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 155:sc= 1.96 USER MOD Set 1.2: A 314 CYS SG : rot -43:sc= -0.859 USER MOD Set 1.3: A 337 CYS SG : rot -135:sc= 0.416 USER MOD Set 1.4: A 340 CYS SG : rot 142:sc= -0.172 USER MOD Set 2.1: A 299 CYS SG : rot 163:sc= -4.86! USER MOD Set 2.2: A 302 CYS SG : rot 131:sc= 0.0572 USER MOD Set 2.3: A 319 HIS : no HD1:sc= -0.111 K(o=-12,f=-15!) USER MOD Set 2.4: A 322 CYS SG : rot 148:sc= -7.25! USER MOD Set 3.1: A 295 ASN : amide:sc= -3.06! C(o=-3.9!,f=-10!) USER MOD Set 3.2: A 310 CYS SG : rot 36:sc= -0.848 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= 0.0102 USER MOD Single : A 338 SER OG : rot 180:sc= -0.0176 USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ -115:sc= 0.286 (180deg=-1.24) USER MOD Single : B 3 THR OG1 : rot -17:sc= 0.748! USER MOD Single : B 4 LYS NZ :NH3+ -132:sc= 0.389 (180deg=-0.637) USER MOD Single : B 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 THR OG1 : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N ASN A 295 1.187 1.512 -8.968 1.00 0.00 N ATOM 44 CA ASN A 295 0.325 2.594 -8.497 1.00 0.00 C ATOM 45 C ASN A 295 1.141 3.820 -8.102 1.00 0.00 C ATOM 46 O ASN A 295 2.372 3.794 -8.127 1.00 0.00 O ATOM 47 CB ASN A 295 -0.521 2.123 -7.310 1.00 0.00 C ATOM 48 CG ASN A 295 -1.599 1.134 -7.716 1.00 0.00 C ATOM 49 OD1 ASN A 295 -2.649 1.051 -7.080 1.00 0.00 O ATOM 50 ND2 ASN A 295 -1.348 0.375 -8.779 1.00 0.00 N ATOM 0 HA ASN A 295 -0.335 2.875 -9.317 1.00 0.00 H new ATOM 0 HB2 ASN A 295 0.129 1.661 -6.566 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -0.986 2.987 -6.835 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -2.039 -0.306 -9.094 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -0.465 0.474 -9.279 1.00 0.00 H new ATOM 57 N GLU A 296 0.446 4.895 -7.740 1.00 0.00 N ATOM 58 CA GLU A 296 1.106 6.132 -7.340 1.00 0.00 C ATOM 59 C GLU A 296 1.664 6.014 -5.926 1.00 0.00 C ATOM 60 O GLU A 296 0.910 5.885 -4.962 1.00 0.00 O ATOM 61 CB GLU A 296 0.131 7.309 -7.422 1.00 0.00 C ATOM 62 CG GLU A 296 -0.299 7.646 -8.837 1.00 0.00 C ATOM 63 CD GLU A 296 0.875 7.928 -9.753 1.00 0.00 C ATOM 64 OE1 GLU A 296 1.315 9.096 -9.812 1.00 0.00 O ATOM 65 OE2 GLU A 296 1.356 6.982 -10.412 1.00 0.00 O ATOM 0 H GLU A 296 -0.573 4.933 -7.716 1.00 0.00 H new ATOM 0 HA GLU A 296 1.934 6.311 -8.026 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -0.753 7.079 -6.828 1.00 0.00 H new ATOM 0 HB3 GLU A 296 0.596 8.187 -6.974 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -0.881 6.818 -9.243 1.00 0.00 H new ATOM 0 HG3 GLU A 296 -0.955 8.516 -8.816 1.00 0.00 H new ATOM 72 N ASP A 297 2.989 6.056 -5.813 1.00 0.00 N ATOM 73 CA ASP A 297 3.652 5.954 -4.517 1.00 0.00 C ATOM 74 C ASP A 297 3.311 7.159 -3.643 1.00 0.00 C ATOM 75 O ASP A 297 4.071 8.125 -3.581 1.00 0.00 O ATOM 76 CB ASP A 297 5.168 5.859 -4.701 1.00 0.00 C ATOM 77 CG ASP A 297 5.555 5.260 -6.040 1.00 0.00 C ATOM 78 OD1 ASP A 297 5.513 4.020 -6.172 1.00 0.00 O ATOM 79 OD2 ASP A 297 5.899 6.035 -6.957 1.00 0.00 O ATOM 0 H ASP A 297 3.625 6.160 -6.604 1.00 0.00 H new ATOM 0 HA ASP A 297 3.297 5.050 -4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 297 5.604 6.854 -4.612 1.00 0.00 H new ATOM 0 HB3 ASP A 297 5.591 5.253 -3.900 1.00 0.00 H new ATOM 84 N GLU A 298 2.166 7.091 -2.969 1.00 0.00 N ATOM 85 CA GLU A 298 1.717 8.180 -2.107 1.00 0.00 C ATOM 86 C GLU A 298 0.456 7.788 -1.339 1.00 0.00 C ATOM 87 O GLU A 298 -0.534 7.358 -1.932 1.00 0.00 O ATOM 88 CB GLU A 298 1.465 9.438 -2.946 1.00 0.00 C ATOM 89 CG GLU A 298 0.612 10.488 -2.256 1.00 0.00 C ATOM 90 CD GLU A 298 -0.822 10.489 -2.750 1.00 0.00 C ATOM 91 OE1 GLU A 298 -1.108 11.193 -3.742 1.00 0.00 O ATOM 92 OE2 GLU A 298 -1.661 9.787 -2.146 1.00 0.00 O ATOM 0 H GLU A 298 1.532 6.293 -3.003 1.00 0.00 H new ATOM 0 HA GLU A 298 2.500 8.389 -1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 298 2.424 9.882 -3.211 1.00 0.00 H new ATOM 0 HB3 GLU A 298 0.980 9.148 -3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 298 0.622 10.310 -1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 298 1.050 11.472 -2.420 1.00 0.00 H new ATOM 99 N CYS A 299 0.502 7.935 -0.017 1.00 0.00 N ATOM 100 CA CYS A 299 -0.639 7.602 0.831 1.00 0.00 C ATOM 101 C CYS A 299 -1.829 8.489 0.491 1.00 0.00 C ATOM 102 O CYS A 299 -1.730 9.713 0.511 1.00 0.00 O ATOM 103 CB CYS A 299 -0.266 7.755 2.308 1.00 0.00 C ATOM 104 SG CYS A 299 -1.686 7.817 3.456 1.00 0.00 S ATOM 0 H CYS A 299 1.316 8.282 0.489 1.00 0.00 H new ATOM 0 HA CYS A 299 -0.917 6.564 0.648 1.00 0.00 H new ATOM 0 HB2 CYS A 299 0.378 6.923 2.593 1.00 0.00 H new ATOM 0 HB3 CYS A 299 0.320 8.667 2.428 1.00 0.00 H new ATOM 0 HG CYS A 299 -1.274 7.594 4.669 1.00 0.00 H new ATOM 109 N ALA A 300 -2.957 7.863 0.181 1.00 0.00 N ATOM 110 CA ALA A 300 -4.165 8.594 -0.179 1.00 0.00 C ATOM 111 C ALA A 300 -4.715 9.404 0.995 1.00 0.00 C ATOM 112 O ALA A 300 -5.751 10.058 0.869 1.00 0.00 O ATOM 113 CB ALA A 300 -5.222 7.630 -0.704 1.00 0.00 C ATOM 0 H ALA A 300 -3.061 6.848 0.172 1.00 0.00 H new ATOM 0 HA ALA A 300 -3.902 9.302 -0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -6.121 8.186 -0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.839 7.115 -1.585 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.463 6.899 0.068 1.00 0.00 H new ATOM 119 N VAL A 301 -4.026 9.364 2.137 1.00 0.00 N ATOM 120 CA VAL A 301 -4.474 10.105 3.316 1.00 0.00 C ATOM 121 C VAL A 301 -3.449 11.156 3.772 1.00 0.00 C ATOM 122 O VAL A 301 -3.812 12.125 4.440 1.00 0.00 O ATOM 123 CB VAL A 301 -4.812 9.151 4.499 1.00 0.00 C ATOM 124 CG1 VAL A 301 -4.914 7.707 4.033 1.00 0.00 C ATOM 125 CG2 VAL A 301 -3.799 9.281 5.629 1.00 0.00 C ATOM 0 H VAL A 301 -3.165 8.833 2.270 1.00 0.00 H new ATOM 0 HA VAL A 301 -5.382 10.628 3.015 1.00 0.00 H new ATOM 0 HB VAL A 301 -5.786 9.451 4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 301 -5.151 7.066 4.882 1.00 0.00 H new ATOM 0 HG12 VAL A 301 -5.701 7.621 3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 301 -3.964 7.397 3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 301 -4.066 8.601 6.437 1.00 0.00 H new ATOM 0 HG22 VAL A 301 -2.805 9.030 5.258 1.00 0.00 H new ATOM 0 HG23 VAL A 301 -3.799 10.305 6.002 1.00 0.00 H new ATOM 135 N CYS A 302 -2.175 10.973 3.413 1.00 0.00 N ATOM 136 CA CYS A 302 -1.124 11.917 3.824 1.00 0.00 C ATOM 137 C CYS A 302 -0.533 12.676 2.645 1.00 0.00 C ATOM 138 O CYS A 302 0.001 13.772 2.815 1.00 0.00 O ATOM 139 CB CYS A 302 0.019 11.183 4.526 1.00 0.00 C ATOM 140 SG CYS A 302 -0.440 10.351 6.071 1.00 0.00 S ATOM 0 H CYS A 302 -1.846 10.191 2.846 1.00 0.00 H new ATOM 0 HA CYS A 302 -1.603 12.625 4.500 1.00 0.00 H new ATOM 0 HB2 CYS A 302 0.431 10.442 3.840 1.00 0.00 H new ATOM 0 HB3 CYS A 302 0.814 11.898 4.738 1.00 0.00 H new ATOM 0 HG CYS A 302 -0.004 9.126 6.051 1.00 0.00 H new ATOM 145 N ARG A 303 -0.618 12.082 1.459 1.00 0.00 N ATOM 146 CA ARG A 303 -0.056 12.678 0.251 1.00 0.00 C ATOM 147 C ARG A 303 1.467 12.609 0.309 1.00 0.00 C ATOM 148 O ARG A 303 2.163 13.194 -0.521 1.00 0.00 O ATOM 149 CB ARG A 303 -0.518 14.131 0.076 1.00 0.00 C ATOM 150 CG ARG A 303 -2.024 14.287 -0.041 1.00 0.00 C ATOM 151 CD ARG A 303 -2.549 13.608 -1.291 1.00 0.00 C ATOM 152 NE ARG A 303 -4.007 13.626 -1.359 1.00 0.00 N ATOM 153 CZ ARG A 303 -4.697 13.320 -2.454 1.00 0.00 C ATOM 154 NH1 ARG A 303 -4.063 12.982 -3.569 1.00 0.00 N ATOM 155 NH2 ARG A 303 -6.022 13.357 -2.435 1.00 0.00 N ATOM 0 H ARG A 303 -1.074 11.182 1.308 1.00 0.00 H new ATOM 0 HA ARG A 303 -0.414 12.113 -0.610 1.00 0.00 H new ATOM 0 HB2 ARG A 303 -0.166 14.719 0.924 1.00 0.00 H new ATOM 0 HB3 ARG A 303 -0.049 14.546 -0.816 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -2.506 13.860 0.838 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -2.282 15.346 -0.063 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -2.140 14.105 -2.171 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -2.199 12.576 -1.316 1.00 0.00 H new ATOM 0 HE ARG A 303 -4.525 13.888 -0.520 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -3.044 12.956 -3.588 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -4.595 12.748 -4.407 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -6.513 13.620 -1.580 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -6.551 13.122 -3.275 1.00 0.00 H new ATOM 169 N ASP A 304 1.974 11.879 1.304 1.00 0.00 N ATOM 170 CA ASP A 304 3.413 11.712 1.497 1.00 0.00 C ATOM 171 C ASP A 304 3.846 10.292 1.135 1.00 0.00 C ATOM 172 O ASP A 304 3.239 9.653 0.275 1.00 0.00 O ATOM 173 CB ASP A 304 3.787 12.022 2.949 1.00 0.00 C ATOM 174 CG ASP A 304 3.441 13.443 3.346 1.00 0.00 C ATOM 175 OD1 ASP A 304 4.203 14.364 2.982 1.00 0.00 O ATOM 176 OD2 ASP A 304 2.409 13.635 4.024 1.00 0.00 O ATOM 0 H ASP A 304 1.402 11.391 1.993 1.00 0.00 H new ATOM 0 HA ASP A 304 3.932 12.408 0.839 1.00 0.00 H new ATOM 0 HB2 ASP A 304 3.270 11.327 3.610 1.00 0.00 H new ATOM 0 HB3 ASP A 304 4.856 11.859 3.088 1.00 0.00 H new ATOM 181 N GLY A 305 4.895 9.800 1.794 1.00 0.00 N ATOM 182 CA GLY A 305 5.383 8.458 1.516 1.00 0.00 C ATOM 183 C GLY A 305 5.363 7.551 2.733 1.00 0.00 C ATOM 184 O GLY A 305 4.604 7.778 3.673 1.00 0.00 O ATOM 0 H GLY A 305 5.414 10.305 2.513 1.00 0.00 H new ATOM 0 HA2 GLY A 305 4.774 8.013 0.729 1.00 0.00 H new ATOM 0 HA3 GLY A 305 6.402 8.521 1.134 1.00 0.00 H new ATOM 188 N GLY A 306 6.211 6.523 2.712 1.00 0.00 N ATOM 189 CA GLY A 306 6.271 5.571 3.811 1.00 0.00 C ATOM 190 C GLY A 306 5.743 4.212 3.394 1.00 0.00 C ATOM 191 O GLY A 306 5.580 3.952 2.203 1.00 0.00 O ATOM 0 H GLY A 306 6.861 6.332 1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 306 7.301 5.473 4.154 1.00 0.00 H new ATOM 0 HA3 GLY A 306 5.689 5.947 4.652 1.00 0.00 H new ATOM 195 N GLU A 307 5.474 3.335 4.359 1.00 0.00 N ATOM 196 CA GLU A 307 4.952 2.017 4.039 1.00 0.00 C ATOM 197 C GLU A 307 3.482 2.131 3.662 1.00 0.00 C ATOM 198 O GLU A 307 2.643 2.461 4.501 1.00 0.00 O ATOM 199 CB GLU A 307 5.123 1.076 5.233 1.00 0.00 C ATOM 200 CG GLU A 307 4.650 -0.346 4.967 1.00 0.00 C ATOM 201 CD GLU A 307 5.430 -1.026 3.860 1.00 0.00 C ATOM 202 OE1 GLU A 307 6.581 -1.442 4.113 1.00 0.00 O ATOM 203 OE2 GLU A 307 4.892 -1.141 2.738 1.00 0.00 O ATOM 0 H GLU A 307 5.608 3.513 5.354 1.00 0.00 H new ATOM 0 HA GLU A 307 5.507 1.606 3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 307 6.175 1.052 5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 307 4.573 1.479 6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 307 4.741 -0.931 5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 307 3.593 -0.329 4.703 1.00 0.00 H new ATOM 210 N LEU A 308 3.170 1.856 2.399 1.00 0.00 N ATOM 211 CA LEU A 308 1.794 1.948 1.931 1.00 0.00 C ATOM 212 C LEU A 308 1.358 0.658 1.245 1.00 0.00 C ATOM 213 O LEU A 308 2.187 -0.124 0.781 1.00 0.00 O ATOM 214 CB LEU A 308 1.615 3.130 0.972 1.00 0.00 C ATOM 215 CG LEU A 308 2.682 4.216 1.039 1.00 0.00 C ATOM 216 CD1 LEU A 308 2.594 5.105 -0.190 1.00 0.00 C ATOM 217 CD2 LEU A 308 2.512 5.042 2.301 1.00 0.00 C ATOM 0 H LEU A 308 3.844 1.571 1.689 1.00 0.00 H new ATOM 0 HA LEU A 308 1.165 2.108 2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.583 2.743 -0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 308 0.646 3.588 1.170 1.00 0.00 H new ATOM 0 HG LEU A 308 3.665 3.745 1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 308 3.360 5.879 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 308 2.749 4.504 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 308 1.610 5.571 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 308 3.280 5.814 2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 308 1.527 5.510 2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 308 2.606 4.396 3.174 1.00 0.00 H new ATOM 229 N ILE A 309 0.047 0.454 1.187 1.00 0.00 N ATOM 230 CA ILE A 309 -0.533 -0.730 0.570 1.00 0.00 C ATOM 231 C ILE A 309 -1.290 -0.375 -0.702 1.00 0.00 C ATOM 232 O ILE A 309 -2.272 0.368 -0.671 1.00 0.00 O ATOM 233 CB ILE A 309 -1.481 -1.447 1.546 1.00 0.00 C ATOM 234 CG1 ILE A 309 -2.267 -2.552 0.840 1.00 0.00 C ATOM 235 CG2 ILE A 309 -2.426 -0.453 2.190 1.00 0.00 C ATOM 236 CD1 ILE A 309 -3.148 -3.349 1.776 1.00 0.00 C ATOM 0 H ILE A 309 -0.642 1.104 1.566 1.00 0.00 H new ATOM 0 HA ILE A 309 0.290 -1.398 0.314 1.00 0.00 H new ATOM 0 HB ILE A 309 -0.876 -1.911 2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 309 -2.885 -2.107 0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 309 -1.568 -3.227 0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 309 -3.090 -0.976 2.878 1.00 0.00 H new ATOM 0 HG22 ILE A 309 -1.851 0.293 2.738 1.00 0.00 H new ATOM 0 HG23 ILE A 309 -3.017 0.039 1.418 1.00 0.00 H new ATOM 0 HD11 ILE A 309 -3.678 -4.116 1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 309 -2.532 -3.821 2.541 1.00 0.00 H new ATOM 0 HD13 ILE A 309 -3.870 -2.684 2.251 1.00 0.00 H new ATOM 248 N CYS A 310 -0.830 -0.923 -1.818 1.00 0.00 N ATOM 249 CA CYS A 310 -1.448 -0.670 -3.113 1.00 0.00 C ATOM 250 C CYS A 310 -2.838 -1.285 -3.200 1.00 0.00 C ATOM 251 O CYS A 310 -3.074 -2.392 -2.718 1.00 0.00 O ATOM 252 CB CYS A 310 -0.566 -1.231 -4.220 1.00 0.00 C ATOM 253 SG CYS A 310 -1.381 -1.358 -5.827 1.00 0.00 S ATOM 0 H CYS A 310 -0.026 -1.550 -1.853 1.00 0.00 H new ATOM 0 HA CYS A 310 -1.551 0.409 -3.232 1.00 0.00 H new ATOM 0 HB2 CYS A 310 0.316 -0.598 -4.322 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -0.216 -2.220 -3.924 1.00 0.00 H new ATOM 0 HG CYS A 310 -2.184 -0.348 -5.987 1.00 0.00 H new ATOM 259 N CYS A 311 -3.754 -0.553 -3.826 1.00 0.00 N ATOM 260 CA CYS A 311 -5.124 -1.014 -3.994 1.00 0.00 C ATOM 261 C CYS A 311 -5.302 -1.714 -5.336 1.00 0.00 C ATOM 262 O CYS A 311 -4.853 -1.221 -6.371 1.00 0.00 O ATOM 263 CB CYS A 311 -6.094 0.162 -3.886 1.00 0.00 C ATOM 264 SG CYS A 311 -7.843 -0.312 -4.040 1.00 0.00 S ATOM 0 H CYS A 311 -3.569 0.367 -4.227 1.00 0.00 H new ATOM 0 HA CYS A 311 -5.341 -1.730 -3.201 1.00 0.00 H new ATOM 0 HB2 CYS A 311 -5.945 0.657 -2.926 1.00 0.00 H new ATOM 0 HB3 CYS A 311 -5.855 0.890 -4.661 1.00 0.00 H new ATOM 0 HG CYS A 311 -8.586 0.570 -3.440 1.00 0.00 H new ATOM 269 N ASP A 312 -5.961 -2.867 -5.308 1.00 0.00 N ATOM 270 CA ASP A 312 -6.203 -3.643 -6.519 1.00 0.00 C ATOM 271 C ASP A 312 -7.365 -3.054 -7.317 1.00 0.00 C ATOM 272 O ASP A 312 -7.723 -3.561 -8.380 1.00 0.00 O ATOM 273 CB ASP A 312 -6.500 -5.100 -6.153 1.00 0.00 C ATOM 274 CG ASP A 312 -6.694 -5.982 -7.371 1.00 0.00 C ATOM 275 OD1 ASP A 312 -5.680 -6.430 -7.946 1.00 0.00 O ATOM 276 OD2 ASP A 312 -7.859 -6.222 -7.750 1.00 0.00 O ATOM 0 H ASP A 312 -6.338 -3.286 -4.458 1.00 0.00 H new ATOM 0 HA ASP A 312 -5.308 -3.605 -7.140 1.00 0.00 H new ATOM 0 HB2 ASP A 312 -5.680 -5.493 -5.552 1.00 0.00 H new ATOM 0 HB3 ASP A 312 -7.397 -5.139 -5.535 1.00 0.00 H new ATOM 281 N GLY A 313 -7.943 -1.973 -6.799 1.00 0.00 N ATOM 282 CA GLY A 313 -9.060 -1.337 -7.470 1.00 0.00 C ATOM 283 C GLY A 313 -8.708 0.018 -8.055 1.00 0.00 C ATOM 284 O GLY A 313 -9.279 0.428 -9.066 1.00 0.00 O ATOM 0 H GLY A 313 -7.657 -1.528 -5.927 1.00 0.00 H new ATOM 0 HA2 GLY A 313 -9.417 -1.989 -8.267 1.00 0.00 H new ATOM 0 HA3 GLY A 313 -9.882 -1.219 -6.763 1.00 0.00 H new ATOM 288 N CYS A 314 -7.770 0.718 -7.422 1.00 0.00 N ATOM 289 CA CYS A 314 -7.358 2.036 -7.896 1.00 0.00 C ATOM 290 C CYS A 314 -5.867 2.277 -7.647 1.00 0.00 C ATOM 291 O CYS A 314 -5.241 1.565 -6.863 1.00 0.00 O ATOM 292 CB CYS A 314 -8.187 3.122 -7.207 1.00 0.00 C ATOM 293 SG CYS A 314 -7.935 3.224 -5.407 1.00 0.00 S ATOM 0 H CYS A 314 -7.284 0.397 -6.585 1.00 0.00 H new ATOM 0 HA CYS A 314 -7.530 2.077 -8.972 1.00 0.00 H new ATOM 0 HB2 CYS A 314 -7.943 4.087 -7.652 1.00 0.00 H new ATOM 0 HB3 CYS A 314 -9.243 2.938 -7.405 1.00 0.00 H new ATOM 0 HG CYS A 314 -7.900 2.025 -4.905 1.00 0.00 H new ATOM 298 N PRO A 315 -5.282 3.280 -8.338 1.00 0.00 N ATOM 299 CA PRO A 315 -3.858 3.637 -8.206 1.00 0.00 C ATOM 300 C PRO A 315 -3.519 4.325 -6.882 1.00 0.00 C ATOM 301 O PRO A 315 -2.765 5.299 -6.865 1.00 0.00 O ATOM 302 CB PRO A 315 -3.620 4.627 -9.357 1.00 0.00 C ATOM 303 CG PRO A 315 -4.821 4.524 -10.235 1.00 0.00 C ATOM 304 CD PRO A 315 -5.951 4.125 -9.338 1.00 0.00 C ATOM 0 HA PRO A 315 -3.238 2.741 -8.234 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -3.497 5.642 -8.980 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -2.712 4.378 -9.906 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -5.029 5.475 -10.726 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -4.667 3.786 -11.022 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -6.432 4.990 -8.882 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -6.724 3.579 -9.878 1.00 0.00 H new ATOM 312 N ARG A 316 -4.056 3.819 -5.776 1.00 0.00 N ATOM 313 CA ARG A 316 -3.799 4.417 -4.470 1.00 0.00 C ATOM 314 C ARG A 316 -2.976 3.504 -3.568 1.00 0.00 C ATOM 315 O ARG A 316 -2.729 2.341 -3.885 1.00 0.00 O ATOM 316 CB ARG A 316 -5.115 4.764 -3.781 1.00 0.00 C ATOM 317 CG ARG A 316 -5.808 5.975 -4.378 1.00 0.00 C ATOM 318 CD ARG A 316 -7.144 6.230 -3.701 1.00 0.00 C ATOM 319 NE ARG A 316 -7.763 7.470 -4.159 1.00 0.00 N ATOM 320 CZ ARG A 316 -9.077 7.655 -4.239 1.00 0.00 C ATOM 321 NH1 ARG A 316 -9.910 6.681 -3.894 1.00 0.00 N ATOM 322 NH2 ARG A 316 -9.561 8.814 -4.665 1.00 0.00 N ATOM 0 H ARG A 316 -4.667 3.003 -5.757 1.00 0.00 H new ATOM 0 HA ARG A 316 -3.220 5.324 -4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -5.785 3.906 -3.840 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -4.925 4.948 -2.724 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -5.170 6.852 -4.272 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -5.962 5.820 -5.446 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -7.816 5.395 -3.899 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -7.000 6.274 -2.621 1.00 0.00 H new ATOM 0 HE ARG A 316 -7.152 8.239 -4.434 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -9.542 5.788 -3.566 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -10.918 6.826 -3.956 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -8.925 9.565 -4.932 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -10.570 8.954 -4.726 1.00 0.00 H new ATOM 336 N ALA A 317 -2.560 4.065 -2.439 1.00 0.00 N ATOM 337 CA ALA A 317 -1.769 3.353 -1.445 1.00 0.00 C ATOM 338 C ALA A 317 -2.106 3.895 -0.054 1.00 0.00 C ATOM 339 O ALA A 317 -2.312 5.098 0.100 1.00 0.00 O ATOM 340 CB ALA A 317 -0.288 3.520 -1.744 1.00 0.00 C ATOM 0 H ALA A 317 -2.764 5.032 -2.187 1.00 0.00 H new ATOM 0 HA ALA A 317 -2.004 2.289 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 317 0.297 2.985 -0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -0.069 3.117 -2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.029 4.578 -1.718 1.00 0.00 H new ATOM 346 N PHE A 318 -2.176 3.030 0.955 1.00 0.00 N ATOM 347 CA PHE A 318 -2.518 3.485 2.307 1.00 0.00 C ATOM 348 C PHE A 318 -1.492 3.063 3.356 1.00 0.00 C ATOM 349 O PHE A 318 -0.865 2.015 3.254 1.00 0.00 O ATOM 350 CB PHE A 318 -3.904 2.967 2.698 1.00 0.00 C ATOM 351 CG PHE A 318 -5.023 3.682 2.012 1.00 0.00 C ATOM 352 CD1 PHE A 318 -5.350 3.363 0.714 1.00 0.00 C ATOM 353 CD2 PHE A 318 -5.749 4.665 2.664 1.00 0.00 C ATOM 354 CE1 PHE A 318 -6.382 4.005 0.067 1.00 0.00 C ATOM 355 CE2 PHE A 318 -6.786 5.317 2.024 1.00 0.00 C ATOM 356 CZ PHE A 318 -7.103 4.985 0.721 1.00 0.00 C ATOM 0 H PHE A 318 -2.005 2.028 0.870 1.00 0.00 H new ATOM 0 HA PHE A 318 -2.517 4.575 2.282 1.00 0.00 H new ATOM 0 HB2 PHE A 318 -3.965 1.904 2.464 1.00 0.00 H new ATOM 0 HB3 PHE A 318 -4.028 3.064 3.777 1.00 0.00 H new ATOM 0 HD1 PHE A 318 -4.790 2.599 0.196 1.00 0.00 H new ATOM 0 HD2 PHE A 318 -5.502 4.925 3.683 1.00 0.00 H new ATOM 0 HE1 PHE A 318 -6.628 3.742 -0.951 1.00 0.00 H new ATOM 0 HE2 PHE A 318 -7.346 6.083 2.540 1.00 0.00 H new ATOM 0 HZ PHE A 318 -7.912 5.490 0.215 1.00 0.00 H new ATOM 366 N HIS A 319 -1.347 3.900 4.380 1.00 0.00 N ATOM 367 CA HIS A 319 -0.409 3.649 5.474 1.00 0.00 C ATOM 368 C HIS A 319 -0.939 2.597 6.438 1.00 0.00 C ATOM 369 O HIS A 319 -0.697 2.690 7.641 1.00 0.00 O ATOM 370 CB HIS A 319 -0.189 4.929 6.264 1.00 0.00 C ATOM 371 CG HIS A 319 1.007 5.735 5.873 1.00 0.00 C ATOM 372 ND1 HIS A 319 0.914 7.080 5.641 1.00 0.00 N ATOM 373 CD2 HIS A 319 2.311 5.411 5.721 1.00 0.00 C ATOM 374 CE1 HIS A 319 2.111 7.567 5.370 1.00 0.00 C ATOM 375 NE2 HIS A 319 2.978 6.571 5.412 1.00 0.00 N ATOM 0 H HIS A 319 -1.873 4.768 4.476 1.00 0.00 H new ATOM 0 HA HIS A 319 0.520 3.294 5.028 1.00 0.00 H new ATOM 0 HB2 HIS A 319 -1.075 5.555 6.161 1.00 0.00 H new ATOM 0 HB3 HIS A 319 -0.102 4.672 7.320 1.00 0.00 H new ATOM 0 HD2 HIS A 319 2.745 4.427 5.823 1.00 0.00 H new ATOM 0 HE1 HIS A 319 2.341 8.599 5.152 1.00 0.00 H new ATOM 0 HE2 HIS A 319 3.981 6.651 5.242 1.00 0.00 H new ATOM 383 N LEU A 320 -1.678 1.619 5.927 1.00 0.00 N ATOM 384 CA LEU A 320 -2.225 0.565 6.773 1.00 0.00 C ATOM 385 C LEU A 320 -3.233 1.134 7.760 1.00 0.00 C ATOM 386 O LEU A 320 -4.442 1.005 7.578 1.00 0.00 O ATOM 387 CB LEU A 320 -1.100 -0.131 7.527 1.00 0.00 C ATOM 388 CG LEU A 320 0.013 -0.711 6.654 1.00 0.00 C ATOM 389 CD1 LEU A 320 0.553 -1.972 7.269 1.00 0.00 C ATOM 390 CD2 LEU A 320 -0.492 -0.989 5.252 1.00 0.00 C ATOM 0 H LEU A 320 -1.911 1.534 4.938 1.00 0.00 H new ATOM 0 HA LEU A 320 -2.735 -0.158 6.136 1.00 0.00 H new ATOM 0 HB2 LEU A 320 -0.658 0.581 8.224 1.00 0.00 H new ATOM 0 HB3 LEU A 320 -1.529 -0.937 8.123 1.00 0.00 H new ATOM 0 HG LEU A 320 0.815 0.024 6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 320 1.345 -2.375 6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 320 0.955 -1.751 8.258 1.00 0.00 H new ATOM 0 HD13 LEU A 320 -0.248 -2.705 7.358 1.00 0.00 H new ATOM 0 HD21 LEU A 320 0.317 -1.401 4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 320 -1.313 -1.705 5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 320 -0.844 -0.061 4.801 1.00 0.00 H new ATOM 402 N ALA A 321 -2.717 1.761 8.811 1.00 0.00 N ATOM 403 CA ALA A 321 -3.551 2.369 9.829 1.00 0.00 C ATOM 404 C ALA A 321 -4.229 3.625 9.298 1.00 0.00 C ATOM 405 O ALA A 321 -5.179 4.127 9.899 1.00 0.00 O ATOM 406 CB ALA A 321 -2.717 2.689 11.057 1.00 0.00 C ATOM 0 H ALA A 321 -1.715 1.859 8.977 1.00 0.00 H new ATOM 0 HA ALA A 321 -4.332 1.661 10.107 1.00 0.00 H new ATOM 0 HB1 ALA A 321 -3.350 3.146 11.818 1.00 0.00 H new ATOM 0 HB2 ALA A 321 -2.282 1.771 11.451 1.00 0.00 H new ATOM 0 HB3 ALA A 321 -1.920 3.381 10.785 1.00 0.00 H new ATOM 412 N CYS A 322 -3.739 4.133 8.164 1.00 0.00 N ATOM 413 CA CYS A 322 -4.333 5.336 7.562 1.00 0.00 C ATOM 414 C CYS A 322 -5.667 4.993 6.922 1.00 0.00 C ATOM 415 O CYS A 322 -6.361 5.854 6.380 1.00 0.00 O ATOM 416 CB CYS A 322 -3.399 5.977 6.530 1.00 0.00 C ATOM 417 SG CYS A 322 -2.235 7.173 7.257 1.00 0.00 S ATOM 0 H CYS A 322 -2.949 3.742 7.651 1.00 0.00 H new ATOM 0 HA CYS A 322 -4.490 6.063 8.359 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -2.835 5.193 6.024 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -3.998 6.479 5.771 1.00 0.00 H new ATOM 0 HG CYS A 322 -1.124 7.163 6.582 1.00 0.00 H new ATOM 422 N LEU A 323 -6.007 3.719 6.997 1.00 0.00 N ATOM 423 CA LEU A 323 -7.254 3.205 6.454 1.00 0.00 C ATOM 424 C LEU A 323 -8.373 3.308 7.479 1.00 0.00 C ATOM 425 O LEU A 323 -8.101 3.329 8.680 1.00 0.00 O ATOM 426 CB LEU A 323 -7.062 1.738 6.077 1.00 0.00 C ATOM 427 CG LEU A 323 -6.454 1.496 4.712 1.00 0.00 C ATOM 428 CD1 LEU A 323 -5.878 0.093 4.641 1.00 0.00 C ATOM 429 CD2 LEU A 323 -7.502 1.714 3.641 1.00 0.00 C ATOM 0 H LEU A 323 -5.424 3.008 7.438 1.00 0.00 H new ATOM 0 HA LEU A 323 -7.525 3.795 5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 323 -6.428 1.267 6.828 1.00 0.00 H new ATOM 0 HB3 LEU A 323 -8.030 1.239 6.119 1.00 0.00 H new ATOM 0 HG LEU A 323 -5.641 2.202 4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 323 -5.443 -0.072 3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 323 -5.107 -0.023 5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 323 -6.671 -0.635 4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 323 -7.061 1.539 2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 323 -8.330 1.022 3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 323 -7.871 2.738 3.696 1.00 0.00 H new ATOM 441 N SER A 324 -9.627 3.388 7.021 1.00 0.00 N ATOM 442 CA SER A 324 -10.740 3.434 7.967 1.00 0.00 C ATOM 443 C SER A 324 -10.533 2.283 8.945 1.00 0.00 C ATOM 444 O SER A 324 -10.529 2.488 10.159 1.00 0.00 O ATOM 445 CB SER A 324 -12.106 3.365 7.267 1.00 0.00 C ATOM 446 OG SER A 324 -13.161 3.324 8.212 1.00 0.00 O ATOM 0 H SER A 324 -9.889 3.421 6.036 1.00 0.00 H new ATOM 0 HA SER A 324 -10.750 4.387 8.496 1.00 0.00 H new ATOM 0 HB2 SER A 324 -12.229 4.231 6.617 1.00 0.00 H new ATOM 0 HB3 SER A 324 -12.148 2.481 6.631 1.00 0.00 H new ATOM 0 HG SER A 324 -14.020 3.282 7.742 1.00 0.00 H new ATOM 452 N PRO A 325 -10.354 1.045 8.426 1.00 0.00 N ATOM 453 CA PRO A 325 -10.028 -0.105 9.229 1.00 0.00 C ATOM 454 C PRO A 325 -8.538 -0.381 9.067 1.00 0.00 C ATOM 455 O PRO A 325 -8.062 -0.578 7.948 1.00 0.00 O ATOM 456 CB PRO A 325 -10.869 -1.197 8.594 1.00 0.00 C ATOM 457 CG PRO A 325 -11.018 -0.795 7.152 1.00 0.00 C ATOM 458 CD PRO A 325 -10.507 0.626 7.024 1.00 0.00 C ATOM 0 HA PRO A 325 -10.222 -0.004 10.297 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -10.384 -2.169 8.683 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -11.840 -1.279 9.082 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -10.452 -1.466 6.506 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -12.061 -0.858 6.842 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -9.561 0.669 6.484 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -11.210 1.262 6.486 1.00 0.00 H new ATOM 466 N PRO A 326 -7.774 -0.410 10.157 1.00 0.00 N ATOM 467 CA PRO A 326 -6.333 -0.582 10.074 1.00 0.00 C ATOM 468 C PRO A 326 -5.897 -2.014 9.854 1.00 0.00 C ATOM 469 O PRO A 326 -6.411 -2.950 10.468 1.00 0.00 O ATOM 470 CB PRO A 326 -5.858 -0.058 11.409 1.00 0.00 C ATOM 471 CG PRO A 326 -6.956 -0.410 12.347 1.00 0.00 C ATOM 472 CD PRO A 326 -8.240 -0.334 11.550 1.00 0.00 C ATOM 0 HA PRO A 326 -5.912 -0.061 9.214 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -4.916 -0.519 11.706 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -5.690 1.018 11.378 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -6.812 -1.410 12.756 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -6.982 0.279 13.191 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -8.915 -1.154 11.794 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -8.781 0.592 11.744 1.00 0.00 H new ATOM 480 N LEU A 327 -4.934 -2.155 8.962 1.00 0.00 N ATOM 481 CA LEU A 327 -4.381 -3.443 8.610 1.00 0.00 C ATOM 482 C LEU A 327 -3.327 -3.883 9.612 1.00 0.00 C ATOM 483 O LEU A 327 -2.129 -3.745 9.364 1.00 0.00 O ATOM 484 CB LEU A 327 -3.771 -3.370 7.217 1.00 0.00 C ATOM 485 CG LEU A 327 -4.660 -2.708 6.180 1.00 0.00 C ATOM 486 CD1 LEU A 327 -3.916 -2.512 4.883 1.00 0.00 C ATOM 487 CD2 LEU A 327 -5.898 -3.540 5.960 1.00 0.00 C ATOM 0 H LEU A 327 -4.513 -1.373 8.460 1.00 0.00 H new ATOM 0 HA LEU A 327 -5.186 -4.178 8.623 1.00 0.00 H new ATOM 0 HB2 LEU A 327 -2.830 -2.824 7.274 1.00 0.00 H new ATOM 0 HB3 LEU A 327 -3.534 -4.380 6.884 1.00 0.00 H new ATOM 0 HG LEU A 327 -4.955 -1.726 6.549 1.00 0.00 H new ATOM 0 HD11 LEU A 327 -4.573 -2.036 4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 327 -3.046 -1.879 5.055 1.00 0.00 H new ATOM 0 HD13 LEU A 327 -3.591 -3.479 4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 327 -6.532 -3.059 5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 327 -5.612 -4.531 5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 327 -6.446 -3.632 6.898 1.00 0.00 H new ATOM 499 N ARG A 328 -3.778 -4.395 10.753 1.00 0.00 N ATOM 500 CA ARG A 328 -2.864 -4.887 11.779 1.00 0.00 C ATOM 501 C ARG A 328 -1.860 -5.828 11.136 1.00 0.00 C ATOM 502 O ARG A 328 -0.769 -6.065 11.653 1.00 0.00 O ATOM 503 CB ARG A 328 -3.641 -5.622 12.857 1.00 0.00 C ATOM 504 CG ARG A 328 -4.645 -4.751 13.572 1.00 0.00 C ATOM 505 CD ARG A 328 -5.421 -5.539 14.603 1.00 0.00 C ATOM 506 NE ARG A 328 -4.642 -5.776 15.814 1.00 0.00 N ATOM 507 CZ ARG A 328 -5.163 -6.230 16.951 1.00 0.00 C ATOM 508 NH1 ARG A 328 -6.462 -6.492 17.030 1.00 0.00 N ATOM 509 NH2 ARG A 328 -4.387 -6.422 18.008 1.00 0.00 N ATOM 0 H ARG A 328 -4.766 -4.480 10.990 1.00 0.00 H new ATOM 0 HA ARG A 328 -2.341 -4.047 12.236 1.00 0.00 H new ATOM 0 HB2 ARG A 328 -4.160 -6.468 12.407 1.00 0.00 H new ATOM 0 HB3 ARG A 328 -2.940 -6.029 13.586 1.00 0.00 H new ATOM 0 HG2 ARG A 328 -4.130 -3.922 14.057 1.00 0.00 H new ATOM 0 HG3 ARG A 328 -5.335 -4.318 12.848 1.00 0.00 H new ATOM 0 HD2 ARG A 328 -6.333 -5.000 14.859 1.00 0.00 H new ATOM 0 HD3 ARG A 328 -5.725 -6.494 14.175 1.00 0.00 H new ATOM 0 HE ARG A 328 -3.641 -5.583 15.787 1.00 0.00 H new ATOM 0 HH11 ARG A 328 -7.062 -6.345 16.218 1.00 0.00 H new ATOM 0 HH12 ARG A 328 -6.860 -6.840 17.902 1.00 0.00 H new ATOM 0 HH21 ARG A 328 -3.389 -6.222 17.951 1.00 0.00 H new ATOM 0 HH22 ARG A 328 -4.788 -6.770 18.879 1.00 0.00 H new ATOM 523 N GLU A 329 -2.268 -6.351 9.989 1.00 0.00 N ATOM 524 CA GLU A 329 -1.457 -7.261 9.203 1.00 0.00 C ATOM 525 C GLU A 329 -1.974 -7.278 7.773 1.00 0.00 C ATOM 526 O GLU A 329 -3.111 -7.671 7.512 1.00 0.00 O ATOM 527 CB GLU A 329 -1.474 -8.668 9.804 1.00 0.00 C ATOM 528 CG GLU A 329 -2.867 -9.158 10.156 1.00 0.00 C ATOM 529 CD GLU A 329 -2.852 -10.495 10.871 1.00 0.00 C ATOM 530 OE1 GLU A 329 -2.905 -11.537 10.183 1.00 0.00 O ATOM 531 OE2 GLU A 329 -2.791 -10.501 12.118 1.00 0.00 O ATOM 0 H GLU A 329 -3.180 -6.152 9.577 1.00 0.00 H new ATOM 0 HA GLU A 329 -0.423 -6.916 9.209 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -1.021 -9.362 9.096 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -0.856 -8.679 10.702 1.00 0.00 H new ATOM 0 HG2 GLU A 329 -3.360 -8.418 10.787 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -3.459 -9.244 9.245 1.00 0.00 H new ATOM 538 N ILE A 330 -1.124 -6.834 6.861 1.00 0.00 N ATOM 539 CA ILE A 330 -1.464 -6.738 5.450 1.00 0.00 C ATOM 540 C ILE A 330 -2.299 -7.913 4.936 1.00 0.00 C ATOM 541 O ILE A 330 -2.015 -9.076 5.222 1.00 0.00 O ATOM 542 CB ILE A 330 -0.189 -6.563 4.602 1.00 0.00 C ATOM 543 CG1 ILE A 330 0.404 -5.177 4.873 1.00 0.00 C ATOM 544 CG2 ILE A 330 -0.487 -6.746 3.119 1.00 0.00 C ATOM 545 CD1 ILE A 330 -0.603 -4.064 4.744 1.00 0.00 C ATOM 0 H ILE A 330 -0.175 -6.529 7.079 1.00 0.00 H new ATOM 0 HA ILE A 330 -2.095 -5.856 5.347 1.00 0.00 H new ATOM 0 HB ILE A 330 0.535 -7.328 4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 330 0.827 -5.160 5.877 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.225 -4.998 4.178 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.431 -6.617 2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 330 -0.884 -7.747 2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 330 -1.221 -6.005 2.801 1.00 0.00 H new ATOM 0 HD11 ILE A 330 -0.118 -3.109 4.948 1.00 0.00 H new ATOM 0 HD12 ILE A 330 -1.009 -4.056 3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -1.412 -4.221 5.458 1.00 0.00 H new ATOM 557 N PRO A 331 -3.356 -7.582 4.163 1.00 0.00 N ATOM 558 CA PRO A 331 -4.283 -8.555 3.568 1.00 0.00 C ATOM 559 C PRO A 331 -3.583 -9.760 2.951 1.00 0.00 C ATOM 560 O PRO A 331 -2.400 -9.700 2.614 1.00 0.00 O ATOM 561 CB PRO A 331 -4.963 -7.740 2.475 1.00 0.00 C ATOM 562 CG PRO A 331 -4.983 -6.357 3.013 1.00 0.00 C ATOM 563 CD PRO A 331 -3.729 -6.198 3.809 1.00 0.00 C ATOM 0 HA PRO A 331 -4.954 -8.978 4.316 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -4.412 -7.794 1.536 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -5.971 -8.104 2.275 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -5.026 -5.626 2.205 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -5.862 -6.195 3.636 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -2.946 -5.709 3.229 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -3.894 -5.589 4.698 1.00 0.00 H new ATOM 571 N SER A 332 -4.332 -10.847 2.789 1.00 0.00 N ATOM 572 CA SER A 332 -3.793 -12.070 2.204 1.00 0.00 C ATOM 573 C SER A 332 -4.070 -12.113 0.706 1.00 0.00 C ATOM 574 O SER A 332 -5.157 -12.500 0.276 1.00 0.00 O ATOM 575 CB SER A 332 -4.397 -13.294 2.880 1.00 0.00 C ATOM 576 OG SER A 332 -4.439 -13.133 4.288 1.00 0.00 O ATOM 0 H SER A 332 -5.315 -10.905 3.055 1.00 0.00 H new ATOM 0 HA SER A 332 -2.714 -12.077 2.361 1.00 0.00 H new ATOM 0 HB2 SER A 332 -5.405 -13.462 2.500 1.00 0.00 H new ATOM 0 HB3 SER A 332 -3.810 -14.178 2.630 1.00 0.00 H new ATOM 0 HG SER A 332 -4.833 -13.932 4.697 1.00 0.00 H new ATOM 582 N GLY A 333 -3.081 -11.711 -0.085 1.00 0.00 N ATOM 583 CA GLY A 333 -3.242 -11.702 -1.528 1.00 0.00 C ATOM 584 C GLY A 333 -3.679 -10.344 -2.042 1.00 0.00 C ATOM 585 O GLY A 333 -2.912 -9.383 -1.997 1.00 0.00 O ATOM 0 H GLY A 333 -2.171 -11.391 0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 333 -2.300 -11.982 -2.000 1.00 0.00 H new ATOM 0 HA3 GLY A 333 -3.978 -12.453 -1.815 1.00 0.00 H new ATOM 589 N THR A 334 -4.916 -10.268 -2.527 1.00 0.00 N ATOM 590 CA THR A 334 -5.462 -9.017 -3.046 1.00 0.00 C ATOM 591 C THR A 334 -6.000 -8.146 -1.911 1.00 0.00 C ATOM 592 O THR A 334 -5.901 -8.515 -0.741 1.00 0.00 O ATOM 593 CB THR A 334 -6.586 -9.280 -4.066 1.00 0.00 C ATOM 594 OG1 THR A 334 -7.519 -10.228 -3.533 1.00 0.00 O ATOM 595 CG2 THR A 334 -6.017 -9.804 -5.375 1.00 0.00 C ATOM 0 H THR A 334 -5.559 -11.058 -2.571 1.00 0.00 H new ATOM 0 HA THR A 334 -4.649 -8.491 -3.547 1.00 0.00 H new ATOM 0 HB THR A 334 -7.097 -8.337 -4.261 1.00 0.00 H new ATOM 0 HG1 THR A 334 -8.231 -10.389 -4.186 1.00 0.00 H new ATOM 0 HG21 THR A 334 -6.829 -9.982 -6.079 1.00 0.00 H new ATOM 0 HG22 THR A 334 -5.329 -9.069 -5.793 1.00 0.00 H new ATOM 0 HG23 THR A 334 -5.484 -10.737 -5.192 1.00 0.00 H new ATOM 603 N TRP A 335 -6.575 -6.994 -2.262 1.00 0.00 N ATOM 604 CA TRP A 335 -7.112 -6.074 -1.261 1.00 0.00 C ATOM 605 C TRP A 335 -7.796 -4.874 -1.911 1.00 0.00 C ATOM 606 O TRP A 335 -7.418 -4.440 -2.999 1.00 0.00 O ATOM 607 CB TRP A 335 -5.994 -5.595 -0.330 1.00 0.00 C ATOM 608 CG TRP A 335 -6.379 -4.434 0.538 1.00 0.00 C ATOM 609 CD1 TRP A 335 -7.070 -4.488 1.715 1.00 0.00 C ATOM 610 CD2 TRP A 335 -6.090 -3.050 0.303 1.00 0.00 C ATOM 611 NE1 TRP A 335 -7.212 -3.224 2.234 1.00 0.00 N ATOM 612 CE2 TRP A 335 -6.624 -2.328 1.386 1.00 0.00 C ATOM 613 CE3 TRP A 335 -5.428 -2.348 -0.711 1.00 0.00 C ATOM 614 CZ2 TRP A 335 -6.517 -0.949 1.484 1.00 0.00 C ATOM 615 CZ3 TRP A 335 -5.327 -0.972 -0.611 1.00 0.00 C ATOM 616 CH2 TRP A 335 -5.865 -0.287 0.482 1.00 0.00 C ATOM 0 H TRP A 335 -6.680 -6.678 -3.226 1.00 0.00 H new ATOM 0 HA TRP A 335 -7.860 -6.615 -0.682 1.00 0.00 H new ATOM 0 HB2 TRP A 335 -5.685 -6.424 0.306 1.00 0.00 H new ATOM 0 HB3 TRP A 335 -5.129 -5.315 -0.932 1.00 0.00 H new ATOM 0 HD1 TRP A 335 -7.449 -5.391 2.170 1.00 0.00 H new ATOM 0 HE1 TRP A 335 -7.680 -2.992 3.110 1.00 0.00 H new ATOM 0 HE3 TRP A 335 -5.004 -2.871 -1.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 -6.935 -0.416 2.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 -4.824 -0.418 -1.390 1.00 0.00 H new ATOM 0 HH2 TRP A 335 -5.763 0.787 0.536 1.00 0.00 H new ATOM 627 N ARG A 336 -8.808 -4.347 -1.227 1.00 0.00 N ATOM 628 CA ARG A 336 -9.553 -3.195 -1.706 1.00 0.00 C ATOM 629 C ARG A 336 -9.511 -2.058 -0.696 1.00 0.00 C ATOM 630 O ARG A 336 -9.412 -2.291 0.508 1.00 0.00 O ATOM 631 CB ARG A 336 -10.999 -3.581 -1.951 1.00 0.00 C ATOM 632 CG ARG A 336 -11.185 -4.438 -3.171 1.00 0.00 C ATOM 633 CD ARG A 336 -11.623 -3.573 -4.315 1.00 0.00 C ATOM 634 NE ARG A 336 -11.025 -3.979 -5.584 1.00 0.00 N ATOM 635 CZ ARG A 336 -11.501 -3.623 -6.774 1.00 0.00 C ATOM 636 NH1 ARG A 336 -12.575 -2.851 -6.858 1.00 0.00 N ATOM 637 NH2 ARG A 336 -10.902 -4.041 -7.881 1.00 0.00 N ATOM 0 H ARG A 336 -9.131 -4.707 -0.329 1.00 0.00 H new ATOM 0 HA ARG A 336 -9.092 -2.860 -2.635 1.00 0.00 H new ATOM 0 HB2 ARG A 336 -11.379 -4.114 -1.079 1.00 0.00 H new ATOM 0 HB3 ARG A 336 -11.597 -2.676 -2.056 1.00 0.00 H new ATOM 0 HG2 ARG A 336 -10.253 -4.947 -3.419 1.00 0.00 H new ATOM 0 HG3 ARG A 336 -11.929 -5.211 -2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 336 -12.709 -3.611 -4.400 1.00 0.00 H new ATOM 0 HD3 ARG A 336 -11.356 -2.537 -4.106 1.00 0.00 H new ATOM 0 HE ARG A 336 -10.194 -4.570 -5.556 1.00 0.00 H new ATOM 0 HH11 ARG A 336 -13.039 -2.528 -6.009 1.00 0.00 H new ATOM 0 HH12 ARG A 336 -12.938 -2.580 -7.772 1.00 0.00 H new ATOM 0 HH21 ARG A 336 -10.076 -4.636 -7.820 1.00 0.00 H new ATOM 0 HH22 ARG A 336 -11.268 -3.768 -8.793 1.00 0.00 H new ATOM 651 N CYS A 337 -9.608 -0.829 -1.188 1.00 0.00 N ATOM 652 CA CYS A 337 -9.605 0.334 -0.309 1.00 0.00 C ATOM 653 C CYS A 337 -11.039 0.711 0.019 1.00 0.00 C ATOM 654 O CYS A 337 -11.953 0.310 -0.688 1.00 0.00 O ATOM 655 CB CYS A 337 -8.880 1.517 -0.952 1.00 0.00 C ATOM 656 SG CYS A 337 -9.834 2.354 -2.255 1.00 0.00 S ATOM 0 H CYS A 337 -9.689 -0.613 -2.181 1.00 0.00 H new ATOM 0 HA CYS A 337 -9.070 0.080 0.606 1.00 0.00 H new ATOM 0 HB2 CYS A 337 -8.631 2.242 -0.177 1.00 0.00 H new ATOM 0 HB3 CYS A 337 -7.938 1.166 -1.375 1.00 0.00 H new ATOM 0 HG CYS A 337 -9.067 2.574 -3.281 1.00 0.00 H new ATOM 661 N SER A 338 -11.234 1.483 1.082 1.00 0.00 N ATOM 662 CA SER A 338 -12.578 1.883 1.501 1.00 0.00 C ATOM 663 C SER A 338 -13.480 2.232 0.314 1.00 0.00 C ATOM 664 O SER A 338 -14.636 1.820 0.269 1.00 0.00 O ATOM 665 CB SER A 338 -12.509 3.070 2.459 1.00 0.00 C ATOM 666 OG SER A 338 -11.998 4.220 1.809 1.00 0.00 O ATOM 0 H SER A 338 -10.483 1.845 1.670 1.00 0.00 H new ATOM 0 HA SER A 338 -13.017 1.025 2.010 1.00 0.00 H new ATOM 0 HB2 SER A 338 -13.503 3.282 2.852 1.00 0.00 H new ATOM 0 HB3 SER A 338 -11.876 2.818 3.310 1.00 0.00 H new ATOM 0 HG SER A 338 -11.965 4.967 2.443 1.00 0.00 H new ATOM 672 N SER A 339 -12.947 2.985 -0.643 1.00 0.00 N ATOM 673 CA SER A 339 -13.714 3.394 -1.818 1.00 0.00 C ATOM 674 C SER A 339 -14.118 2.207 -2.694 1.00 0.00 C ATOM 675 O SER A 339 -15.307 1.903 -2.846 1.00 0.00 O ATOM 676 CB SER A 339 -12.903 4.388 -2.635 1.00 0.00 C ATOM 677 OG SER A 339 -13.619 4.820 -3.779 1.00 0.00 O ATOM 0 H SER A 339 -11.986 3.326 -0.629 1.00 0.00 H new ATOM 0 HA SER A 339 -14.633 3.860 -1.464 1.00 0.00 H new ATOM 0 HB2 SER A 339 -12.649 5.249 -2.016 1.00 0.00 H new ATOM 0 HB3 SER A 339 -11.964 3.928 -2.943 1.00 0.00 H new ATOM 0 HG SER A 339 -13.074 5.459 -4.284 1.00 0.00 H new ATOM 683 N CYS A 340 -13.122 1.531 -3.262 1.00 0.00 N ATOM 684 CA CYS A 340 -13.365 0.395 -4.132 1.00 0.00 C ATOM 685 C CYS A 340 -14.149 -0.673 -3.393 1.00 0.00 C ATOM 686 O CYS A 340 -14.761 -1.551 -3.999 1.00 0.00 O ATOM 687 CB CYS A 340 -12.040 -0.172 -4.631 1.00 0.00 C ATOM 688 SG CYS A 340 -11.029 1.015 -5.575 1.00 0.00 S ATOM 0 H CYS A 340 -12.136 1.756 -3.131 1.00 0.00 H new ATOM 0 HA CYS A 340 -13.951 0.726 -4.989 1.00 0.00 H new ATOM 0 HB2 CYS A 340 -11.463 -0.524 -3.776 1.00 0.00 H new ATOM 0 HB3 CYS A 340 -12.242 -1.040 -5.259 1.00 0.00 H new ATOM 0 HG CYS A 340 -9.774 0.846 -5.282 1.00 0.00 H new ATOM 693 N LEU A 341 -14.114 -0.584 -2.073 1.00 0.00 N ATOM 694 CA LEU A 341 -14.817 -1.513 -1.215 1.00 0.00 C ATOM 695 C LEU A 341 -16.316 -1.302 -1.318 1.00 0.00 C ATOM 696 O LEU A 341 -17.078 -2.252 -1.505 1.00 0.00 O ATOM 697 CB LEU A 341 -14.343 -1.335 0.216 1.00 0.00 C ATOM 698 CG LEU A 341 -13.091 -2.126 0.575 1.00 0.00 C ATOM 699 CD1 LEU A 341 -12.647 -1.827 1.990 1.00 0.00 C ATOM 700 CD2 LEU A 341 -13.343 -3.602 0.375 1.00 0.00 C ATOM 0 H LEU A 341 -13.596 0.136 -1.570 1.00 0.00 H new ATOM 0 HA LEU A 341 -14.602 -2.533 -1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 341 -14.150 -0.277 0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 341 -15.148 -1.629 0.890 1.00 0.00 H new ATOM 0 HG LEU A 341 -12.280 -1.822 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 341 -11.752 -2.405 2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 341 -12.427 -0.764 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 341 -13.442 -2.097 2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 341 -12.445 -4.163 0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 341 -14.166 -3.921 1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 341 -13.601 -3.789 -0.667 1.00 0.00 H new ATOM 803 N ALA B 1 -1.511 -8.012 0.203 1.00 0.00 N ATOM 804 CA ALA B 1 -1.683 -6.943 -0.814 1.00 0.00 C ATOM 805 C ALA B 1 -0.334 -6.469 -1.348 1.00 0.00 C ATOM 806 O ALA B 1 0.718 -6.921 -0.900 1.00 0.00 O ATOM 807 CB ALA B 1 -2.473 -5.778 -0.237 1.00 0.00 C ATOM 0 H1 ALA B 1 -1.919 -8.900 -0.154 1.00 0.00 H new ATOM 0 H2 ALA B 1 -0.498 -8.149 0.395 1.00 0.00 H new ATOM 0 H3 ALA B 1 -1.995 -7.737 1.081 1.00 0.00 H new ATOM 0 HA ALA B 1 -2.245 -7.360 -1.649 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -2.589 -5.005 -0.997 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -3.456 -6.126 0.079 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -1.941 -5.367 0.621 1.00 0.00 H new ATOM 815 N ARG B 2 -0.380 -5.553 -2.313 1.00 0.00 N ATOM 816 CA ARG B 2 0.833 -5.019 -2.928 1.00 0.00 C ATOM 817 C ARG B 2 1.375 -3.824 -2.152 1.00 0.00 C ATOM 818 O ARG B 2 1.539 -2.737 -2.707 1.00 0.00 O ATOM 819 CB ARG B 2 0.543 -4.602 -4.373 1.00 0.00 C ATOM 820 CG ARG B 2 -0.030 -5.723 -5.225 1.00 0.00 C ATOM 821 CD ARG B 2 -0.455 -5.221 -6.596 1.00 0.00 C ATOM 822 NE ARG B 2 -1.105 -6.266 -7.383 1.00 0.00 N ATOM 823 CZ ARG B 2 -2.296 -6.125 -7.959 1.00 0.00 C ATOM 824 NH1 ARG B 2 -2.969 -4.988 -7.831 1.00 0.00 N ATOM 825 NH2 ARG B 2 -2.816 -7.121 -8.664 1.00 0.00 N ATOM 0 H ARG B 2 -1.246 -5.165 -2.686 1.00 0.00 H new ATOM 0 HA ARG B 2 1.588 -5.805 -2.913 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -0.157 -3.766 -4.368 1.00 0.00 H new ATOM 0 HB3 ARG B 2 1.465 -4.243 -4.831 1.00 0.00 H new ATOM 0 HG2 ARG B 2 0.715 -6.511 -5.340 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -0.887 -6.166 -4.717 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -1.137 -4.378 -6.479 1.00 0.00 H new ATOM 0 HD3 ARG B 2 0.418 -4.852 -7.134 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.618 -7.155 -7.498 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -2.573 -4.219 -7.290 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.882 -4.883 -8.274 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -2.303 -7.997 -8.765 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -3.729 -7.011 -9.105 1.00 0.00 H new ATOM 839 N THR B 3 1.664 -4.023 -0.870 1.00 0.00 N ATOM 840 CA THR B 3 2.189 -2.943 -0.044 1.00 0.00 C ATOM 841 C THR B 3 3.689 -2.786 -0.257 1.00 0.00 C ATOM 842 O THR B 3 4.467 -3.701 0.015 1.00 0.00 O ATOM 843 CB THR B 3 1.893 -3.156 1.456 1.00 0.00 C ATOM 844 OG1 THR B 3 3.000 -3.804 2.094 1.00 0.00 O ATOM 845 CG2 THR B 3 0.639 -3.993 1.649 1.00 0.00 C ATOM 0 H THR B 3 1.545 -4.912 -0.385 1.00 0.00 H new ATOM 0 HA THR B 3 1.680 -2.031 -0.356 1.00 0.00 H new ATOM 0 HB THR B 3 1.735 -2.177 1.908 1.00 0.00 H new ATOM 0 HG1 THR B 3 3.574 -4.215 1.415 1.00 0.00 H new ATOM 0 HG21 THR B 3 0.452 -4.129 2.714 1.00 0.00 H new ATOM 0 HG22 THR B 3 -0.211 -3.485 1.193 1.00 0.00 H new ATOM 0 HG23 THR B 3 0.775 -4.966 1.178 1.00 0.00 H new ATOM 853 N LYS B 4 4.085 -1.621 -0.755 1.00 0.00 N ATOM 854 CA LYS B 4 5.489 -1.337 -1.023 1.00 0.00 C ATOM 855 C LYS B 4 5.956 -0.108 -0.250 1.00 0.00 C ATOM 856 O LYS B 4 5.150 0.739 0.136 1.00 0.00 O ATOM 857 CB LYS B 4 5.698 -1.129 -2.526 1.00 0.00 C ATOM 858 CG LYS B 4 4.819 -0.040 -3.120 1.00 0.00 C ATOM 859 CD LYS B 4 5.514 1.312 -3.103 1.00 0.00 C ATOM 860 CE LYS B 4 4.601 2.414 -3.616 1.00 0.00 C ATOM 861 NZ LYS B 4 3.993 2.067 -4.930 1.00 0.00 N ATOM 0 H LYS B 4 3.451 -0.855 -0.982 1.00 0.00 H new ATOM 0 HA LYS B 4 6.083 -2.189 -0.692 1.00 0.00 H new ATOM 0 HB2 LYS B 4 6.743 -0.879 -2.707 1.00 0.00 H new ATOM 0 HB3 LYS B 4 5.500 -2.067 -3.045 1.00 0.00 H new ATOM 0 HG2 LYS B 4 4.557 -0.302 -4.145 1.00 0.00 H new ATOM 0 HG3 LYS B 4 3.887 0.022 -2.559 1.00 0.00 H new ATOM 0 HD2 LYS B 4 5.833 1.546 -2.087 1.00 0.00 H new ATOM 0 HD3 LYS B 4 6.413 1.268 -3.717 1.00 0.00 H new ATOM 0 HE2 LYS B 4 3.811 2.598 -2.888 1.00 0.00 H new ATOM 0 HE3 LYS B 4 5.168 3.340 -3.712 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 4.099 2.869 -5.584 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 4.472 1.232 -5.325 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 2.983 1.857 -4.800 1.00 0.00 H new ATOM 875 N GLN B 5 7.264 -0.022 -0.027 1.00 0.00 N ATOM 876 CA GLN B 5 7.844 1.101 0.700 1.00 0.00 C ATOM 877 C GLN B 5 8.276 2.205 -0.261 1.00 0.00 C ATOM 878 O GLN B 5 8.986 1.951 -1.235 1.00 0.00 O ATOM 879 CB GLN B 5 9.039 0.632 1.533 1.00 0.00 C ATOM 880 CG GLN B 5 10.119 -0.057 0.715 1.00 0.00 C ATOM 881 CD GLN B 5 11.252 -0.584 1.573 1.00 0.00 C ATOM 882 OE1 GLN B 5 11.215 -1.723 2.039 1.00 0.00 O ATOM 883 NE2 GLN B 5 12.267 0.245 1.787 1.00 0.00 N ATOM 0 H GLN B 5 7.942 -0.717 -0.340 1.00 0.00 H new ATOM 0 HA GLN B 5 7.083 1.505 1.367 1.00 0.00 H new ATOM 0 HB2 GLN B 5 9.474 1.491 2.044 1.00 0.00 H new ATOM 0 HB3 GLN B 5 8.687 -0.053 2.304 1.00 0.00 H new ATOM 0 HG2 GLN B 5 9.676 -0.882 0.157 1.00 0.00 H new ATOM 0 HG3 GLN B 5 10.519 0.645 -0.017 1.00 0.00 H new ATOM 0 HE21 GLN B 5 12.256 1.181 1.381 1.00 0.00 H new ATOM 0 HE22 GLN B 5 13.058 -0.054 2.357 1.00 0.00 H new ATOM 892 N THR B 6 7.842 3.430 0.018 1.00 0.00 N ATOM 893 CA THR B 6 8.181 4.574 -0.821 1.00 0.00 C ATOM 894 C THR B 6 8.902 5.649 -0.015 1.00 0.00 C ATOM 895 O THR B 6 8.803 5.690 1.211 1.00 0.00 O ATOM 896 CB THR B 6 6.924 5.188 -1.467 1.00 0.00 C ATOM 897 OG1 THR B 6 7.284 6.329 -2.253 1.00 0.00 O ATOM 898 CG2 THR B 6 5.917 5.594 -0.402 1.00 0.00 C ATOM 0 H THR B 6 7.254 3.656 0.820 1.00 0.00 H new ATOM 0 HA THR B 6 8.841 4.208 -1.607 1.00 0.00 H new ATOM 0 HB THR B 6 6.467 4.437 -2.111 1.00 0.00 H new ATOM 0 HG1 THR B 6 6.473 6.805 -2.530 1.00 0.00 H new ATOM 0 HG21 THR B 6 5.037 6.025 -0.879 1.00 0.00 H new ATOM 0 HG22 THR B 6 5.624 4.717 0.175 1.00 0.00 H new ATOM 0 HG23 THR B 6 6.367 6.331 0.262 1.00 0.00 H new