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 -119:sc= 0.752 USER MOD Set 1.2: A 314 CYS SG : rot 143:sc= -0.269 USER MOD Set 1.3: A 337 CYS SG : rot -46:sc= 0.551 USER MOD Set 1.4: A 340 CYS SG : rot 147:sc= 0.519 USER MOD Set 2.1: A 299 CYS SG : rot -136:sc= -3.57! USER MOD Set 2.2: A 302 CYS SG : rot -113:sc= -1.35 USER MOD Set 2.3: A 319 HIS : no HD1:sc= -1.61! C(o=-11!,f=-13!) USER MOD Set 2.4: A 322 CYS SG : rot 152:sc= -3.99! USER MOD Single : A 295 ASN : amide:sc= -2.9 K(o=-2.9,f=-6.5!) USER MOD Single : A 310 CYS SG : rot -41:sc= -0.155 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= -0.0164 USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 175:sc= -0.451 (180deg=-0.478) USER MOD Single : B 3 THR OG1 : rot -15:sc= 0.762! USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 THR OG1 : rot -110:sc= -0.442 USER MOD ----------------------------------------------------------------- ATOM 43 N ASN A 295 1.887 1.723 -7.381 1.00 0.00 N ATOM 44 CA ASN A 295 0.985 2.861 -7.249 1.00 0.00 C ATOM 45 C ASN A 295 1.704 4.165 -7.585 1.00 0.00 C ATOM 46 O ASN A 295 2.839 4.151 -8.061 1.00 0.00 O ATOM 47 CB ASN A 295 0.419 2.923 -5.829 1.00 0.00 C ATOM 48 CG ASN A 295 1.501 2.841 -4.770 1.00 0.00 C ATOM 49 OD1 ASN A 295 2.024 3.860 -4.321 1.00 0.00 O ATOM 50 ND2 ASN A 295 1.843 1.623 -4.366 1.00 0.00 N ATOM 0 HA ASN A 295 0.164 2.731 -7.954 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -0.138 3.851 -5.703 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -0.287 2.105 -5.687 1.00 0.00 H new ATOM 0 HD21 ASN A 295 2.566 1.505 -3.656 1.00 0.00 H new ATOM 0 HD22 ASN A 295 1.383 0.805 -4.766 1.00 0.00 H new ATOM 57 N GLU A 296 1.038 5.289 -7.333 1.00 0.00 N ATOM 58 CA GLU A 296 1.615 6.600 -7.618 1.00 0.00 C ATOM 59 C GLU A 296 2.519 7.063 -6.478 1.00 0.00 C ATOM 60 O GLU A 296 2.833 8.248 -6.364 1.00 0.00 O ATOM 61 CB GLU A 296 0.509 7.629 -7.855 1.00 0.00 C ATOM 62 CG GLU A 296 -0.471 7.230 -8.943 1.00 0.00 C ATOM 63 CD GLU A 296 -1.439 8.343 -9.294 1.00 0.00 C ATOM 64 OE1 GLU A 296 -2.378 8.583 -8.507 1.00 0.00 O ATOM 65 OE2 GLU A 296 -1.256 8.975 -10.356 1.00 0.00 O ATOM 0 H GLU A 296 0.100 5.319 -6.933 1.00 0.00 H new ATOM 0 HA GLU A 296 2.219 6.510 -8.521 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -0.037 7.783 -6.925 1.00 0.00 H new ATOM 0 HB3 GLU A 296 0.963 8.584 -8.120 1.00 0.00 H new ATOM 0 HG2 GLU A 296 0.082 6.940 -9.836 1.00 0.00 H new ATOM 0 HG3 GLU A 296 -1.033 6.354 -8.617 1.00 0.00 H new ATOM 72 N ASP A 297 2.940 6.110 -5.647 1.00 0.00 N ATOM 73 CA ASP A 297 3.804 6.395 -4.502 1.00 0.00 C ATOM 74 C ASP A 297 3.318 7.624 -3.736 1.00 0.00 C ATOM 75 O ASP A 297 3.997 8.648 -3.684 1.00 0.00 O ATOM 76 CB ASP A 297 5.262 6.581 -4.942 1.00 0.00 C ATOM 77 CG ASP A 297 5.436 6.546 -6.447 1.00 0.00 C ATOM 78 OD1 ASP A 297 5.495 5.434 -7.013 1.00 0.00 O ATOM 79 OD2 ASP A 297 5.516 7.632 -7.060 1.00 0.00 O ATOM 0 H ASP A 297 2.694 5.125 -5.747 1.00 0.00 H new ATOM 0 HA ASP A 297 3.755 5.535 -3.834 1.00 0.00 H new ATOM 0 HB2 ASP A 297 5.632 7.533 -4.561 1.00 0.00 H new ATOM 0 HB3 ASP A 297 5.874 5.799 -4.493 1.00 0.00 H new ATOM 84 N GLU A 298 2.135 7.509 -3.145 1.00 0.00 N ATOM 85 CA GLU A 298 1.548 8.598 -2.371 1.00 0.00 C ATOM 86 C GLU A 298 0.313 8.118 -1.622 1.00 0.00 C ATOM 87 O GLU A 298 -0.692 7.750 -2.229 1.00 0.00 O ATOM 88 CB GLU A 298 1.190 9.780 -3.279 1.00 0.00 C ATOM 89 CG GLU A 298 0.165 10.732 -2.680 1.00 0.00 C ATOM 90 CD GLU A 298 -0.146 11.900 -3.595 1.00 0.00 C ATOM 91 OE1 GLU A 298 -1.068 11.772 -4.428 1.00 0.00 O ATOM 92 OE2 GLU A 298 0.533 12.943 -3.479 1.00 0.00 O ATOM 0 H GLU A 298 1.560 6.668 -3.187 1.00 0.00 H new ATOM 0 HA GLU A 298 2.288 8.933 -1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 298 2.098 10.337 -3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 298 0.805 9.396 -4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 298 -0.754 10.185 -2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 298 0.537 11.110 -1.728 1.00 0.00 H new ATOM 99 N CYS A 299 0.401 8.122 -0.299 1.00 0.00 N ATOM 100 CA CYS A 299 -0.706 7.692 0.541 1.00 0.00 C ATOM 101 C CYS A 299 -1.923 8.593 0.342 1.00 0.00 C ATOM 102 O CYS A 299 -1.894 9.778 0.672 1.00 0.00 O ATOM 103 CB CYS A 299 -0.268 7.688 1.995 1.00 0.00 C ATOM 104 SG CYS A 299 -1.623 7.826 3.191 1.00 0.00 S ATOM 0 H CYS A 299 1.230 8.419 0.216 1.00 0.00 H new ATOM 0 HA CYS A 299 -0.995 6.681 0.255 1.00 0.00 H new ATOM 0 HB2 CYS A 299 0.282 6.768 2.193 1.00 0.00 H new ATOM 0 HB3 CYS A 299 0.425 8.514 2.154 1.00 0.00 H new ATOM 0 HG CYS A 299 -1.293 8.668 4.125 1.00 0.00 H new ATOM 109 N ALA A 300 -2.999 8.007 -0.175 1.00 0.00 N ATOM 110 CA ALA A 300 -4.229 8.742 -0.464 1.00 0.00 C ATOM 111 C ALA A 300 -4.940 9.273 0.784 1.00 0.00 C ATOM 112 O ALA A 300 -6.072 9.746 0.687 1.00 0.00 O ATOM 113 CB ALA A 300 -5.182 7.861 -1.260 1.00 0.00 C ATOM 0 H ALA A 300 -3.044 7.014 -0.405 1.00 0.00 H new ATOM 0 HA ALA A 300 -3.933 9.615 -1.046 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -6.097 8.414 -1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.709 7.568 -2.197 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.423 6.970 -0.681 1.00 0.00 H new ATOM 119 N VAL A 301 -4.300 9.204 1.948 1.00 0.00 N ATOM 120 CA VAL A 301 -4.934 9.699 3.168 1.00 0.00 C ATOM 121 C VAL A 301 -4.132 10.825 3.822 1.00 0.00 C ATOM 122 O VAL A 301 -4.709 11.690 4.483 1.00 0.00 O ATOM 123 CB VAL A 301 -5.196 8.567 4.199 1.00 0.00 C ATOM 124 CG1 VAL A 301 -4.767 7.217 3.657 1.00 0.00 C ATOM 125 CG2 VAL A 301 -4.509 8.853 5.527 1.00 0.00 C ATOM 0 H VAL A 301 -3.364 8.819 2.073 1.00 0.00 H new ATOM 0 HA VAL A 301 -5.897 10.103 2.855 1.00 0.00 H new ATOM 0 HB VAL A 301 -6.271 8.535 4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 301 -4.964 6.446 4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 301 -5.327 6.995 2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 301 -3.701 7.238 3.430 1.00 0.00 H new ATOM 0 HG21 VAL A 301 -4.713 8.041 6.225 1.00 0.00 H new ATOM 0 HG22 VAL A 301 -3.433 8.935 5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 301 -4.888 9.789 5.938 1.00 0.00 H new ATOM 135 N CYS A 302 -2.811 10.831 3.644 1.00 0.00 N ATOM 136 CA CYS A 302 -1.990 11.876 4.257 1.00 0.00 C ATOM 137 C CYS A 302 -0.839 12.309 3.348 1.00 0.00 C ATOM 138 O CYS A 302 0.117 12.940 3.802 1.00 0.00 O ATOM 139 CB CYS A 302 -1.476 11.426 5.634 1.00 0.00 C ATOM 140 SG CYS A 302 -0.031 10.314 5.607 1.00 0.00 S ATOM 0 H CYS A 302 -2.296 10.143 3.095 1.00 0.00 H new ATOM 0 HA CYS A 302 -2.625 12.750 4.399 1.00 0.00 H new ATOM 0 HB2 CYS A 302 -1.220 12.312 6.214 1.00 0.00 H new ATOM 0 HB3 CYS A 302 -2.289 10.925 6.160 1.00 0.00 H new ATOM 0 HG CYS A 302 -0.379 9.140 6.044 1.00 0.00 H new ATOM 145 N ARG A 303 -0.952 11.973 2.062 1.00 0.00 N ATOM 146 CA ARG A 303 0.049 12.339 1.052 1.00 0.00 C ATOM 147 C ARG A 303 1.480 12.192 1.566 1.00 0.00 C ATOM 148 O ARG A 303 2.374 12.923 1.138 1.00 0.00 O ATOM 149 CB ARG A 303 -0.184 13.781 0.595 1.00 0.00 C ATOM 150 CG ARG A 303 -1.641 14.105 0.309 1.00 0.00 C ATOM 151 CD ARG A 303 -2.097 13.493 -1.002 1.00 0.00 C ATOM 152 NE ARG A 303 -1.601 14.237 -2.156 1.00 0.00 N ATOM 153 CZ ARG A 303 -2.314 14.450 -3.259 1.00 0.00 C ATOM 154 NH1 ARG A 303 -3.547 13.970 -3.358 1.00 0.00 N ATOM 155 NH2 ARG A 303 -1.794 15.142 -4.264 1.00 0.00 N ATOM 0 H ARG A 303 -1.738 11.440 1.689 1.00 0.00 H new ATOM 0 HA ARG A 303 -0.070 11.651 0.215 1.00 0.00 H new ATOM 0 HB2 ARG A 303 0.186 14.460 1.363 1.00 0.00 H new ATOM 0 HB3 ARG A 303 0.403 13.967 -0.304 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -2.264 13.733 1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -1.775 15.186 0.274 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -1.751 12.461 -1.060 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -3.186 13.466 -1.030 1.00 0.00 H new ATOM 0 HE ARG A 303 -0.654 14.615 -2.114 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -3.950 13.437 -2.588 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -4.092 14.134 -4.204 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -0.846 15.512 -4.192 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -2.342 15.304 -5.109 1.00 0.00 H new ATOM 169 N ASP A 304 1.701 11.250 2.475 1.00 0.00 N ATOM 170 CA ASP A 304 3.032 11.030 3.027 1.00 0.00 C ATOM 171 C ASP A 304 3.641 9.745 2.474 1.00 0.00 C ATOM 172 O ASP A 304 2.967 8.975 1.784 1.00 0.00 O ATOM 173 CB ASP A 304 2.975 10.978 4.555 1.00 0.00 C ATOM 174 CG ASP A 304 4.350 11.037 5.193 1.00 0.00 C ATOM 175 OD1 ASP A 304 4.884 12.154 5.352 1.00 0.00 O ATOM 176 OD2 ASP A 304 4.891 9.964 5.534 1.00 0.00 O ATOM 0 H ASP A 304 0.980 10.629 2.844 1.00 0.00 H new ATOM 0 HA ASP A 304 3.667 11.865 2.730 1.00 0.00 H new ATOM 0 HB2 ASP A 304 2.373 11.810 4.921 1.00 0.00 H new ATOM 0 HB3 ASP A 304 2.474 10.061 4.865 1.00 0.00 H new ATOM 181 N GLY A 305 4.919 9.525 2.777 1.00 0.00 N ATOM 182 CA GLY A 305 5.605 8.340 2.296 1.00 0.00 C ATOM 183 C GLY A 305 5.779 7.281 3.366 1.00 0.00 C ATOM 184 O GLY A 305 5.550 7.531 4.548 1.00 0.00 O ATOM 0 H GLY A 305 5.491 10.148 3.348 1.00 0.00 H new ATOM 0 HA2 GLY A 305 5.046 7.917 1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 305 6.584 8.625 1.912 1.00 0.00 H new ATOM 188 N GLY A 306 6.200 6.095 2.938 1.00 0.00 N ATOM 189 CA GLY A 306 6.397 4.983 3.849 1.00 0.00 C ATOM 190 C GLY A 306 5.818 3.706 3.275 1.00 0.00 C ATOM 191 O GLY A 306 5.589 3.621 2.071 1.00 0.00 O ATOM 0 H GLY A 306 6.411 5.883 1.963 1.00 0.00 H new ATOM 0 HA2 GLY A 306 7.461 4.850 4.042 1.00 0.00 H new ATOM 0 HA3 GLY A 306 5.924 5.203 4.806 1.00 0.00 H new ATOM 195 N GLU A 307 5.579 2.707 4.116 1.00 0.00 N ATOM 196 CA GLU A 307 5.006 1.460 3.630 1.00 0.00 C ATOM 197 C GLU A 307 3.533 1.673 3.306 1.00 0.00 C ATOM 198 O GLU A 307 2.723 1.912 4.202 1.00 0.00 O ATOM 199 CB GLU A 307 5.171 0.351 4.674 1.00 0.00 C ATOM 200 CG GLU A 307 4.704 -1.018 4.198 1.00 0.00 C ATOM 201 CD GLU A 307 3.206 -1.207 4.326 1.00 0.00 C ATOM 202 OE1 GLU A 307 2.728 -1.421 5.460 1.00 0.00 O ATOM 203 OE2 GLU A 307 2.509 -1.141 3.291 1.00 0.00 O ATOM 0 H GLU A 307 5.769 2.734 5.118 1.00 0.00 H new ATOM 0 HA GLU A 307 5.531 1.153 2.725 1.00 0.00 H new ATOM 0 HB2 GLU A 307 6.221 0.287 4.959 1.00 0.00 H new ATOM 0 HB3 GLU A 307 4.613 0.623 5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 307 4.995 -1.154 3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 307 5.213 -1.791 4.774 1.00 0.00 H new ATOM 210 N LEU A 308 3.187 1.587 2.023 1.00 0.00 N ATOM 211 CA LEU A 308 1.805 1.785 1.605 1.00 0.00 C ATOM 212 C LEU A 308 1.251 0.554 0.897 1.00 0.00 C ATOM 213 O LEU A 308 1.995 -0.229 0.309 1.00 0.00 O ATOM 214 CB LEU A 308 1.671 2.996 0.675 1.00 0.00 C ATOM 215 CG LEU A 308 2.737 4.076 0.804 1.00 0.00 C ATOM 216 CD1 LEU A 308 2.657 5.024 -0.383 1.00 0.00 C ATOM 217 CD2 LEU A 308 2.543 4.841 2.094 1.00 0.00 C ATOM 0 H LEU A 308 3.838 1.384 1.264 1.00 0.00 H new ATOM 0 HA LEU A 308 1.229 1.963 2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.673 2.637 -0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 308 0.698 3.455 0.851 1.00 0.00 H new ATOM 0 HG LEU A 308 3.721 3.607 0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 308 3.422 5.795 -0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 308 2.819 4.466 -1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 308 1.673 5.491 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 308 3.309 5.612 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 308 1.558 5.307 2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 308 2.622 4.156 2.938 1.00 0.00 H new ATOM 229 N ILE A 309 -0.066 0.406 0.963 1.00 0.00 N ATOM 230 CA ILE A 309 -0.766 -0.703 0.334 1.00 0.00 C ATOM 231 C ILE A 309 -1.613 -0.199 -0.828 1.00 0.00 C ATOM 232 O ILE A 309 -2.594 0.519 -0.632 1.00 0.00 O ATOM 233 CB ILE A 309 -1.671 -1.427 1.344 1.00 0.00 C ATOM 234 CG1 ILE A 309 -2.505 -2.505 0.651 1.00 0.00 C ATOM 235 CG2 ILE A 309 -2.569 -0.431 2.053 1.00 0.00 C ATOM 236 CD1 ILE A 309 -3.287 -3.370 1.615 1.00 0.00 C ATOM 0 H ILE A 309 -0.679 1.055 1.456 1.00 0.00 H new ATOM 0 HA ILE A 309 -0.018 -1.405 -0.035 1.00 0.00 H new ATOM 0 HB ILE A 309 -1.038 -1.914 2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 309 -3.198 -2.028 -0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 309 -1.846 -3.139 0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 309 -3.205 -0.957 2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 309 -1.956 0.298 2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 309 -3.192 0.082 1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 309 -3.856 -4.113 1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 309 -2.598 -3.874 2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 309 -3.971 -2.746 2.191 1.00 0.00 H new ATOM 248 N CYS A 310 -1.231 -0.575 -2.036 1.00 0.00 N ATOM 249 CA CYS A 310 -1.953 -0.146 -3.222 1.00 0.00 C ATOM 250 C CYS A 310 -3.196 -0.995 -3.461 1.00 0.00 C ATOM 251 O CYS A 310 -3.169 -2.216 -3.299 1.00 0.00 O ATOM 252 CB CYS A 310 -1.035 -0.198 -4.439 1.00 0.00 C ATOM 253 SG CYS A 310 -1.900 -0.140 -6.025 1.00 0.00 S ATOM 0 H CYS A 310 -0.427 -1.175 -2.222 1.00 0.00 H new ATOM 0 HA CYS A 310 -2.281 0.881 -3.061 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -0.336 0.637 -4.389 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -0.443 -1.112 -4.394 1.00 0.00 H new ATOM 0 HG CYS A 310 -2.968 -0.879 -5.964 1.00 0.00 H new ATOM 259 N CYS A 311 -4.288 -0.336 -3.845 1.00 0.00 N ATOM 260 CA CYS A 311 -5.545 -1.029 -4.111 1.00 0.00 C ATOM 261 C CYS A 311 -5.435 -1.873 -5.375 1.00 0.00 C ATOM 262 O CYS A 311 -4.920 -1.417 -6.395 1.00 0.00 O ATOM 263 CB CYS A 311 -6.699 -0.029 -4.250 1.00 0.00 C ATOM 264 SG CYS A 311 -8.309 -0.808 -4.619 1.00 0.00 S ATOM 0 H CYS A 311 -4.327 0.675 -3.978 1.00 0.00 H new ATOM 0 HA CYS A 311 -5.752 -1.685 -3.266 1.00 0.00 H new ATOM 0 HB2 CYS A 311 -6.786 0.542 -3.326 1.00 0.00 H new ATOM 0 HB3 CYS A 311 -6.459 0.681 -5.042 1.00 0.00 H new ATOM 0 HG CYS A 311 -8.750 -0.372 -5.761 1.00 0.00 H new ATOM 269 N ASP A 312 -5.928 -3.106 -5.299 1.00 0.00 N ATOM 270 CA ASP A 312 -5.885 -4.020 -6.435 1.00 0.00 C ATOM 271 C ASP A 312 -6.749 -3.509 -7.585 1.00 0.00 C ATOM 272 O ASP A 312 -6.776 -4.102 -8.663 1.00 0.00 O ATOM 273 CB ASP A 312 -6.350 -5.414 -6.008 1.00 0.00 C ATOM 274 CG ASP A 312 -6.193 -6.445 -7.110 1.00 0.00 C ATOM 275 OD1 ASP A 312 -5.264 -6.300 -7.931 1.00 0.00 O ATOM 276 OD2 ASP A 312 -6.994 -7.402 -7.145 1.00 0.00 O ATOM 0 H ASP A 312 -6.362 -3.495 -4.462 1.00 0.00 H new ATOM 0 HA ASP A 312 -4.854 -4.078 -6.784 1.00 0.00 H new ATOM 0 HB2 ASP A 312 -5.780 -5.731 -5.135 1.00 0.00 H new ATOM 0 HB3 ASP A 312 -7.396 -5.367 -5.706 1.00 0.00 H new ATOM 281 N GLY A 313 -7.453 -2.405 -7.348 1.00 0.00 N ATOM 282 CA GLY A 313 -8.307 -1.840 -8.375 1.00 0.00 C ATOM 283 C GLY A 313 -8.105 -0.346 -8.561 1.00 0.00 C ATOM 284 O GLY A 313 -8.814 0.283 -9.348 1.00 0.00 O ATOM 0 H GLY A 313 -7.447 -1.894 -6.465 1.00 0.00 H new ATOM 0 HA2 GLY A 313 -8.113 -2.347 -9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 313 -9.349 -2.031 -8.118 1.00 0.00 H new ATOM 288 N CYS A 314 -7.144 0.231 -7.840 1.00 0.00 N ATOM 289 CA CYS A 314 -6.873 1.662 -7.952 1.00 0.00 C ATOM 290 C CYS A 314 -5.379 1.964 -7.828 1.00 0.00 C ATOM 291 O CYS A 314 -4.628 1.200 -7.222 1.00 0.00 O ATOM 292 CB CYS A 314 -7.650 2.444 -6.892 1.00 0.00 C ATOM 293 SG CYS A 314 -9.431 2.073 -6.847 1.00 0.00 S ATOM 0 H CYS A 314 -6.546 -0.265 -7.179 1.00 0.00 H new ATOM 0 HA CYS A 314 -7.203 1.977 -8.942 1.00 0.00 H new ATOM 0 HB2 CYS A 314 -7.221 2.231 -5.913 1.00 0.00 H new ATOM 0 HB3 CYS A 314 -7.517 3.511 -7.073 1.00 0.00 H new ATOM 0 HG CYS A 314 -9.846 2.086 -5.615 1.00 0.00 H new ATOM 298 N PRO A 315 -4.938 3.098 -8.404 1.00 0.00 N ATOM 299 CA PRO A 315 -3.537 3.528 -8.381 1.00 0.00 C ATOM 300 C PRO A 315 -3.153 4.197 -7.069 1.00 0.00 C ATOM 301 O PRO A 315 -2.158 4.921 -7.001 1.00 0.00 O ATOM 302 CB PRO A 315 -3.453 4.558 -9.520 1.00 0.00 C ATOM 303 CG PRO A 315 -4.809 4.593 -10.154 1.00 0.00 C ATOM 304 CD PRO A 315 -5.766 4.061 -9.131 1.00 0.00 C ATOM 0 HA PRO A 315 -2.862 2.679 -8.491 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -3.177 5.540 -9.137 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -2.691 4.274 -10.246 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -5.076 5.609 -10.445 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -4.831 3.986 -11.059 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -6.143 4.848 -8.478 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -6.632 3.587 -9.592 1.00 0.00 H new ATOM 312 N ARG A 316 -3.941 3.959 -6.031 1.00 0.00 N ATOM 313 CA ARG A 316 -3.684 4.561 -4.729 1.00 0.00 C ATOM 314 C ARG A 316 -2.934 3.616 -3.805 1.00 0.00 C ATOM 315 O ARG A 316 -2.736 2.448 -4.124 1.00 0.00 O ATOM 316 CB ARG A 316 -4.994 4.976 -4.074 1.00 0.00 C ATOM 317 CG ARG A 316 -5.583 6.249 -4.647 1.00 0.00 C ATOM 318 CD ARG A 316 -6.896 6.589 -3.968 1.00 0.00 C ATOM 319 NE ARG A 316 -7.268 7.988 -4.164 1.00 0.00 N ATOM 320 CZ ARG A 316 -8.504 8.453 -4.010 1.00 0.00 C ATOM 321 NH1 ARG A 316 -9.487 7.633 -3.661 1.00 0.00 N ATOM 322 NH2 ARG A 316 -8.759 9.739 -4.207 1.00 0.00 N ATOM 0 H ARG A 316 -4.762 3.355 -6.064 1.00 0.00 H new ATOM 0 HA ARG A 316 -3.059 5.438 -4.896 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -5.718 4.169 -4.185 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -4.829 5.111 -3.005 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -4.879 7.071 -4.518 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -5.743 6.131 -5.719 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -7.684 5.946 -4.360 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -6.817 6.381 -2.901 1.00 0.00 H new ATOM 0 HE ARG A 316 -6.537 8.646 -4.435 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -9.296 6.643 -3.510 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -10.434 7.993 -3.544 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -8.007 10.373 -4.477 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -9.708 10.095 -4.089 1.00 0.00 H new ATOM 336 N ALA A 317 -2.528 4.151 -2.657 1.00 0.00 N ATOM 337 CA ALA A 317 -1.800 3.394 -1.644 1.00 0.00 C ATOM 338 C ALA A 317 -2.157 3.929 -0.250 1.00 0.00 C ATOM 339 O ALA A 317 -2.437 5.118 -0.101 1.00 0.00 O ATOM 340 CB ALA A 317 -0.305 3.498 -1.894 1.00 0.00 C ATOM 0 H ALA A 317 -2.695 5.125 -2.403 1.00 0.00 H new ATOM 0 HA ALA A 317 -2.084 2.343 -1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 317 0.231 2.930 -1.134 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -0.072 3.095 -2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.000 4.544 -1.848 1.00 0.00 H new ATOM 346 N PHE A 318 -2.153 3.066 0.768 1.00 0.00 N ATOM 347 CA PHE A 318 -2.506 3.498 2.130 1.00 0.00 C ATOM 348 C PHE A 318 -1.474 3.058 3.177 1.00 0.00 C ATOM 349 O PHE A 318 -0.841 2.016 3.049 1.00 0.00 O ATOM 350 CB PHE A 318 -3.891 2.953 2.496 1.00 0.00 C ATOM 351 CG PHE A 318 -5.014 3.597 1.739 1.00 0.00 C ATOM 352 CD1 PHE A 318 -5.194 3.327 0.401 1.00 0.00 C ATOM 353 CD2 PHE A 318 -5.892 4.462 2.370 1.00 0.00 C ATOM 354 CE1 PHE A 318 -6.226 3.905 -0.304 1.00 0.00 C ATOM 355 CE2 PHE A 318 -6.929 5.049 1.669 1.00 0.00 C ATOM 356 CZ PHE A 318 -7.096 4.768 0.329 1.00 0.00 C ATOM 0 H PHE A 318 -1.914 2.078 0.683 1.00 0.00 H new ATOM 0 HA PHE A 318 -2.516 4.588 2.135 1.00 0.00 H new ATOM 0 HB2 PHE A 318 -3.909 1.879 2.311 1.00 0.00 H new ATOM 0 HB3 PHE A 318 -4.057 3.095 3.564 1.00 0.00 H new ATOM 0 HD1 PHE A 318 -4.517 2.653 -0.102 1.00 0.00 H new ATOM 0 HD2 PHE A 318 -5.765 4.680 3.420 1.00 0.00 H new ATOM 0 HE1 PHE A 318 -6.354 3.682 -1.353 1.00 0.00 H new ATOM 0 HE2 PHE A 318 -7.606 5.726 2.169 1.00 0.00 H new ATOM 0 HZ PHE A 318 -7.906 5.222 -0.223 1.00 0.00 H new ATOM 366 N HIS A 319 -1.333 3.864 4.232 1.00 0.00 N ATOM 367 CA HIS A 319 -0.382 3.586 5.313 1.00 0.00 C ATOM 368 C HIS A 319 -0.935 2.582 6.320 1.00 0.00 C ATOM 369 O HIS A 319 -0.688 2.715 7.518 1.00 0.00 O ATOM 370 CB HIS A 319 -0.055 4.871 6.067 1.00 0.00 C ATOM 371 CG HIS A 319 1.128 5.619 5.570 1.00 0.00 C ATOM 372 ND1 HIS A 319 1.063 6.953 5.249 1.00 0.00 N ATOM 373 CD2 HIS A 319 2.410 5.240 5.371 1.00 0.00 C ATOM 374 CE1 HIS A 319 2.259 7.369 4.876 1.00 0.00 C ATOM 375 NE2 HIS A 319 3.096 6.348 4.941 1.00 0.00 N ATOM 0 H HIS A 319 -1.870 4.722 4.362 1.00 0.00 H new ATOM 0 HA HIS A 319 0.510 3.167 4.846 1.00 0.00 H new ATOM 0 HB2 HIS A 319 -0.923 5.528 6.024 1.00 0.00 H new ATOM 0 HB3 HIS A 319 0.107 4.625 7.116 1.00 0.00 H new ATOM 0 HD2 HIS A 319 2.818 4.251 5.522 1.00 0.00 H new ATOM 0 HE1 HIS A 319 2.511 8.374 4.570 1.00 0.00 H new ATOM 0 HE2 HIS A 319 4.089 6.379 4.710 1.00 0.00 H new ATOM 383 N LEU A 320 -1.681 1.592 5.847 1.00 0.00 N ATOM 384 CA LEU A 320 -2.255 0.581 6.733 1.00 0.00 C ATOM 385 C LEU A 320 -3.256 1.211 7.693 1.00 0.00 C ATOM 386 O LEU A 320 -4.466 1.127 7.496 1.00 0.00 O ATOM 387 CB LEU A 320 -1.157 -0.119 7.535 1.00 0.00 C ATOM 388 CG LEU A 320 -0.045 -0.783 6.721 1.00 0.00 C ATOM 389 CD1 LEU A 320 0.351 -2.091 7.355 1.00 0.00 C ATOM 390 CD2 LEU A 320 -0.479 -1.008 5.288 1.00 0.00 C ATOM 0 H LEU A 320 -1.904 1.465 4.860 1.00 0.00 H new ATOM 0 HA LEU A 320 -2.769 -0.153 6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 320 -0.702 0.612 8.204 1.00 0.00 H new ATOM 0 HB3 LEU A 320 -1.623 -0.879 8.163 1.00 0.00 H new ATOM 0 HG LEU A 320 0.816 -0.115 6.714 1.00 0.00 H new ATOM 0 HD11 LEU A 320 1.143 -2.555 6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 320 0.709 -1.910 8.368 1.00 0.00 H new ATOM 0 HD13 LEU A 320 -0.513 -2.755 7.388 1.00 0.00 H new ATOM 0 HD21 LEU A 320 0.331 -1.481 4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 320 -1.357 -1.654 5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 320 -0.724 -0.051 4.827 1.00 0.00 H new ATOM 402 N ALA A 321 -2.730 1.841 8.738 1.00 0.00 N ATOM 403 CA ALA A 321 -3.554 2.499 9.738 1.00 0.00 C ATOM 404 C ALA A 321 -4.169 3.777 9.183 1.00 0.00 C ATOM 405 O ALA A 321 -5.104 4.330 9.762 1.00 0.00 O ATOM 406 CB ALA A 321 -2.725 2.797 10.974 1.00 0.00 C ATOM 0 H ALA A 321 -1.727 1.908 8.913 1.00 0.00 H new ATOM 0 HA ALA A 321 -4.369 1.829 10.012 1.00 0.00 H new ATOM 0 HB1 ALA A 321 -3.348 3.290 11.720 1.00 0.00 H new ATOM 0 HB2 ALA A 321 -2.336 1.865 11.385 1.00 0.00 H new ATOM 0 HB3 ALA A 321 -1.894 3.450 10.706 1.00 0.00 H new ATOM 412 N CYS A 322 -3.637 4.243 8.054 1.00 0.00 N ATOM 413 CA CYS A 322 -4.154 5.459 7.419 1.00 0.00 C ATOM 414 C CYS A 322 -5.497 5.169 6.760 1.00 0.00 C ATOM 415 O CYS A 322 -6.164 6.063 6.242 1.00 0.00 O ATOM 416 CB CYS A 322 -3.173 6.002 6.375 1.00 0.00 C ATOM 417 SG CYS A 322 -2.037 7.296 7.002 1.00 0.00 S ATOM 0 H CYS A 322 -2.858 3.805 7.563 1.00 0.00 H new ATOM 0 HA CYS A 322 -4.281 6.216 8.193 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -2.581 5.174 5.986 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -3.741 6.409 5.538 1.00 0.00 H new ATOM 0 HG CYS A 322 -0.932 7.273 6.317 1.00 0.00 H new ATOM 422 N LEU A 323 -5.876 3.899 6.796 1.00 0.00 N ATOM 423 CA LEU A 323 -7.128 3.438 6.216 1.00 0.00 C ATOM 424 C LEU A 323 -8.283 3.637 7.180 1.00 0.00 C ATOM 425 O LEU A 323 -8.063 3.786 8.384 1.00 0.00 O ATOM 426 CB LEU A 323 -7.015 1.948 5.899 1.00 0.00 C ATOM 427 CG LEU A 323 -6.436 1.610 4.544 1.00 0.00 C ATOM 428 CD1 LEU A 323 -5.819 0.222 4.570 1.00 0.00 C ATOM 429 CD2 LEU A 323 -7.520 1.701 3.495 1.00 0.00 C ATOM 0 H LEU A 323 -5.323 3.159 7.229 1.00 0.00 H new ATOM 0 HA LEU A 323 -7.318 4.015 5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 323 -6.399 1.478 6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 323 -8.008 1.503 5.971 1.00 0.00 H new ATOM 0 HG LEU A 323 -5.650 2.323 4.296 1.00 0.00 H new ATOM 0 HD11 LEU A 323 -5.405 -0.011 3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 323 -5.024 0.191 5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 323 -6.584 -0.512 4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 323 -7.102 1.457 2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 323 -8.318 0.998 3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 323 -7.923 2.714 3.475 1.00 0.00 H new ATOM 441 N SER A 324 -9.515 3.657 6.664 1.00 0.00 N ATOM 442 CA SER A 324 -10.664 3.777 7.553 1.00 0.00 C ATOM 443 C SER A 324 -10.528 2.659 8.580 1.00 0.00 C ATOM 444 O SER A 324 -10.556 2.909 9.785 1.00 0.00 O ATOM 445 CB SER A 324 -11.999 3.717 6.796 1.00 0.00 C ATOM 446 OG SER A 324 -13.087 3.579 7.694 1.00 0.00 O ATOM 0 H SER A 324 -9.735 3.594 5.670 1.00 0.00 H new ATOM 0 HA SER A 324 -10.673 4.751 8.042 1.00 0.00 H new ATOM 0 HB2 SER A 324 -12.125 4.622 6.202 1.00 0.00 H new ATOM 0 HB3 SER A 324 -11.989 2.878 6.100 1.00 0.00 H new ATOM 0 HG SER A 324 -13.926 3.545 7.189 1.00 0.00 H new ATOM 452 N PRO A 325 -10.374 1.396 8.114 1.00 0.00 N ATOM 453 CA PRO A 325 -10.110 0.268 8.968 1.00 0.00 C ATOM 454 C PRO A 325 -8.627 -0.072 8.854 1.00 0.00 C ATOM 455 O PRO A 325 -8.128 -0.306 7.753 1.00 0.00 O ATOM 456 CB PRO A 325 -10.977 -0.817 8.356 1.00 0.00 C ATOM 457 CG PRO A 325 -11.057 -0.477 6.893 1.00 0.00 C ATOM 458 CD PRO A 325 -10.504 0.925 6.724 1.00 0.00 C ATOM 0 HA PRO A 325 -10.325 0.420 10.026 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -10.539 -1.804 8.508 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -11.967 -0.834 8.811 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -10.483 -1.190 6.301 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -12.088 -0.528 6.543 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -9.544 0.921 6.207 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -11.176 1.557 6.144 1.00 0.00 H new ATOM 466 N PRO A 326 -7.894 -0.116 9.965 1.00 0.00 N ATOM 467 CA PRO A 326 -6.460 -0.356 9.924 1.00 0.00 C ATOM 468 C PRO A 326 -6.095 -1.808 9.725 1.00 0.00 C ATOM 469 O PRO A 326 -6.647 -2.712 10.355 1.00 0.00 O ATOM 470 CB PRO A 326 -5.997 0.161 11.265 1.00 0.00 C ATOM 471 CG PRO A 326 -7.135 -0.130 12.175 1.00 0.00 C ATOM 472 CD PRO A 326 -8.391 0.005 11.344 1.00 0.00 C ATOM 0 HA PRO A 326 -5.986 0.136 9.074 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -5.086 -0.339 11.593 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -5.779 1.228 11.228 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -7.052 -1.133 12.593 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -7.148 0.565 13.015 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -9.116 -0.773 11.581 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -8.884 0.962 11.512 1.00 0.00 H new ATOM 480 N LEU A 327 -5.147 -2.002 8.829 1.00 0.00 N ATOM 481 CA LEU A 327 -4.660 -3.316 8.473 1.00 0.00 C ATOM 482 C LEU A 327 -3.799 -3.924 9.568 1.00 0.00 C ATOM 483 O LEU A 327 -4.170 -4.946 10.144 1.00 0.00 O ATOM 484 CB LEU A 327 -3.887 -3.220 7.157 1.00 0.00 C ATOM 485 CG LEU A 327 -4.681 -2.579 6.028 1.00 0.00 C ATOM 486 CD1 LEU A 327 -3.857 -2.474 4.767 1.00 0.00 C ATOM 487 CD2 LEU A 327 -5.939 -3.371 5.776 1.00 0.00 C ATOM 0 H LEU A 327 -4.690 -1.243 8.324 1.00 0.00 H new ATOM 0 HA LEU A 327 -5.515 -3.981 8.350 1.00 0.00 H new ATOM 0 HB2 LEU A 327 -2.976 -2.644 7.322 1.00 0.00 H new ATOM 0 HB3 LEU A 327 -3.581 -4.221 6.852 1.00 0.00 H new ATOM 0 HG LEU A 327 -4.950 -1.566 6.329 1.00 0.00 H new ATOM 0 HD11 LEU A 327 -4.453 -2.012 3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 327 -2.974 -1.864 4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 327 -3.548 -3.470 4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 327 -6.504 -2.908 4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 327 -5.677 -4.392 5.498 1.00 0.00 H new ATOM 0 HD23 LEU A 327 -6.547 -3.386 6.681 1.00 0.00 H new ATOM 499 N ARG A 328 -2.676 -3.265 9.880 1.00 0.00 N ATOM 500 CA ARG A 328 -1.728 -3.760 10.875 1.00 0.00 C ATOM 501 C ARG A 328 -1.015 -4.994 10.339 1.00 0.00 C ATOM 502 O ARG A 328 0.206 -5.122 10.440 1.00 0.00 O ATOM 503 CB ARG A 328 -2.430 -4.052 12.176 1.00 0.00 C ATOM 504 CG ARG A 328 -2.164 -3.005 13.232 1.00 0.00 C ATOM 505 CD ARG A 328 -0.680 -2.871 13.546 1.00 0.00 C ATOM 506 NE ARG A 328 -0.417 -1.789 14.492 1.00 0.00 N ATOM 507 CZ ARG A 328 0.711 -1.675 15.187 1.00 0.00 C ATOM 508 NH1 ARG A 328 1.673 -2.578 15.052 1.00 0.00 N ATOM 509 NH2 ARG A 328 0.876 -0.656 16.021 1.00 0.00 N ATOM 0 H ARG A 328 -2.404 -2.380 9.451 1.00 0.00 H new ATOM 0 HA ARG A 328 -0.981 -2.991 11.071 1.00 0.00 H new ATOM 0 HB2 ARG A 328 -3.503 -4.117 11.998 1.00 0.00 H new ATOM 0 HB3 ARG A 328 -2.109 -5.025 12.547 1.00 0.00 H new ATOM 0 HG2 ARG A 328 -2.551 -2.044 12.894 1.00 0.00 H new ATOM 0 HG3 ARG A 328 -2.705 -3.264 14.142 1.00 0.00 H new ATOM 0 HD2 ARG A 328 -0.310 -3.810 13.957 1.00 0.00 H new ATOM 0 HD3 ARG A 328 -0.129 -2.688 12.623 1.00 0.00 H new ATOM 0 HE ARG A 328 -1.139 -1.081 14.627 1.00 0.00 H new ATOM 0 HH11 ARG A 328 1.549 -3.364 14.413 1.00 0.00 H new ATOM 0 HH12 ARG A 328 2.537 -2.487 15.587 1.00 0.00 H new ATOM 0 HH21 ARG A 328 0.138 0.039 16.129 1.00 0.00 H new ATOM 0 HH22 ARG A 328 1.741 -0.568 16.554 1.00 0.00 H new ATOM 523 N GLU A 329 -1.801 -5.898 9.770 1.00 0.00 N ATOM 524 CA GLU A 329 -1.291 -7.103 9.153 1.00 0.00 C ATOM 525 C GLU A 329 -1.870 -7.195 7.755 1.00 0.00 C ATOM 526 O GLU A 329 -3.000 -7.643 7.551 1.00 0.00 O ATOM 527 CB GLU A 329 -1.640 -8.348 9.957 1.00 0.00 C ATOM 528 CG GLU A 329 -1.055 -8.356 11.361 1.00 0.00 C ATOM 529 CD GLU A 329 -1.362 -9.637 12.111 1.00 0.00 C ATOM 530 OE1 GLU A 329 -2.443 -9.716 12.732 1.00 0.00 O ATOM 531 OE2 GLU A 329 -0.522 -10.560 12.079 1.00 0.00 O ATOM 0 H GLU A 329 -2.816 -5.810 9.726 1.00 0.00 H new ATOM 0 HA GLU A 329 -0.203 -7.052 9.116 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -2.725 -8.433 10.025 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -1.284 -9.227 9.420 1.00 0.00 H new ATOM 0 HG2 GLU A 329 0.025 -8.224 11.302 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -1.450 -7.508 11.920 1.00 0.00 H new ATOM 538 N ILE A 330 -1.071 -6.756 6.811 1.00 0.00 N ATOM 539 CA ILE A 330 -1.444 -6.690 5.410 1.00 0.00 C ATOM 540 C ILE A 330 -2.242 -7.902 4.906 1.00 0.00 C ATOM 541 O ILE A 330 -1.945 -9.051 5.235 1.00 0.00 O ATOM 542 CB ILE A 330 -0.184 -6.468 4.551 1.00 0.00 C ATOM 543 CG1 ILE A 330 0.327 -5.043 4.771 1.00 0.00 C ATOM 544 CG2 ILE A 330 -0.463 -6.717 3.078 1.00 0.00 C ATOM 545 CD1 ILE A 330 -0.724 -3.997 4.525 1.00 0.00 C ATOM 0 H ILE A 330 -0.123 -6.427 6.995 1.00 0.00 H new ATOM 0 HA ILE A 330 -2.124 -5.844 5.312 1.00 0.00 H new ATOM 0 HB ILE A 330 0.580 -7.182 4.858 1.00 0.00 H new ATOM 0 HG12 ILE A 330 0.694 -4.948 5.793 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.175 -4.861 4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.447 -6.551 2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 330 -0.798 -7.745 2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 330 -1.239 -6.034 2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 330 -0.300 -3.008 4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 330 -1.073 -4.068 3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -1.562 -4.156 5.204 1.00 0.00 H new ATOM 557 N PRO A 331 -3.280 -7.616 4.084 1.00 0.00 N ATOM 558 CA PRO A 331 -4.171 -8.627 3.485 1.00 0.00 C ATOM 559 C PRO A 331 -3.427 -9.698 2.693 1.00 0.00 C ATOM 560 O PRO A 331 -2.630 -9.386 1.802 1.00 0.00 O ATOM 561 CB PRO A 331 -5.042 -7.820 2.529 1.00 0.00 C ATOM 562 CG PRO A 331 -5.001 -6.432 3.049 1.00 0.00 C ATOM 563 CD PRO A 331 -3.669 -6.251 3.689 1.00 0.00 C ATOM 0 HA PRO A 331 -4.716 -9.165 4.261 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -4.660 -7.871 1.509 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -6.062 -8.203 2.507 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -5.143 -5.713 2.242 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -5.802 -6.265 3.769 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -2.949 -5.814 2.997 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -3.726 -5.586 4.551 1.00 0.00 H new ATOM 571 N SER A 332 -3.715 -10.960 2.998 1.00 0.00 N ATOM 572 CA SER A 332 -3.081 -12.079 2.309 1.00 0.00 C ATOM 573 C SER A 332 -3.868 -12.458 1.057 1.00 0.00 C ATOM 574 O SER A 332 -4.828 -13.226 1.126 1.00 0.00 O ATOM 575 CB SER A 332 -2.971 -13.283 3.236 1.00 0.00 C ATOM 576 OG SER A 332 -2.529 -12.900 4.526 1.00 0.00 O ATOM 0 H SER A 332 -4.384 -11.233 3.718 1.00 0.00 H new ATOM 0 HA SER A 332 -2.079 -11.769 2.012 1.00 0.00 H new ATOM 0 HB2 SER A 332 -3.940 -13.776 3.313 1.00 0.00 H new ATOM 0 HB3 SER A 332 -2.277 -14.009 2.812 1.00 0.00 H new ATOM 0 HG SER A 332 -2.469 -13.692 5.100 1.00 0.00 H new ATOM 582 N GLY A 333 -3.456 -11.915 -0.085 1.00 0.00 N ATOM 583 CA GLY A 333 -4.135 -12.207 -1.336 1.00 0.00 C ATOM 584 C GLY A 333 -4.549 -10.950 -2.076 1.00 0.00 C ATOM 585 O GLY A 333 -3.705 -10.232 -2.614 1.00 0.00 O ATOM 0 H GLY A 333 -2.664 -11.278 -0.167 1.00 0.00 H new ATOM 0 HA2 GLY A 333 -3.479 -12.801 -1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 333 -5.018 -12.814 -1.134 1.00 0.00 H new ATOM 589 N THR A 334 -5.852 -10.685 -2.110 1.00 0.00 N ATOM 590 CA THR A 334 -6.377 -9.502 -2.784 1.00 0.00 C ATOM 591 C THR A 334 -6.863 -8.470 -1.771 1.00 0.00 C ATOM 592 O THR A 334 -7.259 -8.820 -0.659 1.00 0.00 O ATOM 593 CB THR A 334 -7.536 -9.859 -3.733 1.00 0.00 C ATOM 594 OG1 THR A 334 -8.546 -10.587 -3.024 1.00 0.00 O ATOM 595 CG2 THR A 334 -7.038 -10.685 -4.911 1.00 0.00 C ATOM 0 H THR A 334 -6.564 -11.274 -1.678 1.00 0.00 H new ATOM 0 HA THR A 334 -5.560 -9.081 -3.370 1.00 0.00 H new ATOM 0 HB THR A 334 -7.961 -8.931 -4.115 1.00 0.00 H new ATOM 0 HG1 THR A 334 -9.280 -10.808 -3.635 1.00 0.00 H new ATOM 0 HG21 THR A 334 -7.875 -10.925 -5.567 1.00 0.00 H new ATOM 0 HG22 THR A 334 -6.293 -10.115 -5.466 1.00 0.00 H new ATOM 0 HG23 THR A 334 -6.589 -11.608 -4.544 1.00 0.00 H new ATOM 603 N TRP A 335 -6.829 -7.199 -2.158 1.00 0.00 N ATOM 604 CA TRP A 335 -7.263 -6.123 -1.273 1.00 0.00 C ATOM 605 C TRP A 335 -7.866 -4.962 -2.058 1.00 0.00 C ATOM 606 O TRP A 335 -7.444 -4.666 -3.176 1.00 0.00 O ATOM 607 CB TRP A 335 -6.090 -5.621 -0.437 1.00 0.00 C ATOM 608 CG TRP A 335 -6.454 -4.507 0.496 1.00 0.00 C ATOM 609 CD1 TRP A 335 -7.056 -4.621 1.717 1.00 0.00 C ATOM 610 CD2 TRP A 335 -6.242 -3.109 0.281 1.00 0.00 C ATOM 611 NE1 TRP A 335 -7.208 -3.379 2.284 1.00 0.00 N ATOM 612 CE2 TRP A 335 -6.722 -2.437 1.418 1.00 0.00 C ATOM 613 CE3 TRP A 335 -5.687 -2.361 -0.760 1.00 0.00 C ATOM 614 CZ2 TRP A 335 -6.662 -1.056 1.544 1.00 0.00 C ATOM 615 CZ3 TRP A 335 -5.630 -0.986 -0.635 1.00 0.00 C ATOM 616 CH2 TRP A 335 -6.113 -0.346 0.511 1.00 0.00 C ATOM 0 H TRP A 335 -6.507 -6.889 -3.075 1.00 0.00 H new ATOM 0 HA TRP A 335 -8.033 -6.528 -0.616 1.00 0.00 H new ATOM 0 HB2 TRP A 335 -5.685 -6.451 0.142 1.00 0.00 H new ATOM 0 HB3 TRP A 335 -5.298 -5.281 -1.104 1.00 0.00 H new ATOM 0 HD1 TRP A 335 -7.367 -5.551 2.170 1.00 0.00 H new ATOM 0 HE1 TRP A 335 -7.616 -3.190 3.200 1.00 0.00 H new ATOM 0 HE3 TRP A 335 -5.309 -2.849 -1.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 -7.036 -0.559 2.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 -5.206 -0.397 -1.434 1.00 0.00 H new ATOM 0 HH2 TRP A 335 -6.051 0.730 0.582 1.00 0.00 H new ATOM 627 N ARG A 336 -8.857 -4.310 -1.457 1.00 0.00 N ATOM 628 CA ARG A 336 -9.523 -3.178 -2.069 1.00 0.00 C ATOM 629 C ARG A 336 -9.434 -1.953 -1.166 1.00 0.00 C ATOM 630 O ARG A 336 -9.194 -2.079 0.032 1.00 0.00 O ATOM 631 CB ARG A 336 -10.980 -3.530 -2.320 1.00 0.00 C ATOM 632 CG ARG A 336 -11.221 -4.212 -3.654 1.00 0.00 C ATOM 633 CD ARG A 336 -12.677 -4.597 -3.809 1.00 0.00 C ATOM 634 NE ARG A 336 -12.893 -5.503 -4.936 1.00 0.00 N ATOM 635 CZ ARG A 336 -13.785 -6.490 -4.927 1.00 0.00 C ATOM 636 NH1 ARG A 336 -14.546 -6.693 -3.859 1.00 0.00 N ATOM 637 NH2 ARG A 336 -13.917 -7.275 -5.988 1.00 0.00 N ATOM 0 H ARG A 336 -9.216 -4.555 -0.534 1.00 0.00 H new ATOM 0 HA ARG A 336 -9.033 -2.945 -3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 336 -11.330 -4.182 -1.520 1.00 0.00 H new ATOM 0 HB3 ARG A 336 -11.578 -2.620 -2.274 1.00 0.00 H new ATOM 0 HG2 ARG A 336 -10.929 -3.546 -4.466 1.00 0.00 H new ATOM 0 HG3 ARG A 336 -10.595 -5.101 -3.731 1.00 0.00 H new ATOM 0 HD2 ARG A 336 -13.025 -5.072 -2.892 1.00 0.00 H new ATOM 0 HD3 ARG A 336 -13.276 -3.697 -3.949 1.00 0.00 H new ATOM 0 HE ARG A 336 -12.329 -5.371 -5.775 1.00 0.00 H new ATOM 0 HH11 ARG A 336 -14.448 -6.091 -3.041 1.00 0.00 H new ATOM 0 HH12 ARG A 336 -15.229 -7.451 -3.856 1.00 0.00 H new ATOM 0 HH21 ARG A 336 -13.334 -7.122 -6.811 1.00 0.00 H new ATOM 0 HH22 ARG A 336 -14.601 -8.032 -5.981 1.00 0.00 H new ATOM 651 N CYS A 337 -9.638 -0.770 -1.737 1.00 0.00 N ATOM 652 CA CYS A 337 -9.576 0.464 -0.957 1.00 0.00 C ATOM 653 C CYS A 337 -10.951 0.804 -0.393 1.00 0.00 C ATOM 654 O CYS A 337 -11.961 0.329 -0.903 1.00 0.00 O ATOM 655 CB CYS A 337 -9.049 1.622 -1.808 1.00 0.00 C ATOM 656 SG CYS A 337 -10.177 2.159 -3.131 1.00 0.00 S ATOM 0 H CYS A 337 -9.846 -0.638 -2.727 1.00 0.00 H new ATOM 0 HA CYS A 337 -8.885 0.309 -0.128 1.00 0.00 H new ATOM 0 HB2 CYS A 337 -8.843 2.471 -1.156 1.00 0.00 H new ATOM 0 HB3 CYS A 337 -8.100 1.326 -2.255 1.00 0.00 H new ATOM 0 HG CYS A 337 -10.639 1.117 -3.757 1.00 0.00 H new ATOM 661 N SER A 338 -10.975 1.622 0.660 1.00 0.00 N ATOM 662 CA SER A 338 -12.223 2.026 1.312 1.00 0.00 C ATOM 663 C SER A 338 -13.369 2.186 0.314 1.00 0.00 C ATOM 664 O SER A 338 -14.457 1.652 0.523 1.00 0.00 O ATOM 665 CB SER A 338 -12.016 3.334 2.077 1.00 0.00 C ATOM 666 OG SER A 338 -11.545 4.359 1.218 1.00 0.00 O ATOM 0 H SER A 338 -10.137 2.021 1.083 1.00 0.00 H new ATOM 0 HA SER A 338 -12.498 1.232 2.006 1.00 0.00 H new ATOM 0 HB2 SER A 338 -12.955 3.643 2.536 1.00 0.00 H new ATOM 0 HB3 SER A 338 -11.302 3.177 2.886 1.00 0.00 H new ATOM 0 HG SER A 338 -11.422 5.185 1.731 1.00 0.00 H new ATOM 672 N SER A 339 -13.127 2.927 -0.763 1.00 0.00 N ATOM 673 CA SER A 339 -14.146 3.138 -1.783 1.00 0.00 C ATOM 674 C SER A 339 -14.615 1.808 -2.370 1.00 0.00 C ATOM 675 O SER A 339 -15.816 1.530 -2.440 1.00 0.00 O ATOM 676 CB SER A 339 -13.598 4.033 -2.883 1.00 0.00 C ATOM 677 OG SER A 339 -14.548 4.217 -3.919 1.00 0.00 O ATOM 0 H SER A 339 -12.237 3.389 -0.951 1.00 0.00 H new ATOM 0 HA SER A 339 -15.004 3.624 -1.318 1.00 0.00 H new ATOM 0 HB2 SER A 339 -13.322 5.001 -2.464 1.00 0.00 H new ATOM 0 HB3 SER A 339 -12.689 3.593 -3.294 1.00 0.00 H new ATOM 0 HG SER A 339 -14.169 4.798 -4.611 1.00 0.00 H new ATOM 683 N CYS A 340 -13.654 0.985 -2.774 1.00 0.00 N ATOM 684 CA CYS A 340 -13.943 -0.313 -3.351 1.00 0.00 C ATOM 685 C CYS A 340 -14.639 -1.202 -2.331 1.00 0.00 C ATOM 686 O CYS A 340 -15.332 -2.153 -2.689 1.00 0.00 O ATOM 687 CB CYS A 340 -12.652 -0.973 -3.831 1.00 0.00 C ATOM 688 SG CYS A 340 -11.985 -0.282 -5.380 1.00 0.00 S ATOM 0 H CYS A 340 -12.659 1.201 -2.709 1.00 0.00 H new ATOM 0 HA CYS A 340 -14.607 -0.176 -4.204 1.00 0.00 H new ATOM 0 HB2 CYS A 340 -11.897 -0.878 -3.050 1.00 0.00 H new ATOM 0 HB3 CYS A 340 -12.833 -2.039 -3.971 1.00 0.00 H new ATOM 0 HG CYS A 340 -10.686 -0.329 -5.352 1.00 0.00 H new ATOM 693 N LEU A 341 -14.443 -0.881 -1.057 1.00 0.00 N ATOM 694 CA LEU A 341 -15.045 -1.633 0.031 1.00 0.00 C ATOM 695 C LEU A 341 -16.535 -1.349 0.124 1.00 0.00 C ATOM 696 O LEU A 341 -17.351 -2.270 0.178 1.00 0.00 O ATOM 697 CB LEU A 341 -14.362 -1.298 1.349 1.00 0.00 C ATOM 698 CG LEU A 341 -13.218 -2.227 1.754 1.00 0.00 C ATOM 699 CD1 LEU A 341 -13.693 -3.665 1.800 1.00 0.00 C ATOM 700 CD2 LEU A 341 -12.050 -2.079 0.806 1.00 0.00 C ATOM 0 H LEU A 341 -13.866 -0.097 -0.753 1.00 0.00 H new ATOM 0 HA LEU A 341 -14.910 -2.695 -0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 341 -13.976 -0.280 1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 341 -15.112 -1.309 2.140 1.00 0.00 H new ATOM 0 HG LEU A 341 -12.883 -1.945 2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 341 -12.865 -4.312 2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 341 -14.499 -3.759 2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 341 -14.056 -3.960 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 341 -11.246 -2.749 1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 341 -12.368 -2.332 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 341 -11.692 -1.050 0.827 1.00 0.00 H new ATOM 803 N ALA B 1 -2.408 -8.112 -1.349 1.00 0.00 N ATOM 804 CA ALA B 1 -2.652 -6.706 -0.936 1.00 0.00 C ATOM 805 C ALA B 1 -1.793 -5.733 -1.739 1.00 0.00 C ATOM 806 O ALA B 1 -2.221 -4.616 -2.035 1.00 0.00 O ATOM 807 CB ALA B 1 -2.367 -6.555 0.543 1.00 0.00 C ATOM 0 H1 ALA B 1 -2.942 -8.754 -0.729 1.00 0.00 H new ATOM 0 H2 ALA B 1 -2.718 -8.244 -2.333 1.00 0.00 H new ATOM 0 H3 ALA B 1 -1.393 -8.324 -1.275 1.00 0.00 H new ATOM 0 HA ALA B 1 -3.697 -6.467 -1.133 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -2.546 -5.523 0.845 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -3.022 -7.218 1.109 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -1.327 -6.816 0.742 1.00 0.00 H new ATOM 815 N ARG B 2 -0.581 -6.164 -2.079 1.00 0.00 N ATOM 816 CA ARG B 2 0.347 -5.337 -2.847 1.00 0.00 C ATOM 817 C ARG B 2 0.753 -4.086 -2.070 1.00 0.00 C ATOM 818 O ARG B 2 0.259 -2.991 -2.340 1.00 0.00 O ATOM 819 CB ARG B 2 -0.268 -4.934 -4.193 1.00 0.00 C ATOM 820 CG ARG B 2 -0.424 -6.089 -5.171 1.00 0.00 C ATOM 821 CD ARG B 2 -1.627 -6.954 -4.831 1.00 0.00 C ATOM 822 NE ARG B 2 -1.833 -8.018 -5.810 1.00 0.00 N ATOM 823 CZ ARG B 2 -3.032 -8.451 -6.192 1.00 0.00 C ATOM 824 NH1 ARG B 2 -4.130 -7.905 -5.684 1.00 0.00 N ATOM 825 NH2 ARG B 2 -3.134 -9.428 -7.080 1.00 0.00 N ATOM 0 H ARG B 2 -0.217 -7.085 -1.834 1.00 0.00 H new ATOM 0 HA ARG B 2 1.240 -5.935 -3.029 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -1.246 -4.487 -4.015 1.00 0.00 H new ATOM 0 HB3 ARG B 2 0.355 -4.165 -4.650 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -0.531 -5.697 -6.183 1.00 0.00 H new ATOM 0 HG3 ARG B 2 0.479 -6.700 -5.160 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -1.490 -7.393 -3.843 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -2.519 -6.330 -4.781 1.00 0.00 H new ATOM 0 HE ARG B 2 -1.010 -8.455 -6.225 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -4.056 -7.152 -5.000 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -5.048 -8.238 -5.978 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -2.293 -9.850 -7.473 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -4.054 -9.758 -7.371 1.00 0.00 H new ATOM 839 N THR B 3 1.653 -4.254 -1.104 1.00 0.00 N ATOM 840 CA THR B 3 2.135 -3.131 -0.302 1.00 0.00 C ATOM 841 C THR B 3 3.659 -3.039 -0.376 1.00 0.00 C ATOM 842 O THR B 3 4.365 -3.964 0.026 1.00 0.00 O ATOM 843 CB THR B 3 1.708 -3.245 1.178 1.00 0.00 C ATOM 844 OG1 THR B 3 2.692 -3.964 1.928 1.00 0.00 O ATOM 845 CG2 THR B 3 0.366 -3.945 1.306 1.00 0.00 C ATOM 0 H THR B 3 2.063 -5.155 -0.858 1.00 0.00 H new ATOM 0 HA THR B 3 1.685 -2.230 -0.718 1.00 0.00 H new ATOM 0 HB THR B 3 1.616 -2.234 1.576 1.00 0.00 H new ATOM 0 HG1 THR B 3 3.297 -4.428 1.313 1.00 0.00 H new ATOM 0 HG21 THR B 3 0.089 -4.012 2.358 1.00 0.00 H new ATOM 0 HG22 THR B 3 -0.393 -3.378 0.767 1.00 0.00 H new ATOM 0 HG23 THR B 3 0.437 -4.948 0.885 1.00 0.00 H new ATOM 853 N LYS B 4 4.162 -1.924 -0.900 1.00 0.00 N ATOM 854 CA LYS B 4 5.604 -1.727 -1.026 1.00 0.00 C ATOM 855 C LYS B 4 6.087 -0.599 -0.121 1.00 0.00 C ATOM 856 O LYS B 4 5.315 0.283 0.257 1.00 0.00 O ATOM 857 CB LYS B 4 5.981 -1.422 -2.479 1.00 0.00 C ATOM 858 CG LYS B 4 5.308 -0.180 -3.040 1.00 0.00 C ATOM 859 CD LYS B 4 6.177 0.500 -4.087 1.00 0.00 C ATOM 860 CE LYS B 4 5.500 1.740 -4.652 1.00 0.00 C ATOM 861 NZ LYS B 4 6.369 2.449 -5.633 1.00 0.00 N ATOM 0 H LYS B 4 3.597 -1.147 -1.242 1.00 0.00 H new ATOM 0 HA LYS B 4 6.092 -2.652 -0.717 1.00 0.00 H new ATOM 0 HB2 LYS B 4 7.062 -1.300 -2.546 1.00 0.00 H new ATOM 0 HB3 LYS B 4 5.718 -2.278 -3.100 1.00 0.00 H new ATOM 0 HG2 LYS B 4 4.350 -0.452 -3.482 1.00 0.00 H new ATOM 0 HG3 LYS B 4 5.098 0.519 -2.230 1.00 0.00 H new ATOM 0 HD2 LYS B 4 7.134 0.776 -3.644 1.00 0.00 H new ATOM 0 HD3 LYS B 4 6.390 -0.200 -4.895 1.00 0.00 H new ATOM 0 HE2 LYS B 4 4.565 1.455 -5.135 1.00 0.00 H new ATOM 0 HE3 LYS B 4 5.245 2.417 -3.837 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 5.872 3.288 -5.995 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 7.251 2.743 -5.166 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 6.592 1.811 -6.424 1.00 0.00 H new ATOM 875 N GLN B 5 7.371 -0.637 0.224 1.00 0.00 N ATOM 876 CA GLN B 5 7.966 0.380 1.085 1.00 0.00 C ATOM 877 C GLN B 5 8.257 1.655 0.299 1.00 0.00 C ATOM 878 O GLN B 5 9.400 1.924 -0.070 1.00 0.00 O ATOM 879 CB GLN B 5 9.251 -0.148 1.725 1.00 0.00 C ATOM 880 CG GLN B 5 9.030 -1.344 2.637 1.00 0.00 C ATOM 881 CD GLN B 5 10.310 -1.817 3.299 1.00 0.00 C ATOM 882 OE1 GLN B 5 10.669 -1.356 4.382 1.00 0.00 O ATOM 883 NE2 GLN B 5 11.004 -2.741 2.648 1.00 0.00 N ATOM 0 H GLN B 5 8.020 -1.363 -0.080 1.00 0.00 H new ATOM 0 HA GLN B 5 7.251 0.617 1.873 1.00 0.00 H new ATOM 0 HB2 GLN B 5 9.951 -0.427 0.938 1.00 0.00 H new ATOM 0 HB3 GLN B 5 9.718 0.654 2.298 1.00 0.00 H new ATOM 0 HG2 GLN B 5 8.304 -1.081 3.406 1.00 0.00 H new ATOM 0 HG3 GLN B 5 8.600 -2.162 2.059 1.00 0.00 H new ATOM 0 HE21 GLN B 5 10.668 -3.094 1.752 1.00 0.00 H new ATOM 0 HE22 GLN B 5 11.874 -3.098 3.043 1.00 0.00 H new ATOM 892 N THR B 6 7.208 2.431 0.048 1.00 0.00 N ATOM 893 CA THR B 6 7.327 3.683 -0.690 1.00 0.00 C ATOM 894 C THR B 6 8.302 4.636 -0.001 1.00 0.00 C ATOM 895 O THR B 6 8.059 5.089 1.116 1.00 0.00 O ATOM 896 CB THR B 6 5.945 4.355 -0.836 1.00 0.00 C ATOM 897 OG1 THR B 6 5.199 3.707 -1.873 1.00 0.00 O ATOM 898 CG2 THR B 6 6.054 5.843 -1.146 1.00 0.00 C ATOM 0 H THR B 6 6.258 2.212 0.348 1.00 0.00 H new ATOM 0 HA THR B 6 7.716 3.452 -1.682 1.00 0.00 H new ATOM 0 HB THR B 6 5.433 4.253 0.121 1.00 0.00 H new ATOM 0 HG1 THR B 6 5.116 4.309 -2.641 1.00 0.00 H new ATOM 0 HG21 THR B 6 5.055 6.269 -1.239 1.00 0.00 H new ATOM 0 HG22 THR B 6 6.589 6.344 -0.339 1.00 0.00 H new ATOM 0 HG23 THR B 6 6.596 5.981 -2.082 1.00 0.00 H new