226 -1.812 -3.643 1.00 0.00 C ATOM 711 CE2 PHE A 50 4.117 -2.076 -2.549 1.00 0.00 C ATOM 712 CZ PHE A 50 5.102 -2.569 -3.382 1.00 0.00 C ATOM 0 H PHE A 50 4.119 3.505 -1.117 1.00 0.00 H new ATOM 0 HA PHE A 50 6.105 2.654 -3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.565 1.402 -1.245 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.889 1.358 -0.732 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.244 0.027 -3.282 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.489 -0.446 -1.325 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.997 -2.197 -4.294 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.236 -2.666 -2.345 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.993 -3.546 -3.829 1.00 0.00 H new ATOM 722 N PRO A 51 4.048 2.684 -4.669 1.00 0.00 N ATOM 723 CA PRO A 51 2.984 2.476 -5.653 1.00 0.00 C ATOM 724 C PRO A 51 2.513 1.028 -5.740 1.00 0.00 C ATOM 725 O PRO A 51 3.190 0.178 -6.319 1.00 0.00 O ATOM 726 CB PRO A 51 3.649 2.902 -6.959 1.00 0.00 C ATOM 727 CG PRO A 51 4.612 3.965 -6.556 1.00 0.00 C ATOM 728 CD PRO A 51 5.079 3.613 -5.165 1.00 0.00 C ATOM 0 HA PRO A 51 2.083 3.034 -5.399 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.158 2.065 -7.437 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.917 3.279 -7.673 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.453 4.010 -7.248 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.136 4.945 -6.569 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.064 3.146 -5.181 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.156 4.498 -4.534 1.00 0.00 H new ATOM 736 N CYS A 52 1.339 0.760 -5.174 1.00 0.00 N ATOM 737 CA CYS A 52 0.769 -0.578 -5.203 1.00 0.00 C ATOM 738 C CYS A 52 -0.732 -0.536 -5.455 1.00 0.00 C ATOM 739 O CYS A 52 -1.435 0.412 -5.054 1.00 0.00 O ATOM 740 CB CYS A 52 1.044 -1.322 -3.899 1.00 0.00 C ATOM 741 SG CYS A 52 0.497 -0.444 -2.400 1.00 0.00 S ATOM 0 H CYS A 52 0.767 1.453 -4.691 1.00 0.00 H new ATOM 0 HA CYS A 52 1.248 -1.111 -6.024 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.549 -2.292 -3.938 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.114 -1.513 -3.823 1.00 0.00 H new ATOM 746 N PRO A 53 -1.238 -1.574 -6.132 1.00 0.00 N ATOM 747 CA PRO A 53 -0.450 -2.697 -6.614 1.00 0.00 C ATOM 748 C PRO A 53 -0.204 -2.628 -8.118 1.00 0.00 C ATOM 749 O PRO A 53 -0.353 -1.574 -8.737 1.00 0.00 O ATOM 750 CB PRO A 53 -1.388 -3.858 -6.299 1.00 0.00 C ATOM 751 CG PRO A 53 -2.773 -3.282 -6.417 1.00 0.00 C ATOM 752 CD PRO A 53 -2.630 -1.772 -6.494 1.00 0.00 C ATOM 0 HA PRO A 53 0.543 -2.753 -6.167 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.243 -4.683 -6.996 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.208 -4.251 -5.298 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.274 -3.666 -7.305 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.382 -3.567 -5.559 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.848 -1.393 -7.493 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.305 -1.264 -5.806 1.00 0.00 H new ATOM 760 N VAL A 54 0.149 -3.769 -8.701 1.00 0.00 N ATOM 761 CA VAL A 54 0.390 -3.855 -10.134 1.00 0.00 C ATOM 762 C VAL A 54 -0.609 -4.815 -10.782 1.00 0.00 C ATOM 763 O VAL A 54 -0.741 -4.860 -12.005 1.00 0.00 O ATOM 764 CB VAL A 54 1.827 -4.318 -10.445 1.00 0.00 C ATOM 765 CG1 VAL A 54 2.113 -4.217 -11.936 1.00 0.00 C ATOM 766 CG2 VAL A 54 2.832 -3.500 -9.650 1.00 0.00 C ATOM 0 H VAL A 54 0.274 -4.649 -8.200 1.00 0.00 H new ATOM 0 HA VAL A 54 0.259 -2.855 -10.547 1.00 0.00 H new ATOM 0 HB VAL A 54 1.923 -5.363 -10.150 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.132 -4.548 -12.134 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.413 -4.848 -12.484 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.999 -3.182 -12.259 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.842 -3.840 -9.881 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.734 -2.447 -9.914 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.642 -3.626 -8.584 1.00 0.00 H new ATOM 776 N LEU A 55 -1.320 -5.569 -9.944 1.00 0.00 N ATOM 777 CA LEU A 55 -2.323 -6.520 -10.415 1.00 0.00 C ATOM 778 C LEU A 55 -1.690 -7.654 -11.212 1.00 0.00 C ATOM 779 O LEU A 55 -0.973 -7.420 -12.185 1.00 0.00 O ATOM 780 CB LEU A 55 -3.372 -5.804 -11.267 1.00 0.00 C ATOM 781 CG LEU A 55 -4.753 -5.674 -10.623 1.00 0.00 C ATOM 782 CD1 LEU A 55 -4.628 -5.542 -9.113 1.00 0.00 C ATOM 783 CD2 LEU A 55 -5.499 -4.483 -11.204 1.00 0.00 C ATOM 0 H LEU A 55 -1.218 -5.538 -8.930 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.805 -6.954 -9.539 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.004 -4.806 -11.505 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.477 -6.339 -12.211 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.322 -6.577 -10.841 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.621 -5.451 -8.672 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.132 -6.425 -8.710 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.041 -4.655 -8.873 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.480 -4.404 -10.735 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.932 -3.571 -11.015 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.620 -4.619 -12.279 1.00 0.00 H new ATOM 795 N GLY A 56 -1.970 -8.886 -10.796 1.00 0.00 N ATOM 796 CA GLY A 56 -1.427 -10.043 -11.482 1.00 0.00 C ATOM 797 C GLY A 56 0.024 -9.859 -11.873 1.00 0.00 C ATOM 798 O GLY A 56 0.500 -10.469 -12.831 1.00 0.00 O ATOM 0 H GLY A 56 -2.564 -9.103 -9.995 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.518 -10.918 -10.839 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.018 -10.242 -12.376 1.00 0.00 H new ATOM 802 N THR A 57 0.732 -9.013 -11.130 1.00 0.00 N ATOM 803 CA THR A 57 2.139 -8.749 -11.404 1.00 0.00 C ATOM 804 C THR A 57 3.001 -9.085 -10.194 1.00 0.00 C ATOM 805 O THR A 57 2.568 -9.804 -9.294 1.00 0.00 O ATOM 806 CB THR A 57 2.337 -7.284 -11.794 1.00 0.00 C ATOM 807 OG1 THR A 57 1.124 -6.566 -11.665 1.00 0.00 O ATOM 808 CG2 THR A 57 2.829 -7.103 -13.213 1.00 0.00 C ATOM 0 H THR A 57 0.354 -8.499 -10.334 1.00 0.00 H new ATOM 0 HA THR A 57 2.447 -9.384 -12.234 1.00 0.00 H new ATOM 0 HB THR A 57 3.098 -6.903 -11.113 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.524 -6.801 -12.404 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.948 -6.040 -13.424 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.788 -7.606 -13.332 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.105 -7.532 -13.906 1.00 0.00 H new ATOM 816 N ALA A 58 4.222 -8.561 -10.181 1.00 0.00 N ATOM 817 CA ALA A 58 5.150 -8.806 -9.083 1.00 0.00 C ATOM 818 C ALA A 58 4.694 -8.115 -7.802 1.00 0.00 C ATOM 819 O ALA A 58 4.315 -8.772 -6.833 1.00 0.00 O ATOM 820 CB ALA A 58 6.545 -8.339 -9.465 1.00 0.00 C ATOM 0 H ALA A 58 4.592 -7.963 -10.920 1.00 0.00 H new ATOM 0 HA ALA A 58 5.170 -9.879 -8.893 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.230 -8.526 -8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.882 -8.884 -10.347 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.524 -7.271 -9.684 1.00 0.00 H new ATOM 826 N GLU A 59 4.742 -6.786 -7.802 1.00 0.00 N ATOM 827 CA GLU A 59 4.344 -6.005 -6.636 1.00 0.00 C ATOM 828 C GLU A 59 3.179 -6.663 -5.901 1.00 0.00 C ATOM 829 O GLU A 59 3.374 -7.309 -4.872 1.00 0.00 O ATOM 830 CB GLU A 59 3.970 -4.578 -7.048 1.00 0.00 C ATOM 831 CG GLU A 59 4.492 -3.515 -6.096 1.00 0.00 C ATOM 832 CD GLU A 59 4.717 -2.178 -6.777 1.00 0.00 C ATOM 833 OE1 GLU A 59 4.367 -2.053 -7.969 1.00 0.00 O ATOM 834 OE2 GLU A 59 5.242 -1.257 -6.117 1.00 0.00 O ATOM 0 H GLU A 59 5.053 -6.228 -8.597 1.00 0.00 H new ATOM 0 HA GLU A 59 5.195 -5.965 -5.956 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.360 -4.383 -8.047 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.885 -4.499 -7.109 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.783 -3.387 -5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.429 -3.856 -5.656 1.00 0.00 H new ATOM 841 N PHE A 60 1.970 -6.490 -6.425 1.00 0.00 N ATOM 842 CA PHE A 60 0.784 -7.060 -5.805 1.00 0.00 C ATOM 843 C PHE A 60 1.073 -8.413 -5.163 1.00 0.00 C ATOM 844 O PHE A 60 1.180 -8.517 -3.942 1.00 0.00 O ATOM 845 CB PHE A 60 -0.337 -7.208 -6.830 1.00 0.00 C ATOM 846 CG PHE A 60 -1.645 -7.561 -6.196 1.00 0.00 C ATOM 847 CD1 PHE A 60 -2.083 -6.875 -5.076 1.00 0.00 C ATOM 848 CD2 PHE A 60 -2.426 -8.582 -6.706 1.00 0.00 C ATOM 849 CE1 PHE A 60 -3.279 -7.199 -4.475 1.00 0.00 C ATOM 850 CE2 PHE A 60 -3.628 -8.912 -6.108 1.00 0.00 C ATOM 851 CZ PHE A 60 -4.053 -8.219 -4.992 1.00 0.00 C ATOM 0 H PHE A 60 1.788 -5.960 -7.277 1.00 0.00 H new ATOM 0 HA PHE A 60 0.470 -6.373 -5.019 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.445 -6.276 -7.384 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.066 -7.978 -7.552 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.480 -6.077 -4.669 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -2.094 -9.126 -7.578 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.611 -6.657 -3.602 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -4.233 -9.710 -6.513 1.00 0.00 H new ATOM 0 HZ PHE A 60 -4.992 -8.475 -4.523 1.00 0.00 H new ATOM 861 N THR A 61 1.190 -9.448 -5.988 1.00 0.00 N ATOM 862 CA THR A 61 1.454 -10.796 -5.495 1.00 0.00 C ATOM 863 C THR A 61 2.360 -10.774 -4.264 1.00 0.00 C ATOM 864 O THR A 61 2.269 -11.647 -3.401 1.00 0.00 O ATOM 865 CB THR A 61 2.088 -11.650 -6.594 1.00 0.00 C ATOM 866 OG1 THR A 61 2.014 -13.026 -6.265 1.00 0.00 O ATOM 867 CG2 THR A 61 3.541 -11.317 -6.850 1.00 0.00 C ATOM 0 H THR A 61 1.106 -9.380 -7.002 1.00 0.00 H new ATOM 0 HA THR A 61 0.499 -11.235 -5.205 1.00 0.00 H new ATOM 0 HB THR A 61 1.518 -11.428 -7.496 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.423 -13.556 -6.981 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.928 -11.960 -7.641 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.627 -10.274 -7.155 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.117 -11.477 -5.938 1.00 0.00 H new ATOM 875 N GLU A 62 3.236 -9.776 -4.190 1.00 0.00 N ATOM 876 CA GLU A 62 4.158 -9.653 -3.067 1.00 0.00 C ATOM 877 C GLU A 62 3.467 -9.089 -1.828 1.00 0.00 C ATOM 878 O GLU A 62 3.713 -9.545 -0.711 1.00 0.00 O ATOM 879 CB GLU A 62 5.343 -8.764 -3.452 1.00 0.00 C ATOM 880 CG GLU A 62 6.052 -9.210 -4.720 1.00 0.00 C ATOM 881 CD GLU A 62 7.478 -9.657 -4.464 1.00 0.00 C ATOM 882 OE1 GLU A 62 8.204 -8.941 -3.745 1.00 0.00 O ATOM 883 OE2 GLU A 62 7.868 -10.724 -4.985 1.00 0.00 O ATOM 0 H GLU A 62 3.326 -9.043 -4.893 1.00 0.00 H new ATOM 0 HA GLU A 62 4.517 -10.653 -2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.991 -7.741 -3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.059 -8.752 -2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.495 -10.029 -5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.056 -8.390 -5.438 1.00 0.00 H new ATOM 890 N MET A 63 2.611 -8.089 -2.023 1.00 0.00 N ATOM 891 CA MET A 63 1.904 -7.465 -0.910 1.00 0.00 C ATOM 892 C MET A 63 0.620 -8.211 -0.561 1.00 0.00 C ATOM 893 O MET A 63 0.306 -8.403 0.615 1.00 0.00 O ATOM 894 CB MET A 63 1.592 -5.997 -1.221 1.00 0.00 C ATOM 895 CG MET A 63 0.784 -5.782 -2.493 1.00 0.00 C ATOM 896 SD MET A 63 1.588 -4.646 -3.643 1.00 0.00 S ATOM 897 CE MET A 63 3.307 -5.113 -3.451 1.00 0.00 C ATOM 0 H MET A 63 2.391 -7.695 -2.938 1.00 0.00 H new ATOM 0 HA MET A 63 2.563 -7.513 -0.043 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.045 -5.568 -0.381 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.530 -5.448 -1.304 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.627 -6.741 -2.986 1.00 0.00 H new ATOM 0 HG3 MET A 63 -0.200 -5.393 -2.232 1.00 0.00 H new ATOM 0 HE1 MET A 63 3.875 -4.774 -4.318 1.00 0.00 H new ATOM 0 HE2 MET A 63 3.711 -4.652 -2.550 1.00 0.00 H new ATOM 0 HE3 MET A 63 3.382 -6.197 -3.369 1.00 0.00 H new ATOM 907 N CYS A 64 -0.125 -8.627 -1.579 1.00 0.00 N ATOM 908 CA CYS A 64 -1.375 -9.345 -1.361 1.00 0.00 C ATOM 909 C CYS A 64 -1.281 -10.777 -1.879 1.00 0.00 C ATOM 910 O CYS A 64 -1.563 -11.047 -3.046 1.00 0.00 O ATOM 911 CB CYS A 64 -2.532 -8.617 -2.046 1.00 0.00 C ATOM 912 SG CYS A 64 -4.097 -8.669 -1.115 1.00 0.00 S ATOM 0 H CYS A 64 0.114 -8.480 -2.560 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.561 -9.379 -0.288 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.250 -7.576 -2.204 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.692 -9.057 -3.030 1.00 0.00 H new ATOM 917 N PRO A 65 -0.884 -11.715 -1.006 1.00 0.00 N ATOM 918 CA PRO A 65 -0.753 -13.127 -1.368 1.00 0.00 C ATOM 919 C PRO A 65 -2.107 -13.819 -1.482 1.00 0.00 C ATOM 920 O PRO A 65 -2.292 -14.713 -2.307 1.00 0.00 O ATOM 921 CB PRO A 65 0.048 -13.711 -0.205 1.00 0.00 C ATOM 922 CG PRO A 65 -0.302 -12.850 0.959 1.00 0.00 C ATOM 923 CD PRO A 65 -0.535 -11.468 0.404 1.00 0.00 C ATOM 0 HA PRO A 65 -0.281 -13.261 -2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.218 -14.752 -0.023 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.119 -13.687 -0.409 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.193 -13.222 1.464 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.502 -12.844 1.695 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.338 -10.954 0.932 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.355 -10.845 0.494 1.00 0.00 H new ATOM 931 N LYS A 66 -3.050 -13.394 -0.648 1.00 0.00 N ATOM 932 CA LYS A 66 -4.390 -13.968 -0.652 1.00 0.00 C ATOM 933 C LYS A 66 -5.163 -13.534 -1.894 1.00 0.00 C ATOM 934 O LYS A 66 -5.402 -14.332 -2.800 1.00 0.00 O ATOM 935 CB LYS A 66 -5.150 -13.546 0.606 1.00 0.00 C ATOM 936 CG LYS A 66 -5.831 -14.700 1.323 1.00 0.00 C ATOM 937 CD LYS A 66 -5.588 -14.644 2.822 1.00 0.00 C ATOM 938 CE LYS A 66 -6.826 -15.054 3.603 1.00 0.00 C ATOM 939 NZ LYS A 66 -7.601 -13.873 4.075 1.00 0.00 N ATOM 0 H LYS A 66 -2.911 -12.654 0.040 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.294 -15.054 -0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.457 -13.061 1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.901 -12.804 0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -6.903 -14.671 1.126 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.459 -15.646 0.928 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.758 -15.301 3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.295 -13.633 3.107 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.462 -15.678 2.975 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.531 -15.660 4.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.437 -14.195 4.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.003 -13.291 4.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.905 -13.308 3.257 1.00 0.00 H new ATOM 953 N GLY A 67 -5.547 -12.263 -1.929 1.00 0.00 N ATOM 954 CA GLY A 67 -6.287 -11.741 -3.063 1.00 0.00 C ATOM 955 C GLY A 67 -6.627 -10.272 -2.907 1.00 0.00 C ATOM 956 O GLY A 67 -6.533 -9.720 -1.812 1.00 0.00 O ATOM 0 H GLY A 67 -5.359 -11.584 -1.191 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.700 -11.881 -3.971 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.207 -12.312 -3.187 1.00 0.00 H new ATOM 960 N LYS A 68 -7.022 -9.638 -4.005 1.00 0.00 N ATOM 961 CA LYS A 68 -7.376 -8.224 -3.985 1.00 0.00 C ATOM 962 C LYS A 68 -8.791 -8.022 -3.451 1.00 0.00 C ATOM 963 O LYS A 68 -9.767 -8.432 -4.080 1.00 0.00 O ATOM 964 CB LYS A 68 -7.260 -7.626 -5.389 1.00 0.00 C ATOM 965 CG LYS A 68 -8.022 -6.322 -5.559 1.00 0.00 C ATOM 966 CD LYS A 68 -8.016 -5.858 -7.007 1.00 0.00 C ATOM 967 CE LYS A 68 -8.836 -4.591 -7.188 1.00 0.00 C ATOM 968 NZ LYS A 68 -10.250 -4.889 -7.545 1.00 0.00 N ATOM 0 H LYS A 68 -7.105 -10.081 -4.920 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.680 -7.713 -3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.208 -7.455 -5.616 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.629 -8.350 -6.115 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.050 -6.454 -5.222 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.576 -5.554 -4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.990 -5.678 -7.328 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.416 -6.646 -7.645 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.810 -4.007 -6.268 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.387 -3.977 -7.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.774 -3.998 -7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.278 -5.424 -8.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.687 -5.454 -6.789 1.00 0.00 H new ATOM 982 N GLY A 69 -8.895 -7.385 -2.289 1.00 0.00 N ATOM 983 CA GLY A 69 -10.195 -7.138 -1.693 1.00 0.00 C ATOM 984 C GLY A 69 -10.347 -7.784 -0.332 1.00 0.00 C ATOM 985 O GLY A 69 -11.280 -8.554 -0.102 1.00 0.00 O ATOM 0 H GLY A 69 -8.103 -7.036 -1.750 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.349 -6.063 -1.599 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.972 -7.514 -2.358 1.00 0.00 H new ATOM 989 N PHE A 70 -9.431 -7.464 0.570 1.00 0.00 N ATOM 990 CA PHE A 70 -9.463 -8.009 1.922 1.00 0.00 C ATOM 991 C PHE A 70 -9.758 -6.910 2.935 1.00 0.00 C ATOM 992 O PHE A 70 -10.585 -7.078 3.831 1.00 0.00 O ATOM 993 CB PHE A 70 -8.133 -8.689 2.254 1.00 0.00 C ATOM 994 CG PHE A 70 -8.158 -9.468 3.538 1.00 0.00 C ATOM 995 CD1 PHE A 70 -9.355 -9.925 4.066 1.00 0.00 C ATOM 996 CD2 PHE A 70 -6.981 -9.745 4.216 1.00 0.00 C ATOM 997 CE1 PHE A 70 -9.377 -10.645 5.246 1.00 0.00 C ATOM 998 CE2 PHE A 70 -6.997 -10.463 5.397 1.00 0.00 C ATOM 999 CZ PHE A 70 -8.197 -10.914 5.912 1.00 0.00 C ATOM 0 H PHE A 70 -8.654 -6.828 0.391 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.259 -8.752 1.974 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.864 -9.359 1.438 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.352 -7.931 2.314 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -10.281 -9.716 3.550 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.040 -9.396 3.817 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -10.316 -10.997 5.647 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.073 -10.671 5.916 1.00 0.00 H new ATOM 0 HZ PHE A 70 -8.213 -11.476 6.834 1.00 0.00 H new