USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=16 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 166:sc= 1.17 USER MOD Set 1.2: A 314 CYS SG : rot -39:sc= 0.281 USER MOD Set 1.3: A 337 CYS SG : rot -126:sc= 1.57 USER MOD Set 1.4: A 339 SER OG : rot -38:sc= 0.925 USER MOD Set 1.5: A 340 CYS SG : rot 85:sc= 0.0429 USER MOD Set 2.1: A 324 SER OG : rot 180:sc=0.000663 USER MOD Set 2.2: A 338 SER OG : rot -170:sc= 0.00136 USER MOD Set 3.1: A 310 CYS SG : rot -160:sc= -0.903 USER MOD Set 3.2: B 4 LYS NZ :NH3+ -125:sc= 2.2 (180deg=-0.0593) USER MOD Set 4.1: A 299 CYS SG : rot 163:sc= -4.78! USER MOD Set 4.2: A 302 CYS SG : rot 132:sc= 0.13 USER MOD Set 4.3: A 319 HIS : no HD1:sc= 0.184 K(o=-11,f=-14!) USER MOD Set 4.4: A 322 CYS SG : rot 148:sc= -6.98! USER MOD Single : A 295 ASN : amide:sc= -8.58! C(o=-8.6!,f=-3.6!) 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 : B 1 ALA N :NH3+ 180:sc= -0.183 (180deg=-0.183) USER MOD Single : B 3 THR OG1 : rot -13:sc= 1.11 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 1.270 1.583 -7.822 1.00 0.00 N ATOM 44 CA ASN A 295 0.291 2.664 -7.872 1.00 0.00 C ATOM 45 C ASN A 295 0.982 4.025 -7.882 1.00 0.00 C ATOM 46 O ASN A 295 2.146 4.133 -8.271 1.00 0.00 O ATOM 47 CB ASN A 295 -0.661 2.567 -6.678 1.00 0.00 C ATOM 48 CG ASN A 295 -1.498 1.303 -6.706 1.00 0.00 C ATOM 49 OD1 ASN A 295 -1.117 0.304 -7.314 1.00 0.00 O ATOM 50 ND2 ASN A 295 -2.643 1.338 -6.033 1.00 0.00 N ATOM 0 HA ASN A 295 -0.281 2.564 -8.794 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -0.084 2.597 -5.754 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -1.320 3.435 -6.671 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -3.245 0.515 -6.007 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -2.920 2.188 -5.542 1.00 0.00 H new ATOM 57 N GLU A 296 0.264 5.064 -7.459 1.00 0.00 N ATOM 58 CA GLU A 296 0.826 6.410 -7.423 1.00 0.00 C ATOM 59 C GLU A 296 1.960 6.509 -6.403 1.00 0.00 C ATOM 60 O GLU A 296 2.664 7.517 -6.336 1.00 0.00 O ATOM 61 CB GLU A 296 -0.262 7.432 -7.095 1.00 0.00 C ATOM 62 CG GLU A 296 -1.335 7.538 -8.162 1.00 0.00 C ATOM 63 CD GLU A 296 -0.794 8.030 -9.490 1.00 0.00 C ATOM 64 OE1 GLU A 296 -0.636 9.259 -9.650 1.00 0.00 O ATOM 65 OE2 GLU A 296 -0.528 7.185 -10.371 1.00 0.00 O ATOM 0 H GLU A 296 -0.702 4.999 -7.139 1.00 0.00 H new ATOM 0 HA GLU A 296 1.235 6.628 -8.410 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -0.729 7.163 -6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 296 0.199 8.410 -6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -1.799 6.562 -8.303 1.00 0.00 H new ATOM 0 HG3 GLU A 296 -2.117 8.216 -7.819 1.00 0.00 H new ATOM 72 N ASP A 297 2.131 5.447 -5.617 1.00 0.00 N ATOM 73 CA ASP A 297 3.172 5.396 -4.591 1.00 0.00 C ATOM 74 C ASP A 297 3.051 6.581 -3.638 1.00 0.00 C ATOM 75 O ASP A 297 4.006 7.332 -3.438 1.00 0.00 O ATOM 76 CB ASP A 297 4.565 5.382 -5.223 1.00 0.00 C ATOM 77 CG ASP A 297 4.567 4.811 -6.628 1.00 0.00 C ATOM 78 OD1 ASP A 297 4.575 3.570 -6.765 1.00 0.00 O ATOM 79 OD2 ASP A 297 4.564 5.607 -7.591 1.00 0.00 O ATOM 0 H ASP A 297 1.558 4.605 -5.672 1.00 0.00 H new ATOM 0 HA ASP A 297 3.035 4.473 -4.028 1.00 0.00 H new ATOM 0 HB2 ASP A 297 4.958 6.398 -5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 297 5.237 4.796 -4.597 1.00 0.00 H new ATOM 84 N GLU A 298 1.868 6.742 -3.057 1.00 0.00 N ATOM 85 CA GLU A 298 1.614 7.831 -2.124 1.00 0.00 C ATOM 86 C GLU A 298 0.340 7.574 -1.330 1.00 0.00 C ATOM 87 O GLU A 298 -0.715 7.299 -1.904 1.00 0.00 O ATOM 88 CB GLU A 298 1.504 9.159 -2.871 1.00 0.00 C ATOM 89 CG GLU A 298 0.597 9.103 -4.088 1.00 0.00 C ATOM 90 CD GLU A 298 0.503 10.434 -4.808 1.00 0.00 C ATOM 91 OE1 GLU A 298 1.394 10.726 -5.634 1.00 0.00 O ATOM 92 OE2 GLU A 298 -0.460 11.184 -4.547 1.00 0.00 O ATOM 0 H GLU A 298 1.068 6.130 -3.217 1.00 0.00 H new ATOM 0 HA GLU A 298 2.452 7.885 -1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 298 1.131 9.921 -2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 298 2.500 9.472 -3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 298 0.969 8.346 -4.779 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -0.400 8.790 -3.779 1.00 0.00 H new ATOM 99 N CYS A 299 0.445 7.659 -0.008 1.00 0.00 N ATOM 100 CA CYS A 299 -0.703 7.436 0.863 1.00 0.00 C ATOM 101 C CYS A 299 -1.852 8.361 0.482 1.00 0.00 C ATOM 102 O CYS A 299 -1.680 9.574 0.400 1.00 0.00 O ATOM 103 CB CYS A 299 -0.310 7.657 2.323 1.00 0.00 C ATOM 104 SG CYS A 299 -1.716 7.741 3.483 1.00 0.00 S ATOM 0 H CYS A 299 1.311 7.880 0.483 1.00 0.00 H new ATOM 0 HA CYS A 299 -1.034 6.405 0.740 1.00 0.00 H new ATOM 0 HB2 CYS A 299 0.353 6.849 2.634 1.00 0.00 H new ATOM 0 HB3 CYS A 299 0.260 8.583 2.396 1.00 0.00 H new ATOM 0 HG CYS A 299 -1.289 7.557 4.697 1.00 0.00 H new ATOM 109 N ALA A 300 -3.025 7.787 0.254 1.00 0.00 N ATOM 110 CA ALA A 300 -4.192 8.571 -0.130 1.00 0.00 C ATOM 111 C ALA A 300 -4.724 9.403 1.035 1.00 0.00 C ATOM 112 O ALA A 300 -5.779 10.029 0.924 1.00 0.00 O ATOM 113 CB ALA A 300 -5.285 7.658 -0.665 1.00 0.00 C ATOM 0 H ALA A 300 -3.194 6.784 0.328 1.00 0.00 H new ATOM 0 HA ALA A 300 -3.883 9.261 -0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -6.152 8.255 -0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.915 7.119 -1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.573 6.944 0.107 1.00 0.00 H new ATOM 119 N VAL A 301 -3.996 9.412 2.150 1.00 0.00 N ATOM 120 CA VAL A 301 -4.423 10.172 3.323 1.00 0.00 C ATOM 121 C VAL A 301 -3.353 11.173 3.783 1.00 0.00 C ATOM 122 O VAL A 301 -3.648 12.095 4.546 1.00 0.00 O ATOM 123 CB VAL A 301 -4.809 9.227 4.490 1.00 0.00 C ATOM 124 CG1 VAL A 301 -5.050 7.823 3.971 1.00 0.00 C ATOM 125 CG2 VAL A 301 -3.763 9.242 5.594 1.00 0.00 C ATOM 0 H VAL A 301 -3.117 8.908 2.266 1.00 0.00 H new ATOM 0 HA VAL A 301 -5.304 10.741 3.026 1.00 0.00 H new ATOM 0 HB VAL A 301 -5.737 9.593 4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 301 -5.320 7.170 4.801 1.00 0.00 H new ATOM 0 HG12 VAL A 301 -5.861 7.839 3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 301 -4.143 7.450 3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 301 -4.069 8.568 6.394 1.00 0.00 H new ATOM 0 HG22 VAL A 301 -2.804 8.916 5.191 1.00 0.00 H new ATOM 0 HG23 VAL A 301 -3.666 10.253 5.989 1.00 0.00 H new ATOM 135 N CYS A 302 -2.113 10.995 3.319 1.00 0.00 N ATOM 136 CA CYS A 302 -1.017 11.894 3.699 1.00 0.00 C ATOM 137 C CYS A 302 -0.381 12.550 2.481 1.00 0.00 C ATOM 138 O CYS A 302 0.250 13.602 2.593 1.00 0.00 O ATOM 139 CB CYS A 302 0.076 11.136 4.457 1.00 0.00 C ATOM 140 SG CYS A 302 -0.464 10.361 6.008 1.00 0.00 S ATOM 0 H CYS A 302 -1.843 10.243 2.685 1.00 0.00 H new ATOM 0 HA CYS A 302 -1.453 12.661 4.338 1.00 0.00 H new ATOM 0 HB2 CYS A 302 0.481 10.363 3.804 1.00 0.00 H new ATOM 0 HB3 CYS A 302 0.890 11.826 4.677 1.00 0.00 H new ATOM 0 HG CYS A 302 -0.041 9.132 6.049 1.00 0.00 H new ATOM 145 N ARG A 303 -0.544 11.918 1.323 1.00 0.00 N ATOM 146 CA ARG A 303 0.038 12.414 0.081 1.00 0.00 C ATOM 147 C ARG A 303 1.560 12.334 0.149 1.00 0.00 C ATOM 148 O ARG A 303 2.263 12.909 -0.682 1.00 0.00 O ATOM 149 CB ARG A 303 -0.411 13.851 -0.208 1.00 0.00 C ATOM 150 CG ARG A 303 -1.759 13.941 -0.907 1.00 0.00 C ATOM 151 CD ARG A 303 -2.891 13.439 -0.024 1.00 0.00 C ATOM 152 NE ARG A 303 -4.158 13.366 -0.748 1.00 0.00 N ATOM 153 CZ ARG A 303 -5.259 14.011 -0.377 1.00 0.00 C ATOM 154 NH1 ARG A 303 -5.248 14.784 0.700 1.00 0.00 N ATOM 155 NH2 ARG A 303 -6.373 13.887 -1.087 1.00 0.00 N ATOM 0 H ARG A 303 -1.078 11.055 1.219 1.00 0.00 H new ATOM 0 HA ARG A 303 -0.315 11.785 -0.736 1.00 0.00 H new ATOM 0 HB2 ARG A 303 -0.461 14.403 0.731 1.00 0.00 H new ATOM 0 HB3 ARG A 303 0.342 14.340 -0.826 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -1.952 14.975 -1.191 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -1.730 13.357 -1.827 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -2.638 12.452 0.364 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -3.002 14.101 0.835 1.00 0.00 H new ATOM 0 HE ARG A 303 -4.200 12.787 -1.586 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -4.393 14.885 1.247 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -6.095 15.278 0.982 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -6.385 13.296 -1.918 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -7.218 14.382 -0.801 1.00 0.00 H new ATOM 169 N ASP A 304 2.056 11.606 1.149 1.00 0.00 N ATOM 170 CA ASP A 304 3.492 11.430 1.344 1.00 0.00 C ATOM 171 C ASP A 304 3.911 9.998 1.015 1.00 0.00 C ATOM 172 O ASP A 304 3.248 9.315 0.234 1.00 0.00 O ATOM 173 CB ASP A 304 3.878 11.778 2.783 1.00 0.00 C ATOM 174 CG ASP A 304 3.686 13.248 3.097 1.00 0.00 C ATOM 175 OD1 ASP A 304 4.558 14.055 2.713 1.00 0.00 O ATOM 176 OD2 ASP A 304 2.664 13.593 3.725 1.00 0.00 O ATOM 0 H ASP A 304 1.479 11.126 1.840 1.00 0.00 H new ATOM 0 HA ASP A 304 4.015 12.105 0.667 1.00 0.00 H new ATOM 0 HB2 ASP A 304 3.278 11.182 3.471 1.00 0.00 H new ATOM 0 HB3 ASP A 304 4.920 11.507 2.952 1.00 0.00 H new ATOM 181 N GLY A 305 5.009 9.543 1.619 1.00 0.00 N ATOM 182 CA GLY A 305 5.489 8.196 1.359 1.00 0.00 C ATOM 183 C GLY A 305 5.405 7.280 2.565 1.00 0.00 C ATOM 184 O GLY A 305 4.501 7.407 3.389 1.00 0.00 O ATOM 0 H GLY A 305 5.571 10.080 2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 305 4.910 7.764 0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 305 6.525 8.247 1.023 1.00 0.00 H new ATOM 188 N GLY A 306 6.357 6.352 2.662 1.00 0.00 N ATOM 189 CA GLY A 306 6.370 5.400 3.762 1.00 0.00 C ATOM 190 C GLY A 306 5.764 4.072 3.351 1.00 0.00 C ATOM 191 O GLY A 306 5.482 3.862 2.172 1.00 0.00 O ATOM 0 H GLY A 306 7.122 6.243 1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 306 7.395 5.245 4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 306 5.815 5.809 4.606 1.00 0.00 H new ATOM 195 N GLU A 307 5.566 3.165 4.306 1.00 0.00 N ATOM 196 CA GLU A 307 4.976 1.874 3.998 1.00 0.00 C ATOM 197 C GLU A 307 3.506 2.042 3.648 1.00 0.00 C ATOM 198 O GLU A 307 2.696 2.415 4.497 1.00 0.00 O ATOM 199 CB GLU A 307 5.125 0.930 5.191 1.00 0.00 C ATOM 200 CG GLU A 307 4.400 -0.399 5.024 1.00 0.00 C ATOM 201 CD GLU A 307 4.820 -1.159 3.777 1.00 0.00 C ATOM 202 OE1 GLU A 307 4.487 -0.703 2.662 1.00 0.00 O ATOM 203 OE2 GLU A 307 5.476 -2.212 3.916 1.00 0.00 O ATOM 0 H GLU A 307 5.804 3.302 5.288 1.00 0.00 H new ATOM 0 HA GLU A 307 5.496 1.445 3.142 1.00 0.00 H new ATOM 0 HB2 GLU A 307 6.185 0.736 5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 307 4.748 1.428 6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 307 4.587 -1.020 5.900 1.00 0.00 H new ATOM 0 HG3 GLU A 307 3.326 -0.217 4.986 1.00 0.00 H new ATOM 210 N LEU A 308 3.161 1.766 2.396 1.00 0.00 N ATOM 211 CA LEU A 308 1.781 1.888 1.957 1.00 0.00 C ATOM 212 C LEU A 308 1.309 0.618 1.262 1.00 0.00 C ATOM 213 O LEU A 308 2.109 -0.156 0.736 1.00 0.00 O ATOM 214 CB LEU A 308 1.593 3.076 1.010 1.00 0.00 C ATOM 215 CG LEU A 308 2.668 4.151 1.037 1.00 0.00 C ATOM 216 CD1 LEU A 308 2.521 5.045 -0.181 1.00 0.00 C ATOM 217 CD2 LEU A 308 2.550 4.970 2.304 1.00 0.00 C ATOM 0 H LEU A 308 3.813 1.459 1.674 1.00 0.00 H new ATOM 0 HA LEU A 308 1.182 2.052 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.523 2.692 -0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 308 0.637 3.546 1.240 1.00 0.00 H new ATOM 0 HG LEU A 308 3.651 3.680 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 308 3.292 5.816 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 308 2.628 4.447 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 308 1.538 5.515 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 308 3.324 5.737 2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 308 1.569 5.444 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 308 2.672 4.320 3.170 1.00 0.00 H new ATOM 229 N ILE A 309 -0.001 0.423 1.266 1.00 0.00 N ATOM 230 CA ILE A 309 -0.625 -0.732 0.644 1.00 0.00 C ATOM 231 C ILE A 309 -1.414 -0.315 -0.593 1.00 0.00 C ATOM 232 O ILE A 309 -2.542 0.169 -0.495 1.00 0.00 O ATOM 233 CB ILE A 309 -1.567 -1.442 1.632 1.00 0.00 C ATOM 234 CG1 ILE A 309 -2.325 -2.576 0.941 1.00 0.00 C ATOM 235 CG2 ILE A 309 -2.536 -0.443 2.240 1.00 0.00 C ATOM 236 CD1 ILE A 309 -3.224 -3.352 1.876 1.00 0.00 C ATOM 0 H ILE A 309 -0.663 1.065 1.703 1.00 0.00 H new ATOM 0 HA ILE A 309 0.168 -1.420 0.350 1.00 0.00 H new ATOM 0 HB ILE A 309 -0.966 -1.877 2.431 1.00 0.00 H new ATOM 0 HG12 ILE A 309 -2.926 -2.161 0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 309 -1.607 -3.260 0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 309 -3.198 -0.956 2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 309 -1.978 0.329 2.770 1.00 0.00 H new ATOM 0 HG23 ILE A 309 -3.129 0.017 1.449 1.00 0.00 H new ATOM 0 HD11 ILE A 309 -3.732 -4.141 1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 309 -2.625 -3.795 2.672 1.00 0.00 H new ATOM 0 HD13 ILE A 309 -3.964 -2.680 2.310 1.00 0.00 H new ATOM 248 N CYS A 310 -0.810 -0.497 -1.754 1.00 0.00 N ATOM 249 CA CYS A 310 -1.454 -0.140 -3.008 1.00 0.00 C ATOM 250 C CYS A 310 -2.781 -0.877 -3.174 1.00 0.00 C ATOM 251 O CYS A 310 -2.911 -2.042 -2.799 1.00 0.00 O ATOM 252 CB CYS A 310 -0.524 -0.463 -4.168 1.00 0.00 C ATOM 253 SG CYS A 310 0.887 0.656 -4.322 1.00 0.00 S ATOM 0 H CYS A 310 0.126 -0.890 -1.856 1.00 0.00 H new ATOM 0 HA CYS A 310 -1.664 0.929 -2.998 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -0.154 -1.481 -4.049 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -1.096 -0.438 -5.095 1.00 0.00 H new ATOM 0 HG CYS A 310 1.369 0.584 -5.527 1.00 0.00 H new ATOM 259 N CYS A 311 -3.759 -0.181 -3.739 1.00 0.00 N ATOM 260 CA CYS A 311 -5.086 -0.741 -3.959 1.00 0.00 C ATOM 261 C CYS A 311 -5.177 -1.415 -5.325 1.00 0.00 C ATOM 262 O CYS A 311 -4.577 -0.960 -6.298 1.00 0.00 O ATOM 263 CB CYS A 311 -6.134 0.368 -3.842 1.00 0.00 C ATOM 264 SG CYS A 311 -7.842 -0.170 -4.168 1.00 0.00 S ATOM 0 H CYS A 311 -3.656 0.783 -4.056 1.00 0.00 H new ATOM 0 HA CYS A 311 -5.275 -1.500 -3.200 1.00 0.00 H new ATOM 0 HB2 CYS A 311 -6.085 0.792 -2.839 1.00 0.00 H new ATOM 0 HB3 CYS A 311 -5.879 1.167 -4.539 1.00 0.00 H new ATOM 0 HG CYS A 311 -8.671 0.744 -3.758 1.00 0.00 H new ATOM 269 N ASP A 312 -5.932 -2.508 -5.385 1.00 0.00 N ATOM 270 CA ASP A 312 -6.109 -3.255 -6.624 1.00 0.00 C ATOM 271 C ASP A 312 -7.210 -2.633 -7.472 1.00 0.00 C ATOM 272 O ASP A 312 -7.202 -2.744 -8.699 1.00 0.00 O ATOM 273 CB ASP A 312 -6.448 -4.717 -6.322 1.00 0.00 C ATOM 274 CG ASP A 312 -6.593 -5.550 -7.581 1.00 0.00 C ATOM 275 OD1 ASP A 312 -5.563 -6.038 -8.092 1.00 0.00 O ATOM 276 OD2 ASP A 312 -7.736 -5.713 -8.057 1.00 0.00 O ATOM 0 H ASP A 312 -6.433 -2.897 -4.586 1.00 0.00 H new ATOM 0 HA ASP A 312 -5.173 -3.216 -7.182 1.00 0.00 H new ATOM 0 HB2 ASP A 312 -5.667 -5.146 -5.694 1.00 0.00 H new ATOM 0 HB3 ASP A 312 -7.376 -4.761 -5.752 1.00 0.00 H new ATOM 281 N GLY A 313 -8.157 -1.981 -6.807 1.00 0.00 N ATOM 282 CA GLY A 313 -9.254 -1.343 -7.510 1.00 0.00 C ATOM 283 C GLY A 313 -8.861 0.000 -8.089 1.00 0.00 C ATOM 284 O GLY A 313 -9.441 0.451 -9.076 1.00 0.00 O ATOM 0 H GLY A 313 -8.184 -1.883 -5.792 1.00 0.00 H new ATOM 0 HA2 GLY A 313 -9.597 -1.996 -8.313 1.00 0.00 H new ATOM 0 HA3 GLY A 313 -10.093 -1.210 -6.826 1.00 0.00 H new ATOM 288 N CYS A 314 -7.872 0.642 -7.472 1.00 0.00 N ATOM 289 CA CYS A 314 -7.403 1.942 -7.936 1.00 0.00 C ATOM 290 C CYS A 314 -5.947 2.184 -7.523 1.00 0.00 C ATOM 291 O CYS A 314 -5.423 1.498 -6.648 1.00 0.00 O ATOM 292 CB CYS A 314 -8.299 3.054 -7.386 1.00 0.00 C ATOM 293 SG CYS A 314 -8.133 3.333 -5.595 1.00 0.00 S ATOM 0 H CYS A 314 -7.382 0.283 -6.652 1.00 0.00 H new ATOM 0 HA CYS A 314 -7.452 1.950 -9.025 1.00 0.00 H new ATOM 0 HB2 CYS A 314 -8.069 3.982 -7.909 1.00 0.00 H new ATOM 0 HB3 CYS A 314 -9.338 2.811 -7.609 1.00 0.00 H new ATOM 0 HG CYS A 314 -8.004 2.191 -4.988 1.00 0.00 H new ATOM 298 N PRO A 315 -5.276 3.156 -8.172 1.00 0.00 N ATOM 299 CA PRO A 315 -3.871 3.502 -7.889 1.00 0.00 C ATOM 300 C PRO A 315 -3.670 4.242 -6.564 1.00 0.00 C ATOM 301 O PRO A 315 -3.016 5.289 -6.532 1.00 0.00 O ATOM 302 CB PRO A 315 -3.483 4.436 -9.048 1.00 0.00 C ATOM 303 CG PRO A 315 -4.601 4.360 -10.036 1.00 0.00 C ATOM 304 CD PRO A 315 -5.824 3.980 -9.258 1.00 0.00 C ATOM 0 HA PRO A 315 -3.269 2.597 -7.805 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -3.344 5.458 -8.695 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -2.542 4.125 -9.501 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -4.742 5.317 -10.539 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -4.387 3.622 -10.809 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -6.349 4.856 -8.876 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -6.535 3.424 -9.869 1.00 0.00 H new ATOM 312 N ARG A 316 -4.196 3.697 -5.469 1.00 0.00 N ATOM 313 CA ARG A 316 -4.061 4.347 -4.167 1.00 0.00 C ATOM 314 C ARG A 316 -3.505 3.415 -3.094 1.00 0.00 C ATOM 315 O ARG A 316 -4.087 2.375 -2.793 1.00 0.00 O ATOM 316 CB ARG A 316 -5.405 4.894 -3.705 1.00 0.00 C ATOM 317 CG ARG A 316 -5.699 6.290 -4.210 1.00 0.00 C ATOM 318 CD ARG A 316 -6.948 6.847 -3.551 1.00 0.00 C ATOM 319 NE ARG A 316 -8.169 6.384 -4.204 1.00 0.00 N ATOM 320 CZ ARG A 316 -9.312 7.063 -4.197 1.00 0.00 C ATOM 321 NH1 ARG A 316 -9.388 8.235 -3.579 1.00 0.00 N ATOM 322 NH2 ARG A 316 -10.380 6.574 -4.812 1.00 0.00 N ATOM 0 H ARG A 316 -4.713 2.818 -5.456 1.00 0.00 H new ATOM 0 HA ARG A 316 -3.348 5.160 -4.302 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -6.195 4.222 -4.040 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -5.430 4.898 -2.615 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -4.851 6.943 -4.004 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -5.830 6.271 -5.292 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -6.965 6.553 -2.502 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -6.915 7.936 -3.576 1.00 0.00 H new ATOM 0 HE ARG A 316 -8.144 5.489 -4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -8.568 8.617 -3.108 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -10.266 8.754 -3.575 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -10.326 5.675 -5.292 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -11.256 7.096 -4.806 1.00 0.00 H new ATOM 336 N ALA A 317 -2.383 3.819 -2.511 1.00 0.00 N ATOM 337 CA ALA A 317 -1.740 3.059 -1.445 1.00 0.00 C ATOM 338 C ALA A 317 -2.080 3.696 -0.088 1.00 0.00 C ATOM 339 O ALA A 317 -2.269 4.909 -0.013 1.00 0.00 O ATOM 340 CB ALA A 317 -0.238 3.041 -1.666 1.00 0.00 C ATOM 0 H ALA A 317 -1.895 4.679 -2.762 1.00 0.00 H new ATOM 0 HA ALA A 317 -2.104 2.032 -1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 317 0.240 2.473 -0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -0.017 2.575 -2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 317 0.143 4.062 -1.662 1.00 0.00 H new ATOM 346 N PHE A 318 -2.170 2.897 0.979 1.00 0.00 N ATOM 347 CA PHE A 318 -2.501 3.441 2.307 1.00 0.00 C ATOM 348 C PHE A 318 -1.491 3.030 3.384 1.00 0.00 C ATOM 349 O PHE A 318 -0.894 1.962 3.326 1.00 0.00 O ATOM 350 CB PHE A 318 -3.905 2.993 2.727 1.00 0.00 C ATOM 351 CG PHE A 318 -5.013 3.709 2.021 1.00 0.00 C ATOM 352 CD1 PHE A 318 -5.282 3.436 0.702 1.00 0.00 C ATOM 353 CD2 PHE A 318 -5.790 4.646 2.684 1.00 0.00 C ATOM 354 CE1 PHE A 318 -6.306 4.078 0.042 1.00 0.00 C ATOM 355 CE2 PHE A 318 -6.819 5.296 2.032 1.00 0.00 C ATOM 356 CZ PHE A 318 -7.079 5.011 0.706 1.00 0.00 C ATOM 0 H PHE A 318 -2.022 1.888 0.956 1.00 0.00 H new ATOM 0 HA PHE A 318 -2.463 4.527 2.219 1.00 0.00 H new ATOM 0 HB2 PHE A 318 -4.003 1.923 2.543 1.00 0.00 H new ATOM 0 HB3 PHE A 318 -4.016 3.143 3.801 1.00 0.00 H new ATOM 0 HD1 PHE A 318 -4.682 2.708 0.176 1.00 0.00 H new ATOM 0 HD2 PHE A 318 -5.588 4.870 3.721 1.00 0.00 H new ATOM 0 HE1 PHE A 318 -6.505 3.852 -0.995 1.00 0.00 H new ATOM 0 HE2 PHE A 318 -7.418 6.025 2.557 1.00 0.00 H new ATOM 0 HZ PHE A 318 -7.883 5.515 0.190 1.00 0.00 H new ATOM 366 N HIS A 319 -1.333 3.894 4.386 1.00 0.00 N ATOM 367 CA HIS A 319 -0.405 3.654 5.495 1.00 0.00 C ATOM 368 C HIS A 319 -0.942 2.621 6.479 1.00 0.00 C ATOM 369 O HIS A 319 -0.716 2.749 7.682 1.00 0.00 O ATOM 370 CB HIS A 319 -0.181 4.942 6.268 1.00 0.00 C ATOM 371 CG HIS A 319 1.015 5.745 5.875 1.00 0.00 C ATOM 372 ND1 HIS A 319 0.919 7.088 5.649 1.00 0.00 N ATOM 373 CD2 HIS A 319 2.320 5.423 5.728 1.00 0.00 C ATOM 374 CE1 HIS A 319 2.115 7.582 5.386 1.00 0.00 C ATOM 375 NE2 HIS A 319 2.987 6.588 5.426 1.00 0.00 N ATOM 0 H HIS A 319 -1.841 4.776 4.454 1.00 0.00 H new ATOM 0 HA HIS A 319 0.521 3.285 5.055 1.00 0.00 H new ATOM 0 HB2 HIS A 319 -1.066 5.568 6.156 1.00 0.00 H new ATOM 0 HB3 HIS A 319 -0.097 4.696 7.327 1.00 0.00 H new ATOM 0 HD2 HIS A 319 2.755 4.440 5.828 1.00 0.00 H new ATOM 0 HE1 HIS A 319 2.342 8.617 5.175 1.00 0.00 H new ATOM 0 HE2 HIS A 319 3.990 6.672 5.260 1.00 0.00 H new ATOM 383 N LEU A 320 -1.668 1.625 5.990 1.00 0.00 N ATOM 384 CA LEU A 320 -2.212 0.589 6.863 1.00 0.00 C ATOM 385 C LEU A 320 -3.235 1.173 7.827 1.00 0.00 C ATOM 386 O LEU A 320 -4.441 1.043 7.629 1.00 0.00 O ATOM 387 CB LEU A 320 -1.085 -0.072 7.647 1.00 0.00 C ATOM 388 CG LEU A 320 0.041 -0.667 6.801 1.00 0.00 C ATOM 389 CD1 LEU A 320 0.569 -1.921 7.444 1.00 0.00 C ATOM 390 CD2 LEU A 320 -0.442 -0.963 5.396 1.00 0.00 C ATOM 0 H LEU A 320 -1.894 1.511 5.002 1.00 0.00 H new ATOM 0 HA LEU A 320 -2.709 -0.156 6.242 1.00 0.00 H new ATOM 0 HB2 LEU A 320 -0.656 0.665 8.325 1.00 0.00 H new ATOM 0 HB3 LEU A 320 -1.510 -0.864 8.264 1.00 0.00 H new ATOM 0 HG LEU A 320 0.847 0.065 6.740 1.00 0.00 H new ATOM 0 HD11 LEU A 320 1.370 -2.334 6.831 1.00 0.00 H new ATOM 0 HD12 LEU A 320 0.955 -1.686 8.436 1.00 0.00 H new ATOM 0 HD13 LEU A 320 -0.235 -2.652 7.531 1.00 0.00 H new ATOM 0 HD21 LEU A 320 0.375 -1.386 4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 320 -1.265 -1.676 5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 320 -0.784 -0.040 4.927 1.00 0.00 H new ATOM 402 N ALA A 321 -2.735 1.814 8.876 1.00 0.00 N ATOM 403 CA ALA A 321 -3.585 2.431 9.878 1.00 0.00 C ATOM 404 C ALA A 321 -4.262 3.679 9.327 1.00 0.00 C ATOM 405 O ALA A 321 -5.217 4.186 9.915 1.00 0.00 O ATOM 406 CB ALA A 321 -2.768 2.763 11.114 1.00 0.00 C ATOM 0 H ALA A 321 -1.736 1.919 9.053 1.00 0.00 H new ATOM 0 HA ALA A 321 -4.368 1.724 10.152 1.00 0.00 H new ATOM 0 HB1 ALA A 321 -3.412 3.226 11.862 1.00 0.00 H new ATOM 0 HB2 ALA A 321 -2.337 1.849 11.522 1.00 0.00 H new ATOM 0 HB3 ALA A 321 -1.968 3.453 10.847 1.00 0.00 H new ATOM 412 N CYS A 322 -3.764 4.173 8.195 1.00 0.00 N ATOM 413 CA CYS A 322 -4.352 5.368 7.573 1.00 0.00 C ATOM 414 C CYS A 322 -5.665 5.011 6.892 1.00 0.00 C ATOM 415 O CYS A 322 -6.363 5.872 6.355 1.00 0.00 O ATOM 416 CB CYS A 322 -3.398 6.004 6.559 1.00 0.00 C ATOM 417 SG CYS A 322 -2.214 7.179 7.292 1.00 0.00 S ATOM 0 H CYS A 322 -2.969 3.776 7.694 1.00 0.00 H new ATOM 0 HA CYS A 322 -4.537 6.095 8.363 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -2.844 5.214 6.052 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -3.984 6.521 5.799 1.00 0.00 H new ATOM 0 HG CYS A 322 -1.103 7.153 6.618 1.00 0.00 H new ATOM 422 N LEU A 323 -5.983 3.727 6.923 1.00 0.00 N ATOM 423 CA LEU A 323 -7.205 3.208 6.327 1.00 0.00 C ATOM 424 C LEU A 323 -8.376 3.352 7.283 1.00 0.00 C ATOM 425 O LEU A 323 -8.168 3.496 8.490 1.00 0.00 O ATOM 426 CB LEU A 323 -7.013 1.728 6.005 1.00 0.00 C ATOM 427 CG LEU A 323 -6.414 1.428 4.652 1.00 0.00 C ATOM 428 CD1 LEU A 323 -5.837 0.028 4.639 1.00 0.00 C ATOM 429 CD2 LEU A 323 -7.465 1.592 3.580 1.00 0.00 C ATOM 0 H LEU A 323 -5.401 3.014 7.362 1.00 0.00 H new ATOM 0 HA LEU A 323 -7.418 3.775 5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 323 -6.375 1.288 6.771 1.00 0.00 H new ATOM 0 HB3 LEU A 323 -7.981 1.231 6.072 1.00 0.00 H new ATOM 0 HG LEU A 323 -5.605 2.130 4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 323 -5.407 -0.179 3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 323 -5.061 -0.053 5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 323 -6.627 -0.693 4.849 1.00 0.00 H new ATOM 0 HD21 LEU A 323 -7.028 1.374 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 323 -8.289 0.904 3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 323 -7.838 2.616 3.590 1.00 0.00 H new ATOM 441 N SER A 324 -9.605 3.335 6.759 1.00 0.00 N ATOM 442 CA SER A 324 -10.765 3.409 7.641 1.00 0.00 C ATOM 443 C SER A 324 -10.567 2.332 8.702 1.00 0.00 C ATOM 444 O SER A 324 -10.599 2.622 9.899 1.00 0.00 O ATOM 445 CB SER A 324 -12.087 3.247 6.876 1.00 0.00 C ATOM 446 OG SER A 324 -12.401 4.421 6.148 1.00 0.00 O ATOM 0 H SER A 324 -9.816 3.273 5.763 1.00 0.00 H new ATOM 0 HA SER A 324 -10.838 4.393 8.105 1.00 0.00 H new ATOM 0 HB2 SER A 324 -12.015 2.400 6.193 1.00 0.00 H new ATOM 0 HB3 SER A 324 -12.891 3.024 7.577 1.00 0.00 H new ATOM 0 HG SER A 324 -13.246 4.292 5.668 1.00 0.00 H new ATOM 452 N PRO A 325 -10.351 1.065 8.280 1.00 0.00 N ATOM 453 CA PRO A 325 -10.023 -0.016 9.172 1.00 0.00 C ATOM 454 C PRO A 325 -8.520 -0.259 9.075 1.00 0.00 C ATOM 455 O PRO A 325 -7.999 -0.483 7.983 1.00 0.00 O ATOM 456 CB PRO A 325 -10.814 -1.175 8.594 1.00 0.00 C ATOM 457 CG PRO A 325 -10.899 -0.896 7.120 1.00 0.00 C ATOM 458 CD PRO A 325 -10.464 0.542 6.906 1.00 0.00 C ATOM 0 HA PRO A 325 -10.256 0.154 10.223 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -10.318 -2.126 8.787 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -11.806 -1.237 9.041 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -10.258 -1.578 6.562 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -11.916 -1.047 6.758 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -9.515 0.601 6.373 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -11.194 1.101 6.321 1.00 0.00 H new ATOM 466 N PRO A 326 -7.795 -0.230 10.192 1.00 0.00 N ATOM 467 CA PRO A 326 -6.348 -0.371 10.162 1.00 0.00 C ATOM 468 C PRO A 326 -5.881 -1.803 10.000 1.00 0.00 C ATOM 469 O PRO A 326 -6.348 -2.716 10.681 1.00 0.00 O ATOM 470 CB PRO A 326 -5.934 0.200 11.498 1.00 0.00 C ATOM 471 CG PRO A 326 -7.051 -0.171 12.404 1.00 0.00 C ATOM 472 CD PRO A 326 -8.309 -0.123 11.566 1.00 0.00 C ATOM 0 HA PRO A 326 -5.904 0.135 9.304 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -4.987 -0.221 11.837 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -5.802 1.281 11.447 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -6.899 -1.166 12.821 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -7.117 0.520 13.244 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -8.987 -0.941 11.808 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -8.861 0.804 11.719 1.00 0.00 H new ATOM 480 N LEU A 327 -4.947 -1.976 9.082 1.00 0.00 N ATOM 481 CA LEU A 327 -4.383 -3.275 8.780 1.00 0.00 C ATOM 482 C LEU A 327 -3.352 -3.691 9.814 1.00 0.00 C ATOM 483 O LEU A 327 -2.148 -3.563 9.586 1.00 0.00 O ATOM 484 CB LEU A 327 -3.748 -3.250 7.396 1.00 0.00 C ATOM 485 CG LEU A 327 -4.619 -2.621 6.324 1.00 0.00 C ATOM 486 CD1 LEU A 327 -3.886 -2.544 5.007 1.00 0.00 C ATOM 487 CD2 LEU A 327 -5.898 -3.409 6.172 1.00 0.00 C ATOM 0 H LEU A 327 -4.558 -1.216 8.524 1.00 0.00 H new ATOM 0 HA LEU A 327 -5.191 -4.006 8.802 1.00 0.00 H new ATOM 0 HB2 LEU A 327 -2.806 -2.704 7.450 1.00 0.00 H new ATOM 0 HB3 LEU A 327 -3.507 -4.271 7.100 1.00 0.00 H new ATOM 0 HG LEU A 327 -4.863 -1.604 6.631 1.00 0.00 H new ATOM 0 HD11 LEU A 327 -4.533 -2.089 4.257 1.00 0.00 H new ATOM 0 HD12 LEU A 327 -2.987 -1.939 5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 327 -3.608 -3.548 4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 327 -6.518 -2.951 5.401 1.00 0.00 H new ATOM 0 HD22 LEU A 327 -5.662 -4.434 5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 327 -6.439 -3.411 7.118 1.00 0.00 H new ATOM 499 N ARG A 328 -3.827 -4.173 10.958 1.00 0.00 N ATOM 500 CA ARG A 328 -2.936 -4.648 12.010 1.00 0.00 C ATOM 501 C ARG A 328 -1.946 -5.627 11.402 1.00 0.00 C ATOM 502 O ARG A 328 -0.869 -5.883 11.940 1.00 0.00 O ATOM 503 CB ARG A 328 -3.739 -5.341 13.105 1.00 0.00 C ATOM 504 CG ARG A 328 -4.822 -4.475 13.705 1.00 0.00 C ATOM 505 CD ARG A 328 -5.609 -5.222 14.770 1.00 0.00 C ATOM 506 NE ARG A 328 -6.239 -6.429 14.243 1.00 0.00 N ATOM 507 CZ ARG A 328 -7.029 -7.223 14.960 1.00 0.00 C ATOM 508 NH1 ARG A 328 -7.288 -6.937 16.230 1.00 0.00 N ATOM 509 NH2 ARG A 328 -7.564 -8.304 14.410 1.00 0.00 N ATOM 0 H ARG A 328 -4.820 -4.245 11.180 1.00 0.00 H new ATOM 0 HA ARG A 328 -2.405 -3.804 12.450 1.00 0.00 H new ATOM 0 HB2 ARG A 328 -4.193 -6.243 12.695 1.00 0.00 H new ATOM 0 HB3 ARG A 328 -3.060 -5.658 13.896 1.00 0.00 H new ATOM 0 HG2 ARG A 328 -4.375 -3.582 14.141 1.00 0.00 H new ATOM 0 HG3 ARG A 328 -5.499 -4.141 12.919 1.00 0.00 H new ATOM 0 HD2 ARG A 328 -4.943 -5.490 15.591 1.00 0.00 H new ATOM 0 HD3 ARG A 328 -6.375 -4.565 15.182 1.00 0.00 H new ATOM 0 HE ARG A 328 -6.063 -6.677 13.269 1.00 0.00 H new ATOM 0 HH11 ARG A 328 -6.881 -6.106 16.659 1.00 0.00 H new ATOM 0 HH12 ARG A 328 -7.894 -7.548 16.777 1.00 0.00 H new ATOM 0 HH21 ARG A 328 -7.370 -8.529 13.434 1.00 0.00 H new ATOM 0 HH22 ARG A 328 -8.169 -8.911 14.963 1.00 0.00 H new ATOM 523 N GLU A 329 -2.354 -6.165 10.262 1.00 0.00 N ATOM 524 CA GLU A 329 -1.561 -7.111 9.498 1.00 0.00 C ATOM 525 C GLU A 329 -2.071 -7.143 8.066 1.00 0.00 C ATOM 526 O GLU A 329 -3.217 -7.515 7.808 1.00 0.00 O ATOM 527 CB GLU A 329 -1.620 -8.503 10.128 1.00 0.00 C ATOM 528 CG GLU A 329 -3.018 -8.922 10.542 1.00 0.00 C ATOM 529 CD GLU A 329 -3.040 -10.265 11.243 1.00 0.00 C ATOM 530 OE1 GLU A 329 -2.797 -10.299 12.468 1.00 0.00 O ATOM 531 OE2 GLU A 329 -3.303 -11.284 10.569 1.00 0.00 O ATOM 0 H GLU A 329 -3.257 -5.953 9.838 1.00 0.00 H new ATOM 0 HA GLU A 329 -0.518 -6.794 9.502 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -1.226 -9.231 9.419 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -0.969 -8.525 11.002 1.00 0.00 H new ATOM 0 HG2 GLU A 329 -3.440 -8.164 11.203 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -3.656 -8.966 9.660 1.00 0.00 H new ATOM 538 N ILE A 330 -1.206 -6.739 7.149 1.00 0.00 N ATOM 539 CA ILE A 330 -1.539 -6.658 5.735 1.00 0.00 C ATOM 540 C ILE A 330 -2.405 -7.817 5.230 1.00 0.00 C ATOM 541 O ILE A 330 -2.140 -8.987 5.509 1.00 0.00 O ATOM 542 CB ILE A 330 -0.260 -6.533 4.882 1.00 0.00 C ATOM 543 CG1 ILE A 330 0.383 -5.167 5.134 1.00 0.00 C ATOM 544 CG2 ILE A 330 -0.567 -6.717 3.401 1.00 0.00 C ATOM 545 CD1 ILE A 330 -0.576 -4.022 4.965 1.00 0.00 C ATOM 0 H ILE A 330 -0.250 -6.457 7.365 1.00 0.00 H new ATOM 0 HA ILE A 330 -2.145 -5.759 5.625 1.00 0.00 H new ATOM 0 HB ILE A 330 0.436 -7.320 5.172 1.00 0.00 H new ATOM 0 HG12 ILE A 330 0.791 -5.145 6.145 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.221 -5.035 4.449 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.353 -6.624 2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 330 -0.998 -7.705 3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 330 -1.276 -5.954 3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 330 -0.058 -3.082 5.158 1.00 0.00 H new ATOM 0 HD12 ILE A 330 -0.965 -4.020 3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -1.402 -4.132 5.668 1.00 0.00 H new ATOM 557 N PRO A 331 -3.470 -7.465 4.471 1.00 0.00 N ATOM 558 CA PRO A 331 -4.423 -8.420 3.876 1.00 0.00 C ATOM 559 C PRO A 331 -3.741 -9.554 3.113 1.00 0.00 C ATOM 560 O PRO A 331 -2.515 -9.595 3.000 1.00 0.00 O ATOM 561 CB PRO A 331 -5.219 -7.547 2.911 1.00 0.00 C ATOM 562 CG PRO A 331 -5.179 -6.198 3.526 1.00 0.00 C ATOM 563 CD PRO A 331 -3.832 -6.073 4.151 1.00 0.00 C ATOM 0 HA PRO A 331 -5.021 -8.920 4.638 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -4.774 -7.545 1.916 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -6.243 -7.905 2.802 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -5.335 -5.422 2.776 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -5.967 -6.085 4.271 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -3.114 -5.618 3.469 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -3.861 -5.450 5.045 1.00 0.00 H new ATOM 571 N SER A 332 -4.549 -10.464 2.569 1.00 0.00 N ATOM 572 CA SER A 332 -4.024 -11.603 1.819 1.00 0.00 C ATOM 573 C SER A 332 -4.256 -11.434 0.321 1.00 0.00 C ATOM 574 O SER A 332 -5.306 -10.951 -0.104 1.00 0.00 O ATOM 575 CB SER A 332 -4.671 -12.897 2.299 1.00 0.00 C ATOM 576 OG SER A 332 -5.994 -13.021 1.809 1.00 0.00 O ATOM 0 H SER A 332 -5.567 -10.434 2.634 1.00 0.00 H new ATOM 0 HA SER A 332 -2.949 -11.650 1.996 1.00 0.00 H new ATOM 0 HB2 SER A 332 -4.077 -13.748 1.968 1.00 0.00 H new ATOM 0 HB3 SER A 332 -4.680 -12.919 3.389 1.00 0.00 H new ATOM 0 HG SER A 332 -6.385 -13.860 2.131 1.00 0.00 H new ATOM 582 N GLY A 333 -3.269 -11.843 -0.476 1.00 0.00 N ATOM 583 CA GLY A 333 -3.378 -11.729 -1.920 1.00 0.00 C ATOM 584 C GLY A 333 -3.638 -10.306 -2.367 1.00 0.00 C ATOM 585 O GLY A 333 -2.844 -9.408 -2.088 1.00 0.00 O ATOM 0 H GLY A 333 -2.395 -12.252 -0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 333 -2.459 -12.090 -2.381 1.00 0.00 H new ATOM 0 HA3 GLY A 333 -4.185 -12.371 -2.273 1.00 0.00 H new ATOM 589 N THR A 334 -4.750 -10.099 -3.068 1.00 0.00 N ATOM 590 CA THR A 334 -5.119 -8.771 -3.539 1.00 0.00 C ATOM 591 C THR A 334 -5.758 -7.968 -2.411 1.00 0.00 C ATOM 592 O THR A 334 -5.836 -8.443 -1.278 1.00 0.00 O ATOM 593 CB THR A 334 -6.092 -8.841 -4.730 1.00 0.00 C ATOM 594 OG1 THR A 334 -7.272 -9.560 -4.356 1.00 0.00 O ATOM 595 CG2 THR A 334 -5.435 -9.521 -5.923 1.00 0.00 C ATOM 0 H THR A 334 -5.409 -10.835 -3.321 1.00 0.00 H new ATOM 0 HA THR A 334 -4.205 -8.278 -3.871 1.00 0.00 H new ATOM 0 HB THR A 334 -6.362 -7.823 -5.013 1.00 0.00 H new ATOM 0 HG1 THR A 334 -7.887 -9.599 -5.118 1.00 0.00 H new ATOM 0 HG21 THR A 334 -6.140 -9.560 -6.753 1.00 0.00 H new ATOM 0 HG22 THR A 334 -4.552 -8.957 -6.223 1.00 0.00 H new ATOM 0 HG23 THR A 334 -5.142 -10.534 -5.648 1.00 0.00 H new ATOM 603 N TRP A 335 -6.222 -6.759 -2.720 1.00 0.00 N ATOM 604 CA TRP A 335 -6.839 -5.908 -1.709 1.00 0.00 C ATOM 605 C TRP A 335 -7.396 -4.626 -2.315 1.00 0.00 C ATOM 606 O TRP A 335 -6.843 -4.086 -3.270 1.00 0.00 O ATOM 607 CB TRP A 335 -5.814 -5.567 -0.627 1.00 0.00 C ATOM 608 CG TRP A 335 -6.259 -4.493 0.315 1.00 0.00 C ATOM 609 CD1 TRP A 335 -6.968 -4.659 1.470 1.00 0.00 C ATOM 610 CD2 TRP A 335 -6.023 -3.085 0.187 1.00 0.00 C ATOM 611 NE1 TRP A 335 -7.165 -3.443 2.079 1.00 0.00 N ATOM 612 CE2 TRP A 335 -6.601 -2.465 1.308 1.00 0.00 C ATOM 613 CE3 TRP A 335 -5.373 -2.286 -0.762 1.00 0.00 C ATOM 614 CZ2 TRP A 335 -6.547 -1.094 1.511 1.00 0.00 C ATOM 615 CZ3 TRP A 335 -5.327 -0.920 -0.559 1.00 0.00 C ATOM 616 CH2 TRP A 335 -5.908 -0.337 0.570 1.00 0.00 C ATOM 0 H TRP A 335 -6.183 -6.351 -3.654 1.00 0.00 H new ATOM 0 HA TRP A 335 -7.672 -6.458 -1.271 1.00 0.00 H new ATOM 0 HB2 TRP A 335 -5.591 -6.468 -0.055 1.00 0.00 H new ATOM 0 HB3 TRP A 335 -4.886 -5.255 -1.106 1.00 0.00 H new ATOM 0 HD1 TRP A 335 -7.322 -5.606 1.849 1.00 0.00 H new ATOM 0 HE1 TRP A 335 -7.653 -3.294 2.962 1.00 0.00 H new ATOM 0 HE3 TRP A 335 -4.917 -2.729 -1.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 -6.995 -0.640 2.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 -4.833 -0.292 -1.286 1.00 0.00 H new ATOM 0 HH2 TRP A 335 -5.851 0.733 0.702 1.00 0.00 H new ATOM 627 N ARG A 336 -8.500 -4.148 -1.746 1.00 0.00 N ATOM 628 CA ARG A 336 -9.140 -2.925 -2.205 1.00 0.00 C ATOM 629 C ARG A 336 -9.224 -1.902 -1.077 1.00 0.00 C ATOM 630 O ARG A 336 -9.260 -2.266 0.097 1.00 0.00 O ATOM 631 CB ARG A 336 -10.539 -3.241 -2.714 1.00 0.00 C ATOM 632 CG ARG A 336 -10.544 -4.151 -3.923 1.00 0.00 C ATOM 633 CD ARG A 336 -11.819 -3.964 -4.710 1.00 0.00 C ATOM 634 NE ARG A 336 -12.074 -5.075 -5.623 1.00 0.00 N ATOM 635 CZ ARG A 336 -12.434 -4.919 -6.895 1.00 0.00 C ATOM 636 NH1 ARG A 336 -12.577 -3.701 -7.403 1.00 0.00 N ATOM 637 NH2 ARG A 336 -12.646 -5.981 -7.660 1.00 0.00 N ATOM 0 H ARG A 336 -8.971 -4.596 -0.960 1.00 0.00 H new ATOM 0 HA ARG A 336 -8.542 -2.502 -3.012 1.00 0.00 H new ATOM 0 HB2 ARG A 336 -11.112 -3.708 -1.914 1.00 0.00 H new ATOM 0 HB3 ARG A 336 -11.045 -2.309 -2.967 1.00 0.00 H new ATOM 0 HG2 ARG A 336 -9.683 -3.934 -4.555 1.00 0.00 H new ATOM 0 HG3 ARG A 336 -10.453 -5.190 -3.606 1.00 0.00 H new ATOM 0 HD2 ARG A 336 -12.657 -3.863 -4.021 1.00 0.00 H new ATOM 0 HD3 ARG A 336 -11.760 -3.036 -5.278 1.00 0.00 H new ATOM 0 HE ARG A 336 -11.970 -6.025 -5.266 1.00 0.00 H new ATOM 0 HH11 ARG A 336 -12.411 -2.882 -6.818 1.00 0.00 H new ATOM 0 HH12 ARG A 336 -12.853 -3.584 -8.378 1.00 0.00 H new ATOM 0 HH21 ARG A 336 -12.533 -6.918 -7.274 1.00 0.00 H new ATOM 0 HH22 ARG A 336 -12.922 -5.861 -8.635 1.00 0.00 H new ATOM 651 N CYS A 337 -9.259 -0.626 -1.442 1.00 0.00 N ATOM 652 CA CYS A 337 -9.348 0.445 -0.456 1.00 0.00 C ATOM 653 C CYS A 337 -10.802 0.661 -0.057 1.00 0.00 C ATOM 654 O CYS A 337 -11.703 0.175 -0.728 1.00 0.00 O ATOM 655 CB CYS A 337 -8.752 1.737 -1.013 1.00 0.00 C ATOM 656 SG CYS A 337 -9.770 2.522 -2.298 1.00 0.00 S ATOM 0 H CYS A 337 -9.227 -0.308 -2.411 1.00 0.00 H new ATOM 0 HA CYS A 337 -8.777 0.158 0.427 1.00 0.00 H new ATOM 0 HB2 CYS A 337 -8.610 2.443 -0.194 1.00 0.00 H new ATOM 0 HB3 CYS A 337 -7.766 1.523 -1.425 1.00 0.00 H new ATOM 0 HG CYS A 337 -9.052 2.709 -3.366 1.00 0.00 H new ATOM 661 N SER A 338 -11.020 1.407 1.023 1.00 0.00 N ATOM 662 CA SER A 338 -12.368 1.666 1.535 1.00 0.00 C ATOM 663 C SER A 338 -13.403 1.882 0.426 1.00 0.00 C ATOM 664 O SER A 338 -14.481 1.292 0.465 1.00 0.00 O ATOM 665 CB SER A 338 -12.359 2.877 2.465 1.00 0.00 C ATOM 666 OG SER A 338 -11.412 2.716 3.506 1.00 0.00 O ATOM 0 H SER A 338 -10.276 1.847 1.565 1.00 0.00 H new ATOM 0 HA SER A 338 -12.664 0.772 2.083 1.00 0.00 H new ATOM 0 HB2 SER A 338 -12.126 3.776 1.894 1.00 0.00 H new ATOM 0 HB3 SER A 338 -13.352 3.019 2.892 1.00 0.00 H new ATOM 0 HG SER A 338 -11.535 3.424 4.172 1.00 0.00 H new ATOM 672 N SER A 339 -13.086 2.727 -0.551 1.00 0.00 N ATOM 673 CA SER A 339 -14.013 3.010 -1.646 1.00 0.00 C ATOM 674 C SER A 339 -14.279 1.773 -2.506 1.00 0.00 C ATOM 675 O SER A 339 -15.418 1.305 -2.615 1.00 0.00 O ATOM 676 CB SER A 339 -13.474 4.142 -2.507 1.00 0.00 C ATOM 677 OG SER A 339 -12.235 3.798 -3.099 1.00 0.00 O ATOM 0 H SER A 339 -12.199 3.227 -0.608 1.00 0.00 H new ATOM 0 HA SER A 339 -14.963 3.311 -1.204 1.00 0.00 H new ATOM 0 HB2 SER A 339 -14.196 4.383 -3.287 1.00 0.00 H new ATOM 0 HB3 SER A 339 -13.351 5.037 -1.898 1.00 0.00 H new ATOM 0 HG SER A 339 -11.702 3.276 -2.463 1.00 0.00 H new ATOM 683 N CYS A 340 -13.224 1.236 -3.107 1.00 0.00 N ATOM 684 CA CYS A 340 -13.345 0.066 -3.952 1.00 0.00 C ATOM 685 C CYS A 340 -13.913 -1.094 -3.144 1.00 0.00 C ATOM 686 O CYS A 340 -14.331 -2.112 -3.693 1.00 0.00 O ATOM 687 CB CYS A 340 -11.982 -0.304 -4.537 1.00 0.00 C ATOM 688 SG CYS A 340 -11.179 1.044 -5.471 1.00 0.00 S ATOM 0 H CYS A 340 -12.274 1.598 -3.021 1.00 0.00 H new ATOM 0 HA CYS A 340 -14.024 0.286 -4.776 1.00 0.00 H new ATOM 0 HB2 CYS A 340 -11.322 -0.612 -3.726 1.00 0.00 H new ATOM 0 HB3 CYS A 340 -12.103 -1.165 -5.194 1.00 0.00 H new ATOM 0 HG CYS A 340 -10.527 1.813 -4.650 1.00 0.00 H new ATOM 693 N LEU A 341 -13.916 -0.914 -1.831 1.00 0.00 N ATOM 694 CA LEU A 341 -14.419 -1.910 -0.905 1.00 0.00 C ATOM 695 C LEU A 341 -15.926 -1.800 -0.736 1.00 0.00 C ATOM 696 O LEU A 341 -16.648 -2.786 -0.884 1.00 0.00 O ATOM 697 CB LEU A 341 -13.722 -1.750 0.435 1.00 0.00 C ATOM 698 CG LEU A 341 -12.348 -2.404 0.522 1.00 0.00 C ATOM 699 CD1 LEU A 341 -11.656 -2.027 1.812 1.00 0.00 C ATOM 700 CD2 LEU A 341 -12.478 -3.905 0.389 1.00 0.00 C ATOM 0 H LEU A 341 -13.567 -0.068 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 341 -14.207 -2.899 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 341 -13.617 -0.686 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 341 -14.359 -2.171 1.213 1.00 0.00 H new ATOM 0 HG LEU A 341 -11.733 -2.039 -0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 341 -10.677 -2.505 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 341 -11.534 -0.945 1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 341 -12.258 -2.359 2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 341 -11.491 -4.363 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 341 -13.108 -4.288 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 341 -12.929 -4.147 -0.573 1.00 0.00 H new ATOM 803 N ALA B 1 -1.251 -8.244 0.148 1.00 0.00 N ATOM 804 CA ALA B 1 -2.146 -7.139 -0.276 1.00 0.00 C ATOM 805 C ALA B 1 -1.388 -6.093 -1.085 1.00 0.00 C ATOM 806 O ALA B 1 -1.912 -5.017 -1.378 1.00 0.00 O ATOM 807 CB ALA B 1 -2.808 -6.503 0.933 1.00 0.00 C ATOM 0 H1 ALA B 1 -1.795 -8.940 0.697 1.00 0.00 H new ATOM 0 H2 ALA B 1 -0.846 -8.705 -0.692 1.00 0.00 H new ATOM 0 H3 ALA B 1 -0.484 -7.863 0.737 1.00 0.00 H new ATOM 0 HA ALA B 1 -2.920 -7.559 -0.918 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -3.462 -5.694 0.606 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -3.396 -7.253 1.463 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -2.043 -6.105 1.599 1.00 0.00 H new ATOM 815 N ARG B 2 -0.146 -6.421 -1.434 1.00 0.00 N ATOM 816 CA ARG B 2 0.702 -5.531 -2.223 1.00 0.00 C ATOM 817 C ARG B 2 0.983 -4.220 -1.493 1.00 0.00 C ATOM 818 O ARG B 2 0.374 -3.192 -1.789 1.00 0.00 O ATOM 819 CB ARG B 2 0.055 -5.247 -3.579 1.00 0.00 C ATOM 820 CG ARG B 2 -0.061 -6.476 -4.465 1.00 0.00 C ATOM 821 CD ARG B 2 -0.841 -6.178 -5.735 1.00 0.00 C ATOM 822 NE ARG B 2 -0.911 -7.336 -6.621 1.00 0.00 N ATOM 823 CZ ARG B 2 -1.853 -7.504 -7.543 1.00 0.00 C ATOM 824 NH1 ARG B 2 -2.807 -6.594 -7.693 1.00 0.00 N ATOM 825 NH2 ARG B 2 -1.843 -8.581 -8.315 1.00 0.00 N ATOM 0 H ARG B 2 0.298 -7.304 -1.180 1.00 0.00 H new ATOM 0 HA ARG B 2 1.655 -6.037 -2.376 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -0.939 -4.830 -3.418 1.00 0.00 H new ATOM 0 HB3 ARG B 2 0.639 -4.488 -4.099 1.00 0.00 H new ATOM 0 HG2 ARG B 2 0.935 -6.834 -4.725 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -0.554 -7.277 -3.914 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -1.850 -5.860 -5.474 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -0.372 -5.347 -6.262 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.196 -8.057 -6.527 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -2.818 -5.764 -7.100 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.529 -6.724 -8.401 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -1.111 -9.283 -8.202 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -2.567 -8.708 -9.022 1.00 0.00 H new ATOM 839 N THR B 3 1.910 -4.261 -0.540 1.00 0.00 N ATOM 840 CA THR B 3 2.283 -3.069 0.215 1.00 0.00 C ATOM 841 C THR B 3 3.787 -2.827 0.104 1.00 0.00 C ATOM 842 O THR B 3 4.593 -3.599 0.625 1.00 0.00 O ATOM 843 CB THR B 3 1.879 -3.172 1.703 1.00 0.00 C ATOM 844 OG1 THR B 3 2.910 -3.819 2.458 1.00 0.00 O ATOM 845 CG2 THR B 3 0.580 -3.947 1.852 1.00 0.00 C ATOM 0 H THR B 3 2.416 -5.105 -0.273 1.00 0.00 H new ATOM 0 HA THR B 3 1.741 -2.228 -0.217 1.00 0.00 H new ATOM 0 HB THR B 3 1.736 -2.161 2.085 1.00 0.00 H new ATOM 0 HG1 THR B 3 3.546 -4.245 1.846 1.00 0.00 H new ATOM 0 HG21 THR B 3 0.312 -4.009 2.907 1.00 0.00 H new ATOM 0 HG22 THR B 3 -0.213 -3.436 1.306 1.00 0.00 H new ATOM 0 HG23 THR B 3 0.708 -4.952 1.451 1.00 0.00 H new ATOM 853 N LYS B 4 4.156 -1.754 -0.587 1.00 0.00 N ATOM 854 CA LYS B 4 5.562 -1.419 -0.789 1.00 0.00 C ATOM 855 C LYS B 4 5.947 -0.145 -0.043 1.00 0.00 C ATOM 856 O LYS B 4 5.097 0.690 0.264 1.00 0.00 O ATOM 857 CB LYS B 4 5.846 -1.262 -2.287 1.00 0.00 C ATOM 858 CG LYS B 4 4.888 -0.316 -2.995 1.00 0.00 C ATOM 859 CD LYS B 4 5.363 1.127 -2.921 1.00 0.00 C ATOM 860 CE LYS B 4 4.275 2.096 -3.350 1.00 0.00 C ATOM 861 NZ LYS B 4 3.782 1.807 -4.724 1.00 0.00 N ATOM 0 H LYS B 4 3.501 -1.101 -1.017 1.00 0.00 H new ATOM 0 HA LYS B 4 6.166 -2.232 -0.387 1.00 0.00 H new ATOM 0 HB2 LYS B 4 6.865 -0.898 -2.418 1.00 0.00 H new ATOM 0 HB3 LYS B 4 5.793 -2.241 -2.762 1.00 0.00 H new ATOM 0 HG2 LYS B 4 4.789 -0.613 -4.039 1.00 0.00 H new ATOM 0 HG3 LYS B 4 3.898 -0.397 -2.545 1.00 0.00 H new ATOM 0 HD2 LYS B 4 5.674 1.356 -1.902 1.00 0.00 H new ATOM 0 HD3 LYS B 4 6.238 1.256 -3.558 1.00 0.00 H new ATOM 0 HE2 LYS B 4 3.443 2.042 -2.647 1.00 0.00 H new ATOM 0 HE3 LYS B 4 4.660 3.115 -3.310 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 3.866 2.662 -5.310 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 4.350 1.043 -5.143 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 2.785 1.513 -4.681 1.00 0.00 H new ATOM 875 N GLN B 5 7.239 -0.007 0.245 1.00 0.00 N ATOM 876 CA GLN B 5 7.750 1.164 0.949 1.00 0.00 C ATOM 877 C GLN B 5 8.259 2.207 -0.042 1.00 0.00 C ATOM 878 O GLN B 5 9.314 2.034 -0.653 1.00 0.00 O ATOM 879 CB GLN B 5 8.873 0.761 1.907 1.00 0.00 C ATOM 880 CG GLN B 5 8.452 -0.275 2.936 1.00 0.00 C ATOM 881 CD GLN B 5 9.571 -0.635 3.893 1.00 0.00 C ATOM 882 OE1 GLN B 5 9.736 -0.006 4.938 1.00 0.00 O ATOM 883 NE2 GLN B 5 10.348 -1.653 3.540 1.00 0.00 N ATOM 0 H GLN B 5 7.952 -0.694 0.000 1.00 0.00 H new ATOM 0 HA GLN B 5 6.934 1.600 1.525 1.00 0.00 H new ATOM 0 HB2 GLN B 5 9.709 0.368 1.329 1.00 0.00 H new ATOM 0 HB3 GLN B 5 9.234 1.650 2.425 1.00 0.00 H new ATOM 0 HG2 GLN B 5 7.603 0.106 3.503 1.00 0.00 H new ATOM 0 HG3 GLN B 5 8.114 -1.175 2.423 1.00 0.00 H new ATOM 0 HE21 GLN B 5 10.175 -2.147 2.664 1.00 0.00 H new ATOM 0 HE22 GLN B 5 11.117 -1.941 4.145 1.00 0.00 H new ATOM 892 N THR B 6 7.502 3.288 -0.194 1.00 0.00 N ATOM 893 CA THR B 6 7.868 4.357 -1.117 1.00 0.00 C ATOM 894 C THR B 6 8.588 5.492 -0.393 1.00 0.00 C ATOM 895 O THR B 6 8.785 5.442 0.821 1.00 0.00 O ATOM 896 CB THR B 6 6.623 4.922 -1.827 1.00 0.00 C ATOM 897 OG1 THR B 6 7.013 5.839 -2.855 1.00 0.00 O ATOM 898 CG2 THR B 6 5.714 5.628 -0.833 1.00 0.00 C ATOM 0 H THR B 6 6.630 3.448 0.311 1.00 0.00 H new ATOM 0 HA THR B 6 8.541 3.924 -1.857 1.00 0.00 H new ATOM 0 HB THR B 6 6.079 4.090 -2.274 1.00 0.00 H new ATOM 0 HG1 THR B 6 6.222 6.309 -3.192 1.00 0.00 H new ATOM 0 HG21 THR B 6 4.840 6.020 -1.354 1.00 0.00 H new ATOM 0 HG22 THR B 6 5.393 4.921 -0.068 1.00 0.00 H new ATOM 0 HG23 THR B 6 6.256 6.449 -0.364 1.00 0.00 H new