USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 725 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 21 TYR OH : rot 21:sc= 0.188 USER MOD Set 1.2: A 85 HIS : no HD1:sc= -6.2! K(o=-6!,f=-3.9) USER MOD Single : A 18 SER OG : rot 170:sc= -0.416 USER MOD Single : A 19 CYS SG : rot -114:sc= 0.44 USER MOD Single : A 20 CYS SG : rot -59:sc= 1.01 USER MOD Single : A 23 SER OG : rot 78:sc= -0.546 USER MOD Single : A 30 THR OG1 : rot 113:sc= 1.2 USER MOD Single : A 40 THR OG1 : rot 146:sc= 1.26 USER MOD Single : A 41 SER OG : rot -135:sc= 0.735 USER MOD Single : A 42 GLN : amide:sc= -1.27! K(o=-1.3!,f=-0.36) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -1.82! K(o=-1.8!,f=-0.79) USER MOD Single : A 49 GLN : amide:sc= -0.435 X(o=-0.43,f=0) USER MOD Single : A 51 THR OG1 : rot 131:sc= -1.74! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0854 X(o=-0.085,f=-0.13) USER MOD Single : A 63 GLN : amide:sc= -1.35! C(o=-1.3!,f=-4.6!) USER MOD Single : A 68 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-0.2) USER MOD Single : A 76 MET CE :methyl 148:sc= -3.05! (180deg=-6.78!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.0424 X(o=-0.042,f=0) USER MOD Single : A 80 GLN : amide:sc= -6.03! K(o=-6!,f=-2) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc=-0.00194 X(o=-0.0019,f=-0.0019) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -108:sc= 1.01 (180deg=-0.0105) USER MOD Single : A 105 HIS : no HD1:sc= -0.0536 K(o=-0.054,f=-0.99) USER MOD Single : A 106 MET CE :methyl -149:sc= -0.29 (180deg=-0.654) USER MOD Single : A 107 GLN : amide:sc= -0.218 K(o=-0.22,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 138 N ASP A 15 6.518 18.828 -6.198 1.00 10.00 N ATOM 139 CA ASP A 15 7.003 18.266 -5.007 1.00 10.00 C ATOM 140 C ASP A 15 6.233 17.068 -4.609 1.00 10.00 C ATOM 141 O ASP A 15 5.831 16.904 -3.470 1.00 10.00 O ATOM 142 CB ASP A 15 7.032 19.315 -3.917 1.00 10.00 C ATOM 143 CG ASP A 15 5.706 20.064 -3.750 1.00 10.00 C ATOM 144 OD1 ASP A 15 5.381 20.917 -4.617 1.00 10.00 O ATOM 145 OD2 ASP A 15 4.987 19.831 -2.761 1.00 10.00 O ATOM 0 HA ASP A 15 8.024 17.924 -5.177 1.00 10.00 H new ATOM 0 HB2 ASP A 15 7.291 18.838 -2.972 1.00 10.00 H new ATOM 0 HB3 ASP A 15 7.821 20.034 -4.138 1.00 10.00 H new ATOM 150 N LEU A 16 6.062 16.231 -5.541 1.00 10.00 N ATOM 151 CA LEU A 16 5.476 14.985 -5.347 1.00 10.00 C ATOM 152 C LEU A 16 6.465 13.942 -5.681 1.00 10.00 C ATOM 153 O LEU A 16 7.393 14.159 -6.443 1.00 10.00 O ATOM 154 CB LEU A 16 4.186 14.795 -6.132 1.00 10.00 C ATOM 155 CG LEU A 16 3.083 15.829 -5.951 1.00 10.00 C ATOM 156 CD1 LEU A 16 2.823 16.197 -4.510 1.00 10.00 C ATOM 157 CD2 LEU A 16 3.272 17.018 -6.850 1.00 10.00 C ATOM 0 H LEU A 16 6.341 16.406 -6.506 1.00 10.00 H new ATOM 0 HA LEU A 16 5.186 14.908 -4.299 1.00 10.00 H new ATOM 0 HB2 LEU A 16 4.441 14.760 -7.191 1.00 10.00 H new ATOM 0 HB3 LEU A 16 3.776 13.819 -5.871 1.00 10.00 H new ATOM 0 HG LEU A 16 2.161 15.345 -6.274 1.00 10.00 H new ATOM 0 HD11 LEU A 16 2.025 16.938 -4.462 1.00 10.00 H new ATOM 0 HD12 LEU A 16 2.526 15.307 -3.955 1.00 10.00 H new ATOM 0 HD13 LEU A 16 3.730 16.612 -4.071 1.00 10.00 H new ATOM 0 HD21 LEU A 16 2.463 17.730 -6.687 1.00 10.00 H new ATOM 0 HD22 LEU A 16 4.226 17.496 -6.626 1.00 10.00 H new ATOM 0 HD23 LEU A 16 3.265 16.692 -7.890 1.00 10.00 H new ATOM 169 N VAL A 17 6.268 12.841 -5.106 1.00 10.00 N ATOM 170 CA VAL A 17 7.074 11.729 -5.192 1.00 10.00 C ATOM 171 C VAL A 17 6.165 10.526 -4.980 1.00 10.00 C ATOM 172 O VAL A 17 5.145 10.639 -4.306 1.00 10.00 O ATOM 173 CB VAL A 17 8.203 11.757 -4.110 1.00 10.00 C ATOM 174 CG1 VAL A 17 8.795 10.415 -3.941 1.00 10.00 C ATOM 175 CG2 VAL A 17 9.310 12.743 -4.438 1.00 10.00 C ATOM 0 H VAL A 17 5.458 12.687 -4.506 1.00 10.00 H new ATOM 0 HA VAL A 17 7.573 11.690 -6.160 1.00 10.00 H new ATOM 0 HB VAL A 17 7.727 12.081 -3.184 1.00 10.00 H new ATOM 0 HG11 VAL A 17 9.578 10.456 -3.184 1.00 10.00 H new ATOM 0 HG12 VAL A 17 8.022 9.713 -3.626 1.00 10.00 H new ATOM 0 HG13 VAL A 17 9.222 10.084 -4.888 1.00 10.00 H new ATOM 0 HG21 VAL A 17 10.064 12.718 -3.652 1.00 10.00 H new ATOM 0 HG22 VAL A 17 9.768 12.472 -5.389 1.00 10.00 H new ATOM 0 HG23 VAL A 17 8.893 13.748 -4.509 1.00 10.00 H new ATOM 185 N SER A 18 6.490 9.447 -5.582 1.00 10.00 N ATOM 186 CA SER A 18 5.756 8.242 -5.412 1.00 10.00 C ATOM 187 C SER A 18 6.696 7.080 -5.198 1.00 10.00 C ATOM 188 O SER A 18 7.556 6.786 -6.043 1.00 10.00 O ATOM 189 CB SER A 18 4.785 7.999 -6.574 1.00 10.00 C ATOM 190 OG SER A 18 5.434 8.067 -7.832 1.00 10.00 O ATOM 0 H SER A 18 7.284 9.369 -6.217 1.00 10.00 H new ATOM 0 HA SER A 18 5.141 8.339 -4.518 1.00 10.00 H new ATOM 0 HB2 SER A 18 4.320 7.020 -6.459 1.00 10.00 H new ATOM 0 HB3 SER A 18 3.985 8.738 -6.538 1.00 10.00 H new ATOM 0 HG SER A 18 4.825 7.751 -8.532 1.00 10.00 H new ATOM 196 N CYS A 19 6.599 6.495 -4.045 1.00 10.00 N ATOM 197 CA CYS A 19 7.347 5.326 -3.722 1.00 10.00 C ATOM 198 C CYS A 19 6.460 4.138 -4.013 1.00 10.00 C ATOM 199 O CYS A 19 5.343 4.058 -3.493 1.00 10.00 O ATOM 200 CB CYS A 19 7.765 5.368 -2.254 1.00 10.00 C ATOM 201 SG CYS A 19 8.744 6.831 -1.820 1.00 10.00 S ATOM 0 H CYS A 19 5.990 6.822 -3.295 1.00 10.00 H new ATOM 0 HA CYS A 19 8.261 5.259 -4.313 1.00 10.00 H new ATOM 0 HB2 CYS A 19 6.872 5.340 -1.630 1.00 10.00 H new ATOM 0 HB3 CYS A 19 8.343 4.473 -2.024 1.00 10.00 H new ATOM 0 HG CYS A 19 9.947 6.466 -1.489 1.00 10.00 H new ATOM 207 N CYS A 20 6.933 3.248 -4.847 1.00 10.00 N ATOM 208 CA CYS A 20 6.156 2.129 -5.312 1.00 10.00 C ATOM 209 C CYS A 20 6.774 0.905 -4.755 1.00 10.00 C ATOM 210 O CYS A 20 7.844 0.522 -5.189 1.00 10.00 O ATOM 211 CB CYS A 20 6.180 2.070 -6.849 1.00 10.00 C ATOM 212 SG CYS A 20 5.688 3.604 -7.680 1.00 10.00 S ATOM 0 H CYS A 20 7.879 3.281 -5.226 1.00 10.00 H new ATOM 0 HA CYS A 20 5.118 2.223 -4.992 1.00 10.00 H new ATOM 0 HB2 CYS A 20 7.187 1.806 -7.172 1.00 10.00 H new ATOM 0 HB3 CYS A 20 5.519 1.268 -7.178 1.00 10.00 H new ATOM 0 HG CYS A 20 4.481 3.926 -7.318 1.00 10.00 H new ATOM 218 N TYR A 21 6.140 0.288 -3.801 1.00 10.00 N ATOM 219 CA TYR A 21 6.784 -0.780 -3.146 1.00 10.00 C ATOM 220 C TYR A 21 6.082 -2.116 -3.317 1.00 10.00 C ATOM 221 O TYR A 21 4.858 -2.190 -3.500 1.00 10.00 O ATOM 222 CB TYR A 21 7.013 -0.445 -1.685 1.00 10.00 C ATOM 223 CG TYR A 21 5.900 -0.498 -0.703 1.00 10.00 C ATOM 224 CD1 TYR A 21 5.415 -1.700 -0.248 1.00 10.00 C ATOM 225 CD2 TYR A 21 5.424 0.654 -0.138 1.00 10.00 C ATOM 226 CE1 TYR A 21 4.488 -1.755 0.730 1.00 10.00 C ATOM 227 CE2 TYR A 21 4.482 0.610 0.838 1.00 10.00 C ATOM 228 CZ TYR A 21 4.018 -0.608 1.277 1.00 10.00 C ATOM 229 OH TYR A 21 3.106 -0.684 2.283 1.00 10.00 O ATOM 0 H TYR A 21 5.199 0.509 -3.474 1.00 10.00 H new ATOM 0 HA TYR A 21 7.752 -0.905 -3.632 1.00 10.00 H new ATOM 0 HB2 TYR A 21 7.791 -1.117 -1.322 1.00 10.00 H new ATOM 0 HB3 TYR A 21 7.422 0.565 -1.650 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.783 -2.618 -0.682 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.802 1.609 -0.473 1.00 10.00 H new ATOM 0 HE1 TYR A 21 4.122 -2.710 1.076 1.00 10.00 H new ATOM 0 HE2 TYR A 21 4.100 1.525 1.267 1.00 10.00 H new ATOM 0 HH TYR A 21 3.153 -1.569 2.701 1.00 10.00 H new ATOM 239 N ARG A 22 6.858 -3.149 -3.209 1.00 10.00 N ATOM 240 CA ARG A 22 6.433 -4.501 -3.384 1.00 10.00 C ATOM 241 C ARG A 22 6.658 -5.253 -2.068 1.00 10.00 C ATOM 242 O ARG A 22 7.782 -5.354 -1.569 1.00 10.00 O ATOM 243 CB ARG A 22 7.283 -5.102 -4.533 1.00 10.00 C ATOM 244 CG ARG A 22 6.959 -6.526 -5.030 1.00 10.00 C ATOM 245 CD ARG A 22 7.271 -7.620 -4.010 1.00 10.00 C ATOM 246 NE ARG A 22 8.620 -7.476 -3.415 1.00 10.00 N ATOM 247 CZ ARG A 22 9.679 -8.243 -3.712 1.00 10.00 C ATOM 248 NH1 ARG A 22 9.614 -9.099 -4.719 1.00 10.00 N ATOM 249 NH2 ARG A 22 10.808 -8.128 -3.009 1.00 10.00 N ATOM 0 H ARG A 22 7.850 -3.068 -2.986 1.00 10.00 H new ATOM 0 HA ARG A 22 5.376 -4.574 -3.640 1.00 10.00 H new ATOM 0 HB2 ARG A 22 7.207 -4.429 -5.387 1.00 10.00 H new ATOM 0 HB3 ARG A 22 8.325 -5.093 -4.212 1.00 10.00 H new ATOM 0 HG2 ARG A 22 5.902 -6.578 -5.293 1.00 10.00 H new ATOM 0 HG3 ARG A 22 7.524 -6.720 -5.942 1.00 10.00 H new ATOM 0 HD2 ARG A 22 6.524 -7.596 -3.217 1.00 10.00 H new ATOM 0 HD3 ARG A 22 7.193 -8.594 -4.492 1.00 10.00 H new ATOM 0 HE ARG A 22 8.754 -6.736 -2.726 1.00 10.00 H new ATOM 0 HH11 ARG A 22 8.758 -9.175 -5.269 1.00 10.00 H new ATOM 0 HH12 ARG A 22 10.419 -9.683 -4.945 1.00 10.00 H new ATOM 0 HH21 ARG A 22 10.866 -7.456 -2.244 1.00 10.00 H new ATOM 0 HH22 ARG A 22 11.612 -8.712 -3.237 1.00 10.00 H new ATOM 263 N SER A 23 5.615 -5.766 -1.511 1.00 10.00 N ATOM 264 CA SER A 23 5.701 -6.572 -0.333 1.00 10.00 C ATOM 265 C SER A 23 5.133 -7.960 -0.626 1.00 10.00 C ATOM 266 O SER A 23 4.469 -8.150 -1.626 1.00 10.00 O ATOM 267 CB SER A 23 4.945 -5.917 0.804 1.00 10.00 C ATOM 268 OG SER A 23 5.451 -4.646 1.048 1.00 10.00 O ATOM 0 H SER A 23 4.666 -5.639 -1.862 1.00 10.00 H new ATOM 0 HA SER A 23 6.745 -6.671 -0.036 1.00 10.00 H new ATOM 0 HB2 SER A 23 3.885 -5.853 0.557 1.00 10.00 H new ATOM 0 HB3 SER A 23 5.026 -6.527 1.703 1.00 10.00 H new ATOM 0 HG SER A 23 5.108 -4.022 0.375 1.00 10.00 H new ATOM 274 N LEU A 24 5.423 -8.921 0.211 1.00 10.00 N ATOM 275 CA LEU A 24 4.863 -10.281 0.035 1.00 10.00 C ATOM 276 C LEU A 24 3.907 -10.621 1.174 1.00 10.00 C ATOM 277 O LEU A 24 4.004 -11.709 1.710 1.00 10.00 O ATOM 278 CB LEU A 24 5.983 -11.369 -0.035 1.00 10.00 C ATOM 279 CG LEU A 24 6.862 -11.468 -1.304 1.00 10.00 C ATOM 280 CD1 LEU A 24 6.024 -11.693 -2.535 1.00 10.00 C ATOM 281 CD2 LEU A 24 7.753 -10.267 -1.475 1.00 10.00 C ATOM 0 H LEU A 24 6.035 -8.813 1.020 1.00 10.00 H new ATOM 0 HA LEU A 24 4.323 -10.280 -0.912 1.00 10.00 H new ATOM 0 HB2 LEU A 24 6.649 -11.209 0.813 1.00 10.00 H new ATOM 0 HB3 LEU A 24 5.508 -12.339 0.111 1.00 10.00 H new ATOM 0 HG LEU A 24 7.510 -12.334 -1.170 1.00 10.00 H new ATOM 0 HD11 LEU A 24 6.672 -11.758 -3.409 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.464 -12.622 -2.429 1.00 10.00 H new ATOM 0 HD13 LEU A 24 5.329 -10.862 -2.659 1.00 10.00 H new ATOM 0 HD21 LEU A 24 8.350 -10.383 -2.379 1.00 10.00 H new ATOM 0 HD22 LEU A 24 7.141 -9.369 -1.557 1.00 10.00 H new ATOM 0 HD23 LEU A 24 8.414 -10.178 -0.613 1.00 10.00 H new ATOM 293 N ALA A 25 3.015 -9.644 1.525 1.00 10.00 N ATOM 294 CA ALA A 25 2.034 -9.683 2.691 1.00 10.00 C ATOM 295 C ALA A 25 2.181 -10.876 3.606 1.00 10.00 C ATOM 296 O ALA A 25 1.819 -11.993 3.238 1.00 10.00 O ATOM 297 CB ALA A 25 0.601 -9.550 2.226 1.00 10.00 C ATOM 0 H ALA A 25 2.946 -8.774 0.996 1.00 10.00 H new ATOM 0 HA ALA A 25 2.300 -8.813 3.291 1.00 10.00 H new ATOM 0 HB1 ALA A 25 -0.066 -9.583 3.088 1.00 10.00 H new ATOM 0 HB2 ALA A 25 0.474 -8.601 1.705 1.00 10.00 H new ATOM 0 HB3 ALA A 25 0.360 -10.370 1.550 1.00 10.00 H new ATOM 303 N ALA A 26 2.680 -10.623 4.814 1.00 10.00 N ATOM 304 CA ALA A 26 3.008 -11.635 5.728 1.00 10.00 C ATOM 305 C ALA A 26 1.826 -12.532 6.032 1.00 10.00 C ATOM 306 O ALA A 26 0.724 -12.066 6.302 1.00 10.00 O ATOM 307 CB ALA A 26 3.509 -11.012 6.988 1.00 10.00 C ATOM 0 H ALA A 26 2.859 -9.680 5.160 1.00 10.00 H new ATOM 0 HA ALA A 26 3.782 -12.258 5.279 1.00 10.00 H new ATOM 0 HB1 ALA A 26 3.766 -11.793 7.703 1.00 10.00 H new ATOM 0 HB2 ALA A 26 4.394 -10.413 6.771 1.00 10.00 H new ATOM 0 HB3 ALA A 26 2.734 -10.373 7.411 1.00 10.00 H new ATOM 313 N PRO A 27 2.044 -13.823 5.991 1.00 10.00 N ATOM 314 CA PRO A 27 1.021 -14.844 6.326 1.00 10.00 C ATOM 315 C PRO A 27 0.603 -14.814 7.802 1.00 10.00 C ATOM 316 O PRO A 27 -0.271 -15.564 8.240 1.00 10.00 O ATOM 317 CB PRO A 27 1.754 -16.133 6.025 1.00 10.00 C ATOM 318 CG PRO A 27 3.178 -15.749 6.201 1.00 10.00 C ATOM 319 CD PRO A 27 3.295 -14.460 5.544 1.00 10.00 C ATOM 0 HA PRO A 27 0.093 -14.696 5.773 1.00 10.00 H new ATOM 0 HB2 PRO A 27 1.463 -16.933 6.706 1.00 10.00 H new ATOM 0 HB3 PRO A 27 1.552 -16.487 5.014 1.00 10.00 H new ATOM 0 HG2 PRO A 27 3.443 -15.681 7.256 1.00 10.00 H new ATOM 0 HG3 PRO A 27 3.845 -16.485 5.752 1.00 10.00 H new ATOM 0 HD2 PRO A 27 4.179 -13.909 5.864 1.00 10.00 H new ATOM 0 HD3 PRO A 27 3.351 -14.550 4.459 1.00 10.00 H new ATOM 327 N ASP A 28 1.214 -13.948 8.532 1.00 10.00 N ATOM 328 CA ASP A 28 0.968 -13.812 9.949 1.00 10.00 C ATOM 329 C ASP A 28 0.089 -12.586 10.212 1.00 10.00 C ATOM 330 O ASP A 28 -0.187 -12.210 11.360 1.00 10.00 O ATOM 331 CB ASP A 28 2.301 -13.731 10.720 1.00 10.00 C ATOM 332 CG ASP A 28 2.133 -13.732 12.229 1.00 10.00 C ATOM 333 OD1 ASP A 28 1.745 -14.782 12.803 1.00 10.00 O ATOM 334 OD2 ASP A 28 2.436 -12.708 12.878 1.00 10.00 O ATOM 0 H ASP A 28 1.911 -13.298 8.169 1.00 10.00 H new ATOM 0 HA ASP A 28 0.434 -14.692 10.307 1.00 10.00 H new ATOM 0 HB2 ASP A 28 2.929 -14.574 10.432 1.00 10.00 H new ATOM 0 HB3 ASP A 28 2.828 -12.825 10.422 1.00 10.00 H new ATOM 339 N LEU A 29 -0.390 -11.984 9.141 1.00 10.00 N ATOM 340 CA LEU A 29 -1.227 -10.823 9.258 1.00 10.00 C ATOM 341 C LEU A 29 -2.630 -11.174 9.654 1.00 10.00 C ATOM 342 O LEU A 29 -3.083 -12.323 9.507 1.00 10.00 O ATOM 343 CB LEU A 29 -1.257 -9.995 7.986 1.00 10.00 C ATOM 344 CG LEU A 29 0.054 -9.396 7.538 1.00 10.00 C ATOM 345 CD1 LEU A 29 -0.186 -8.462 6.385 1.00 10.00 C ATOM 346 CD2 LEU A 29 0.746 -8.689 8.683 1.00 10.00 C ATOM 0 H LEU A 29 -0.210 -12.285 8.183 1.00 10.00 H new ATOM 0 HA LEU A 29 -0.777 -10.223 10.049 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -1.638 -10.622 7.180 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -1.972 -9.184 8.124 1.00 10.00 H new ATOM 0 HG LEU A 29 0.715 -10.197 7.206 1.00 10.00 H new ATOM 0 HD11 LEU A 29 0.762 -8.030 6.063 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.634 -9.013 5.558 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -0.860 -7.665 6.697 1.00 10.00 H new ATOM 0 HD21 LEU A 29 1.688 -8.266 8.334 1.00 10.00 H new ATOM 0 HD22 LEU A 29 0.106 -7.890 9.057 1.00 10.00 H new ATOM 0 HD23 LEU A 29 0.943 -9.401 9.484 1.00 10.00 H new ATOM 358 N THR A 30 -3.292 -10.191 10.151 1.00 10.00 N ATOM 359 CA THR A 30 -4.623 -10.275 10.596 1.00 10.00 C ATOM 360 C THR A 30 -5.535 -9.385 9.805 1.00 10.00 C ATOM 361 O THR A 30 -5.170 -8.260 9.481 1.00 10.00 O ATOM 362 CB THR A 30 -4.669 -9.868 12.021 1.00 10.00 C ATOM 363 OG1 THR A 30 -3.406 -9.264 12.408 1.00 10.00 O ATOM 364 CG2 THR A 30 -4.977 -11.043 12.875 1.00 10.00 C ATOM 0 H THR A 30 -2.891 -9.259 10.261 1.00 10.00 H new ATOM 0 HA THR A 30 -4.964 -11.302 10.466 1.00 10.00 H new ATOM 0 HB THR A 30 -5.458 -9.128 12.157 1.00 10.00 H new ATOM 0 HG1 THR A 30 -3.544 -8.314 12.604 1.00 10.00 H new ATOM 0 HG21 THR A 30 -5.009 -10.735 13.920 1.00 10.00 H new ATOM 0 HG22 THR A 30 -5.944 -11.457 12.589 1.00 10.00 H new ATOM 0 HG23 THR A 30 -4.205 -11.801 12.744 1.00 10.00 H new ATOM 372 N LEU A 31 -6.721 -9.892 9.513 1.00 10.00 N ATOM 373 CA LEU A 31 -7.762 -9.192 8.757 1.00 10.00 C ATOM 374 C LEU A 31 -8.037 -7.838 9.335 1.00 10.00 C ATOM 375 O LEU A 31 -8.089 -6.869 8.606 1.00 10.00 O ATOM 376 CB LEU A 31 -9.024 -9.995 8.841 1.00 10.00 C ATOM 377 CG LEU A 31 -10.264 -9.493 8.091 1.00 10.00 C ATOM 378 CD1 LEU A 31 -10.053 -9.506 6.590 1.00 10.00 C ATOM 379 CD2 LEU A 31 -11.477 -10.326 8.468 1.00 10.00 C ATOM 0 H LEU A 31 -7.001 -10.830 9.801 1.00 10.00 H new ATOM 0 HA LEU A 31 -7.423 -9.074 7.728 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -8.802 -10.999 8.479 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -9.289 -10.087 9.894 1.00 10.00 H new ATOM 0 HG LEU A 31 -10.439 -8.459 8.387 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -10.953 -9.144 6.093 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -9.213 -8.860 6.335 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -9.841 -10.523 6.261 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -12.351 -9.960 7.929 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -11.298 -11.369 8.205 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -11.653 -10.248 9.541 1.00 10.00 H new ATOM 391 N ARG A 32 -8.143 -7.744 10.654 1.00 10.00 N ATOM 392 CA ARG A 32 -8.512 -6.472 11.245 1.00 10.00 C ATOM 393 C ARG A 32 -7.411 -5.450 11.021 1.00 10.00 C ATOM 394 O ARG A 32 -7.662 -4.259 10.979 1.00 10.00 O ATOM 395 CB ARG A 32 -8.870 -6.574 12.727 1.00 10.00 C ATOM 396 CG ARG A 32 -9.519 -5.300 13.262 1.00 10.00 C ATOM 397 CD ARG A 32 -10.894 -5.088 12.621 1.00 10.00 C ATOM 398 NE ARG A 32 -11.538 -3.841 13.044 1.00 10.00 N ATOM 399 CZ ARG A 32 -12.510 -3.210 12.368 1.00 10.00 C ATOM 400 NH1 ARG A 32 -13.024 -3.766 11.272 1.00 10.00 N ATOM 401 NH2 ARG A 32 -12.975 -2.038 12.813 1.00 10.00 N ATOM 0 H ARG A 32 -7.984 -8.506 11.313 1.00 10.00 H new ATOM 0 HA ARG A 32 -9.420 -6.142 10.740 1.00 10.00 H new ATOM 0 HB2 ARG A 32 -9.549 -7.414 12.876 1.00 10.00 H new ATOM 0 HB3 ARG A 32 -7.968 -6.787 13.301 1.00 10.00 H new ATOM 0 HG2 ARG A 32 -9.622 -5.365 14.345 1.00 10.00 H new ATOM 0 HG3 ARG A 32 -8.878 -4.443 13.054 1.00 10.00 H new ATOM 0 HD2 ARG A 32 -10.786 -5.085 11.536 1.00 10.00 H new ATOM 0 HD3 ARG A 32 -11.540 -5.928 12.875 1.00 10.00 H new ATOM 0 HE ARG A 32 -11.223 -3.421 13.919 1.00 10.00 H new ATOM 0 HH11 ARG A 32 -12.679 -4.670 10.948 1.00 10.00 H new ATOM 0 HH12 ARG A 32 -13.763 -3.288 10.756 1.00 10.00 H new ATOM 0 HH21 ARG A 32 -12.591 -1.627 13.664 1.00 10.00 H new ATOM 0 HH22 ARG A 32 -13.714 -1.555 12.302 1.00 10.00 H new ATOM 415 N ASP A 33 -6.207 -5.940 10.820 1.00 10.00 N ATOM 416 CA ASP A 33 -5.096 -5.095 10.504 1.00 10.00 C ATOM 417 C ASP A 33 -5.193 -4.613 9.073 1.00 10.00 C ATOM 418 O ASP A 33 -4.855 -3.487 8.809 1.00 10.00 O ATOM 419 CB ASP A 33 -3.739 -5.756 10.793 1.00 10.00 C ATOM 420 CG ASP A 33 -3.428 -5.834 12.276 1.00 10.00 C ATOM 421 OD1 ASP A 33 -3.879 -6.798 12.943 1.00 10.00 O ATOM 422 OD2 ASP A 33 -2.739 -4.938 12.804 1.00 10.00 O ATOM 0 H ASP A 33 -5.980 -6.933 10.873 1.00 10.00 H new ATOM 0 HA ASP A 33 -5.148 -4.230 11.165 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -3.732 -6.761 10.371 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -2.952 -5.194 10.290 1.00 10.00 H new ATOM 427 N LEU A 34 -5.727 -5.447 8.142 1.00 10.00 N ATOM 428 CA LEU A 34 -5.907 -4.962 6.730 1.00 10.00 C ATOM 429 C LEU A 34 -6.993 -3.931 6.714 1.00 10.00 C ATOM 430 O LEU A 34 -6.897 -2.887 6.053 1.00 10.00 O ATOM 431 CB LEU A 34 -6.286 -6.069 5.702 1.00 10.00 C ATOM 432 CG LEU A 34 -5.235 -7.112 5.297 1.00 10.00 C ATOM 433 CD1 LEU A 34 -3.979 -6.462 4.733 1.00 10.00 C ATOM 434 CD2 LEU A 34 -4.909 -7.994 6.447 1.00 10.00 C ATOM 0 H LEU A 34 -6.028 -6.406 8.318 1.00 10.00 H new ATOM 0 HA LEU A 34 -4.938 -4.568 6.424 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -7.144 -6.608 6.103 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -6.620 -5.570 4.792 1.00 10.00 H new ATOM 0 HG LEU A 34 -5.663 -7.722 4.502 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -3.261 -7.235 4.459 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -4.237 -5.877 3.850 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -3.538 -5.808 5.486 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -4.162 -8.728 6.143 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -4.514 -7.393 7.266 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -5.811 -8.510 6.777 1.00 10.00 H new ATOM 446 N LEU A 35 -8.015 -4.227 7.476 1.00 10.00 N ATOM 447 CA LEU A 35 -9.191 -3.380 7.599 1.00 10.00 C ATOM 448 C LEU A 35 -8.869 -2.122 8.386 1.00 10.00 C ATOM 449 O LEU A 35 -9.606 -1.143 8.341 1.00 10.00 O ATOM 450 CB LEU A 35 -10.387 -4.172 8.178 1.00 10.00 C ATOM 451 CG LEU A 35 -11.088 -5.180 7.212 1.00 10.00 C ATOM 452 CD1 LEU A 35 -11.861 -4.439 6.140 1.00 10.00 C ATOM 453 CD2 LEU A 35 -10.073 -6.088 6.548 1.00 10.00 C ATOM 0 H LEU A 35 -8.061 -5.075 8.041 1.00 10.00 H new ATOM 0 HA LEU A 35 -9.495 -3.053 6.605 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -10.040 -4.722 9.053 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -11.133 -3.458 8.526 1.00 10.00 H new ATOM 0 HG LEU A 35 -11.774 -5.783 7.807 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -12.343 -5.157 5.476 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -12.620 -3.811 6.607 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -11.178 -3.815 5.564 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -10.586 -6.780 5.881 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -9.367 -5.487 5.975 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -9.535 -6.651 7.311 1.00 10.00 H new ATOM 465 N ASP A 36 -7.795 -2.184 9.128 1.00 10.00 N ATOM 466 CA ASP A 36 -7.211 -0.989 9.761 1.00 10.00 C ATOM 467 C ASP A 36 -6.393 -0.213 8.728 1.00 10.00 C ATOM 468 O ASP A 36 -6.558 0.986 8.585 1.00 10.00 O ATOM 469 CB ASP A 36 -6.298 -1.351 10.942 1.00 10.00 C ATOM 470 CG ASP A 36 -5.664 -0.127 11.597 1.00 10.00 C ATOM 471 OD1 ASP A 36 -4.627 0.374 11.101 1.00 10.00 O ATOM 472 OD2 ASP A 36 -6.166 0.333 12.636 1.00 10.00 O ATOM 0 H ASP A 36 -7.290 -3.049 9.321 1.00 10.00 H new ATOM 0 HA ASP A 36 -8.034 -0.383 10.139 1.00 10.00 H new ATOM 0 HB2 ASP A 36 -6.876 -1.898 11.687 1.00 10.00 H new ATOM 0 HB3 ASP A 36 -5.511 -2.020 10.595 1.00 10.00 H new ATOM 477 N ILE A 37 -5.510 -0.934 8.011 1.00 10.00 N ATOM 478 CA ILE A 37 -4.634 -0.371 6.963 1.00 10.00 C ATOM 479 C ILE A 37 -5.412 0.492 5.990 1.00 10.00 C ATOM 480 O ILE A 37 -5.037 1.637 5.760 1.00 10.00 O ATOM 481 CB ILE A 37 -3.881 -1.498 6.180 1.00 10.00 C ATOM 482 CG1 ILE A 37 -2.820 -2.146 7.065 1.00 10.00 C ATOM 483 CG2 ILE A 37 -3.230 -0.967 4.892 1.00 10.00 C ATOM 484 CD1 ILE A 37 -2.357 -3.497 6.563 1.00 10.00 C ATOM 0 H ILE A 37 -5.383 -1.937 8.144 1.00 10.00 H new ATOM 0 HA ILE A 37 -3.899 0.254 7.472 1.00 10.00 H new ATOM 0 HB ILE A 37 -4.624 -2.244 5.897 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -1.960 -1.479 7.135 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -3.219 -2.259 8.073 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -2.718 -1.782 4.380 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -3.999 -0.554 4.239 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -2.510 -0.188 5.143 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -1.603 -3.898 7.241 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -3.206 -4.179 6.519 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -1.928 -3.388 5.567 1.00 10.00 H new ATOM 496 N VAL A 38 -6.492 -0.053 5.447 1.00 10.00 N ATOM 497 CA VAL A 38 -7.344 0.686 4.502 1.00 10.00 C ATOM 498 C VAL A 38 -7.792 2.051 5.085 1.00 10.00 C ATOM 499 O VAL A 38 -7.690 3.083 4.415 1.00 10.00 O ATOM 500 CB VAL A 38 -8.567 -0.174 3.990 1.00 10.00 C ATOM 501 CG1 VAL A 38 -9.378 -0.735 5.127 1.00 10.00 C ATOM 502 CG2 VAL A 38 -9.467 0.614 3.043 1.00 10.00 C ATOM 0 H VAL A 38 -6.806 -1.004 5.640 1.00 10.00 H new ATOM 0 HA VAL A 38 -6.732 0.896 3.624 1.00 10.00 H new ATOM 0 HB VAL A 38 -8.137 -1.007 3.434 1.00 10.00 H new ATOM 0 HG11 VAL A 38 -10.208 -1.319 4.729 1.00 10.00 H new ATOM 0 HG12 VAL A 38 -8.747 -1.375 5.743 1.00 10.00 H new ATOM 0 HG13 VAL A 38 -9.768 0.082 5.734 1.00 10.00 H new ATOM 0 HG21 VAL A 38 -10.294 -0.017 2.717 1.00 10.00 H new ATOM 0 HG22 VAL A 38 -9.861 1.489 3.559 1.00 10.00 H new ATOM 0 HG23 VAL A 38 -8.890 0.934 2.175 1.00 10.00 H new ATOM 512 N GLU A 39 -8.184 2.047 6.346 1.00 10.00 N ATOM 513 CA GLU A 39 -8.621 3.244 7.048 1.00 10.00 C ATOM 514 C GLU A 39 -7.452 4.190 7.261 1.00 10.00 C ATOM 515 O GLU A 39 -7.443 5.317 6.747 1.00 10.00 O ATOM 516 CB GLU A 39 -9.210 2.851 8.398 1.00 10.00 C ATOM 517 CG GLU A 39 -10.427 1.968 8.296 1.00 10.00 C ATOM 518 CD GLU A 39 -11.600 2.683 7.708 1.00 10.00 C ATOM 519 OE1 GLU A 39 -11.729 2.742 6.480 1.00 10.00 O ATOM 520 OE2 GLU A 39 -12.442 3.178 8.477 1.00 10.00 O ATOM 0 H GLU A 39 -8.209 1.204 6.920 1.00 10.00 H new ATOM 0 HA GLU A 39 -9.377 3.750 6.447 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -8.447 2.336 8.981 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -9.474 3.755 8.946 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -10.191 1.098 7.684 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -10.689 1.599 9.288 1.00 10.00 H new ATOM 527 N THR A 40 -6.456 3.692 7.972 1.00 10.00 N ATOM 528 CA THR A 40 -5.267 4.424 8.354 1.00 10.00 C ATOM 529 C THR A 40 -4.564 5.072 7.142 1.00 10.00 C ATOM 530 O THR A 40 -4.128 6.240 7.207 1.00 10.00 O ATOM 531 CB THR A 40 -4.298 3.456 9.086 1.00 10.00 C ATOM 532 OG1 THR A 40 -4.990 2.872 10.206 1.00 10.00 O ATOM 533 CG2 THR A 40 -3.062 4.179 9.592 1.00 10.00 C ATOM 0 H THR A 40 -6.456 2.730 8.311 1.00 10.00 H new ATOM 0 HA THR A 40 -5.563 5.237 9.017 1.00 10.00 H new ATOM 0 HB THR A 40 -3.977 2.690 8.380 1.00 10.00 H new ATOM 0 HG1 THR A 40 -4.685 1.949 10.334 1.00 10.00 H new ATOM 0 HG21 THR A 40 -2.407 3.470 10.099 1.00 10.00 H new ATOM 0 HG22 THR A 40 -2.532 4.625 8.751 1.00 10.00 H new ATOM 0 HG23 THR A 40 -3.359 4.962 10.290 1.00 10.00 H new ATOM 541 N SER A 41 -4.501 4.337 6.048 1.00 10.00 N ATOM 542 CA SER A 41 -3.835 4.782 4.858 1.00 10.00 C ATOM 543 C SER A 41 -4.590 5.947 4.204 1.00 10.00 C ATOM 544 O SER A 41 -4.050 7.044 4.090 1.00 10.00 O ATOM 545 CB SER A 41 -3.666 3.604 3.876 1.00 10.00 C ATOM 546 OG SER A 41 -2.845 3.941 2.778 1.00 10.00 O ATOM 0 H SER A 41 -4.916 3.409 5.969 1.00 10.00 H new ATOM 0 HA SER A 41 -2.846 5.150 5.130 1.00 10.00 H new ATOM 0 HB2 SER A 41 -3.235 2.753 4.403 1.00 10.00 H new ATOM 0 HB3 SER A 41 -4.645 3.292 3.513 1.00 10.00 H new ATOM 0 HG SER A 41 -3.257 3.618 1.950 1.00 10.00 H new ATOM 552 N GLN A 42 -5.861 5.732 3.853 1.00 10.00 N ATOM 553 CA GLN A 42 -6.620 6.732 3.092 1.00 10.00 C ATOM 554 C GLN A 42 -6.856 8.002 3.880 1.00 10.00 C ATOM 555 O GLN A 42 -6.863 9.088 3.316 1.00 10.00 O ATOM 556 CB GLN A 42 -7.951 6.168 2.614 1.00 10.00 C ATOM 557 CG GLN A 42 -8.938 5.877 3.711 1.00 10.00 C ATOM 558 CD GLN A 42 -10.116 5.101 3.231 1.00 10.00 C ATOM 559 OE1 GLN A 42 -10.539 5.207 2.069 1.00 10.00 O ATOM 560 NE2 GLN A 42 -10.671 4.344 4.107 1.00 10.00 N ATOM 0 H GLN A 42 -6.382 4.885 4.080 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.008 6.985 2.227 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.401 6.875 1.917 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -7.763 5.249 2.059 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.440 5.320 4.505 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -9.279 6.816 4.146 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -10.287 4.289 5.050 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -11.496 3.797 3.859 1.00 10.00 H new ATOM 569 N ALA A 43 -7.016 7.862 5.173 1.00 10.00 N ATOM 570 CA ALA A 43 -7.317 8.981 6.019 1.00 10.00 C ATOM 571 C ALA A 43 -6.104 9.894 6.178 1.00 10.00 C ATOM 572 O ALA A 43 -6.223 11.120 6.079 1.00 10.00 O ATOM 573 CB ALA A 43 -7.883 8.492 7.337 1.00 10.00 C ATOM 0 H ALA A 43 -6.941 6.971 5.663 1.00 10.00 H new ATOM 0 HA ALA A 43 -8.086 9.596 5.551 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -8.110 9.346 7.975 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -8.795 7.924 7.153 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -7.152 7.853 7.832 1.00 10.00 H new ATOM 579 N HIS A 44 -4.921 9.308 6.348 1.00 10.00 N ATOM 580 CA HIS A 44 -3.724 10.131 6.428 1.00 10.00 C ATOM 581 C HIS A 44 -3.369 10.630 5.052 1.00 10.00 C ATOM 582 O HIS A 44 -2.848 11.716 4.911 1.00 10.00 O ATOM 583 CB HIS A 44 -2.528 9.404 7.056 1.00 10.00 C ATOM 584 CG HIS A 44 -1.288 10.278 7.222 1.00 10.00 C ATOM 585 ND1 HIS A 44 -0.043 9.912 6.771 1.00 10.00 N ATOM 586 CD2 HIS A 44 -1.119 11.492 7.809 1.00 10.00 C ATOM 587 CE1 HIS A 44 0.833 10.844 7.072 1.00 10.00 C ATOM 588 NE2 HIS A 44 0.210 11.815 7.702 1.00 10.00 N ATOM 0 H HIS A 44 -4.770 8.303 6.430 1.00 10.00 H new ATOM 0 HA HIS A 44 -3.951 10.968 7.089 1.00 10.00 H new ATOM 0 HB2 HIS A 44 -2.822 9.019 8.032 1.00 10.00 H new ATOM 0 HB3 HIS A 44 -2.273 8.543 6.437 1.00 10.00 H new ATOM 0 HD2 HIS A 44 -1.888 12.091 8.273 1.00 10.00 H new ATOM 0 HE1 HIS A 44 1.888 10.817 6.841 1.00 10.00 H new ATOM 0 HE2 HIS A 44 0.644 12.669 8.054 1.00 10.00 H new ATOM 597 N ASN A 45 -3.659 9.837 4.044 1.00 10.00 N ATOM 598 CA ASN A 45 -3.420 10.241 2.669 1.00 10.00 C ATOM 599 C ASN A 45 -4.262 11.421 2.281 1.00 10.00 C ATOM 600 O ASN A 45 -3.765 12.355 1.689 1.00 10.00 O ATOM 601 CB ASN A 45 -3.585 9.087 1.670 1.00 10.00 C ATOM 602 CG ASN A 45 -2.333 8.247 1.540 1.00 10.00 C ATOM 603 OD1 ASN A 45 -1.547 8.153 2.457 1.00 10.00 O ATOM 604 ND2 ASN A 45 -2.128 7.656 0.388 1.00 10.00 N ATOM 0 H ASN A 45 -4.062 8.906 4.147 1.00 10.00 H new ATOM 0 HA ASN A 45 -2.375 10.546 2.622 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -4.413 8.452 1.987 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -3.850 9.492 0.693 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -1.287 7.097 0.244 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -2.810 7.755 -0.364 1.00 10.00 H new ATOM 611 N ALA A 46 -5.527 11.403 2.662 1.00 10.00 N ATOM 612 CA ALA A 46 -6.432 12.511 2.385 1.00 10.00 C ATOM 613 C ALA A 46 -5.923 13.782 3.050 1.00 10.00 C ATOM 614 O ALA A 46 -6.025 14.880 2.495 1.00 10.00 O ATOM 615 CB ALA A 46 -7.828 12.192 2.891 1.00 10.00 C ATOM 0 H ALA A 46 -5.956 10.628 3.168 1.00 10.00 H new ATOM 0 HA ALA A 46 -6.473 12.663 1.306 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -8.493 13.029 2.677 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -8.200 11.297 2.393 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -7.795 12.021 3.967 1.00 10.00 H new ATOM 621 N ARG A 47 -5.365 13.613 4.229 1.00 10.00 N ATOM 622 CA ARG A 47 -4.831 14.710 5.003 1.00 10.00 C ATOM 623 C ARG A 47 -3.508 15.195 4.419 1.00 10.00 C ATOM 624 O ARG A 47 -3.339 16.387 4.138 1.00 10.00 O ATOM 625 CB ARG A 47 -4.609 14.262 6.440 1.00 10.00 C ATOM 626 CG ARG A 47 -4.465 15.389 7.460 1.00 10.00 C ATOM 627 CD ARG A 47 -5.796 16.086 7.709 1.00 10.00 C ATOM 628 NE ARG A 47 -6.795 15.165 8.278 1.00 10.00 N ATOM 629 CZ ARG A 47 -8.125 15.339 8.234 1.00 10.00 C ATOM 630 NH1 ARG A 47 -8.637 16.434 7.700 1.00 10.00 N ATOM 631 NH2 ARG A 47 -8.940 14.428 8.757 1.00 10.00 N ATOM 0 H ARG A 47 -5.269 12.703 4.680 1.00 10.00 H new ATOM 0 HA ARG A 47 -5.548 15.530 4.974 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -5.444 13.628 6.739 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -3.711 13.645 6.476 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -4.082 14.986 8.398 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -3.734 16.114 7.103 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -5.646 16.925 8.388 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -6.172 16.498 6.772 1.00 10.00 H new ATOM 0 HE ARG A 47 -6.448 14.327 8.743 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -8.021 17.152 7.319 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -9.649 16.561 7.669 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -8.555 13.591 9.195 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -9.950 14.566 8.720 1.00 10.00 H new ATOM 645 N ALA A 48 -2.588 14.270 4.219 1.00 10.00 N ATOM 646 CA ALA A 48 -1.264 14.598 3.755 1.00 10.00 C ATOM 647 C ALA A 48 -1.214 14.902 2.270 1.00 10.00 C ATOM 648 O ALA A 48 -0.156 15.239 1.760 1.00 10.00 O ATOM 649 CB ALA A 48 -0.275 13.519 4.115 1.00 10.00 C ATOM 0 H ALA A 48 -2.742 13.274 4.375 1.00 10.00 H new ATOM 0 HA ALA A 48 -0.980 15.515 4.271 1.00 10.00 H new ATOM 0 HB1 ALA A 48 0.714 13.796 3.751 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -0.243 13.401 5.198 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.580 12.578 3.656 1.00 10.00 H new ATOM 655 N GLN A 49 -2.384 14.791 1.584 1.00 10.00 N ATOM 656 CA GLN A 49 -2.563 15.148 0.139 1.00 10.00 C ATOM 657 C GLN A 49 -1.970 14.063 -0.757 1.00 10.00 C ATOM 658 O GLN A 49 -1.755 14.251 -1.959 1.00 10.00 O ATOM 659 CB GLN A 49 -1.939 16.514 -0.136 1.00 10.00 C ATOM 660 CG GLN A 49 -2.404 17.555 0.819 1.00 10.00 C ATOM 661 CD GLN A 49 -1.298 18.518 1.162 1.00 10.00 C ATOM 662 OE1 GLN A 49 -1.111 19.547 0.511 1.00 10.00 O ATOM 663 NE2 GLN A 49 -0.523 18.157 2.160 1.00 10.00 N ATOM 0 H GLN A 49 -3.241 14.448 2.018 1.00 10.00 H new ATOM 0 HA GLN A 49 -3.627 15.211 -0.090 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -0.854 16.432 -0.079 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -2.183 16.823 -1.152 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.242 18.100 0.386 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -2.770 17.079 1.729 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -0.717 17.296 2.671 1.00 10.00 H new ATOM 0 HE22 GLN A 49 0.273 18.738 2.424 1.00 10.00 H new ATOM 672 N LEU A 50 -1.757 12.938 -0.144 1.00 10.00 N ATOM 673 CA LEU A 50 -1.234 11.745 -0.760 1.00 10.00 C ATOM 674 C LEU A 50 -2.328 10.966 -1.479 1.00 10.00 C ATOM 675 O LEU A 50 -3.449 10.815 -0.977 1.00 10.00 O ATOM 676 CB LEU A 50 -0.597 10.868 0.312 1.00 10.00 C ATOM 677 CG LEU A 50 0.864 11.128 0.674 1.00 10.00 C ATOM 678 CD1 LEU A 50 1.149 12.581 0.934 1.00 10.00 C ATOM 679 CD2 LEU A 50 1.269 10.300 1.871 1.00 10.00 C ATOM 0 H LEU A 50 -1.952 12.816 0.850 1.00 10.00 H new ATOM 0 HA LEU A 50 -0.489 12.036 -1.500 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -1.190 10.968 1.221 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -0.682 9.830 -0.011 1.00 10.00 H new ATOM 0 HG LEU A 50 1.457 10.833 -0.192 1.00 10.00 H new ATOM 0 HD11 LEU A 50 2.202 12.706 1.186 1.00 10.00 H new ATOM 0 HD12 LEU A 50 0.919 13.162 0.041 1.00 10.00 H new ATOM 0 HD13 LEU A 50 0.533 12.930 1.763 1.00 10.00 H new ATOM 0 HD21 LEU A 50 2.313 10.498 2.114 1.00 10.00 H new ATOM 0 HD22 LEU A 50 0.642 10.561 2.723 1.00 10.00 H new ATOM 0 HD23 LEU A 50 1.145 9.242 1.640 1.00 10.00 H new ATOM 691 N THR A 51 -2.018 10.502 -2.652 1.00 10.00 N ATOM 692 CA THR A 51 -2.913 9.739 -3.454 1.00 10.00 C ATOM 693 C THR A 51 -2.310 8.357 -3.690 1.00 10.00 C ATOM 694 O THR A 51 -1.113 8.197 -3.601 1.00 10.00 O ATOM 695 CB THR A 51 -3.227 10.526 -4.722 1.00 10.00 C ATOM 696 OG1 THR A 51 -2.030 10.862 -5.403 1.00 10.00 O ATOM 697 CG2 THR A 51 -3.872 11.806 -4.286 1.00 10.00 C ATOM 0 H THR A 51 -1.107 10.651 -3.086 1.00 10.00 H new ATOM 0 HA THR A 51 -3.869 9.568 -2.960 1.00 10.00 H new ATOM 0 HB THR A 51 -3.863 9.935 -5.381 1.00 10.00 H new ATOM 0 HG1 THR A 51 -2.113 10.621 -6.349 1.00 10.00 H new ATOM 0 HG21 THR A 51 -4.117 12.407 -5.162 1.00 10.00 H new ATOM 0 HG22 THR A 51 -4.784 11.584 -3.732 1.00 10.00 H new ATOM 0 HG23 THR A 51 -3.185 12.360 -3.646 1.00 10.00 H new ATOM 705 N GLY A 52 -3.122 7.360 -3.903 1.00 10.00 N ATOM 706 CA GLY A 52 -2.596 6.027 -3.849 1.00 10.00 C ATOM 707 C GLY A 52 -3.506 4.993 -4.376 1.00 10.00 C ATOM 708 O GLY A 52 -4.598 5.282 -4.827 1.00 10.00 O ATOM 0 H GLY A 52 -4.118 7.439 -4.109 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -1.663 5.994 -4.412 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -2.353 5.787 -2.814 1.00 10.00 H new ATOM 712 N ALA A 53 -3.039 3.810 -4.362 1.00 10.00 N ATOM 713 CA ALA A 53 -3.806 2.638 -4.691 1.00 10.00 C ATOM 714 C ALA A 53 -3.034 1.437 -4.242 1.00 10.00 C ATOM 715 O ALA A 53 -1.820 1.519 -4.040 1.00 10.00 O ATOM 716 CB ALA A 53 -4.171 2.551 -6.171 1.00 10.00 C ATOM 0 H ALA A 53 -2.072 3.602 -4.113 1.00 10.00 H new ATOM 0 HA ALA A 53 -4.762 2.691 -4.171 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -4.749 1.644 -6.351 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -4.765 3.421 -6.451 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -3.260 2.526 -6.769 1.00 10.00 H new ATOM 722 N LEU A 54 -3.710 0.355 -4.068 1.00 10.00 N ATOM 723 CA LEU A 54 -3.103 -0.840 -3.599 1.00 10.00 C ATOM 724 C LEU A 54 -3.507 -1.976 -4.491 1.00 10.00 C ATOM 725 O LEU A 54 -4.649 -2.037 -4.946 1.00 10.00 O ATOM 726 CB LEU A 54 -3.509 -1.062 -2.109 1.00 10.00 C ATOM 727 CG LEU A 54 -3.076 -2.361 -1.381 1.00 10.00 C ATOM 728 CD1 LEU A 54 -3.152 -2.152 0.097 1.00 10.00 C ATOM 729 CD2 LEU A 54 -3.993 -3.519 -1.733 1.00 10.00 C ATOM 0 H LEU A 54 -4.711 0.275 -4.249 1.00 10.00 H new ATOM 0 HA LEU A 54 -2.016 -0.774 -3.633 1.00 10.00 H new ATOM 0 HB2 LEU A 54 -3.118 -0.221 -1.536 1.00 10.00 H new ATOM 0 HB3 LEU A 54 -4.596 -1.006 -2.056 1.00 10.00 H new ATOM 0 HG LEU A 54 -2.059 -2.595 -1.694 1.00 10.00 H new ATOM 0 HD11 LEU A 54 -2.848 -3.065 0.610 1.00 10.00 H new ATOM 0 HD12 LEU A 54 -2.488 -1.336 0.384 1.00 10.00 H new ATOM 0 HD13 LEU A 54 -4.175 -1.902 0.377 1.00 10.00 H new ATOM 0 HD21 LEU A 54 -3.665 -4.416 -1.208 1.00 10.00 H new ATOM 0 HD22 LEU A 54 -5.014 -3.278 -1.436 1.00 10.00 H new ATOM 0 HD23 LEU A 54 -3.960 -3.696 -2.808 1.00 10.00 H new ATOM 741 N PHE A 55 -2.577 -2.842 -4.758 1.00 10.00 N ATOM 742 CA PHE A 55 -2.815 -4.020 -5.536 1.00 10.00 C ATOM 743 C PHE A 55 -2.330 -5.222 -4.744 1.00 10.00 C ATOM 744 O PHE A 55 -1.142 -5.418 -4.555 1.00 10.00 O ATOM 745 CB PHE A 55 -2.114 -3.950 -6.907 1.00 10.00 C ATOM 746 CG PHE A 55 -2.629 -2.868 -7.829 1.00 10.00 C ATOM 747 CD1 PHE A 55 -3.784 -3.061 -8.559 1.00 10.00 C ATOM 748 CD2 PHE A 55 -1.946 -1.675 -7.982 1.00 10.00 C ATOM 749 CE1 PHE A 55 -4.254 -2.090 -9.423 1.00 10.00 C ATOM 750 CE2 PHE A 55 -2.415 -0.697 -8.844 1.00 10.00 C ATOM 751 CZ PHE A 55 -3.567 -0.907 -9.565 1.00 10.00 C ATOM 0 H PHE A 55 -1.614 -2.748 -4.435 1.00 10.00 H new ATOM 0 HA PHE A 55 -3.883 -4.107 -5.735 1.00 10.00 H new ATOM 0 HB2 PHE A 55 -1.047 -3.793 -6.746 1.00 10.00 H new ATOM 0 HB3 PHE A 55 -2.223 -4.914 -7.404 1.00 10.00 H new ATOM 0 HD1 PHE A 55 -4.330 -3.987 -8.453 1.00 10.00 H new ATOM 0 HD2 PHE A 55 -1.037 -1.504 -7.424 1.00 10.00 H new ATOM 0 HE1 PHE A 55 -5.160 -2.260 -9.986 1.00 10.00 H new ATOM 0 HE2 PHE A 55 -1.875 0.232 -8.950 1.00 10.00 H new ATOM 0 HZ PHE A 55 -3.931 -0.146 -10.240 1.00 10.00 H new ATOM 761 N TYR A 56 -3.250 -5.988 -4.246 1.00 10.00 N ATOM 762 CA TYR A 56 -2.926 -7.159 -3.469 1.00 10.00 C ATOM 763 C TYR A 56 -3.473 -8.343 -4.233 1.00 10.00 C ATOM 764 O TYR A 56 -4.678 -8.432 -4.449 1.00 10.00 O ATOM 765 CB TYR A 56 -3.575 -7.044 -2.049 1.00 10.00 C ATOM 766 CG TYR A 56 -3.245 -8.133 -1.011 1.00 10.00 C ATOM 767 CD1 TYR A 56 -3.019 -9.459 -1.367 1.00 10.00 C ATOM 768 CD2 TYR A 56 -3.197 -7.815 0.346 1.00 10.00 C ATOM 769 CE1 TYR A 56 -2.755 -10.420 -0.422 1.00 10.00 C ATOM 770 CE2 TYR A 56 -2.928 -8.779 1.298 1.00 10.00 C ATOM 771 CZ TYR A 56 -2.709 -10.081 0.906 1.00 10.00 C ATOM 772 OH TYR A 56 -2.446 -11.046 1.846 1.00 10.00 O ATOM 0 H TYR A 56 -4.250 -5.825 -4.363 1.00 10.00 H new ATOM 0 HA TYR A 56 -1.852 -7.269 -3.322 1.00 10.00 H new ATOM 0 HB2 TYR A 56 -3.285 -6.082 -1.627 1.00 10.00 H new ATOM 0 HB3 TYR A 56 -4.657 -7.023 -2.178 1.00 10.00 H new ATOM 0 HD1 TYR A 56 -3.052 -9.739 -2.410 1.00 10.00 H new ATOM 0 HD2 TYR A 56 -3.373 -6.796 0.658 1.00 10.00 H new ATOM 0 HE1 TYR A 56 -2.584 -11.442 -0.725 1.00 10.00 H new ATOM 0 HE2 TYR A 56 -2.890 -8.513 2.344 1.00 10.00 H new ATOM 0 HH TYR A 56 -2.448 -10.642 2.739 1.00 10.00 H new ATOM 782 N SER A 57 -2.603 -9.200 -4.682 1.00 10.00 N ATOM 783 CA SER A 57 -3.017 -10.356 -5.407 1.00 10.00 C ATOM 784 C SER A 57 -2.389 -11.624 -4.817 1.00 10.00 C ATOM 785 O SER A 57 -1.219 -11.942 -5.076 1.00 10.00 O ATOM 786 CB SER A 57 -2.731 -10.184 -6.915 1.00 10.00 C ATOM 787 OG SER A 57 -1.372 -9.825 -7.158 1.00 10.00 O ATOM 0 H SER A 57 -1.595 -9.115 -4.555 1.00 10.00 H new ATOM 0 HA SER A 57 -4.096 -10.472 -5.306 1.00 10.00 H new ATOM 0 HB2 SER A 57 -2.961 -11.113 -7.437 1.00 10.00 H new ATOM 0 HB3 SER A 57 -3.389 -9.417 -7.325 1.00 10.00 H new ATOM 0 HG SER A 57 -1.227 -9.726 -8.122 1.00 10.00 H new ATOM 793 N GLN A 58 -3.164 -12.287 -3.968 1.00 10.00 N ATOM 794 CA GLN A 58 -2.806 -13.534 -3.274 1.00 10.00 C ATOM 795 C GLN A 58 -1.700 -13.352 -2.228 1.00 10.00 C ATOM 796 O GLN A 58 -1.973 -13.340 -1.033 1.00 10.00 O ATOM 797 CB GLN A 58 -2.480 -14.689 -4.245 1.00 10.00 C ATOM 798 CG GLN A 58 -2.173 -16.009 -3.545 1.00 10.00 C ATOM 799 CD GLN A 58 -3.324 -16.493 -2.697 1.00 10.00 C ATOM 800 OE1 GLN A 58 -3.432 -16.161 -1.521 1.00 10.00 O ATOM 801 NE2 GLN A 58 -4.185 -17.268 -3.277 1.00 10.00 N ATOM 0 H GLN A 58 -4.101 -11.963 -3.729 1.00 10.00 H new ATOM 0 HA GLN A 58 -3.705 -13.819 -2.728 1.00 10.00 H new ATOM 0 HB2 GLN A 58 -3.323 -14.833 -4.920 1.00 10.00 H new ATOM 0 HB3 GLN A 58 -1.625 -14.406 -4.859 1.00 10.00 H new ATOM 0 HG2 GLN A 58 -1.932 -16.766 -4.292 1.00 10.00 H new ATOM 0 HG3 GLN A 58 -1.290 -15.888 -2.918 1.00 10.00 H new ATOM 0 HE21 GLN A 58 -4.063 -17.523 -4.257 1.00 10.00 H new ATOM 0 HE22 GLN A 58 -4.985 -17.623 -2.754 1.00 10.00 H new ATOM 810 N GLY A 59 -0.479 -13.219 -2.681 1.00 10.00 N ATOM 811 CA GLY A 59 0.626 -13.083 -1.776 1.00 10.00 C ATOM 812 C GLY A 59 1.383 -11.811 -1.996 1.00 10.00 C ATOM 813 O GLY A 59 1.917 -11.234 -1.061 1.00 10.00 O ATOM 0 H GLY A 59 -0.229 -13.202 -3.670 1.00 10.00 H new ATOM 0 HA2 GLY A 59 0.259 -13.113 -0.750 1.00 10.00 H new ATOM 0 HA3 GLY A 59 1.300 -13.931 -1.898 1.00 10.00 H new ATOM 817 N VAL A 60 1.434 -11.351 -3.225 1.00 10.00 N ATOM 818 CA VAL A 60 2.152 -10.144 -3.487 1.00 10.00 C ATOM 819 C VAL A 60 1.302 -8.937 -3.144 1.00 10.00 C ATOM 820 O VAL A 60 0.139 -8.801 -3.566 1.00 10.00 O ATOM 821 CB VAL A 60 2.760 -10.052 -4.909 1.00 10.00 C ATOM 822 CG1 VAL A 60 3.639 -11.253 -5.182 1.00 10.00 C ATOM 823 CG2 VAL A 60 1.707 -9.905 -5.986 1.00 10.00 C ATOM 0 H VAL A 60 0.996 -11.788 -4.036 1.00 10.00 H new ATOM 0 HA VAL A 60 3.021 -10.158 -2.829 1.00 10.00 H new ATOM 0 HB VAL A 60 3.367 -9.147 -4.940 1.00 10.00 H new ATOM 0 HG11 VAL A 60 4.060 -11.176 -6.185 1.00 10.00 H new ATOM 0 HG12 VAL A 60 4.447 -11.286 -4.451 1.00 10.00 H new ATOM 0 HG13 VAL A 60 3.044 -12.164 -5.107 1.00 10.00 H new ATOM 0 HG21 VAL A 60 2.190 -9.845 -6.961 1.00 10.00 H new ATOM 0 HG22 VAL A 60 1.041 -10.767 -5.963 1.00 10.00 H new ATOM 0 HG23 VAL A 60 1.131 -8.996 -5.810 1.00 10.00 H new ATOM 833 N PHE A 61 1.859 -8.126 -2.334 1.00 10.00 N ATOM 834 CA PHE A 61 1.214 -6.985 -1.797 1.00 10.00 C ATOM 835 C PHE A 61 1.897 -5.745 -2.373 1.00 10.00 C ATOM 836 O PHE A 61 3.033 -5.451 -2.026 1.00 10.00 O ATOM 837 CB PHE A 61 1.514 -7.120 -0.324 1.00 10.00 C ATOM 838 CG PHE A 61 0.742 -6.363 0.690 1.00 10.00 C ATOM 839 CD1 PHE A 61 -0.498 -5.814 0.430 1.00 10.00 C ATOM 840 CD2 PHE A 61 1.257 -6.296 1.967 1.00 10.00 C ATOM 841 CE1 PHE A 61 -1.199 -5.196 1.445 1.00 10.00 C ATOM 842 CE2 PHE A 61 0.579 -5.710 2.976 1.00 10.00 C ATOM 843 CZ PHE A 61 -0.658 -5.154 2.720 1.00 10.00 C ATOM 0 H PHE A 61 2.819 -8.239 -2.009 1.00 10.00 H new ATOM 0 HA PHE A 61 0.148 -6.904 -2.010 1.00 10.00 H new ATOM 0 HB2 PHE A 61 1.416 -8.177 -0.075 1.00 10.00 H new ATOM 0 HB3 PHE A 61 2.563 -6.856 -0.187 1.00 10.00 H new ATOM 0 HD1 PHE A 61 -0.917 -5.868 -0.564 1.00 10.00 H new ATOM 0 HD2 PHE A 61 2.229 -6.724 2.165 1.00 10.00 H new ATOM 0 HE1 PHE A 61 -2.162 -4.748 1.247 1.00 10.00 H new ATOM 0 HE2 PHE A 61 0.999 -5.677 3.971 1.00 10.00 H new ATOM 0 HZ PHE A 61 -1.209 -4.682 3.520 1.00 10.00 H new ATOM 853 N PHE A 62 1.237 -5.051 -3.244 1.00 10.00 N ATOM 854 CA PHE A 62 1.811 -3.879 -3.859 1.00 10.00 C ATOM 855 C PHE A 62 1.086 -2.645 -3.372 1.00 10.00 C ATOM 856 O PHE A 62 -0.145 -2.573 -3.424 1.00 10.00 O ATOM 857 CB PHE A 62 1.756 -3.980 -5.398 1.00 10.00 C ATOM 858 CG PHE A 62 2.389 -2.819 -6.127 1.00 10.00 C ATOM 859 CD1 PHE A 62 3.736 -2.838 -6.454 1.00 10.00 C ATOM 860 CD2 PHE A 62 1.635 -1.711 -6.488 1.00 10.00 C ATOM 861 CE1 PHE A 62 4.316 -1.776 -7.124 1.00 10.00 C ATOM 862 CE2 PHE A 62 2.209 -0.650 -7.153 1.00 10.00 C ATOM 863 CZ PHE A 62 3.548 -0.682 -7.473 1.00 10.00 C ATOM 0 H PHE A 62 0.290 -5.272 -3.553 1.00 10.00 H new ATOM 0 HA PHE A 62 2.860 -3.808 -3.573 1.00 10.00 H new ATOM 0 HB2 PHE A 62 2.252 -4.900 -5.707 1.00 10.00 H new ATOM 0 HB3 PHE A 62 0.714 -4.061 -5.707 1.00 10.00 H new ATOM 0 HD1 PHE A 62 4.339 -3.692 -6.183 1.00 10.00 H new ATOM 0 HD2 PHE A 62 0.583 -1.680 -6.244 1.00 10.00 H new ATOM 0 HE1 PHE A 62 5.366 -1.802 -7.374 1.00 10.00 H new ATOM 0 HE2 PHE A 62 1.609 0.207 -7.423 1.00 10.00 H new ATOM 0 HZ PHE A 62 3.998 0.148 -7.997 1.00 10.00 H new ATOM 873 N GLN A 63 1.840 -1.706 -2.891 1.00 10.00 N ATOM 874 CA GLN A 63 1.314 -0.470 -2.380 1.00 10.00 C ATOM 875 C GLN A 63 2.221 0.643 -2.846 1.00 10.00 C ATOM 876 O GLN A 63 3.453 0.506 -2.773 1.00 10.00 O ATOM 877 CB GLN A 63 1.327 -0.512 -0.849 1.00 10.00 C ATOM 878 CG GLN A 63 0.849 0.761 -0.154 1.00 10.00 C ATOM 879 CD GLN A 63 -0.650 0.919 -0.142 1.00 10.00 C ATOM 880 OE1 GLN A 63 -1.231 1.490 -1.032 1.00 10.00 O ATOM 881 NE2 GLN A 63 -1.278 0.435 0.896 1.00 10.00 N ATOM 0 H GLN A 63 2.856 -1.774 -2.840 1.00 10.00 H new ATOM 0 HA GLN A 63 0.294 -0.313 -2.731 1.00 10.00 H new ATOM 0 HB2 GLN A 63 0.702 -1.342 -0.520 1.00 10.00 H new ATOM 0 HB3 GLN A 63 2.343 -0.727 -0.517 1.00 10.00 H new ATOM 0 HG2 GLN A 63 1.214 0.762 0.873 1.00 10.00 H new ATOM 0 HG3 GLN A 63 1.292 1.624 -0.651 1.00 10.00 H new ATOM 0 HE21 GLN A 63 -0.756 -0.042 1.631 1.00 10.00 H new ATOM 0 HE22 GLN A 63 -2.290 0.534 0.972 1.00 10.00 H new ATOM 890 N TRP A 64 1.664 1.699 -3.356 1.00 10.00 N ATOM 891 CA TRP A 64 2.457 2.837 -3.672 1.00 10.00 C ATOM 892 C TRP A 64 1.655 4.074 -3.353 1.00 10.00 C ATOM 893 O TRP A 64 0.424 4.002 -3.239 1.00 10.00 O ATOM 894 CB TRP A 64 2.947 2.835 -5.127 1.00 10.00 C ATOM 895 CG TRP A 64 2.119 3.478 -6.160 1.00 10.00 C ATOM 896 CD1 TRP A 64 2.430 4.629 -6.806 1.00 10.00 C ATOM 897 CD2 TRP A 64 0.890 3.042 -6.692 1.00 10.00 C ATOM 898 NE1 TRP A 64 1.485 4.922 -7.720 1.00 10.00 N ATOM 899 CE2 TRP A 64 0.515 3.973 -7.668 1.00 10.00 C ATOM 900 CE3 TRP A 64 0.067 1.960 -6.444 1.00 10.00 C ATOM 901 CZ2 TRP A 64 -0.638 3.847 -8.395 1.00 10.00 C ATOM 902 CZ3 TRP A 64 -1.084 1.844 -7.165 1.00 10.00 C ATOM 903 CH2 TRP A 64 -1.429 2.784 -8.128 1.00 10.00 C ATOM 0 H TRP A 64 0.669 1.792 -3.560 1.00 10.00 H new ATOM 0 HA TRP A 64 3.363 2.815 -3.067 1.00 10.00 H new ATOM 0 HB2 TRP A 64 3.926 3.314 -5.145 1.00 10.00 H new ATOM 0 HB3 TRP A 64 3.095 1.796 -5.423 1.00 10.00 H new ATOM 0 HD1 TRP A 64 3.310 5.226 -6.615 1.00 10.00 H new ATOM 0 HE1 TRP A 64 1.496 5.725 -8.348 1.00 10.00 H new ATOM 0 HE3 TRP A 64 0.329 1.225 -5.698 1.00 10.00 H new ATOM 0 HZ2 TRP A 64 -0.905 4.569 -9.152 1.00 10.00 H new ATOM 0 HZ3 TRP A 64 -1.740 1.005 -6.984 1.00 10.00 H new ATOM 0 HH2 TRP A 64 -2.351 2.662 -8.676 1.00 10.00 H new ATOM 914 N LEU A 65 2.310 5.185 -3.219 1.00 10.00 N ATOM 915 CA LEU A 65 1.631 6.400 -2.872 1.00 10.00 C ATOM 916 C LEU A 65 2.281 7.602 -3.518 1.00 10.00 C ATOM 917 O LEU A 65 3.505 7.706 -3.548 1.00 10.00 O ATOM 918 CB LEU A 65 1.558 6.593 -1.343 1.00 10.00 C ATOM 919 CG LEU A 65 2.896 6.613 -0.593 1.00 10.00 C ATOM 920 CD1 LEU A 65 2.734 7.317 0.725 1.00 10.00 C ATOM 921 CD2 LEU A 65 3.434 5.202 -0.340 1.00 10.00 C ATOM 0 H LEU A 65 3.318 5.278 -3.345 1.00 10.00 H new ATOM 0 HA LEU A 65 0.614 6.313 -3.254 1.00 10.00 H new ATOM 0 HB2 LEU A 65 1.039 7.530 -1.141 1.00 10.00 H new ATOM 0 HB3 LEU A 65 0.945 5.794 -0.927 1.00 10.00 H new ATOM 0 HG LEU A 65 3.611 7.143 -1.222 1.00 10.00 H new ATOM 0 HD11 LEU A 65 3.688 7.327 1.252 1.00 10.00 H new ATOM 0 HD12 LEU A 65 2.404 8.341 0.552 1.00 10.00 H new ATOM 0 HD13 LEU A 65 1.992 6.794 1.328 1.00 10.00 H new ATOM 0 HD21 LEU A 65 4.383 5.264 0.193 1.00 10.00 H new ATOM 0 HD22 LEU A 65 2.717 4.641 0.259 1.00 10.00 H new ATOM 0 HD23 LEU A 65 3.586 4.694 -1.293 1.00 10.00 H new ATOM 933 N GLU A 66 1.457 8.473 -4.051 1.00 10.00 N ATOM 934 CA GLU A 66 1.879 9.721 -4.633 1.00 10.00 C ATOM 935 C GLU A 66 1.731 10.764 -3.530 1.00 10.00 C ATOM 936 O GLU A 66 0.656 10.906 -2.979 1.00 10.00 O ATOM 937 CB GLU A 66 0.901 10.140 -5.746 1.00 10.00 C ATOM 938 CG GLU A 66 0.600 9.143 -6.868 1.00 10.00 C ATOM 939 CD GLU A 66 -0.482 9.696 -7.816 1.00 10.00 C ATOM 940 OE1 GLU A 66 -0.149 10.453 -8.751 1.00 10.00 O ATOM 941 OE2 GLU A 66 -1.700 9.415 -7.608 1.00 10.00 O ATOM 0 H GLU A 66 0.448 8.327 -4.092 1.00 10.00 H new ATOM 0 HA GLU A 66 2.890 9.633 -5.032 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -0.045 10.403 -5.274 1.00 10.00 H new ATOM 0 HB3 GLU A 66 1.291 11.048 -6.205 1.00 10.00 H new ATOM 0 HG2 GLU A 66 1.511 8.935 -7.430 1.00 10.00 H new ATOM 0 HG3 GLU A 66 0.267 8.197 -6.441 1.00 10.00 H new ATOM 948 N GLY A 67 2.760 11.467 -3.204 1.00 10.00 N ATOM 949 CA GLY A 67 2.642 12.460 -2.172 1.00 10.00 C ATOM 950 C GLY A 67 3.842 13.356 -2.135 1.00 10.00 C ATOM 951 O GLY A 67 4.767 13.143 -2.888 1.00 10.00 O ATOM 0 H GLY A 67 3.685 11.382 -3.625 1.00 10.00 H new ATOM 0 HA2 GLY A 67 1.746 13.057 -2.340 1.00 10.00 H new ATOM 0 HA3 GLY A 67 2.522 11.970 -1.206 1.00 10.00 H new ATOM 955 N HIS A 68 3.830 14.368 -1.284 1.00 10.00 N ATOM 956 CA HIS A 68 5.018 15.207 -1.108 1.00 10.00 C ATOM 957 C HIS A 68 6.100 14.371 -0.402 1.00 10.00 C ATOM 958 O HIS A 68 5.836 13.849 0.660 1.00 10.00 O ATOM 959 CB HIS A 68 4.686 16.485 -0.295 1.00 10.00 C ATOM 960 CG HIS A 68 5.871 17.279 0.101 1.00 10.00 C ATOM 961 ND1 HIS A 68 6.521 17.130 1.311 1.00 10.00 N ATOM 962 CD2 HIS A 68 6.532 18.167 -0.568 1.00 10.00 C ATOM 963 CE1 HIS A 68 7.569 17.908 1.340 1.00 10.00 C ATOM 964 NE2 HIS A 68 7.604 18.566 0.198 1.00 10.00 N ATOM 0 H HIS A 68 3.029 14.631 -0.710 1.00 10.00 H new ATOM 0 HA HIS A 68 5.381 15.536 -2.082 1.00 10.00 H new ATOM 0 HB2 HIS A 68 4.022 17.115 -0.886 1.00 10.00 H new ATOM 0 HB3 HIS A 68 4.138 16.199 0.603 1.00 10.00 H new ATOM 0 HD2 HIS A 68 6.286 18.531 -1.554 1.00 10.00 H new ATOM 0 HE1 HIS A 68 8.277 17.996 2.151 1.00 10.00 H new ATOM 0 HE2 HIS A 68 8.307 19.254 -0.072 1.00 10.00 H new ATOM 973 N PRO A 69 7.339 14.283 -0.989 1.00 10.00 N ATOM 974 CA PRO A 69 8.467 13.406 -0.569 1.00 10.00 C ATOM 975 C PRO A 69 8.563 13.050 0.914 1.00 10.00 C ATOM 976 O PRO A 69 8.714 11.884 1.264 1.00 10.00 O ATOM 977 CB PRO A 69 9.709 14.190 -1.008 1.00 10.00 C ATOM 978 CG PRO A 69 9.195 15.349 -1.810 1.00 10.00 C ATOM 979 CD PRO A 69 7.773 15.049 -2.141 1.00 10.00 C ATOM 0 HA PRO A 69 8.336 12.424 -1.024 1.00 10.00 H new ATOM 0 HB2 PRO A 69 10.280 14.533 -0.146 1.00 10.00 H new ATOM 0 HB3 PRO A 69 10.375 13.566 -1.604 1.00 10.00 H new ATOM 0 HG2 PRO A 69 9.272 16.276 -1.242 1.00 10.00 H new ATOM 0 HG3 PRO A 69 9.783 15.482 -2.718 1.00 10.00 H new ATOM 0 HD2 PRO A 69 7.185 15.958 -2.269 1.00 10.00 H new ATOM 0 HD3 PRO A 69 7.683 14.478 -3.065 1.00 10.00 H new ATOM 987 N ALA A 70 8.461 14.025 1.773 1.00 10.00 N ATOM 988 CA ALA A 70 8.627 13.770 3.191 1.00 10.00 C ATOM 989 C ALA A 70 7.446 13.097 3.820 1.00 10.00 C ATOM 990 O ALA A 70 7.596 12.378 4.808 1.00 10.00 O ATOM 991 CB ALA A 70 9.017 14.997 3.929 1.00 10.00 C ATOM 0 H ALA A 70 8.266 14.996 1.528 1.00 10.00 H new ATOM 0 HA ALA A 70 9.450 13.059 3.269 1.00 10.00 H new ATOM 0 HB1 ALA A 70 9.131 14.764 4.988 1.00 10.00 H new ATOM 0 HB2 ALA A 70 9.962 15.373 3.536 1.00 10.00 H new ATOM 0 HB3 ALA A 70 8.245 15.756 3.806 1.00 10.00 H new ATOM 997 N ALA A 71 6.300 13.306 3.272 1.00 10.00 N ATOM 998 CA ALA A 71 5.124 12.635 3.751 1.00 10.00 C ATOM 999 C ALA A 71 5.260 11.182 3.411 1.00 10.00 C ATOM 1000 O ALA A 71 5.010 10.301 4.225 1.00 10.00 O ATOM 1001 CB ALA A 71 3.924 13.171 3.056 1.00 10.00 C ATOM 0 H ALA A 71 6.143 13.938 2.487 1.00 10.00 H new ATOM 0 HA ALA A 71 5.017 12.783 4.826 1.00 10.00 H new ATOM 0 HB1 ALA A 71 3.033 12.660 3.421 1.00 10.00 H new ATOM 0 HB2 ALA A 71 3.836 14.239 3.253 1.00 10.00 H new ATOM 0 HB3 ALA A 71 4.022 13.007 1.983 1.00 10.00 H new ATOM 1007 N VAL A 72 5.726 10.965 2.191 1.00 10.00 N ATOM 1008 CA VAL A 72 5.931 9.649 1.639 1.00 10.00 C ATOM 1009 C VAL A 72 6.971 8.938 2.478 1.00 10.00 C ATOM 1010 O VAL A 72 6.822 7.790 2.804 1.00 10.00 O ATOM 1011 CB VAL A 72 6.470 9.713 0.182 1.00 10.00 C ATOM 1012 CG1 VAL A 72 6.093 8.501 -0.571 1.00 10.00 C ATOM 1013 CG2 VAL A 72 6.012 10.930 -0.558 1.00 10.00 C ATOM 0 H VAL A 72 5.975 11.718 1.550 1.00 10.00 H new ATOM 0 HA VAL A 72 4.973 9.129 1.639 1.00 10.00 H new ATOM 0 HB VAL A 72 7.555 9.772 0.263 1.00 10.00 H new ATOM 0 HG11 VAL A 72 6.481 8.569 -1.587 1.00 10.00 H new ATOM 0 HG12 VAL A 72 6.512 7.623 -0.080 1.00 10.00 H new ATOM 0 HG13 VAL A 72 5.007 8.415 -0.602 1.00 10.00 H new ATOM 0 HG21 VAL A 72 6.421 10.917 -1.568 1.00 10.00 H new ATOM 0 HG22 VAL A 72 4.923 10.937 -0.608 1.00 10.00 H new ATOM 0 HG23 VAL A 72 6.358 11.824 -0.038 1.00 10.00 H new ATOM 1023 N ALA A 73 8.013 9.659 2.841 1.00 10.00 N ATOM 1024 CA ALA A 73 9.091 9.115 3.628 1.00 10.00 C ATOM 1025 C ALA A 73 8.716 8.869 5.069 1.00 10.00 C ATOM 1026 O ALA A 73 9.239 7.949 5.685 1.00 10.00 O ATOM 1027 CB ALA A 73 10.275 9.980 3.580 1.00 10.00 C ATOM 0 H ALA A 73 8.132 10.642 2.595 1.00 10.00 H new ATOM 0 HA ALA A 73 9.318 8.149 3.176 1.00 10.00 H new ATOM 0 HB1 ALA A 73 11.070 9.542 4.183 1.00 10.00 H new ATOM 0 HB2 ALA A 73 10.613 10.077 2.548 1.00 10.00 H new ATOM 0 HB3 ALA A 73 10.022 10.965 3.973 1.00 10.00 H new ATOM 1033 N GLU A 74 7.874 9.714 5.635 1.00 10.00 N ATOM 1034 CA GLU A 74 7.349 9.462 6.981 1.00 10.00 C ATOM 1035 C GLU A 74 6.619 8.138 6.933 1.00 10.00 C ATOM 1036 O GLU A 74 6.787 7.267 7.803 1.00 10.00 O ATOM 1037 CB GLU A 74 6.373 10.544 7.415 1.00 10.00 C ATOM 1038 CG GLU A 74 5.842 10.334 8.822 1.00 10.00 C ATOM 1039 CD GLU A 74 4.628 11.153 9.116 1.00 10.00 C ATOM 1040 OE1 GLU A 74 4.750 12.297 9.567 1.00 10.00 O ATOM 1041 OE2 GLU A 74 3.516 10.660 8.918 1.00 10.00 O ATOM 0 H GLU A 74 7.538 10.572 5.198 1.00 10.00 H new ATOM 0 HA GLU A 74 8.173 9.453 7.695 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.867 11.514 7.360 1.00 10.00 H new ATOM 0 HB3 GLU A 74 5.536 10.572 6.717 1.00 10.00 H new ATOM 0 HG2 GLU A 74 5.604 9.279 8.961 1.00 10.00 H new ATOM 0 HG3 GLU A 74 6.624 10.582 9.540 1.00 10.00 H new ATOM 1048 N VAL A 75 5.833 8.001 5.886 1.00 10.00 N ATOM 1049 CA VAL A 75 5.143 6.795 5.579 1.00 10.00 C ATOM 1050 C VAL A 75 6.148 5.645 5.414 1.00 10.00 C ATOM 1051 O VAL A 75 5.993 4.621 6.056 1.00 10.00 O ATOM 1052 CB VAL A 75 4.248 6.991 4.321 1.00 10.00 C ATOM 1053 CG1 VAL A 75 3.762 5.684 3.763 1.00 10.00 C ATOM 1054 CG2 VAL A 75 3.057 7.875 4.658 1.00 10.00 C ATOM 0 H VAL A 75 5.661 8.752 5.217 1.00 10.00 H new ATOM 0 HA VAL A 75 4.480 6.531 6.402 1.00 10.00 H new ATOM 0 HB VAL A 75 4.863 7.471 3.560 1.00 10.00 H new ATOM 0 HG11 VAL A 75 3.142 5.871 2.886 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.616 5.070 3.479 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.175 5.162 4.518 1.00 10.00 H new ATOM 0 HG21 VAL A 75 2.438 8.005 3.770 1.00 10.00 H new ATOM 0 HG22 VAL A 75 2.468 7.406 5.446 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.411 8.848 4.999 1.00 10.00 H new ATOM 1064 N MET A 76 7.192 5.843 4.585 1.00 10.00 N ATOM 1065 CA MET A 76 8.257 4.866 4.408 1.00 10.00 C ATOM 1066 C MET A 76 8.872 4.457 5.712 1.00 10.00 C ATOM 1067 O MET A 76 8.913 3.303 5.998 1.00 10.00 O ATOM 1068 CB MET A 76 9.355 5.400 3.487 1.00 10.00 C ATOM 1069 CG MET A 76 8.938 5.681 2.063 1.00 10.00 C ATOM 1070 SD MET A 76 8.765 4.263 0.972 1.00 10.00 S ATOM 1071 CE MET A 76 7.338 3.461 1.647 1.00 10.00 C ATOM 0 H MET A 76 7.310 6.687 4.025 1.00 10.00 H new ATOM 0 HA MET A 76 7.793 3.992 3.952 1.00 10.00 H new ATOM 0 HB2 MET A 76 9.750 6.320 3.918 1.00 10.00 H new ATOM 0 HB3 MET A 76 10.172 4.679 3.471 1.00 10.00 H new ATOM 0 HG2 MET A 76 7.985 6.209 2.087 1.00 10.00 H new ATOM 0 HG3 MET A 76 9.668 6.360 1.623 1.00 10.00 H new ATOM 0 HE1 MET A 76 6.785 2.969 0.847 1.00 10.00 H new ATOM 0 HE2 MET A 76 7.651 2.719 2.382 1.00 10.00 H new ATOM 0 HE3 MET A 76 6.698 4.201 2.128 1.00 10.00 H new ATOM 1081 N SER A 77 9.287 5.405 6.516 1.00 10.00 N ATOM 1082 CA SER A 77 9.950 5.105 7.769 1.00 10.00 C ATOM 1083 C SER A 77 9.039 4.334 8.719 1.00 10.00 C ATOM 1084 O SER A 77 9.517 3.518 9.483 1.00 10.00 O ATOM 1085 CB SER A 77 10.510 6.379 8.411 1.00 10.00 C ATOM 1086 OG SER A 77 11.354 6.085 9.518 1.00 10.00 O ATOM 0 H SER A 77 9.178 6.401 6.326 1.00 10.00 H new ATOM 0 HA SER A 77 10.795 4.452 7.552 1.00 10.00 H new ATOM 0 HB2 SER A 77 11.070 6.945 7.667 1.00 10.00 H new ATOM 0 HB3 SER A 77 9.686 7.013 8.740 1.00 10.00 H new ATOM 0 HG SER A 77 11.694 6.920 9.901 1.00 10.00 H new ATOM 1092 N HIS A 78 7.750 4.595 8.660 1.00 10.00 N ATOM 1093 CA HIS A 78 6.786 3.814 9.437 1.00 10.00 C ATOM 1094 C HIS A 78 6.679 2.412 8.854 1.00 10.00 C ATOM 1095 O HIS A 78 6.890 1.414 9.522 1.00 10.00 O ATOM 1096 CB HIS A 78 5.403 4.482 9.428 1.00 10.00 C ATOM 1097 CG HIS A 78 5.301 5.708 10.272 1.00 10.00 C ATOM 1098 ND1 HIS A 78 4.355 6.695 10.070 1.00 10.00 N ATOM 1099 CD2 HIS A 78 6.008 6.092 11.349 1.00 10.00 C ATOM 1100 CE1 HIS A 78 4.499 7.627 10.986 1.00 10.00 C ATOM 1101 NE2 HIS A 78 5.489 7.285 11.773 1.00 10.00 N ATOM 0 H HIS A 78 7.339 5.334 8.090 1.00 10.00 H new ATOM 0 HA HIS A 78 7.136 3.761 10.468 1.00 10.00 H new ATOM 0 HB2 HIS A 78 5.146 4.741 8.401 1.00 10.00 H new ATOM 0 HB3 HIS A 78 4.662 3.759 9.769 1.00 10.00 H new ATOM 0 HD2 HIS A 78 6.833 5.558 11.797 1.00 10.00 H new ATOM 0 HE1 HIS A 78 3.902 8.523 11.075 1.00 10.00 H new ATOM 0 HE2 HIS A 78 5.820 7.822 12.574 1.00 10.00 H new ATOM 1110 N ILE A 79 6.427 2.388 7.587 1.00 10.00 N ATOM 1111 CA ILE A 79 6.239 1.202 6.799 1.00 10.00 C ATOM 1112 C ILE A 79 7.429 0.244 6.814 1.00 10.00 C ATOM 1113 O ILE A 79 7.240 -0.962 6.937 1.00 10.00 O ATOM 1114 CB ILE A 79 5.800 1.625 5.382 1.00 10.00 C ATOM 1115 CG1 ILE A 79 4.284 1.846 5.339 1.00 10.00 C ATOM 1116 CG2 ILE A 79 6.342 0.771 4.258 1.00 10.00 C ATOM 1117 CD1 ILE A 79 3.761 2.275 4.005 1.00 10.00 C ATOM 0 H ILE A 79 6.341 3.242 7.037 1.00 10.00 H new ATOM 0 HA ILE A 79 5.449 0.604 7.254 1.00 10.00 H new ATOM 0 HB ILE A 79 6.278 2.584 5.179 1.00 10.00 H new ATOM 0 HG12 ILE A 79 3.786 0.922 5.631 1.00 10.00 H new ATOM 0 HG13 ILE A 79 4.018 2.600 6.080 1.00 10.00 H new ATOM 0 HG21 ILE A 79 5.976 1.150 3.304 1.00 10.00 H new ATOM 0 HG22 ILE A 79 7.431 0.805 4.268 1.00 10.00 H new ATOM 0 HG23 ILE A 79 6.010 -0.259 4.391 1.00 10.00 H new ATOM 0 HD11 ILE A 79 2.681 2.409 4.064 1.00 10.00 H new ATOM 0 HD12 ILE A 79 4.228 3.217 3.717 1.00 10.00 H new ATOM 0 HD13 ILE A 79 3.993 1.513 3.261 1.00 10.00 H new ATOM 1129 N GLN A 80 8.612 0.771 6.641 1.00 10.00 N ATOM 1130 CA GLN A 80 9.857 0.049 6.721 1.00 10.00 C ATOM 1131 C GLN A 80 10.127 -0.538 8.118 1.00 10.00 C ATOM 1132 O GLN A 80 11.050 -1.320 8.298 1.00 10.00 O ATOM 1133 CB GLN A 80 10.977 0.957 6.215 1.00 10.00 C ATOM 1134 CG GLN A 80 10.776 1.334 4.738 1.00 10.00 C ATOM 1135 CD GLN A 80 10.852 0.152 3.890 1.00 10.00 C ATOM 1136 OE1 GLN A 80 11.918 -0.237 3.425 1.00 10.00 O ATOM 1137 NE2 GLN A 80 9.766 -0.427 3.671 1.00 10.00 N ATOM 0 H GLN A 80 8.741 1.761 6.431 1.00 10.00 H new ATOM 0 HA GLN A 80 9.802 -0.830 6.079 1.00 10.00 H new ATOM 0 HB2 GLN A 80 11.014 1.863 6.821 1.00 10.00 H new ATOM 0 HB3 GLN A 80 11.936 0.454 6.335 1.00 10.00 H new ATOM 0 HG2 GLN A 80 9.808 1.818 4.610 1.00 10.00 H new ATOM 0 HG3 GLN A 80 11.536 2.055 4.435 1.00 10.00 H new ATOM 0 HE21 GLN A 80 8.904 -0.066 4.080 1.00 10.00 H new ATOM 0 HE22 GLN A 80 9.742 -1.260 3.083 1.00 10.00 H new ATOM 1146 N ARG A 81 9.313 -0.157 9.102 1.00 10.00 N ATOM 1147 CA ARG A 81 9.317 -0.800 10.421 1.00 10.00 C ATOM 1148 C ARG A 81 8.234 -1.887 10.437 1.00 10.00 C ATOM 1149 O ARG A 81 7.557 -2.111 11.442 1.00 10.00 O ATOM 1150 CB ARG A 81 9.064 0.219 11.534 1.00 10.00 C ATOM 1151 CG ARG A 81 10.050 1.352 11.562 1.00 10.00 C ATOM 1152 CD ARG A 81 11.480 0.855 11.573 1.00 10.00 C ATOM 1153 NE ARG A 81 12.436 1.953 11.449 1.00 10.00 N ATOM 1154 CZ ARG A 81 13.445 1.980 10.568 1.00 10.00 C ATOM 1155 NH1 ARG A 81 13.641 0.961 9.735 1.00 10.00 N ATOM 1156 NH2 ARG A 81 14.257 3.018 10.533 1.00 10.00 N ATOM 0 H ARG A 81 8.636 0.600 9.011 1.00 10.00 H new ATOM 0 HA ARG A 81 10.296 -1.244 10.601 1.00 10.00 H new ATOM 0 HB2 ARG A 81 8.060 0.627 11.417 1.00 10.00 H new ATOM 0 HB3 ARG A 81 9.089 -0.295 12.495 1.00 10.00 H new ATOM 0 HG2 ARG A 81 9.894 1.991 10.692 1.00 10.00 H new ATOM 0 HG3 ARG A 81 9.872 1.966 12.445 1.00 10.00 H new ATOM 0 HD2 ARG A 81 11.669 0.311 12.499 1.00 10.00 H new ATOM 0 HD3 ARG A 81 11.627 0.151 10.754 1.00 10.00 H new ATOM 0 HE ARG A 81 12.328 2.752 12.074 1.00 10.00 H new ATOM 0 HH11 ARG A 81 13.021 0.152 9.764 1.00 10.00 H new ATOM 0 HH12 ARG A 81 14.411 0.989 9.067 1.00 10.00 H new ATOM 0 HH21 ARG A 81 14.116 3.798 11.176 1.00 10.00 H new ATOM 0 HH22 ARG A 81 15.026 3.041 9.863 1.00 10.00 H new ATOM 1170 N ASP A 82 8.094 -2.510 9.280 1.00 10.00 N ATOM 1171 CA ASP A 82 7.213 -3.642 8.967 1.00 10.00 C ATOM 1172 C ASP A 82 6.999 -4.639 10.079 1.00 10.00 C ATOM 1173 O ASP A 82 7.855 -4.893 10.935 1.00 10.00 O ATOM 1174 CB ASP A 82 7.695 -4.283 7.676 1.00 10.00 C ATOM 1175 CG ASP A 82 6.919 -5.459 7.057 1.00 10.00 C ATOM 1176 OD1 ASP A 82 5.869 -5.841 7.555 1.00 10.00 O ATOM 1177 OD2 ASP A 82 7.279 -5.865 5.971 1.00 10.00 O ATOM 0 H ASP A 82 8.633 -2.221 8.464 1.00 10.00 H new ATOM 0 HA ASP A 82 6.209 -3.239 8.836 1.00 10.00 H new ATOM 0 HB2 ASP A 82 7.743 -3.496 6.923 1.00 10.00 H new ATOM 0 HB3 ASP A 82 8.716 -4.624 7.846 1.00 10.00 H new ATOM 1182 N ARG A 83 5.857 -5.228 9.960 1.00 10.00 N ATOM 1183 CA ARG A 83 5.173 -6.011 10.908 1.00 10.00 C ATOM 1184 C ARG A 83 3.780 -6.302 10.307 1.00 10.00 C ATOM 1185 O ARG A 83 3.192 -7.335 10.551 1.00 10.00 O ATOM 1186 CB ARG A 83 5.070 -5.218 12.204 1.00 10.00 C ATOM 1187 CG ARG A 83 4.553 -3.802 12.004 1.00 10.00 C ATOM 1188 CD ARG A 83 4.641 -3.044 13.303 1.00 10.00 C ATOM 1189 NE ARG A 83 3.842 -1.830 13.311 1.00 10.00 N ATOM 1190 CZ ARG A 83 3.087 -1.450 14.349 1.00 10.00 C ATOM 1191 NH1 ARG A 83 3.100 -2.167 15.478 1.00 10.00 N ATOM 1192 NH2 ARG A 83 2.318 -0.365 14.264 1.00 10.00 N ATOM 0 H ARG A 83 5.328 -5.157 9.091 1.00 10.00 H new ATOM 0 HA ARG A 83 5.683 -6.948 11.131 1.00 10.00 H new ATOM 0 HB2 ARG A 83 4.409 -5.745 12.892 1.00 10.00 H new ATOM 0 HB3 ARG A 83 6.052 -5.176 12.675 1.00 10.00 H new ATOM 0 HG2 ARG A 83 5.137 -3.296 11.236 1.00 10.00 H new ATOM 0 HG3 ARG A 83 3.521 -3.827 11.655 1.00 10.00 H new ATOM 0 HD2 ARG A 83 4.315 -3.691 14.117 1.00 10.00 H new ATOM 0 HD3 ARG A 83 5.682 -2.787 13.497 1.00 10.00 H new ATOM 0 HE ARG A 83 3.857 -1.236 12.482 1.00 10.00 H new ATOM 0 HH11 ARG A 83 3.684 -3.000 15.546 1.00 10.00 H new ATOM 0 HH12 ARG A 83 2.526 -1.880 16.271 1.00 10.00 H new ATOM 0 HH21 ARG A 83 2.302 0.182 13.404 1.00 10.00 H new ATOM 0 HH22 ARG A 83 1.746 -0.082 15.059 1.00 10.00 H new ATOM 1206 N ARG A 84 3.275 -5.346 9.488 1.00 10.00 N ATOM 1207 CA ARG A 84 1.985 -5.499 8.795 1.00 10.00 C ATOM 1208 C ARG A 84 2.133 -5.733 7.272 1.00 10.00 C ATOM 1209 O ARG A 84 1.184 -5.548 6.521 1.00 10.00 O ATOM 1210 CB ARG A 84 1.109 -4.291 8.974 1.00 10.00 C ATOM 1211 CG ARG A 84 0.608 -3.996 10.364 1.00 10.00 C ATOM 1212 CD ARG A 84 -0.281 -2.778 10.290 1.00 10.00 C ATOM 1213 NE ARG A 84 -0.908 -2.432 11.549 1.00 10.00 N ATOM 1214 CZ ARG A 84 -1.951 -1.591 11.665 1.00 10.00 C ATOM 1215 NH1 ARG A 84 -2.450 -0.993 10.589 1.00 10.00 N ATOM 1216 NH2 ARG A 84 -2.485 -1.348 12.850 1.00 10.00 N ATOM 0 H ARG A 84 3.747 -4.463 9.296 1.00 10.00 H new ATOM 0 HA ARG A 84 1.533 -6.379 9.253 1.00 10.00 H new ATOM 0 HB2 ARG A 84 1.662 -3.419 8.624 1.00 10.00 H new ATOM 0 HB3 ARG A 84 0.243 -4.403 8.321 1.00 10.00 H new ATOM 0 HG2 ARG A 84 0.055 -4.848 10.759 1.00 10.00 H new ATOM 0 HG3 ARG A 84 1.444 -3.817 11.041 1.00 10.00 H new ATOM 0 HD2 ARG A 84 0.310 -1.930 9.944 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -1.057 -2.951 9.544 1.00 10.00 H new ATOM 0 HE ARG A 84 -0.535 -2.852 12.400 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -2.042 -1.171 9.671 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -3.241 -0.356 10.680 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -2.106 -1.799 13.682 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -3.276 -0.709 12.932 1.00 10.00 H new ATOM 1230 N HIS A 85 3.294 -6.105 6.823 1.00 10.00 N ATOM 1231 CA HIS A 85 3.530 -6.452 5.431 1.00 10.00 C ATOM 1232 C HIS A 85 4.410 -7.657 5.550 1.00 10.00 C ATOM 1233 O HIS A 85 4.464 -8.230 6.611 1.00 10.00 O ATOM 1234 CB HIS A 85 4.321 -5.382 4.610 1.00 10.00 C ATOM 1235 CG HIS A 85 4.346 -3.970 5.115 1.00 10.00 C ATOM 1236 ND1 HIS A 85 4.075 -2.890 4.332 1.00 10.00 N ATOM 1237 CD2 HIS A 85 4.800 -3.461 6.276 1.00 10.00 C ATOM 1238 CE1 HIS A 85 4.381 -1.814 5.004 1.00 10.00 C ATOM 1239 NE2 HIS A 85 4.805 -2.142 6.184 1.00 10.00 N ATOM 0 H HIS A 85 4.123 -6.181 7.412 1.00 10.00 H new ATOM 0 HA HIS A 85 2.581 -6.572 4.909 1.00 10.00 H new ATOM 0 HB2 HIS A 85 5.353 -5.723 4.527 1.00 10.00 H new ATOM 0 HB3 HIS A 85 3.909 -5.366 3.601 1.00 10.00 H new ATOM 0 HD2 HIS A 85 5.108 -4.034 7.138 1.00 10.00 H new ATOM 0 HE1 HIS A 85 4.294 -0.803 4.633 1.00 10.00 H new ATOM 0 HE2 HIS A 85 5.093 -1.493 6.917 1.00 10.00 H new ATOM 1248 N SER A 86 5.074 -8.075 4.516 1.00 10.00 N ATOM 1249 CA SER A 86 5.967 -9.190 4.709 1.00 10.00 C ATOM 1250 C SER A 86 7.421 -8.774 4.915 1.00 10.00 C ATOM 1251 O SER A 86 8.079 -9.230 5.845 1.00 10.00 O ATOM 1252 CB SER A 86 5.777 -10.192 3.634 1.00 10.00 C ATOM 1253 OG SER A 86 6.322 -11.455 3.935 1.00 10.00 O ATOM 0 H SER A 86 5.026 -7.689 3.573 1.00 10.00 H new ATOM 0 HA SER A 86 5.701 -9.671 5.650 1.00 10.00 H new ATOM 0 HB2 SER A 86 4.711 -10.304 3.438 1.00 10.00 H new ATOM 0 HB3 SER A 86 6.233 -9.819 2.717 1.00 10.00 H new ATOM 0 HG SER A 86 6.161 -12.067 3.187 1.00 10.00 H new ATOM 1259 N ASN A 87 7.897 -7.926 4.057 1.00 10.00 N ATOM 1260 CA ASN A 87 9.293 -7.391 4.144 1.00 10.00 C ATOM 1261 C ASN A 87 9.401 -5.936 3.670 1.00 10.00 C ATOM 1262 O ASN A 87 10.386 -5.240 3.950 1.00 10.00 O ATOM 1263 CB ASN A 87 10.337 -8.263 3.397 1.00 10.00 C ATOM 1264 CG ASN A 87 10.540 -9.663 3.937 1.00 10.00 C ATOM 1265 OD1 ASN A 87 11.333 -9.889 4.852 1.00 10.00 O ATOM 1266 ND2 ASN A 87 9.871 -10.629 3.337 1.00 10.00 N ATOM 0 H ASN A 87 7.362 -7.564 3.267 1.00 10.00 H new ATOM 0 HA ASN A 87 9.530 -7.428 5.207 1.00 10.00 H new ATOM 0 HB2 ASN A 87 10.037 -8.338 2.352 1.00 10.00 H new ATOM 0 HB3 ASN A 87 11.296 -7.744 3.417 1.00 10.00 H new ATOM 0 HD21 ASN A 87 10.003 -11.598 3.628 1.00 10.00 H new ATOM 0 HD22 ASN A 87 9.222 -10.407 2.582 1.00 10.00 H new ATOM 1273 N VAL A 88 8.350 -5.491 3.056 1.00 10.00 N ATOM 1274 CA VAL A 88 8.221 -4.224 2.383 1.00 10.00 C ATOM 1275 C VAL A 88 9.427 -3.662 1.643 1.00 10.00 C ATOM 1276 O VAL A 88 10.202 -2.845 2.173 1.00 10.00 O ATOM 1277 CB VAL A 88 7.386 -3.172 3.145 1.00 10.00 C ATOM 1278 CG1 VAL A 88 7.892 -2.848 4.494 1.00 10.00 C ATOM 1279 CG2 VAL A 88 7.219 -1.911 2.378 1.00 10.00 C ATOM 0 H VAL A 88 7.492 -6.041 3.005 1.00 10.00 H new ATOM 0 HA VAL A 88 7.611 -4.530 1.533 1.00 10.00 H new ATOM 0 HB VAL A 88 6.418 -3.658 3.266 1.00 10.00 H new ATOM 0 HG11 VAL A 88 7.245 -2.102 4.956 1.00 10.00 H new ATOM 0 HG12 VAL A 88 7.900 -3.750 5.106 1.00 10.00 H new ATOM 0 HG13 VAL A 88 8.905 -2.453 4.417 1.00 10.00 H new ATOM 0 HG21 VAL A 88 6.624 -1.207 2.960 1.00 10.00 H new ATOM 0 HG22 VAL A 88 8.198 -1.477 2.174 1.00 10.00 H new ATOM 0 HG23 VAL A 88 6.712 -2.122 1.436 1.00 10.00 H new ATOM 1289 N GLU A 89 9.553 -4.079 0.406 1.00 10.00 N ATOM 1290 CA GLU A 89 10.584 -3.600 -0.442 1.00 10.00 C ATOM 1291 C GLU A 89 10.080 -2.598 -1.392 1.00 10.00 C ATOM 1292 O GLU A 89 9.355 -2.912 -2.310 1.00 10.00 O ATOM 1293 CB GLU A 89 11.282 -4.685 -1.192 1.00 10.00 C ATOM 1294 CG GLU A 89 12.260 -5.445 -0.378 1.00 10.00 C ATOM 1295 CD GLU A 89 11.645 -6.320 0.659 1.00 10.00 C ATOM 1296 OE1 GLU A 89 10.763 -7.165 0.317 1.00 10.00 O ATOM 1297 OE2 GLU A 89 12.068 -6.225 1.821 1.00 10.00 O ATOM 0 H GLU A 89 8.934 -4.763 -0.029 1.00 10.00 H new ATOM 0 HA GLU A 89 11.312 -3.137 0.224 1.00 10.00 H new ATOM 0 HB2 GLU A 89 10.538 -5.377 -1.587 1.00 10.00 H new ATOM 0 HB3 GLU A 89 11.798 -4.248 -2.047 1.00 10.00 H new ATOM 0 HG2 GLU A 89 12.868 -6.060 -1.042 1.00 10.00 H new ATOM 0 HG3 GLU A 89 12.934 -4.741 0.110 1.00 10.00 H new ATOM 1304 N ILE A 90 10.404 -1.404 -1.095 1.00 10.00 N ATOM 1305 CA ILE A 90 10.122 -0.241 -1.931 1.00 10.00 C ATOM 1306 C ILE A 90 10.697 -0.477 -3.305 1.00 10.00 C ATOM 1307 O ILE A 90 9.987 -0.804 -4.232 1.00 10.00 O ATOM 1308 CB ILE A 90 10.690 1.079 -1.306 1.00 10.00 C ATOM 1309 CG1 ILE A 90 10.599 1.056 0.216 1.00 10.00 C ATOM 1310 CG2 ILE A 90 9.949 2.321 -1.815 1.00 10.00 C ATOM 1311 CD1 ILE A 90 9.223 0.822 0.745 1.00 10.00 C ATOM 0 H ILE A 90 10.895 -1.167 -0.233 1.00 10.00 H new ATOM 0 HA ILE A 90 9.042 -0.113 -2.001 1.00 10.00 H new ATOM 0 HB ILE A 90 11.734 1.134 -1.614 1.00 10.00 H new ATOM 0 HG12 ILE A 90 11.259 0.277 0.596 1.00 10.00 H new ATOM 0 HG13 ILE A 90 10.969 2.005 0.605 1.00 10.00 H new ATOM 0 HG21 ILE A 90 10.376 3.213 -1.356 1.00 10.00 H new ATOM 0 HG22 ILE A 90 10.050 2.387 -2.898 1.00 10.00 H new ATOM 0 HG23 ILE A 90 8.893 2.248 -1.553 1.00 10.00 H new ATOM 0 HD11 ILE A 90 9.247 0.821 1.835 1.00 10.00 H new ATOM 0 HD12 ILE A 90 8.560 1.615 0.398 1.00 10.00 H new ATOM 0 HD13 ILE A 90 8.855 -0.140 0.389 1.00 10.00 H new ATOM 1323 N LEU A 91 11.976 -0.353 -3.397 1.00 10.00 N ATOM 1324 CA LEU A 91 12.768 -0.585 -4.616 1.00 10.00 C ATOM 1325 C LEU A 91 12.426 0.355 -5.777 1.00 10.00 C ATOM 1326 O LEU A 91 13.095 0.320 -6.826 1.00 10.00 O ATOM 1327 CB LEU A 91 12.729 -2.060 -5.069 1.00 10.00 C ATOM 1328 CG LEU A 91 13.377 -3.080 -4.127 1.00 10.00 C ATOM 1329 CD1 LEU A 91 13.196 -4.490 -4.666 1.00 10.00 C ATOM 1330 CD2 LEU A 91 14.859 -2.779 -3.942 1.00 10.00 C ATOM 0 H LEU A 91 12.551 -0.075 -2.602 1.00 10.00 H new ATOM 0 HA LEU A 91 13.791 -0.345 -4.326 1.00 10.00 H new ATOM 0 HB2 LEU A 91 11.687 -2.345 -5.216 1.00 10.00 H new ATOM 0 HB3 LEU A 91 13.219 -2.132 -6.040 1.00 10.00 H new ATOM 0 HG LEU A 91 12.884 -3.007 -3.157 1.00 10.00 H new ATOM 0 HD11 LEU A 91 13.662 -5.202 -3.985 1.00 10.00 H new ATOM 0 HD12 LEU A 91 12.133 -4.713 -4.752 1.00 10.00 H new ATOM 0 HD13 LEU A 91 13.664 -4.567 -5.648 1.00 10.00 H new ATOM 0 HD21 LEU A 91 15.299 -3.516 -3.270 1.00 10.00 H new ATOM 0 HD22 LEU A 91 15.363 -2.823 -4.908 1.00 10.00 H new ATOM 0 HD23 LEU A 91 14.978 -1.783 -3.516 1.00 10.00 H new ATOM 1342 N ALA A 92 11.390 1.161 -5.630 1.00 10.00 N ATOM 1343 CA ALA A 92 11.062 2.134 -6.638 1.00 10.00 C ATOM 1344 C ALA A 92 10.578 3.394 -5.998 1.00 10.00 C ATOM 1345 O ALA A 92 9.585 3.381 -5.291 1.00 10.00 O ATOM 1346 CB ALA A 92 10.008 1.600 -7.580 1.00 10.00 C ATOM 0 H ALA A 92 10.767 1.156 -4.822 1.00 10.00 H new ATOM 0 HA ALA A 92 11.964 2.346 -7.213 1.00 10.00 H new ATOM 0 HB1 ALA A 92 9.777 2.354 -8.333 1.00 10.00 H new ATOM 0 HB2 ALA A 92 10.380 0.700 -8.070 1.00 10.00 H new ATOM 0 HB3 ALA A 92 9.105 1.360 -7.018 1.00 10.00 H new ATOM 1352 N GLU A 93 11.288 4.475 -6.206 1.00 10.00 N ATOM 1353 CA GLU A 93 10.866 5.765 -5.697 1.00 10.00 C ATOM 1354 C GLU A 93 11.109 6.799 -6.767 1.00 10.00 C ATOM 1355 O GLU A 93 12.261 7.121 -7.096 1.00 10.00 O ATOM 1356 CB GLU A 93 11.604 6.147 -4.414 1.00 10.00 C ATOM 1357 CG GLU A 93 11.470 5.156 -3.305 1.00 10.00 C ATOM 1358 CD GLU A 93 12.204 5.568 -2.079 1.00 10.00 C ATOM 1359 OE1 GLU A 93 11.686 6.394 -1.315 1.00 10.00 O ATOM 1360 OE2 GLU A 93 13.329 5.077 -1.855 1.00 10.00 O ATOM 0 H GLU A 93 12.165 4.491 -6.726 1.00 10.00 H new ATOM 0 HA GLU A 93 9.807 5.713 -5.446 1.00 10.00 H new ATOM 0 HB2 GLU A 93 12.662 6.276 -4.643 1.00 10.00 H new ATOM 0 HB3 GLU A 93 11.232 7.112 -4.069 1.00 10.00 H new ATOM 0 HG2 GLU A 93 10.415 5.025 -3.065 1.00 10.00 H new ATOM 0 HG3 GLU A 93 11.844 4.188 -3.640 1.00 10.00 H new ATOM 1367 N GLU A 94 10.056 7.304 -7.305 1.00 10.00 N ATOM 1368 CA GLU A 94 10.126 8.228 -8.400 1.00 10.00 C ATOM 1369 C GLU A 94 9.480 9.560 -8.056 1.00 10.00 C ATOM 1370 O GLU A 94 8.354 9.603 -7.543 1.00 10.00 O ATOM 1371 CB GLU A 94 9.492 7.599 -9.653 1.00 10.00 C ATOM 1372 CG GLU A 94 8.135 6.966 -9.402 1.00 10.00 C ATOM 1373 CD GLU A 94 7.506 6.418 -10.650 1.00 10.00 C ATOM 1374 OE1 GLU A 94 8.002 5.426 -11.197 1.00 10.00 O ATOM 1375 OE2 GLU A 94 6.513 6.999 -11.136 1.00 10.00 O ATOM 0 H GLU A 94 9.107 7.090 -7.000 1.00 10.00 H new ATOM 0 HA GLU A 94 11.175 8.437 -8.608 1.00 10.00 H new ATOM 0 HB2 GLU A 94 9.388 8.366 -10.420 1.00 10.00 H new ATOM 0 HB3 GLU A 94 10.168 6.841 -10.049 1.00 10.00 H new ATOM 0 HG2 GLU A 94 8.244 6.163 -8.673 1.00 10.00 H new ATOM 0 HG3 GLU A 94 7.469 7.708 -8.962 1.00 10.00 H new ATOM 1382 N SER A 95 10.211 10.633 -8.275 1.00 10.00 N ATOM 1383 CA SER A 95 9.702 11.974 -8.080 1.00 10.00 C ATOM 1384 C SER A 95 8.674 12.273 -9.153 1.00 10.00 C ATOM 1385 O SER A 95 8.957 12.143 -10.356 1.00 10.00 O ATOM 1386 CB SER A 95 10.848 12.976 -8.117 1.00 10.00 C ATOM 1387 OG SER A 95 11.836 12.630 -7.155 1.00 10.00 O ATOM 0 H SER A 95 11.179 10.599 -8.595 1.00 10.00 H new ATOM 0 HA SER A 95 9.223 12.054 -7.104 1.00 10.00 H new ATOM 0 HB2 SER A 95 11.291 12.996 -9.113 1.00 10.00 H new ATOM 0 HB3 SER A 95 10.470 13.979 -7.916 1.00 10.00 H new ATOM 0 HG SER A 95 12.568 13.280 -7.190 1.00 10.00 H new ATOM 1393 N ILE A 96 7.491 12.642 -8.728 1.00 10.00 N ATOM 1394 CA ILE A 96 6.379 12.818 -9.641 1.00 10.00 C ATOM 1395 C ILE A 96 5.711 14.177 -9.630 1.00 10.00 C ATOM 1396 O ILE A 96 5.991 15.033 -8.804 1.00 10.00 O ATOM 1397 CB ILE A 96 5.298 11.789 -9.418 1.00 10.00 C ATOM 1398 CG1 ILE A 96 4.867 11.773 -7.962 1.00 10.00 C ATOM 1399 CG2 ILE A 96 5.766 10.421 -9.899 1.00 10.00 C ATOM 1400 CD1 ILE A 96 3.553 11.146 -7.710 1.00 10.00 C ATOM 0 H ILE A 96 7.268 12.828 -7.750 1.00 10.00 H new ATOM 0 HA ILE A 96 6.862 12.702 -10.611 1.00 10.00 H new ATOM 0 HB ILE A 96 4.420 12.058 -10.006 1.00 10.00 H new ATOM 0 HG12 ILE A 96 5.623 11.245 -7.380 1.00 10.00 H new ATOM 0 HG13 ILE A 96 4.840 12.799 -7.595 1.00 10.00 H new ATOM 0 HG21 ILE A 96 4.977 9.687 -9.733 1.00 10.00 H new ATOM 0 HG22 ILE A 96 5.998 10.469 -10.963 1.00 10.00 H new ATOM 0 HG23 ILE A 96 6.658 10.126 -9.346 1.00 10.00 H new ATOM 0 HD11 ILE A 96 3.331 11.182 -6.643 1.00 10.00 H new ATOM 0 HD12 ILE A 96 2.781 11.685 -8.259 1.00 10.00 H new ATOM 0 HD13 ILE A 96 3.576 10.108 -8.041 1.00 10.00 H new ATOM 1412 N ALA A 97 4.800 14.343 -10.586 1.00 10.00 N ATOM 1413 CA ALA A 97 3.951 15.522 -10.685 1.00 10.00 C ATOM 1414 C ALA A 97 2.582 15.192 -10.214 1.00 10.00 C ATOM 1415 O ALA A 97 1.668 16.037 -10.191 1.00 10.00 O ATOM 1416 CB ALA A 97 3.875 16.009 -12.079 1.00 10.00 C ATOM 0 H ALA A 97 4.631 13.655 -11.320 1.00 10.00 H new ATOM 0 HA ALA A 97 4.386 16.305 -10.064 1.00 10.00 H new ATOM 0 HB1 ALA A 97 3.234 16.890 -12.122 1.00 10.00 H new ATOM 0 HB2 ALA A 97 4.874 16.269 -12.428 1.00 10.00 H new ATOM 0 HB3 ALA A 97 3.460 15.227 -12.715 1.00 10.00 H new ATOM 1422 N LYS A 98 2.491 13.978 -9.809 1.00 10.00 N ATOM 1423 CA LYS A 98 1.348 13.357 -9.314 1.00 10.00 C ATOM 1424 C LYS A 98 0.184 13.426 -10.313 1.00 10.00 C ATOM 1425 O LYS A 98 0.418 13.580 -11.522 1.00 10.00 O ATOM 1426 CB LYS A 98 1.109 13.989 -7.996 1.00 10.00 C ATOM 1427 CG LYS A 98 0.263 13.254 -7.086 1.00 10.00 C ATOM 1428 CD LYS A 98 -0.864 14.056 -6.572 1.00 10.00 C ATOM 1429 CE LYS A 98 -0.496 14.563 -5.257 1.00 10.00 C ATOM 1430 NZ LYS A 98 -1.587 15.332 -4.618 1.00 10.00 N ATOM 0 H LYS A 98 3.295 13.350 -9.823 1.00 10.00 H new ATOM 0 HA LYS A 98 1.463 12.282 -9.178 1.00 10.00 H new ATOM 0 HB2 LYS A 98 2.073 14.152 -7.513 1.00 10.00 H new ATOM 0 HB3 LYS A 98 0.665 14.971 -8.161 1.00 10.00 H new ATOM 0 HG2 LYS A 98 -0.128 12.372 -7.594 1.00 10.00 H new ATOM 0 HG3 LYS A 98 0.862 12.900 -6.247 1.00 10.00 H new ATOM 0 HD2 LYS A 98 -1.085 14.881 -7.250 1.00 10.00 H new ATOM 0 HD3 LYS A 98 -1.766 13.447 -6.507 1.00 10.00 H new ATOM 0 HE2 LYS A 98 -0.220 13.727 -4.614 1.00 10.00 H new ATOM 0 HE3 LYS A 98 0.385 15.198 -5.350 1.00 10.00 H new ATOM 0 HZ1 LYS A 98 -1.345 16.343 -4.618 1.00 10.00 H new ATOM 0 HZ2 LYS A 98 -2.470 15.187 -5.148 1.00 10.00 H new ATOM 0 HZ3 LYS A 98 -1.714 15.007 -3.638 1.00 10.00 H new ATOM 1444 N ARG A 99 -1.018 13.191 -9.821 1.00 10.00 N ATOM 1445 CA ARG A 99 -2.256 13.269 -10.591 1.00 10.00 C ATOM 1446 C ARG A 99 -2.592 11.988 -11.305 1.00 10.00 C ATOM 1447 O ARG A 99 -3.374 11.976 -12.263 1.00 10.00 O ATOM 1448 CB ARG A 99 -2.318 14.505 -11.513 1.00 10.00 C ATOM 1449 CG ARG A 99 -2.828 15.767 -10.841 1.00 10.00 C ATOM 1450 CD ARG A 99 -4.275 15.585 -10.408 1.00 10.00 C ATOM 1451 NE ARG A 99 -5.092 15.124 -11.536 1.00 10.00 N ATOM 1452 CZ ARG A 99 -6.311 14.588 -11.461 1.00 10.00 C ATOM 1453 NH1 ARG A 99 -6.961 14.533 -10.310 1.00 10.00 N ATOM 1454 NH2 ARG A 99 -6.882 14.132 -12.558 1.00 10.00 N ATOM 0 H ARG A 99 -1.170 12.933 -8.846 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.047 13.410 -9.854 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -1.321 14.697 -11.909 1.00 10.00 H new ATOM 0 HB3 ARG A 99 -2.960 14.276 -12.363 1.00 10.00 H new ATOM 0 HG2 ARG A 99 -2.209 16.002 -9.975 1.00 10.00 H new ATOM 0 HG3 ARG A 99 -2.750 16.610 -11.527 1.00 10.00 H new ATOM 0 HD2 ARG A 99 -4.329 14.864 -9.593 1.00 10.00 H new ATOM 0 HD3 ARG A 99 -4.669 16.527 -10.027 1.00 10.00 H new ATOM 0 HE ARG A 99 -4.689 15.223 -12.468 1.00 10.00 H new ATOM 0 HH11 ARG A 99 -6.530 14.904 -9.463 1.00 10.00 H new ATOM 0 HH12 ARG A 99 -7.893 14.120 -10.270 1.00 10.00 H new ATOM 0 HH21 ARG A 99 -6.392 14.191 -13.451 1.00 10.00 H new ATOM 0 HH22 ARG A 99 -7.814 13.720 -12.514 1.00 10.00 H new ATOM 1468 N ARG A 100 -2.088 10.901 -10.792 1.00 10.00 N ATOM 1469 CA ARG A 100 -2.352 9.633 -11.388 1.00 10.00 C ATOM 1470 C ARG A 100 -3.579 8.951 -10.786 1.00 10.00 C ATOM 1471 O ARG A 100 -4.459 8.506 -11.529 1.00 10.00 O ATOM 1472 CB ARG A 100 -1.110 8.763 -11.334 1.00 10.00 C ATOM 1473 CG ARG A 100 0.047 9.411 -12.073 1.00 10.00 C ATOM 1474 CD ARG A 100 1.333 8.615 -11.941 1.00 10.00 C ATOM 1475 NE ARG A 100 2.421 9.166 -12.773 1.00 10.00 N ATOM 1476 CZ ARG A 100 3.724 8.846 -12.656 1.00 10.00 C ATOM 1477 NH1 ARG A 100 4.112 7.978 -11.731 1.00 10.00 N ATOM 1478 NH2 ARG A 100 4.624 9.389 -13.470 1.00 10.00 N ATOM 0 H ARG A 100 -1.494 10.873 -9.964 1.00 10.00 H new ATOM 0 HA ARG A 100 -2.600 9.794 -12.437 1.00 10.00 H new ATOM 0 HB2 ARG A 100 -0.830 8.589 -10.295 1.00 10.00 H new ATOM 0 HB3 ARG A 100 -1.326 7.789 -11.773 1.00 10.00 H new ATOM 0 HG2 ARG A 100 -0.209 9.511 -13.128 1.00 10.00 H new ATOM 0 HG3 ARG A 100 0.204 10.418 -11.686 1.00 10.00 H new ATOM 0 HD2 ARG A 100 1.646 8.605 -10.897 1.00 10.00 H new ATOM 0 HD3 ARG A 100 1.148 7.580 -12.228 1.00 10.00 H new ATOM 0 HE ARG A 100 2.166 9.842 -13.493 1.00 10.00 H new ATOM 0 HH11 ARG A 100 3.424 7.554 -11.109 1.00 10.00 H new ATOM 0 HH12 ARG A 100 5.099 7.735 -11.642 1.00 10.00 H new ATOM 0 HH21 ARG A 100 4.329 10.051 -14.187 1.00 10.00 H new ATOM 0 HH22 ARG A 100 5.610 9.143 -13.377 1.00 10.00 H new ATOM 1492 N PHE A 101 -3.672 8.863 -9.459 1.00 10.00 N ATOM 1493 CA PHE A 101 -4.833 8.190 -8.872 1.00 10.00 C ATOM 1494 C PHE A 101 -5.795 9.093 -8.128 1.00 10.00 C ATOM 1495 O PHE A 101 -6.932 8.688 -7.825 1.00 10.00 O ATOM 1496 CB PHE A 101 -4.457 6.921 -8.101 1.00 10.00 C ATOM 1497 CG PHE A 101 -4.168 5.748 -9.004 1.00 10.00 C ATOM 1498 CD1 PHE A 101 -3.086 5.759 -9.867 1.00 10.00 C ATOM 1499 CD2 PHE A 101 -5.003 4.647 -9.008 1.00 10.00 C ATOM 1500 CE1 PHE A 101 -2.844 4.695 -10.708 1.00 10.00 C ATOM 1501 CE2 PHE A 101 -4.764 3.578 -9.852 1.00 10.00 C ATOM 1502 CZ PHE A 101 -3.681 3.606 -10.701 1.00 10.00 C ATOM 0 H PHE A 101 -2.991 9.231 -8.794 1.00 10.00 H new ATOM 0 HA PHE A 101 -5.417 7.861 -9.732 1.00 10.00 H new ATOM 0 HB2 PHE A 101 -3.581 7.123 -7.485 1.00 10.00 H new ATOM 0 HB3 PHE A 101 -5.270 6.660 -7.424 1.00 10.00 H new ATOM 0 HD1 PHE A 101 -2.424 6.612 -9.881 1.00 10.00 H new ATOM 0 HD2 PHE A 101 -5.854 4.621 -8.343 1.00 10.00 H new ATOM 0 HE1 PHE A 101 -1.994 4.717 -11.374 1.00 10.00 H new ATOM 0 HE2 PHE A 101 -5.425 2.724 -9.845 1.00 10.00 H new ATOM 0 HZ PHE A 101 -3.490 2.773 -11.361 1.00 10.00 H new ATOM 1512 N ALA A 102 -5.336 10.288 -7.849 1.00 10.00 N ATOM 1513 CA ALA A 102 -6.107 11.419 -7.203 1.00 10.00 C ATOM 1514 C ALA A 102 -6.629 11.160 -5.765 1.00 10.00 C ATOM 1515 O ALA A 102 -6.954 12.102 -5.031 1.00 10.00 O ATOM 1516 CB ALA A 102 -7.211 11.933 -8.104 1.00 10.00 C ATOM 0 H ALA A 102 -4.374 10.551 -8.060 1.00 10.00 H new ATOM 0 HA ALA A 102 -5.355 12.197 -7.075 1.00 10.00 H new ATOM 0 HB1 ALA A 102 -7.741 12.744 -7.604 1.00 10.00 H new ATOM 0 HB2 ALA A 102 -6.779 12.301 -9.035 1.00 10.00 H new ATOM 0 HB3 ALA A 102 -7.909 11.124 -8.322 1.00 10.00 H new ATOM 1522 N GLY A 103 -6.716 9.938 -5.396 1.00 10.00 N ATOM 1523 CA GLY A 103 -7.059 9.535 -4.058 1.00 10.00 C ATOM 1524 C GLY A 103 -6.421 8.210 -3.827 1.00 10.00 C ATOM 1525 O GLY A 103 -5.975 7.617 -4.794 1.00 10.00 O ATOM 0 H GLY A 103 -6.548 9.154 -6.027 1.00 10.00 H new ATOM 0 HA2 GLY A 103 -6.704 10.266 -3.332 1.00 10.00 H new ATOM 0 HA3 GLY A 103 -8.141 9.468 -3.940 1.00 10.00 H new ATOM 1529 N TRP A 104 -6.306 7.747 -2.604 1.00 10.00 N ATOM 1530 CA TRP A 104 -5.780 6.422 -2.380 1.00 10.00 C ATOM 1531 C TRP A 104 -6.907 5.402 -2.515 1.00 10.00 C ATOM 1532 O TRP A 104 -8.030 5.634 -2.053 1.00 10.00 O ATOM 1533 CB TRP A 104 -4.987 6.333 -1.048 1.00 10.00 C ATOM 1534 CG TRP A 104 -4.544 4.955 -0.646 1.00 10.00 C ATOM 1535 CD1 TRP A 104 -3.320 4.369 -0.793 1.00 10.00 C ATOM 1536 CD2 TRP A 104 -5.353 4.010 0.000 1.00 10.00 C ATOM 1537 NE1 TRP A 104 -3.358 3.099 -0.295 1.00 10.00 N ATOM 1538 CE2 TRP A 104 -4.609 2.864 0.201 1.00 10.00 C ATOM 1539 CE3 TRP A 104 -6.654 4.041 0.407 1.00 10.00 C ATOM 1540 CZ2 TRP A 104 -5.160 1.760 0.815 1.00 10.00 C ATOM 1541 CZ3 TRP A 104 -7.191 3.020 0.983 1.00 10.00 C ATOM 1542 CH2 TRP A 104 -6.473 1.878 1.198 1.00 10.00 C ATOM 0 H TRP A 104 -6.565 8.259 -1.761 1.00 10.00 H new ATOM 0 HA TRP A 104 -5.042 6.182 -3.145 1.00 10.00 H new ATOM 0 HB2 TRP A 104 -4.106 6.969 -1.128 1.00 10.00 H new ATOM 0 HB3 TRP A 104 -5.606 6.743 -0.250 1.00 10.00 H new ATOM 0 HD1 TRP A 104 -2.454 4.839 -1.236 1.00 10.00 H new ATOM 0 HE1 TRP A 104 -2.583 2.436 -0.293 1.00 10.00 H new ATOM 0 HE3 TRP A 104 -7.242 4.932 0.245 1.00 10.00 H new ATOM 0 HZ2 TRP A 104 -4.593 0.857 0.985 1.00 10.00 H new ATOM 0 HZ3 TRP A 104 -8.222 3.068 1.300 1.00 10.00 H new ATOM 0 HH2 TRP A 104 -6.953 1.042 1.684 1.00 10.00 H new ATOM 1553 N HIS A 105 -6.614 4.304 -3.178 1.00 10.00 N ATOM 1554 CA HIS A 105 -7.597 3.289 -3.485 1.00 10.00 C ATOM 1555 C HIS A 105 -7.205 1.965 -2.846 1.00 10.00 C ATOM 1556 O HIS A 105 -6.027 1.715 -2.631 1.00 10.00 O ATOM 1557 CB HIS A 105 -7.653 3.104 -4.997 1.00 10.00 C ATOM 1558 CG HIS A 105 -8.139 4.298 -5.775 1.00 10.00 C ATOM 1559 ND1 HIS A 105 -9.455 4.520 -6.092 1.00 10.00 N ATOM 1560 CD2 HIS A 105 -7.457 5.328 -6.309 1.00 10.00 C ATOM 1561 CE1 HIS A 105 -9.557 5.631 -6.785 1.00 10.00 C ATOM 1562 NE2 HIS A 105 -8.361 6.143 -6.931 1.00 10.00 N ATOM 0 H HIS A 105 -5.678 4.089 -3.522 1.00 10.00 H new ATOM 0 HA HIS A 105 -8.567 3.601 -3.098 1.00 10.00 H new ATOM 0 HB2 HIS A 105 -6.656 2.842 -5.351 1.00 10.00 H new ATOM 0 HB3 HIS A 105 -8.303 2.258 -5.219 1.00 10.00 H new ATOM 0 HD2 HIS A 105 -6.389 5.483 -6.256 1.00 10.00 H new ATOM 0 HE1 HIS A 105 -10.474 6.052 -7.170 1.00 10.00 H new ATOM 0 HE2 HIS A 105 -8.140 7.007 -7.427 1.00 10.00 H new ATOM 1571 N MET A 106 -8.176 1.118 -2.578 1.00 10.00 N ATOM 1572 CA MET A 106 -7.903 -0.177 -1.981 1.00 10.00 C ATOM 1573 C MET A 106 -8.380 -1.266 -2.914 1.00 10.00 C ATOM 1574 O MET A 106 -9.426 -1.131 -3.559 1.00 10.00 O ATOM 1575 CB MET A 106 -8.580 -0.318 -0.604 1.00 10.00 C ATOM 1576 CG MET A 106 -8.211 -1.608 0.137 1.00 10.00 C ATOM 1577 SD MET A 106 -6.421 -1.776 0.277 1.00 10.00 S ATOM 1578 CE MET A 106 -6.192 -3.333 1.160 1.00 10.00 C ATOM 0 H MET A 106 -9.162 1.301 -2.763 1.00 10.00 H new ATOM 0 HA MET A 106 -6.828 -0.268 -1.827 1.00 10.00 H new ATOM 0 HB2 MET A 106 -8.306 0.537 0.015 1.00 10.00 H new ATOM 0 HB3 MET A 106 -9.661 -0.282 -0.736 1.00 10.00 H new ATOM 0 HG2 MET A 106 -8.659 -1.603 1.131 1.00 10.00 H new ATOM 0 HG3 MET A 106 -8.621 -2.467 -0.393 1.00 10.00 H new ATOM 0 HE1 MET A 106 -5.284 -3.280 1.761 1.00 10.00 H new ATOM 0 HE2 MET A 106 -7.048 -3.512 1.811 1.00 10.00 H new ATOM 0 HE3 MET A 106 -6.105 -4.149 0.442 1.00 10.00 H new ATOM 1588 N GLN A 107 -7.618 -2.329 -3.024 1.00 10.00 N ATOM 1589 CA GLN A 107 -7.999 -3.399 -3.903 1.00 10.00 C ATOM 1590 C GLN A 107 -8.953 -4.339 -3.198 1.00 10.00 C ATOM 1591 O GLN A 107 -10.067 -4.586 -3.675 1.00 10.00 O ATOM 1592 CB GLN A 107 -6.783 -4.163 -4.423 1.00 10.00 C ATOM 1593 CG GLN A 107 -7.089 -5.020 -5.639 1.00 10.00 C ATOM 1594 CD GLN A 107 -7.664 -4.179 -6.770 1.00 10.00 C ATOM 1595 OE1 GLN A 107 -8.877 -4.003 -6.879 1.00 10.00 O ATOM 1596 NE2 GLN A 107 -6.815 -3.631 -7.587 1.00 10.00 N ATOM 0 H GLN A 107 -6.742 -2.472 -2.521 1.00 10.00 H new ATOM 0 HA GLN A 107 -8.502 -2.960 -4.764 1.00 10.00 H new ATOM 0 HB2 GLN A 107 -5.997 -3.452 -4.676 1.00 10.00 H new ATOM 0 HB3 GLN A 107 -6.394 -4.798 -3.627 1.00 10.00 H new ATOM 0 HG2 GLN A 107 -6.179 -5.516 -5.977 1.00 10.00 H new ATOM 0 HG3 GLN A 107 -7.797 -5.803 -5.367 1.00 10.00 H new ATOM 0 HE21 GLN A 107 -5.815 -3.796 -7.470 1.00 10.00 H new ATOM 0 HE22 GLN A 107 -7.148 -3.036 -8.345 1.00 10.00 H new