USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 376 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 311 CYS SG : rot 0:sc= 1.19 USER MOD Set 1.2: A 314 CYS SG : rot 141:sc= -0.0606 USER MOD Set 1.3: A 337 CYS SG : rot -47:sc= 0.715 USER MOD Set 1.4: A 339 SER OG : rot -42:sc= 1.07 USER MOD Set 1.5: A 340 CYS SG : rot 150:sc= 0.474 USER MOD Set 2.1: A 299 CYS SG : rot -139:sc= -4.37! USER MOD Set 2.2: A 302 CYS SG : rot 108:sc= -1.53! USER MOD Set 2.3: A 319 HIS : no HD1:sc= -0.486 K(o=-11,f=-14!) USER MOD Set 2.4: A 322 CYS SG : rot 152:sc= -4.61! USER MOD Single : A 295 ASN : amide:sc= -5.43! K(o=-5.4!,f=-0.8) USER MOD Single : A 310 CYS SG : rot 40:sc= -2.29! USER MOD Single : A 324 SER OG : rot 180:sc= 0 USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 334 THR OG1 : rot 180:sc= 0 USER MOD Single : A 338 SER OG : rot 180:sc=0.000454 USER MOD Single : B 1 ALA N :NH3+ -114:sc= 0.197 (180deg=-1.11) USER MOD Single : B 3 THR OG1 : rot -8:sc= 0.663! USER MOD Single : B 4 LYS NZ :NH3+ -150:sc= 0.0647 (180deg=0) USER MOD Single : B 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N ASN A 295 1.959 1.634 -8.116 1.00 0.00 N ATOM 44 CA ASN A 295 1.023 2.703 -7.781 1.00 0.00 C ATOM 45 C ASN A 295 1.697 4.072 -7.830 1.00 0.00 C ATOM 46 O ASN A 295 2.847 4.196 -8.251 1.00 0.00 O ATOM 47 CB ASN A 295 0.416 2.460 -6.398 1.00 0.00 C ATOM 48 CG ASN A 295 1.465 2.197 -5.336 1.00 0.00 C ATOM 49 OD1 ASN A 295 1.918 1.066 -5.161 1.00 0.00 O ATOM 50 ND2 ASN A 295 1.849 3.241 -4.611 1.00 0.00 N ATOM 0 HA ASN A 295 0.228 2.697 -8.526 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -0.178 3.327 -6.109 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -0.265 1.610 -6.449 1.00 0.00 H new ATOM 0 HD21 ASN A 295 2.546 3.123 -3.875 1.00 0.00 H new ATOM 0 HD22 ASN A 295 1.447 4.161 -4.790 1.00 0.00 H new ATOM 57 N GLU A 296 0.969 5.098 -7.396 1.00 0.00 N ATOM 58 CA GLU A 296 1.485 6.463 -7.398 1.00 0.00 C ATOM 59 C GLU A 296 2.488 6.680 -6.265 1.00 0.00 C ATOM 60 O GLU A 296 2.916 7.804 -6.009 1.00 0.00 O ATOM 61 CB GLU A 296 0.330 7.461 -7.280 1.00 0.00 C ATOM 62 CG GLU A 296 0.699 8.880 -7.674 1.00 0.00 C ATOM 63 CD GLU A 296 1.315 8.965 -9.058 1.00 0.00 C ATOM 64 OE1 GLU A 296 0.553 8.982 -10.047 1.00 0.00 O ATOM 65 OE2 GLU A 296 2.559 9.010 -9.151 1.00 0.00 O ATOM 0 H GLU A 296 0.018 5.009 -7.038 1.00 0.00 H new ATOM 0 HA GLU A 296 2.005 6.626 -8.342 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -0.495 7.123 -7.908 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -0.032 7.463 -6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -0.193 9.505 -7.639 1.00 0.00 H new ATOM 0 HG3 GLU A 296 1.400 9.284 -6.944 1.00 0.00 H new ATOM 72 N ASP A 297 2.853 5.588 -5.595 1.00 0.00 N ATOM 73 CA ASP A 297 3.810 5.624 -4.487 1.00 0.00 C ATOM 74 C ASP A 297 3.521 6.772 -3.524 1.00 0.00 C ATOM 75 O ASP A 297 4.443 7.378 -2.979 1.00 0.00 O ATOM 76 CB ASP A 297 5.241 5.744 -5.016 1.00 0.00 C ATOM 77 CG ASP A 297 5.354 5.380 -6.484 1.00 0.00 C ATOM 78 OD1 ASP A 297 5.556 4.185 -6.786 1.00 0.00 O ATOM 79 OD2 ASP A 297 5.241 6.291 -7.331 1.00 0.00 O ATOM 0 H ASP A 297 2.496 4.656 -5.803 1.00 0.00 H new ATOM 0 HA ASP A 297 3.703 4.688 -3.940 1.00 0.00 H new ATOM 0 HB2 ASP A 297 5.593 6.765 -4.871 1.00 0.00 H new ATOM 0 HB3 ASP A 297 5.895 5.095 -4.433 1.00 0.00 H new ATOM 84 N GLU A 298 2.244 7.070 -3.318 1.00 0.00 N ATOM 85 CA GLU A 298 1.855 8.144 -2.412 1.00 0.00 C ATOM 86 C GLU A 298 0.568 7.798 -1.670 1.00 0.00 C ATOM 87 O GLU A 298 -0.411 7.355 -2.271 1.00 0.00 O ATOM 88 CB GLU A 298 1.695 9.460 -3.172 1.00 0.00 C ATOM 89 CG GLU A 298 0.522 9.483 -4.139 1.00 0.00 C ATOM 90 CD GLU A 298 0.324 10.844 -4.777 1.00 0.00 C ATOM 91 OE1 GLU A 298 1.099 11.188 -5.696 1.00 0.00 O ATOM 92 OE2 GLU A 298 -0.602 11.569 -4.356 1.00 0.00 O ATOM 0 H GLU A 298 1.464 6.586 -3.763 1.00 0.00 H new ATOM 0 HA GLU A 298 2.649 8.263 -1.675 1.00 0.00 H new ATOM 0 HB2 GLU A 298 1.574 10.270 -2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 298 2.612 9.660 -3.726 1.00 0.00 H new ATOM 0 HG2 GLU A 298 0.684 8.739 -4.919 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -0.387 9.197 -3.610 1.00 0.00 H new ATOM 99 N CYS A 299 0.584 7.998 -0.356 1.00 0.00 N ATOM 100 CA CYS A 299 -0.576 7.711 0.479 1.00 0.00 C ATOM 101 C CYS A 299 -1.699 8.705 0.204 1.00 0.00 C ATOM 102 O CYS A 299 -1.628 9.865 0.609 1.00 0.00 O ATOM 103 CB CYS A 299 -0.182 7.753 1.948 1.00 0.00 C ATOM 104 SG CYS A 299 -1.581 7.850 3.107 1.00 0.00 S ATOM 0 H CYS A 299 1.390 8.359 0.154 1.00 0.00 H new ATOM 0 HA CYS A 299 -0.939 6.712 0.237 1.00 0.00 H new ATOM 0 HB2 CYS A 299 0.403 6.863 2.179 1.00 0.00 H new ATOM 0 HB3 CYS A 299 0.468 8.613 2.111 1.00 0.00 H new ATOM 0 HG CYS A 299 -1.293 8.679 4.066 1.00 0.00 H new ATOM 109 N ALA A 300 -2.742 8.228 -0.463 1.00 0.00 N ATOM 110 CA ALA A 300 -3.880 9.066 -0.826 1.00 0.00 C ATOM 111 C ALA A 300 -4.658 9.580 0.387 1.00 0.00 C ATOM 112 O ALA A 300 -5.707 10.203 0.225 1.00 0.00 O ATOM 113 CB ALA A 300 -4.807 8.298 -1.759 1.00 0.00 C ATOM 0 H ALA A 300 -2.824 7.258 -0.766 1.00 0.00 H new ATOM 0 HA ALA A 300 -3.481 9.944 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -5.656 8.927 -2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.264 8.017 -2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.166 7.400 -1.257 1.00 0.00 H new ATOM 119 N VAL A 301 -4.160 9.327 1.598 1.00 0.00 N ATOM 120 CA VAL A 301 -4.856 9.793 2.797 1.00 0.00 C ATOM 121 C VAL A 301 -4.123 10.949 3.485 1.00 0.00 C ATOM 122 O VAL A 301 -4.763 11.848 4.031 1.00 0.00 O ATOM 123 CB VAL A 301 -5.085 8.653 3.822 1.00 0.00 C ATOM 124 CG1 VAL A 301 -4.806 7.303 3.195 1.00 0.00 C ATOM 125 CG2 VAL A 301 -4.255 8.858 5.079 1.00 0.00 C ATOM 0 H VAL A 301 -3.296 8.813 1.773 1.00 0.00 H new ATOM 0 HA VAL A 301 -5.824 10.152 2.448 1.00 0.00 H new ATOM 0 HB VAL A 301 -6.134 8.678 4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 301 -4.973 6.518 3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 301 -5.473 7.151 2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 301 -3.771 7.267 2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 301 -4.441 8.040 5.775 1.00 0.00 H new ATOM 0 HG22 VAL A 301 -3.197 8.878 4.817 1.00 0.00 H new ATOM 0 HG23 VAL A 301 -4.531 9.803 5.547 1.00 0.00 H new ATOM 135 N CYS A 302 -2.789 10.935 3.462 1.00 0.00 N ATOM 136 CA CYS A 302 -2.025 11.988 4.132 1.00 0.00 C ATOM 137 C CYS A 302 -0.837 12.458 3.293 1.00 0.00 C ATOM 138 O CYS A 302 0.076 13.112 3.800 1.00 0.00 O ATOM 139 CB CYS A 302 -1.567 11.515 5.519 1.00 0.00 C ATOM 140 SG CYS A 302 -0.107 10.421 5.525 1.00 0.00 S ATOM 0 H CYS A 302 -2.226 10.223 2.998 1.00 0.00 H new ATOM 0 HA CYS A 302 -2.685 12.847 4.255 1.00 0.00 H new ATOM 0 HB2 CYS A 302 -1.347 12.391 6.129 1.00 0.00 H new ATOM 0 HB3 CYS A 302 -2.395 10.992 5.998 1.00 0.00 H new ATOM 0 HG CYS A 302 0.919 11.069 5.992 1.00 0.00 H new ATOM 145 N ARG A 303 -0.869 12.125 2.007 1.00 0.00 N ATOM 146 CA ARG A 303 0.173 12.521 1.059 1.00 0.00 C ATOM 147 C ARG A 303 1.590 12.345 1.612 1.00 0.00 C ATOM 148 O ARG A 303 2.486 13.123 1.283 1.00 0.00 O ATOM 149 CB ARG A 303 -0.033 13.979 0.640 1.00 0.00 C ATOM 150 CG ARG A 303 -1.449 14.296 0.187 1.00 0.00 C ATOM 151 CD ARG A 303 -1.833 13.488 -1.038 1.00 0.00 C ATOM 152 NE ARG A 303 -3.240 13.657 -1.390 1.00 0.00 N ATOM 153 CZ ARG A 303 -3.818 13.062 -2.429 1.00 0.00 C ATOM 154 NH1 ARG A 303 -3.112 12.262 -3.218 1.00 0.00 N ATOM 155 NH2 ARG A 303 -5.104 13.266 -2.682 1.00 0.00 N ATOM 0 H ARG A 303 -1.618 11.572 1.590 1.00 0.00 H new ATOM 0 HA ARG A 303 0.081 11.858 0.199 1.00 0.00 H new ATOM 0 HB2 ARG A 303 0.223 14.627 1.478 1.00 0.00 H new ATOM 0 HB3 ARG A 303 0.658 14.215 -0.169 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -2.147 14.085 0.997 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -1.531 15.360 -0.036 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -1.210 13.790 -1.880 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -1.630 12.433 -0.854 1.00 0.00 H new ATOM 0 HE ARG A 303 -3.812 14.266 -0.805 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -2.123 12.102 -3.028 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -3.559 11.807 -4.014 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -5.651 13.880 -2.079 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -5.546 12.809 -3.480 1.00 0.00 H new ATOM 169 N ASP A 304 1.798 11.328 2.443 1.00 0.00 N ATOM 170 CA ASP A 304 3.124 11.075 3.006 1.00 0.00 C ATOM 171 C ASP A 304 3.728 9.804 2.416 1.00 0.00 C ATOM 172 O ASP A 304 3.065 9.080 1.670 1.00 0.00 O ATOM 173 CB ASP A 304 3.062 10.974 4.531 1.00 0.00 C ATOM 174 CG ASP A 304 2.899 12.328 5.195 1.00 0.00 C ATOM 175 OD1 ASP A 304 3.861 13.124 5.161 1.00 0.00 O ATOM 176 OD2 ASP A 304 1.811 12.594 5.748 1.00 0.00 O ATOM 0 H ASP A 304 1.076 10.672 2.740 1.00 0.00 H new ATOM 0 HA ASP A 304 3.764 11.918 2.744 1.00 0.00 H new ATOM 0 HB2 ASP A 304 2.230 10.330 4.816 1.00 0.00 H new ATOM 0 HB3 ASP A 304 3.972 10.500 4.898 1.00 0.00 H new ATOM 181 N GLY A 305 4.989 9.539 2.751 1.00 0.00 N ATOM 182 CA GLY A 305 5.663 8.363 2.233 1.00 0.00 C ATOM 183 C GLY A 305 5.895 7.294 3.284 1.00 0.00 C ATOM 184 O GLY A 305 5.673 7.518 4.474 1.00 0.00 O ATOM 0 H GLY A 305 5.554 10.118 3.372 1.00 0.00 H new ATOM 0 HA2 GLY A 305 5.071 7.942 1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 305 6.622 8.660 1.808 1.00 0.00 H new ATOM 188 N GLY A 306 6.360 6.133 2.831 1.00 0.00 N ATOM 189 CA GLY A 306 6.613 5.016 3.724 1.00 0.00 C ATOM 190 C GLY A 306 6.026 3.735 3.170 1.00 0.00 C ATOM 191 O GLY A 306 5.938 3.569 1.953 1.00 0.00 O ATOM 0 H GLY A 306 6.568 5.945 1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 306 7.687 4.896 3.867 1.00 0.00 H new ATOM 0 HA3 GLY A 306 6.182 5.224 4.703 1.00 0.00 H new ATOM 195 N GLU A 307 5.626 2.818 4.044 1.00 0.00 N ATOM 196 CA GLU A 307 5.030 1.573 3.592 1.00 0.00 C ATOM 197 C GLU A 307 3.555 1.796 3.290 1.00 0.00 C ATOM 198 O GLU A 307 2.763 2.061 4.195 1.00 0.00 O ATOM 199 CB GLU A 307 5.198 0.486 4.655 1.00 0.00 C ATOM 200 CG GLU A 307 4.739 -0.892 4.203 1.00 0.00 C ATOM 201 CD GLU A 307 3.252 -1.111 4.399 1.00 0.00 C ATOM 202 OE1 GLU A 307 2.800 -1.098 5.563 1.00 0.00 O ATOM 203 OE2 GLU A 307 2.540 -1.295 3.390 1.00 0.00 O ATOM 0 H GLU A 307 5.703 2.914 5.057 1.00 0.00 H new ATOM 0 HA GLU A 307 5.535 1.243 2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 307 6.248 0.432 4.943 1.00 0.00 H new ATOM 0 HB3 GLU A 307 4.637 0.772 5.545 1.00 0.00 H new ATOM 0 HG2 GLU A 307 4.985 -1.024 3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 307 5.289 -1.653 4.757 1.00 0.00 H new ATOM 210 N LEU A 308 3.187 1.689 2.018 1.00 0.00 N ATOM 211 CA LEU A 308 1.803 1.896 1.615 1.00 0.00 C ATOM 212 C LEU A 308 1.243 0.674 0.895 1.00 0.00 C ATOM 213 O LEU A 308 1.984 -0.099 0.292 1.00 0.00 O ATOM 214 CB LEU A 308 1.671 3.115 0.701 1.00 0.00 C ATOM 215 CG LEU A 308 2.738 4.192 0.853 1.00 0.00 C ATOM 216 CD1 LEU A 308 2.695 5.134 -0.338 1.00 0.00 C ATOM 217 CD2 LEU A 308 2.518 4.960 2.138 1.00 0.00 C ATOM 0 H LEU A 308 3.823 1.462 1.254 1.00 0.00 H new ATOM 0 HA LEU A 308 1.231 2.064 2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.678 2.770 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 308 0.697 3.571 0.878 1.00 0.00 H new ATOM 0 HG LEU A 308 3.719 3.719 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 308 3.460 5.901 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 308 2.880 4.572 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 308 1.714 5.606 -0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 308 3.285 5.728 2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 308 1.535 5.430 2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 308 2.576 4.276 2.985 1.00 0.00 H new ATOM 229 N ILE A 309 -0.073 0.526 0.965 1.00 0.00 N ATOM 230 CA ILE A 309 -0.776 -0.574 0.321 1.00 0.00 C ATOM 231 C ILE A 309 -1.666 -0.046 -0.801 1.00 0.00 C ATOM 232 O ILE A 309 -2.639 0.669 -0.556 1.00 0.00 O ATOM 233 CB ILE A 309 -1.635 -1.343 1.340 1.00 0.00 C ATOM 234 CG1 ILE A 309 -2.478 -2.410 0.644 1.00 0.00 C ATOM 235 CG2 ILE A 309 -2.517 -0.387 2.117 1.00 0.00 C ATOM 236 CD1 ILE A 309 -3.260 -3.275 1.605 1.00 0.00 C ATOM 0 H ILE A 309 -0.684 1.167 1.471 1.00 0.00 H new ATOM 0 HA ILE A 309 -0.033 -1.253 -0.096 1.00 0.00 H new ATOM 0 HB ILE A 309 -0.968 -1.844 2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 309 -3.171 -1.924 -0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 309 -1.826 -3.044 0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 309 -3.118 -0.947 2.833 1.00 0.00 H new ATOM 0 HG22 ILE A 309 -1.894 0.332 2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 309 -3.174 0.143 1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 309 -3.837 -4.011 1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 309 -2.571 -3.788 2.276 1.00 0.00 H new ATOM 0 HD13 ILE A 309 -3.937 -2.651 2.188 1.00 0.00 H new ATOM 248 N CYS A 310 -1.323 -0.394 -2.031 1.00 0.00 N ATOM 249 CA CYS A 310 -2.080 0.057 -3.190 1.00 0.00 C ATOM 250 C CYS A 310 -3.323 -0.798 -3.425 1.00 0.00 C ATOM 251 O CYS A 310 -3.314 -2.006 -3.191 1.00 0.00 O ATOM 252 CB CYS A 310 -1.192 0.036 -4.431 1.00 0.00 C ATOM 253 SG CYS A 310 -2.104 0.023 -5.992 1.00 0.00 S ATOM 0 H CYS A 310 -0.524 -0.988 -2.254 1.00 0.00 H new ATOM 0 HA CYS A 310 -2.412 1.076 -2.993 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -0.539 0.908 -4.412 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -0.550 -0.844 -4.390 1.00 0.00 H new ATOM 0 HG CYS A 310 -3.130 0.817 -5.902 1.00 0.00 H new ATOM 259 N CYS A 311 -4.393 -0.154 -3.894 1.00 0.00 N ATOM 260 CA CYS A 311 -5.646 -0.850 -4.179 1.00 0.00 C ATOM 261 C CYS A 311 -5.541 -1.610 -5.497 1.00 0.00 C ATOM 262 O CYS A 311 -5.096 -1.060 -6.505 1.00 0.00 O ATOM 263 CB CYS A 311 -6.817 0.142 -4.242 1.00 0.00 C ATOM 264 SG CYS A 311 -8.427 -0.635 -4.620 1.00 0.00 S ATOM 0 H CYS A 311 -4.416 0.848 -4.084 1.00 0.00 H new ATOM 0 HA CYS A 311 -5.832 -1.559 -3.372 1.00 0.00 H new ATOM 0 HB2 CYS A 311 -6.891 0.662 -3.287 1.00 0.00 H new ATOM 0 HB3 CYS A 311 -6.602 0.895 -5.000 1.00 0.00 H new ATOM 0 HG CYS A 311 -8.266 -1.916 -4.769 1.00 0.00 H new ATOM 269 N ASP A 312 -5.951 -2.876 -5.485 1.00 0.00 N ATOM 270 CA ASP A 312 -5.901 -3.704 -6.685 1.00 0.00 C ATOM 271 C ASP A 312 -6.827 -3.157 -7.766 1.00 0.00 C ATOM 272 O ASP A 312 -6.876 -3.682 -8.879 1.00 0.00 O ATOM 273 CB ASP A 312 -6.275 -5.152 -6.358 1.00 0.00 C ATOM 274 CG ASP A 312 -5.116 -5.931 -5.768 1.00 0.00 C ATOM 275 OD1 ASP A 312 -4.125 -6.161 -6.495 1.00 0.00 O ATOM 276 OD2 ASP A 312 -5.197 -6.314 -4.583 1.00 0.00 O ATOM 0 H ASP A 312 -6.320 -3.349 -4.660 1.00 0.00 H new ATOM 0 HA ASP A 312 -4.879 -3.681 -7.063 1.00 0.00 H new ATOM 0 HB2 ASP A 312 -7.108 -5.159 -5.656 1.00 0.00 H new ATOM 0 HB3 ASP A 312 -6.619 -5.649 -7.265 1.00 0.00 H new ATOM 281 N GLY A 313 -7.560 -2.100 -7.431 1.00 0.00 N ATOM 282 CA GLY A 313 -8.470 -1.496 -8.383 1.00 0.00 C ATOM 283 C GLY A 313 -8.272 0.003 -8.519 1.00 0.00 C ATOM 284 O GLY A 313 -8.975 0.653 -9.293 1.00 0.00 O ATOM 0 H GLY A 313 -7.539 -1.651 -6.515 1.00 0.00 H new ATOM 0 HA2 GLY A 313 -8.333 -1.965 -9.357 1.00 0.00 H new ATOM 0 HA3 GLY A 313 -9.496 -1.696 -8.074 1.00 0.00 H new ATOM 288 N CYS A 314 -7.318 0.560 -7.774 1.00 0.00 N ATOM 289 CA CYS A 314 -7.053 1.995 -7.834 1.00 0.00 C ATOM 290 C CYS A 314 -5.564 2.306 -7.688 1.00 0.00 C ATOM 291 O CYS A 314 -4.814 1.544 -7.080 1.00 0.00 O ATOM 292 CB CYS A 314 -7.836 2.736 -6.751 1.00 0.00 C ATOM 293 SG CYS A 314 -9.610 2.333 -6.707 1.00 0.00 S ATOM 0 H CYS A 314 -6.721 0.044 -7.128 1.00 0.00 H new ATOM 0 HA CYS A 314 -7.379 2.337 -8.816 1.00 0.00 H new ATOM 0 HB2 CYS A 314 -7.398 2.506 -5.780 1.00 0.00 H new ATOM 0 HB3 CYS A 314 -7.722 3.809 -6.906 1.00 0.00 H new ATOM 0 HG CYS A 314 -10.009 2.264 -5.472 1.00 0.00 H new ATOM 298 N PRO A 315 -5.127 3.455 -8.241 1.00 0.00 N ATOM 299 CA PRO A 315 -3.730 3.900 -8.195 1.00 0.00 C ATOM 300 C PRO A 315 -3.351 4.501 -6.847 1.00 0.00 C ATOM 301 O PRO A 315 -2.313 5.150 -6.717 1.00 0.00 O ATOM 302 CB PRO A 315 -3.663 4.998 -9.270 1.00 0.00 C ATOM 303 CG PRO A 315 -4.996 4.991 -9.950 1.00 0.00 C ATOM 304 CD PRO A 315 -5.961 4.419 -8.960 1.00 0.00 C ATOM 0 HA PRO A 315 -3.046 3.066 -8.355 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -3.458 5.971 -8.822 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -2.861 4.799 -9.981 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -5.290 5.999 -10.243 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -4.967 4.390 -10.859 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -6.365 5.183 -8.296 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -6.810 3.940 -9.448 1.00 0.00 H new ATOM 312 N ARG A 316 -4.193 4.280 -5.846 1.00 0.00 N ATOM 313 CA ARG A 316 -3.952 4.827 -4.516 1.00 0.00 C ATOM 314 C ARG A 316 -3.132 3.883 -3.652 1.00 0.00 C ATOM 315 O ARG A 316 -2.987 2.704 -3.963 1.00 0.00 O ATOM 316 CB ARG A 316 -5.275 5.121 -3.818 1.00 0.00 C ATOM 317 CG ARG A 316 -6.025 6.304 -4.399 1.00 0.00 C ATOM 318 CD ARG A 316 -7.367 6.482 -3.711 1.00 0.00 C ATOM 319 NE ARG A 316 -8.419 5.686 -4.338 1.00 0.00 N ATOM 320 CZ ARG A 316 -9.687 5.690 -3.935 1.00 0.00 C ATOM 321 NH1 ARG A 316 -10.057 6.443 -2.907 1.00 0.00 N ATOM 322 NH2 ARG A 316 -10.586 4.941 -4.561 1.00 0.00 N ATOM 0 H ARG A 316 -5.047 3.728 -5.928 1.00 0.00 H new ATOM 0 HA ARG A 316 -3.386 5.749 -4.647 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -5.910 4.237 -3.876 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -5.084 5.308 -2.761 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -5.430 7.210 -4.284 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -6.176 6.155 -5.468 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -7.276 6.199 -2.662 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -7.648 7.535 -3.734 1.00 0.00 H new ATOM 0 HE ARG A 316 -8.167 5.094 -5.129 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -9.369 7.020 -2.424 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -11.030 6.444 -2.600 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -10.305 4.361 -5.352 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -11.558 4.945 -4.251 1.00 0.00 H new ATOM 336 N ALA A 317 -2.603 4.432 -2.564 1.00 0.00 N ATOM 337 CA ALA A 317 -1.810 3.680 -1.602 1.00 0.00 C ATOM 338 C ALA A 317 -2.180 4.139 -0.191 1.00 0.00 C ATOM 339 O ALA A 317 -2.515 5.306 0.007 1.00 0.00 O ATOM 340 CB ALA A 317 -0.325 3.881 -1.864 1.00 0.00 C ATOM 0 H ALA A 317 -2.714 5.417 -2.324 1.00 0.00 H new ATOM 0 HA ALA A 317 -2.023 2.616 -1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 317 0.253 3.312 -1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -0.083 3.536 -2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.080 4.939 -1.775 1.00 0.00 H new ATOM 346 N PHE A 318 -2.134 3.239 0.787 1.00 0.00 N ATOM 347 CA PHE A 318 -2.507 3.603 2.154 1.00 0.00 C ATOM 348 C PHE A 318 -1.467 3.169 3.189 1.00 0.00 C ATOM 349 O PHE A 318 -0.838 2.124 3.062 1.00 0.00 O ATOM 350 CB PHE A 318 -3.866 2.986 2.495 1.00 0.00 C ATOM 351 CG PHE A 318 -5.015 3.572 1.731 1.00 0.00 C ATOM 352 CD1 PHE A 318 -5.188 3.277 0.396 1.00 0.00 C ATOM 353 CD2 PHE A 318 -5.927 4.408 2.352 1.00 0.00 C ATOM 354 CE1 PHE A 318 -6.246 3.800 -0.311 1.00 0.00 C ATOM 355 CE2 PHE A 318 -6.991 4.939 1.649 1.00 0.00 C ATOM 356 CZ PHE A 318 -7.151 4.634 0.315 1.00 0.00 C ATOM 0 H PHE A 318 -1.848 2.268 0.665 1.00 0.00 H new ATOM 0 HA PHE A 318 -2.562 4.691 2.195 1.00 0.00 H new ATOM 0 HB2 PHE A 318 -3.825 1.914 2.302 1.00 0.00 H new ATOM 0 HB3 PHE A 318 -4.052 3.111 3.562 1.00 0.00 H new ATOM 0 HD1 PHE A 318 -4.484 2.627 -0.102 1.00 0.00 H new ATOM 0 HD2 PHE A 318 -5.805 4.648 3.398 1.00 0.00 H new ATOM 0 HE1 PHE A 318 -6.369 3.558 -1.356 1.00 0.00 H new ATOM 0 HE2 PHE A 318 -7.695 5.591 2.144 1.00 0.00 H new ATOM 0 HZ PHE A 318 -7.981 5.046 -0.239 1.00 0.00 H new ATOM 366 N HIS A 319 -1.314 3.984 4.230 1.00 0.00 N ATOM 367 CA HIS A 319 -0.360 3.709 5.306 1.00 0.00 C ATOM 368 C HIS A 319 -0.907 2.691 6.300 1.00 0.00 C ATOM 369 O HIS A 319 -0.641 2.799 7.496 1.00 0.00 O ATOM 370 CB HIS A 319 -0.053 4.989 6.071 1.00 0.00 C ATOM 371 CG HIS A 319 1.127 5.750 5.586 1.00 0.00 C ATOM 372 ND1 HIS A 319 1.050 7.079 5.256 1.00 0.00 N ATOM 373 CD2 HIS A 319 2.416 5.385 5.411 1.00 0.00 C ATOM 374 CE1 HIS A 319 2.247 7.510 4.902 1.00 0.00 C ATOM 375 NE2 HIS A 319 3.096 6.500 4.988 1.00 0.00 N ATOM 0 H HIS A 319 -1.842 4.848 4.353 1.00 0.00 H new ATOM 0 HA HIS A 319 0.540 3.308 4.839 1.00 0.00 H new ATOM 0 HB2 HIS A 319 -0.927 5.638 6.026 1.00 0.00 H new ATOM 0 HB3 HIS A 319 0.103 4.737 7.120 1.00 0.00 H new ATOM 0 HD2 HIS A 319 2.833 4.402 5.573 1.00 0.00 H new ATOM 0 HE1 HIS A 319 2.491 8.516 4.595 1.00 0.00 H new ATOM 0 HE2 HIS A 319 4.093 6.542 4.775 1.00 0.00 H new ATOM 383 N LEU A 320 -1.678 1.723 5.817 1.00 0.00 N ATOM 384 CA LEU A 320 -2.247 0.701 6.691 1.00 0.00 C ATOM 385 C LEU A 320 -3.232 1.321 7.672 1.00 0.00 C ATOM 386 O LEU A 320 -4.445 1.230 7.496 1.00 0.00 O ATOM 387 CB LEU A 320 -1.143 -0.011 7.464 1.00 0.00 C ATOM 388 CG LEU A 320 -0.048 -0.675 6.624 1.00 0.00 C ATOM 389 CD1 LEU A 320 0.347 -1.988 7.247 1.00 0.00 C ATOM 390 CD2 LEU A 320 -0.501 -0.894 5.193 1.00 0.00 C ATOM 0 H LEU A 320 -1.923 1.624 4.832 1.00 0.00 H new ATOM 0 HA LEU A 320 -2.774 -0.021 6.067 1.00 0.00 H new ATOM 0 HB2 LEU A 320 -0.672 0.711 8.131 1.00 0.00 H new ATOM 0 HB3 LEU A 320 -1.602 -0.774 8.092 1.00 0.00 H new ATOM 0 HG LEU A 320 0.813 -0.007 6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 320 1.126 -2.456 6.646 1.00 0.00 H new ATOM 0 HD12 LEU A 320 0.722 -1.814 8.255 1.00 0.00 H new ATOM 0 HD13 LEU A 320 -0.521 -2.645 7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 320 0.301 -1.367 4.626 1.00 0.00 H new ATOM 0 HD22 LEU A 320 -1.380 -1.538 5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 320 -0.749 0.065 4.739 1.00 0.00 H new ATOM 402 N ALA A 321 -2.693 1.944 8.713 1.00 0.00 N ATOM 403 CA ALA A 321 -3.506 2.596 9.724 1.00 0.00 C ATOM 404 C ALA A 321 -4.151 3.856 9.163 1.00 0.00 C ATOM 405 O ALA A 321 -5.099 4.389 9.738 1.00 0.00 O ATOM 406 CB ALA A 321 -2.658 2.923 10.941 1.00 0.00 C ATOM 0 H ALA A 321 -1.688 2.010 8.877 1.00 0.00 H new ATOM 0 HA ALA A 321 -4.302 1.915 10.026 1.00 0.00 H new ATOM 0 HB1 ALA A 321 -3.276 3.412 11.694 1.00 0.00 H new ATOM 0 HB2 ALA A 321 -2.243 2.003 11.353 1.00 0.00 H new ATOM 0 HB3 ALA A 321 -1.846 3.589 10.650 1.00 0.00 H new ATOM 412 N CYS A 322 -3.625 4.325 8.033 1.00 0.00 N ATOM 413 CA CYS A 322 -4.167 5.521 7.382 1.00 0.00 C ATOM 414 C CYS A 322 -5.510 5.193 6.741 1.00 0.00 C ATOM 415 O CYS A 322 -6.186 6.061 6.188 1.00 0.00 O ATOM 416 CB CYS A 322 -3.197 6.062 6.325 1.00 0.00 C ATOM 417 SG CYS A 322 -2.097 7.399 6.929 1.00 0.00 S ATOM 0 H CYS A 322 -2.832 3.902 7.551 1.00 0.00 H new ATOM 0 HA CYS A 322 -4.305 6.293 8.139 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -2.583 5.240 5.957 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -3.772 6.435 5.477 1.00 0.00 H new ATOM 0 HG CYS A 322 -0.988 7.388 6.251 1.00 0.00 H new ATOM 422 N LEU A 323 -5.875 3.922 6.830 1.00 0.00 N ATOM 423 CA LEU A 323 -7.129 3.420 6.283 1.00 0.00 C ATOM 424 C LEU A 323 -8.259 3.560 7.288 1.00 0.00 C ATOM 425 O LEU A 323 -8.007 3.708 8.484 1.00 0.00 O ATOM 426 CB LEU A 323 -6.978 1.937 5.948 1.00 0.00 C ATOM 427 CG LEU A 323 -6.418 1.622 4.581 1.00 0.00 C ATOM 428 CD1 LEU A 323 -5.800 0.231 4.575 1.00 0.00 C ATOM 429 CD2 LEU A 323 -7.521 1.729 3.551 1.00 0.00 C ATOM 0 H LEU A 323 -5.308 3.207 7.285 1.00 0.00 H new ATOM 0 HA LEU A 323 -7.364 4.002 5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 323 -6.333 1.479 6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 323 -7.956 1.463 6.037 1.00 0.00 H new ATOM 0 HG LEU A 323 -5.635 2.338 4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 323 -5.400 0.015 3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 323 -4.995 0.187 5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 323 -6.562 -0.507 4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 323 -7.120 1.502 2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 323 -8.314 1.021 3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 323 -7.925 2.741 3.555 1.00 0.00 H new ATOM 441 N SER A 324 -9.506 3.523 6.814 1.00 0.00 N ATOM 442 CA SER A 324 -10.630 3.577 7.738 1.00 0.00 C ATOM 443 C SER A 324 -10.445 2.412 8.707 1.00 0.00 C ATOM 444 O SER A 324 -10.455 2.604 9.924 1.00 0.00 O ATOM 445 CB SER A 324 -11.985 3.525 7.016 1.00 0.00 C ATOM 446 OG SER A 324 -13.056 3.495 7.944 1.00 0.00 O ATOM 0 H SER A 324 -9.755 3.458 5.827 1.00 0.00 H new ATOM 0 HA SER A 324 -10.643 4.527 8.273 1.00 0.00 H new ATOM 0 HB2 SER A 324 -12.088 4.393 6.365 1.00 0.00 H new ATOM 0 HB3 SER A 324 -12.027 2.642 6.378 1.00 0.00 H new ATOM 0 HG SER A 324 -13.908 3.464 7.460 1.00 0.00 H new ATOM 452 N PRO A 325 -10.267 1.179 8.177 1.00 0.00 N ATOM 453 CA PRO A 325 -9.966 0.013 8.969 1.00 0.00 C ATOM 454 C PRO A 325 -8.479 -0.289 8.823 1.00 0.00 C ATOM 455 O PRO A 325 -7.994 -0.498 7.711 1.00 0.00 O ATOM 456 CB PRO A 325 -10.818 -1.058 8.311 1.00 0.00 C ATOM 457 CG PRO A 325 -10.973 -0.624 6.879 1.00 0.00 C ATOM 458 CD PRO A 325 -10.398 0.774 6.768 1.00 0.00 C ATOM 0 HA PRO A 325 -10.169 0.106 10.036 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -10.339 -2.035 8.375 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -11.787 -1.145 8.802 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -10.450 -1.309 6.211 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -12.023 -0.632 6.586 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -9.437 0.778 6.254 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -11.058 1.441 6.214 1.00 0.00 H new ATOM 466 N PRO A 326 -7.726 -0.328 9.923 1.00 0.00 N ATOM 467 CA PRO A 326 -6.287 -0.526 9.859 1.00 0.00 C ATOM 468 C PRO A 326 -5.864 -1.963 9.661 1.00 0.00 C ATOM 469 O PRO A 326 -6.415 -2.893 10.249 1.00 0.00 O ATOM 470 CB PRO A 326 -5.818 0.012 11.191 1.00 0.00 C ATOM 471 CG PRO A 326 -6.931 -0.311 12.124 1.00 0.00 C ATOM 472 CD PRO A 326 -8.206 -0.238 11.311 1.00 0.00 C ATOM 0 HA PRO A 326 -5.852 -0.026 8.994 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -4.886 -0.457 11.505 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -5.635 1.086 11.145 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -6.801 -1.304 12.554 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -6.959 0.395 12.954 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -8.886 -1.054 11.555 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -8.745 0.692 11.491 1.00 0.00 H new ATOM 480 N LEU A 327 -4.866 -2.110 8.809 1.00 0.00 N ATOM 481 CA LEU A 327 -4.308 -3.400 8.472 1.00 0.00 C ATOM 482 C LEU A 327 -3.230 -3.809 9.463 1.00 0.00 C ATOM 483 O LEU A 327 -2.038 -3.666 9.186 1.00 0.00 O ATOM 484 CB LEU A 327 -3.721 -3.336 7.070 1.00 0.00 C ATOM 485 CG LEU A 327 -4.625 -2.687 6.041 1.00 0.00 C ATOM 486 CD1 LEU A 327 -3.884 -2.456 4.751 1.00 0.00 C ATOM 487 CD2 LEU A 327 -5.841 -3.547 5.809 1.00 0.00 C ATOM 0 H LEU A 327 -4.419 -1.329 8.329 1.00 0.00 H new ATOM 0 HA LEU A 327 -5.102 -4.146 8.513 1.00 0.00 H new ATOM 0 HB2 LEU A 327 -2.781 -2.786 7.108 1.00 0.00 H new ATOM 0 HB3 LEU A 327 -3.485 -4.348 6.742 1.00 0.00 H new ATOM 0 HG LEU A 327 -4.948 -1.718 6.421 1.00 0.00 H new ATOM 0 HD11 LEU A 327 -4.551 -1.989 4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 327 -3.032 -1.801 4.933 1.00 0.00 H new ATOM 0 HD13 LEU A 327 -3.532 -3.410 4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 327 -6.486 -3.074 5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 327 -5.530 -4.527 5.446 1.00 0.00 H new ATOM 0 HD23 LEU A 327 -6.388 -3.663 6.745 1.00 0.00 H new ATOM 499 N ARG A 328 -3.650 -4.303 10.626 1.00 0.00 N ATOM 500 CA ARG A 328 -2.707 -4.759 11.642 1.00 0.00 C ATOM 501 C ARG A 328 -1.687 -5.688 11.005 1.00 0.00 C ATOM 502 O ARG A 328 -0.586 -5.891 11.517 1.00 0.00 O ATOM 503 CB ARG A 328 -3.442 -5.490 12.745 1.00 0.00 C ATOM 504 CG ARG A 328 -2.600 -5.704 13.990 1.00 0.00 C ATOM 505 CD ARG A 328 -1.805 -4.464 14.379 1.00 0.00 C ATOM 506 NE ARG A 328 -1.038 -4.668 15.605 1.00 0.00 N ATOM 507 CZ ARG A 328 0.101 -4.038 15.874 1.00 0.00 C ATOM 508 NH1 ARG A 328 0.606 -3.172 15.004 1.00 0.00 N ATOM 509 NH2 ARG A 328 0.737 -4.274 17.013 1.00 0.00 N ATOM 0 H ARG A 328 -4.632 -4.397 10.886 1.00 0.00 H new ATOM 0 HA ARG A 328 -2.198 -3.895 12.069 1.00 0.00 H new ATOM 0 HB2 ARG A 328 -4.336 -4.926 13.012 1.00 0.00 H new ATOM 0 HB3 ARG A 328 -3.776 -6.458 12.370 1.00 0.00 H new ATOM 0 HG2 ARG A 328 -3.248 -5.990 14.818 1.00 0.00 H new ATOM 0 HG3 ARG A 328 -1.913 -6.534 13.822 1.00 0.00 H new ATOM 0 HD2 ARG A 328 -1.127 -4.198 13.567 1.00 0.00 H new ATOM 0 HD3 ARG A 328 -2.486 -3.624 14.513 1.00 0.00 H new ATOM 0 HE ARG A 328 -1.396 -5.331 16.293 1.00 0.00 H new ATOM 0 HH11 ARG A 328 0.120 -2.989 14.126 1.00 0.00 H new ATOM 0 HH12 ARG A 328 1.480 -2.690 15.213 1.00 0.00 H new ATOM 0 HH21 ARG A 328 0.352 -4.939 17.684 1.00 0.00 H new ATOM 0 HH22 ARG A 328 1.611 -3.790 17.219 1.00 0.00 H new ATOM 523 N GLU A 329 -2.093 -6.244 9.876 1.00 0.00 N ATOM 524 CA GLU A 329 -1.269 -7.153 9.097 1.00 0.00 C ATOM 525 C GLU A 329 -1.784 -7.185 7.666 1.00 0.00 C ATOM 526 O GLU A 329 -2.919 -7.595 7.416 1.00 0.00 O ATOM 527 CB GLU A 329 -1.284 -8.556 9.707 1.00 0.00 C ATOM 528 CG GLU A 329 -2.677 -9.045 10.062 1.00 0.00 C ATOM 529 CD GLU A 329 -2.665 -10.399 10.744 1.00 0.00 C ATOM 530 OE1 GLU A 329 -2.600 -11.423 10.030 1.00 0.00 O ATOM 531 OE2 GLU A 329 -2.722 -10.437 11.992 1.00 0.00 O ATOM 0 H GLU A 329 -3.013 -6.075 9.470 1.00 0.00 H new ATOM 0 HA GLU A 329 -0.238 -6.801 9.104 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -0.830 -9.255 9.004 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -0.666 -8.560 10.605 1.00 0.00 H new ATOM 0 HG2 GLU A 329 -3.157 -8.317 10.716 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -3.279 -9.105 9.155 1.00 0.00 H new ATOM 538 N ILE A 330 -0.949 -6.737 6.736 1.00 0.00 N ATOM 539 CA ILE A 330 -1.309 -6.678 5.330 1.00 0.00 C ATOM 540 C ILE A 330 -2.125 -7.886 4.874 1.00 0.00 C ATOM 541 O ILE A 330 -1.803 -9.027 5.206 1.00 0.00 O ATOM 542 CB ILE A 330 -0.050 -6.541 4.474 1.00 0.00 C ATOM 543 CG1 ILE A 330 0.616 -5.210 4.808 1.00 0.00 C ATOM 544 CG2 ILE A 330 -0.379 -6.645 2.988 1.00 0.00 C ATOM 545 CD1 ILE A 330 -0.183 -4.007 4.394 1.00 0.00 C ATOM 0 H ILE A 330 -0.006 -6.406 6.938 1.00 0.00 H new ATOM 0 HA ILE A 330 -1.944 -5.801 5.201 1.00 0.00 H new ATOM 0 HB ILE A 330 0.638 -7.357 4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 330 0.793 -5.164 5.882 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.591 -5.171 4.322 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.536 -6.544 2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 330 -0.835 -7.614 2.783 1.00 0.00 H new ATOM 0 HG23 ILE A 330 -1.074 -5.852 2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 330 0.357 -3.100 4.666 1.00 0.00 H new ATOM 0 HD12 ILE A 330 -0.339 -4.027 3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -1.148 -4.020 4.900 1.00 0.00 H new ATOM 557 N PRO A 331 -3.200 -7.632 4.098 1.00 0.00 N ATOM 558 CA PRO A 331 -4.085 -8.678 3.576 1.00 0.00 C ATOM 559 C PRO A 331 -3.312 -9.885 3.054 1.00 0.00 C ATOM 560 O PRO A 331 -2.263 -9.737 2.424 1.00 0.00 O ATOM 561 CB PRO A 331 -4.802 -7.967 2.437 1.00 0.00 C ATOM 562 CG PRO A 331 -4.893 -6.558 2.900 1.00 0.00 C ATOM 563 CD PRO A 331 -3.634 -6.289 3.666 1.00 0.00 C ATOM 0 HA PRO A 331 -4.750 -9.083 4.339 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -4.246 -8.046 1.503 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -5.789 -8.394 2.257 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -4.988 -5.876 2.055 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -5.771 -6.411 3.529 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -2.881 -5.805 3.044 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -3.814 -5.632 4.517 1.00 0.00 H new ATOM 571 N SER A 332 -3.840 -11.078 3.319 1.00 0.00 N ATOM 572 CA SER A 332 -3.196 -12.316 2.890 1.00 0.00 C ATOM 573 C SER A 332 -3.247 -12.478 1.375 1.00 0.00 C ATOM 574 O SER A 332 -2.381 -13.122 0.782 1.00 0.00 O ATOM 575 CB SER A 332 -3.851 -13.513 3.565 1.00 0.00 C ATOM 576 OG SER A 332 -3.453 -14.727 2.954 1.00 0.00 O ATOM 0 H SER A 332 -4.713 -11.213 3.829 1.00 0.00 H new ATOM 0 HA SER A 332 -2.149 -12.264 3.187 1.00 0.00 H new ATOM 0 HB2 SER A 332 -3.583 -13.530 4.621 1.00 0.00 H new ATOM 0 HB3 SER A 332 -4.935 -13.415 3.513 1.00 0.00 H new ATOM 0 HG SER A 332 -3.887 -15.479 3.408 1.00 0.00 H new ATOM 582 N GLY A 333 -4.268 -11.898 0.754 1.00 0.00 N ATOM 583 CA GLY A 333 -4.411 -11.990 -0.687 1.00 0.00 C ATOM 584 C GLY A 333 -4.742 -10.654 -1.319 1.00 0.00 C ATOM 585 O GLY A 333 -4.037 -9.667 -1.105 1.00 0.00 O ATOM 0 H GLY A 333 -5.000 -11.365 1.224 1.00 0.00 H new ATOM 0 HA2 GLY A 333 -3.486 -12.374 -1.118 1.00 0.00 H new ATOM 0 HA3 GLY A 333 -5.196 -12.707 -0.927 1.00 0.00 H new ATOM 589 N THR A 334 -5.816 -10.621 -2.102 1.00 0.00 N ATOM 590 CA THR A 334 -6.241 -9.393 -2.762 1.00 0.00 C ATOM 591 C THR A 334 -6.690 -8.356 -1.739 1.00 0.00 C ATOM 592 O THR A 334 -6.938 -8.686 -0.579 1.00 0.00 O ATOM 593 CB THR A 334 -7.392 -9.656 -3.751 1.00 0.00 C ATOM 594 OG1 THR A 334 -8.512 -10.223 -3.060 1.00 0.00 O ATOM 595 CG2 THR A 334 -6.948 -10.596 -4.861 1.00 0.00 C ATOM 0 H THR A 334 -6.407 -11.430 -2.294 1.00 0.00 H new ATOM 0 HA THR A 334 -5.382 -9.012 -3.314 1.00 0.00 H new ATOM 0 HB THR A 334 -7.683 -8.705 -4.196 1.00 0.00 H new ATOM 0 HG1 THR A 334 -9.240 -10.386 -3.695 1.00 0.00 H new ATOM 0 HG21 THR A 334 -7.778 -10.767 -5.547 1.00 0.00 H new ATOM 0 HG22 THR A 334 -6.114 -10.150 -5.404 1.00 0.00 H new ATOM 0 HG23 THR A 334 -6.633 -11.546 -4.429 1.00 0.00 H new ATOM 603 N TRP A 335 -6.792 -7.104 -2.171 1.00 0.00 N ATOM 604 CA TRP A 335 -7.208 -6.027 -1.282 1.00 0.00 C ATOM 605 C TRP A 335 -7.850 -4.882 -2.057 1.00 0.00 C ATOM 606 O TRP A 335 -7.475 -4.597 -3.194 1.00 0.00 O ATOM 607 CB TRP A 335 -6.013 -5.496 -0.496 1.00 0.00 C ATOM 608 CG TRP A 335 -6.372 -4.394 0.450 1.00 0.00 C ATOM 609 CD1 TRP A 335 -6.910 -4.522 1.698 1.00 0.00 C ATOM 610 CD2 TRP A 335 -6.221 -2.991 0.218 1.00 0.00 C ATOM 611 NE1 TRP A 335 -7.088 -3.283 2.263 1.00 0.00 N ATOM 612 CE2 TRP A 335 -6.676 -2.329 1.370 1.00 0.00 C ATOM 613 CE3 TRP A 335 -5.739 -2.231 -0.851 1.00 0.00 C ATOM 614 CZ2 TRP A 335 -6.664 -0.945 1.484 1.00 0.00 C ATOM 615 CZ3 TRP A 335 -5.731 -0.854 -0.738 1.00 0.00 C ATOM 616 CH2 TRP A 335 -6.189 -0.224 0.424 1.00 0.00 C ATOM 0 H TRP A 335 -6.593 -6.811 -3.128 1.00 0.00 H new ATOM 0 HA TRP A 335 -7.947 -6.438 -0.594 1.00 0.00 H new ATOM 0 HB2 TRP A 335 -5.562 -6.315 0.065 1.00 0.00 H new ATOM 0 HB3 TRP A 335 -5.258 -5.135 -1.195 1.00 0.00 H new ATOM 0 HD1 TRP A 335 -7.159 -5.460 2.172 1.00 0.00 H new ATOM 0 HE1 TRP A 335 -7.465 -3.103 3.194 1.00 0.00 H new ATOM 0 HE3 TRP A 335 -5.379 -2.711 -1.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 -7.018 -0.455 2.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 -5.366 -0.255 -1.559 1.00 0.00 H new ATOM 0 HH2 TRP A 335 -6.167 0.854 0.485 1.00 0.00 H new ATOM 627 N ARG A 336 -8.822 -4.231 -1.427 1.00 0.00 N ATOM 628 CA ARG A 336 -9.513 -3.110 -2.028 1.00 0.00 C ATOM 629 C ARG A 336 -9.483 -1.905 -1.099 1.00 0.00 C ATOM 630 O ARG A 336 -9.333 -2.051 0.113 1.00 0.00 O ATOM 631 CB ARG A 336 -10.954 -3.489 -2.317 1.00 0.00 C ATOM 632 CG ARG A 336 -11.170 -4.048 -3.710 1.00 0.00 C ATOM 633 CD ARG A 336 -12.607 -4.486 -3.897 1.00 0.00 C ATOM 634 NE ARG A 336 -12.809 -5.172 -5.172 1.00 0.00 N ATOM 635 CZ ARG A 336 -13.831 -4.930 -5.988 1.00 0.00 C ATOM 636 NH1 ARG A 336 -14.745 -4.025 -5.664 1.00 0.00 N ATOM 637 NH2 ARG A 336 -13.939 -5.595 -7.130 1.00 0.00 N ATOM 0 H ARG A 336 -9.147 -4.469 -0.490 1.00 0.00 H new ATOM 0 HA ARG A 336 -9.009 -2.851 -2.959 1.00 0.00 H new ATOM 0 HB2 ARG A 336 -11.280 -4.227 -1.584 1.00 0.00 H new ATOM 0 HB3 ARG A 336 -11.585 -2.610 -2.186 1.00 0.00 H new ATOM 0 HG2 ARG A 336 -10.916 -3.292 -4.453 1.00 0.00 H new ATOM 0 HG3 ARG A 336 -10.503 -4.894 -3.875 1.00 0.00 H new ATOM 0 HD2 ARG A 336 -12.893 -5.148 -3.080 1.00 0.00 H new ATOM 0 HD3 ARG A 336 -13.261 -3.615 -3.846 1.00 0.00 H new ATOM 0 HE ARG A 336 -12.127 -5.877 -5.452 1.00 0.00 H new ATOM 0 HH11 ARG A 336 -14.666 -3.512 -4.786 1.00 0.00 H new ATOM 0 HH12 ARG A 336 -15.527 -3.842 -6.293 1.00 0.00 H new ATOM 0 HH21 ARG A 336 -13.238 -6.292 -7.383 1.00 0.00 H new ATOM 0 HH22 ARG A 336 -14.723 -5.410 -7.756 1.00 0.00 H new ATOM 651 N CYS A 337 -9.636 -0.716 -1.667 1.00 0.00 N ATOM 652 CA CYS A 337 -9.631 0.504 -0.869 1.00 0.00 C ATOM 653 C CYS A 337 -11.026 0.756 -0.310 1.00 0.00 C ATOM 654 O CYS A 337 -11.994 0.180 -0.793 1.00 0.00 O ATOM 655 CB CYS A 337 -9.150 1.697 -1.701 1.00 0.00 C ATOM 656 SG CYS A 337 -10.319 2.245 -2.983 1.00 0.00 S ATOM 0 H CYS A 337 -9.764 -0.570 -2.668 1.00 0.00 H new ATOM 0 HA CYS A 337 -8.936 0.381 -0.038 1.00 0.00 H new ATOM 0 HB2 CYS A 337 -8.948 2.533 -1.031 1.00 0.00 H new ATOM 0 HB3 CYS A 337 -8.205 1.434 -2.177 1.00 0.00 H new ATOM 0 HG CYS A 337 -10.757 1.213 -3.641 1.00 0.00 H new ATOM 661 N SER A 338 -11.120 1.607 0.711 1.00 0.00 N ATOM 662 CA SER A 338 -12.399 1.913 1.356 1.00 0.00 C ATOM 663 C SER A 338 -13.562 1.956 0.363 1.00 0.00 C ATOM 664 O SER A 338 -14.539 1.227 0.523 1.00 0.00 O ATOM 665 CB SER A 338 -12.312 3.240 2.106 1.00 0.00 C ATOM 666 OG SER A 338 -11.211 3.251 2.997 1.00 0.00 O ATOM 0 H SER A 338 -10.322 2.100 1.112 1.00 0.00 H new ATOM 0 HA SER A 338 -12.599 1.104 2.059 1.00 0.00 H new ATOM 0 HB2 SER A 338 -12.215 4.059 1.393 1.00 0.00 H new ATOM 0 HB3 SER A 338 -13.235 3.409 2.661 1.00 0.00 H new ATOM 0 HG SER A 338 -11.176 4.112 3.464 1.00 0.00 H new ATOM 672 N SER A 339 -13.463 2.808 -0.655 1.00 0.00 N ATOM 673 CA SER A 339 -14.521 2.928 -1.654 1.00 0.00 C ATOM 674 C SER A 339 -14.865 1.571 -2.268 1.00 0.00 C ATOM 675 O SER A 339 -16.037 1.199 -2.364 1.00 0.00 O ATOM 676 CB SER A 339 -14.109 3.911 -2.740 1.00 0.00 C ATOM 677 OG SER A 339 -12.904 3.514 -3.366 1.00 0.00 O ATOM 0 H SER A 339 -12.664 3.423 -0.809 1.00 0.00 H new ATOM 0 HA SER A 339 -15.414 3.303 -1.154 1.00 0.00 H new ATOM 0 HB2 SER A 339 -14.901 3.985 -3.485 1.00 0.00 H new ATOM 0 HB3 SER A 339 -13.986 4.904 -2.307 1.00 0.00 H new ATOM 0 HG SER A 339 -12.274 3.191 -2.688 1.00 0.00 H new ATOM 683 N CYS A 340 -13.836 0.833 -2.676 1.00 0.00 N ATOM 684 CA CYS A 340 -14.020 -0.476 -3.272 1.00 0.00 C ATOM 685 C CYS A 340 -14.552 -1.455 -2.238 1.00 0.00 C ATOM 686 O CYS A 340 -15.080 -2.516 -2.570 1.00 0.00 O ATOM 687 CB CYS A 340 -12.692 -0.986 -3.831 1.00 0.00 C ATOM 688 SG CYS A 340 -12.117 -0.110 -5.322 1.00 0.00 S ATOM 0 H CYS A 340 -12.862 1.127 -2.602 1.00 0.00 H new ATOM 0 HA CYS A 340 -14.743 -0.392 -4.084 1.00 0.00 H new ATOM 0 HB2 CYS A 340 -11.929 -0.900 -3.057 1.00 0.00 H new ATOM 0 HB3 CYS A 340 -12.793 -2.046 -4.063 1.00 0.00 H new ATOM 0 HG CYS A 340 -10.818 -0.122 -5.358 1.00 0.00 H new ATOM 693 N LEU A 341 -14.399 -1.077 -0.977 1.00 0.00 N ATOM 694 CA LEU A 341 -14.838 -1.891 0.140 1.00 0.00 C ATOM 695 C LEU A 341 -16.303 -1.642 0.461 1.00 0.00 C ATOM 696 O LEU A 341 -16.976 -2.490 1.046 1.00 0.00 O ATOM 697 CB LEU A 341 -13.955 -1.600 1.342 1.00 0.00 C ATOM 698 CG LEU A 341 -12.559 -2.199 1.233 1.00 0.00 C ATOM 699 CD1 LEU A 341 -11.637 -1.639 2.296 1.00 0.00 C ATOM 700 CD2 LEU A 341 -12.653 -3.707 1.324 1.00 0.00 C ATOM 0 H LEU A 341 -13.966 -0.195 -0.702 1.00 0.00 H new ATOM 0 HA LEU A 341 -14.746 -2.944 -0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 341 -13.869 -0.521 1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 341 -14.438 -1.987 2.239 1.00 0.00 H new ATOM 0 HG LEU A 341 -12.131 -1.929 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 341 -10.648 -2.086 2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 341 -11.561 -0.558 2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 341 -12.037 -1.870 3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 341 -11.655 -4.139 1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 341 -13.096 -3.987 2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 341 -13.275 -4.082 0.512 1.00 0.00 H new ATOM 803 N ALA B 1 -1.658 -8.252 0.163 1.00 0.00 N ATOM 804 CA ALA B 1 -2.005 -7.112 -0.728 1.00 0.00 C ATOM 805 C ALA B 1 -0.755 -6.434 -1.280 1.00 0.00 C ATOM 806 O ALA B 1 0.322 -6.515 -0.690 1.00 0.00 O ATOM 807 CB ALA B 1 -2.867 -6.101 0.015 1.00 0.00 C ATOM 0 H1 ALA B 1 -1.975 -9.142 -0.272 1.00 0.00 H new ATOM 0 H2 ALA B 1 -0.628 -8.283 0.302 1.00 0.00 H new ATOM 0 H3 ALA B 1 -2.128 -8.129 1.083 1.00 0.00 H new ATOM 0 HA ALA B 1 -2.570 -7.510 -1.571 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -3.112 -5.273 -0.650 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -3.786 -6.582 0.349 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -2.321 -5.722 0.879 1.00 0.00 H new ATOM 815 N ARG B 2 -0.914 -5.767 -2.420 1.00 0.00 N ATOM 816 CA ARG B 2 0.194 -5.073 -3.068 1.00 0.00 C ATOM 817 C ARG B 2 0.597 -3.832 -2.281 1.00 0.00 C ATOM 818 O ARG B 2 0.088 -2.742 -2.535 1.00 0.00 O ATOM 819 CB ARG B 2 -0.195 -4.662 -4.492 1.00 0.00 C ATOM 820 CG ARG B 2 -0.983 -5.718 -5.255 1.00 0.00 C ATOM 821 CD ARG B 2 -0.277 -7.065 -5.261 1.00 0.00 C ATOM 822 NE ARG B 2 -0.968 -8.038 -6.104 1.00 0.00 N ATOM 823 CZ ARG B 2 -2.212 -8.458 -5.884 1.00 0.00 C ATOM 824 NH1 ARG B 2 -2.898 -8.005 -4.841 1.00 0.00 N ATOM 825 NH2 ARG B 2 -2.771 -9.335 -6.706 1.00 0.00 N ATOM 0 H ARG B 2 -1.803 -5.693 -2.915 1.00 0.00 H new ATOM 0 HA ARG B 2 1.040 -5.759 -3.103 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -0.786 -3.747 -4.445 1.00 0.00 H new ATOM 0 HB3 ARG B 2 0.711 -4.427 -5.050 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -1.970 -5.828 -4.806 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -1.136 -5.385 -6.281 1.00 0.00 H new ATOM 0 HD2 ARG B 2 0.745 -6.938 -5.617 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -0.215 -7.447 -4.242 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.468 -8.418 -6.908 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -2.472 -7.332 -4.204 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.851 -8.330 -4.677 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -2.248 -9.688 -7.507 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -3.724 -9.657 -6.537 1.00 0.00 H new ATOM 839 N THR B 3 1.511 -3.996 -1.331 1.00 0.00 N ATOM 840 CA THR B 3 1.969 -2.871 -0.526 1.00 0.00 C ATOM 841 C THR B 3 3.449 -2.589 -0.778 1.00 0.00 C ATOM 842 O THR B 3 4.319 -3.375 -0.403 1.00 0.00 O ATOM 843 CB THR B 3 1.728 -3.105 0.981 1.00 0.00 C ATOM 844 OG1 THR B 3 2.817 -3.838 1.554 1.00 0.00 O ATOM 845 CG2 THR B 3 0.434 -3.869 1.205 1.00 0.00 C ATOM 0 H THR B 3 1.946 -4.889 -1.101 1.00 0.00 H new ATOM 0 HA THR B 3 1.384 -2.003 -0.830 1.00 0.00 H new ATOM 0 HB THR B 3 1.655 -2.131 1.465 1.00 0.00 H new ATOM 0 HG1 THR B 3 3.417 -4.143 0.842 1.00 0.00 H new ATOM 0 HG21 THR B 3 0.283 -4.023 2.273 1.00 0.00 H new ATOM 0 HG22 THR B 3 -0.401 -3.298 0.799 1.00 0.00 H new ATOM 0 HG23 THR B 3 0.490 -4.835 0.703 1.00 0.00 H new ATOM 853 N LYS B 4 3.722 -1.462 -1.429 1.00 0.00 N ATOM 854 CA LYS B 4 5.091 -1.066 -1.743 1.00 0.00 C ATOM 855 C LYS B 4 5.703 -0.277 -0.591 1.00 0.00 C ATOM 856 O LYS B 4 4.991 0.204 0.290 1.00 0.00 O ATOM 857 CB LYS B 4 5.112 -0.220 -3.020 1.00 0.00 C ATOM 858 CG LYS B 4 6.489 -0.102 -3.655 1.00 0.00 C ATOM 859 CD LYS B 4 6.678 1.244 -4.333 1.00 0.00 C ATOM 860 CE LYS B 4 8.035 1.340 -5.009 1.00 0.00 C ATOM 861 NZ LYS B 4 8.243 2.666 -5.654 1.00 0.00 N ATOM 0 H LYS B 4 3.011 -0.805 -1.750 1.00 0.00 H new ATOM 0 HA LYS B 4 5.682 -1.969 -1.898 1.00 0.00 H new ATOM 0 HB2 LYS B 4 4.424 -0.656 -3.745 1.00 0.00 H new ATOM 0 HB3 LYS B 4 4.742 0.779 -2.789 1.00 0.00 H new ATOM 0 HG2 LYS B 4 7.255 -0.236 -2.891 1.00 0.00 H new ATOM 0 HG3 LYS B 4 6.623 -0.900 -4.385 1.00 0.00 H new ATOM 0 HD2 LYS B 4 5.891 1.394 -5.072 1.00 0.00 H new ATOM 0 HD3 LYS B 4 6.580 2.041 -3.596 1.00 0.00 H new ATOM 0 HE2 LYS B 4 8.820 1.168 -4.273 1.00 0.00 H new ATOM 0 HE3 LYS B 4 8.123 0.554 -5.759 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 8.866 2.557 -6.479 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 7.327 3.050 -5.961 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 8.681 3.318 -4.973 1.00 0.00 H new ATOM 875 N GLN B 5 7.026 -0.148 -0.601 1.00 0.00 N ATOM 876 CA GLN B 5 7.732 0.588 0.441 1.00 0.00 C ATOM 877 C GLN B 5 8.398 1.834 -0.138 1.00 0.00 C ATOM 878 O GLN B 5 9.614 1.865 -0.336 1.00 0.00 O ATOM 879 CB GLN B 5 8.780 -0.305 1.111 1.00 0.00 C ATOM 880 CG GLN B 5 8.196 -1.553 1.753 1.00 0.00 C ATOM 881 CD GLN B 5 9.252 -2.417 2.415 1.00 0.00 C ATOM 882 OE1 GLN B 5 9.562 -2.245 3.593 1.00 0.00 O ATOM 883 NE2 GLN B 5 9.808 -3.354 1.657 1.00 0.00 N ATOM 0 H GLN B 5 7.631 -0.544 -1.320 1.00 0.00 H new ATOM 0 HA GLN B 5 7.005 0.899 1.191 1.00 0.00 H new ATOM 0 HB2 GLN B 5 9.521 -0.601 0.368 1.00 0.00 H new ATOM 0 HB3 GLN B 5 9.305 0.273 1.872 1.00 0.00 H new ATOM 0 HG2 GLN B 5 7.453 -1.261 2.495 1.00 0.00 H new ATOM 0 HG3 GLN B 5 7.676 -2.138 0.994 1.00 0.00 H new ATOM 0 HE21 GLN B 5 9.520 -3.461 0.684 1.00 0.00 H new ATOM 0 HE22 GLN B 5 10.524 -3.967 2.047 1.00 0.00 H new ATOM 892 N THR B 6 7.594 2.860 -0.407 1.00 0.00 N ATOM 893 CA THR B 6 8.106 4.106 -0.968 1.00 0.00 C ATOM 894 C THR B 6 8.837 4.921 0.092 1.00 0.00 C ATOM 895 O THR B 6 8.498 4.864 1.274 1.00 0.00 O ATOM 896 CB THR B 6 6.976 4.962 -1.576 1.00 0.00 C ATOM 897 OG1 THR B 6 7.531 6.083 -2.272 1.00 0.00 O ATOM 898 CG2 THR B 6 6.023 5.456 -0.495 1.00 0.00 C ATOM 0 H THR B 6 6.587 2.852 -0.246 1.00 0.00 H new ATOM 0 HA THR B 6 8.803 3.834 -1.760 1.00 0.00 H new ATOM 0 HB THR B 6 6.417 4.338 -2.274 1.00 0.00 H new ATOM 0 HG1 THR B 6 6.807 6.620 -2.656 1.00 0.00 H new ATOM 0 HG21 THR B 6 5.236 6.057 -0.951 1.00 0.00 H new ATOM 0 HG22 THR B 6 5.578 4.602 0.016 1.00 0.00 H new ATOM 0 HG23 THR B 6 6.572 6.063 0.225 1.00 0.00 H new