USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 680 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 Single : A 31 ASN :FLIP amide:sc= -1.48 F(o=-4.1!,f=-1.5) USER MOD Single : A 37 HIS : no HD1:sc= -9.53! C(o=-9.5!,f=-11!) USER MOD Single : B 31 ASN :FLIP amide:sc= -0.0271 F(o=-1.9!,f=-0.027) USER MOD Single : B 37 HIS : no HD1:sc= -9.72! C(o=-9.7!,f=-12!) USER MOD Single : C 31 ASN :FLIP amide:sc= -1.44 F(o=-4.1!,f=-1.4) USER MOD Single : C 37 HIS : no HD1:sc= -9.48! C(o=-9.5!,f=-11!) USER MOD Single : D 31 ASN :FLIP amide:sc= -0.0974 F(o=-2!,f=-0.097) USER MOD Single : D 37 HIS : no HD1:sc= -9.58! C(o=-9.6!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -0.761 12.792 -5.152 1.00 0.00 N ATOM 108 CA VAL A 27 -1.472 12.499 -3.907 1.00 0.00 C ATOM 109 C VAL A 27 -2.812 11.827 -4.194 1.00 0.00 C ATOM 110 O VAL A 27 -3.140 10.800 -3.601 1.00 0.00 O ATOM 111 CB VAL A 27 -1.703 13.800 -3.127 1.00 0.00 C ATOM 112 CG1 VAL A 27 -2.606 13.537 -1.918 1.00 0.00 C ATOM 113 CG2 VAL A 27 -0.358 14.347 -2.644 1.00 0.00 C ATOM 0 HA VAL A 27 -0.864 11.818 -3.312 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.186 14.526 -3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.763 14.467 -1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.566 13.150 -2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.132 12.807 -1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.519 15.271 -2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.121 13.614 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.283 14.546 -3.503 1.00 0.00 H new ATOM 123 N VAL A 28 -3.577 12.410 -5.108 1.00 0.00 N ATOM 124 CA VAL A 28 -4.877 11.854 -5.469 1.00 0.00 C ATOM 125 C VAL A 28 -4.706 10.537 -6.218 1.00 0.00 C ATOM 126 O VAL A 28 -5.432 9.572 -5.974 1.00 0.00 O ATOM 127 CB VAL A 28 -5.653 12.846 -6.337 1.00 0.00 C ATOM 128 CG1 VAL A 28 -5.956 14.107 -5.528 1.00 0.00 C ATOM 129 CG2 VAL A 28 -4.814 13.221 -7.559 1.00 0.00 C ATOM 0 H VAL A 28 -3.324 13.261 -5.610 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.437 11.667 -4.553 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.587 12.387 -6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.509 14.813 -6.148 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.554 13.844 -4.655 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.021 14.564 -5.203 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.367 13.928 -8.177 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.880 13.678 -7.233 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.596 12.325 -8.140 1.00 0.00 H new ATOM 139 N ALA A 29 -3.744 10.509 -7.135 1.00 0.00 N ATOM 140 CA ALA A 29 -3.487 9.309 -7.921 1.00 0.00 C ATOM 141 C ALA A 29 -3.048 8.161 -7.021 1.00 0.00 C ATOM 142 O ALA A 29 -3.459 7.018 -7.216 1.00 0.00 O ATOM 143 CB ALA A 29 -2.393 9.585 -8.956 1.00 0.00 C ATOM 0 H ALA A 29 -3.134 11.298 -7.351 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.410 9.030 -8.428 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.208 8.683 -9.539 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.715 10.387 -9.621 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.477 9.882 -8.446 1.00 0.00 H new ATOM 149 N ALA A 30 -2.213 8.468 -6.037 1.00 0.00 N ATOM 150 CA ALA A 30 -1.731 7.445 -5.120 1.00 0.00 C ATOM 151 C ALA A 30 -2.888 6.842 -4.335 1.00 0.00 C ATOM 152 O ALA A 30 -2.953 5.627 -4.142 1.00 0.00 O ATOM 153 CB ALA A 30 -0.716 8.052 -4.148 1.00 0.00 C ATOM 0 H ALA A 30 -1.859 9.407 -5.855 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.252 6.658 -5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.360 7.281 -3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.126 8.458 -4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.191 8.850 -3.578 1.00 0.00 H new ATOM 159 N ASN A 31 -3.801 7.695 -3.885 1.00 0.00 N ATOM 160 CA ASN A 31 -4.953 7.228 -3.122 1.00 0.00 C ATOM 161 C ASN A 31 -5.851 6.345 -3.985 1.00 0.00 C ATOM 162 O ASN A 31 -6.335 5.309 -3.532 1.00 0.00 O ATOM 163 CB ASN A 31 -5.758 8.425 -2.611 1.00 0.00 C ATOM 164 CG ASN A 31 -4.965 9.188 -1.551 1.00 0.00 C ATOM 165 OD1 ASN A 31 -3.940 8.622 -0.970 1.00 0.00 O flip ATOM 166 ND2 ASN A 31 -5.286 10.338 -1.247 1.00 0.00 N flip ATOM 0 H ASN A 31 -3.768 8.704 -4.033 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.590 6.642 -2.278 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.000 9.089 -3.441 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.703 8.082 -2.190 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.086 10.781 -1.700 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.752 10.847 -0.543 1.00 0.00 H new ATOM 173 N ILE A 32 -6.067 6.760 -5.232 1.00 0.00 N ATOM 174 CA ILE A 32 -6.911 5.992 -6.143 1.00 0.00 C ATOM 175 C ILE A 32 -6.278 4.636 -6.446 1.00 0.00 C ATOM 176 O ILE A 32 -6.956 3.608 -6.446 1.00 0.00 O ATOM 177 CB ILE A 32 -7.117 6.774 -7.445 1.00 0.00 C ATOM 178 CG1 ILE A 32 -7.950 8.025 -7.158 1.00 0.00 C ATOM 179 CG2 ILE A 32 -7.856 5.900 -8.463 1.00 0.00 C ATOM 180 CD1 ILE A 32 -7.924 8.950 -8.375 1.00 0.00 C ATOM 0 H ILE A 32 -5.674 7.613 -5.630 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.877 5.825 -5.666 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.146 7.060 -7.850 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.977 7.744 -6.924 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.555 8.545 -6.285 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.000 6.460 -9.387 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.268 5.005 -8.669 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.826 5.612 -8.059 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.518 9.840 -8.168 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.896 9.241 -8.589 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.340 8.429 -9.237 1.00 0.00 H new ATOM 192 N ILE A 33 -4.975 4.643 -6.704 1.00 0.00 N ATOM 193 CA ILE A 33 -4.256 3.412 -7.008 1.00 0.00 C ATOM 194 C ILE A 33 -4.267 2.463 -5.808 1.00 0.00 C ATOM 195 O ILE A 33 -4.481 1.261 -5.962 1.00 0.00 O ATOM 196 CB ILE A 33 -2.812 3.741 -7.410 1.00 0.00 C ATOM 197 CG1 ILE A 33 -2.811 4.457 -8.765 1.00 0.00 C ATOM 198 CG2 ILE A 33 -1.994 2.450 -7.513 1.00 0.00 C ATOM 199 CD1 ILE A 33 -1.421 5.036 -9.040 1.00 0.00 C ATOM 0 H ILE A 33 -4.397 5.484 -6.709 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.756 2.914 -7.838 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.367 4.388 -6.654 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.088 3.760 -9.556 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.555 5.254 -8.767 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.970 2.690 -7.799 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.992 1.942 -6.548 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.437 1.798 -8.265 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.423 5.545 -10.004 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.161 5.747 -8.255 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.688 4.230 -9.057 1.00 0.00 H new ATOM 211 N GLY A 34 -4.032 3.006 -4.617 1.00 0.00 N ATOM 212 CA GLY A 34 -4.015 2.187 -3.408 1.00 0.00 C ATOM 213 C GLY A 34 -5.376 1.539 -3.170 1.00 0.00 C ATOM 214 O GLY A 34 -5.465 0.349 -2.858 1.00 0.00 O ATOM 0 H GLY A 34 -3.853 3.998 -4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.251 1.415 -3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.746 2.803 -2.550 1.00 0.00 H new ATOM 218 N ILE A 35 -6.433 2.327 -3.324 1.00 0.00 N ATOM 219 CA ILE A 35 -7.788 1.825 -3.130 1.00 0.00 C ATOM 220 C ILE A 35 -8.105 0.753 -4.170 1.00 0.00 C ATOM 221 O ILE A 35 -8.689 -0.287 -3.853 1.00 0.00 O ATOM 222 CB ILE A 35 -8.787 2.982 -3.237 1.00 0.00 C ATOM 223 CG1 ILE A 35 -8.585 3.928 -2.047 1.00 0.00 C ATOM 224 CG2 ILE A 35 -10.215 2.432 -3.212 1.00 0.00 C ATOM 225 CD1 ILE A 35 -9.299 5.252 -2.315 1.00 0.00 C ATOM 0 H ILE A 35 -6.379 3.312 -3.582 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.866 1.379 -2.138 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.625 3.521 -4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.974 3.471 -1.137 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.521 4.103 -1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.924 3.257 -3.288 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.358 1.752 -4.052 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.382 1.895 -2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.154 5.922 -1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.889 5.711 -3.215 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.365 5.069 -2.454 1.00 0.00 H new ATOM 237 N LEU A 36 -7.709 1.010 -5.411 1.00 0.00 N ATOM 238 CA LEU A 36 -7.949 0.061 -6.491 1.00 0.00 C ATOM 239 C LEU A 36 -7.244 -1.256 -6.190 1.00 0.00 C ATOM 240 O LEU A 36 -7.775 -2.332 -6.463 1.00 0.00 O ATOM 241 CB LEU A 36 -7.443 0.632 -7.821 1.00 0.00 C ATOM 242 CG LEU A 36 -7.729 -0.347 -8.971 1.00 0.00 C ATOM 243 CD1 LEU A 36 -9.242 -0.595 -9.101 1.00 0.00 C ATOM 244 CD2 LEU A 36 -7.194 0.254 -10.276 1.00 0.00 C ATOM 0 H LEU A 36 -7.224 1.862 -5.693 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.021 -0.117 -6.571 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.927 1.588 -8.021 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.372 0.824 -7.757 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.238 -1.298 -8.765 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.428 -1.290 -9.920 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.622 -1.019 -8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.749 0.348 -9.304 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.391 -0.432 -11.100 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.690 1.205 -10.469 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.120 0.417 -10.188 1.00 0.00 H new ATOM 256 N HIS A 37 -6.047 -1.164 -5.622 1.00 0.00 N ATOM 257 CA HIS A 37 -5.283 -2.356 -5.289 1.00 0.00 C ATOM 258 C HIS A 37 -6.087 -3.237 -4.343 1.00 0.00 C ATOM 259 O HIS A 37 -6.116 -4.458 -4.491 1.00 0.00 O ATOM 260 CB HIS A 37 -3.965 -1.976 -4.615 1.00 0.00 C ATOM 261 CG HIS A 37 -3.181 -3.231 -4.335 1.00 0.00 C ATOM 262 ND1 HIS A 37 -1.949 -3.482 -4.914 1.00 0.00 N ATOM 263 CD2 HIS A 37 -3.454 -4.323 -3.553 1.00 0.00 C ATOM 264 CE1 HIS A 37 -1.535 -4.685 -4.476 1.00 0.00 C ATOM 265 NE2 HIS A 37 -2.415 -5.239 -3.646 1.00 0.00 N ATOM 0 H HIS A 37 -5.589 -0.284 -5.385 1.00 0.00 H new ATOM 0 HA HIS A 37 -5.072 -2.898 -6.211 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.391 -1.309 -5.258 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.158 -1.437 -3.687 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.344 -4.452 -2.954 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.601 -5.145 -4.763 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.342 -6.143 -3.178 1.00 0.00 H new ATOM 273 N LEU A 38 -6.741 -2.612 -3.372 1.00 0.00 N ATOM 274 CA LEU A 38 -7.538 -3.359 -2.406 1.00 0.00 C ATOM 275 C LEU A 38 -8.662 -4.123 -3.098 1.00 0.00 C ATOM 276 O LEU A 38 -8.958 -5.254 -2.724 1.00 0.00 O ATOM 277 CB LEU A 38 -8.126 -2.401 -1.347 1.00 0.00 C ATOM 278 CG LEU A 38 -7.163 -2.273 -0.146 1.00 0.00 C ATOM 279 CD1 LEU A 38 -7.419 -0.960 0.593 1.00 0.00 C ATOM 280 CD2 LEU A 38 -7.378 -3.451 0.825 1.00 0.00 C ATOM 0 H LEU A 38 -6.736 -1.602 -3.233 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.886 -4.081 -1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.298 -1.420 -1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.093 -2.772 -1.008 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.138 -2.286 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.735 -0.879 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.258 -0.123 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.447 -0.941 0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.696 -3.355 1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.406 -3.442 1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.184 -4.390 0.307 1.00 0.00 H new ATOM 292 N ILE A 39 -9.290 -3.507 -4.088 1.00 0.00 N ATOM 293 CA ILE A 39 -10.386 -4.166 -4.787 1.00 0.00 C ATOM 294 C ILE A 39 -9.893 -5.433 -5.481 1.00 0.00 C ATOM 295 O ILE A 39 -10.543 -6.475 -5.424 1.00 0.00 O ATOM 296 CB ILE A 39 -10.984 -3.210 -5.822 1.00 0.00 C ATOM 297 CG1 ILE A 39 -11.658 -2.045 -5.095 1.00 0.00 C ATOM 298 CG2 ILE A 39 -12.027 -3.949 -6.670 1.00 0.00 C ATOM 299 CD1 ILE A 39 -12.049 -0.955 -6.099 1.00 0.00 C ATOM 0 H ILE A 39 -9.067 -2.569 -4.422 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.150 -4.441 -4.060 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.192 -2.836 -6.471 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.543 -2.399 -4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.982 -1.634 -4.345 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.450 -3.264 -7.405 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.552 -4.785 -7.184 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.821 -4.324 -6.025 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.528 -0.130 -5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.156 -0.591 -6.607 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.741 -1.368 -6.833 1.00 0.00 H new ATOM 311 N LEU A 40 -8.749 -5.339 -6.141 1.00 0.00 N ATOM 312 CA LEU A 40 -8.195 -6.492 -6.842 1.00 0.00 C ATOM 313 C LEU A 40 -7.618 -7.512 -5.857 1.00 0.00 C ATOM 314 O LEU A 40 -7.819 -8.715 -6.011 1.00 0.00 O ATOM 315 CB LEU A 40 -7.110 -6.026 -7.815 1.00 0.00 C ATOM 316 CG LEU A 40 -7.736 -5.118 -8.887 1.00 0.00 C ATOM 317 CD1 LEU A 40 -6.623 -4.522 -9.755 1.00 0.00 C ATOM 318 CD2 LEU A 40 -8.715 -5.918 -9.775 1.00 0.00 C ATOM 0 H LEU A 40 -8.190 -4.488 -6.207 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.997 -6.979 -7.396 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.331 -5.486 -7.276 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.634 -6.887 -8.285 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.291 -4.320 -8.394 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.061 -3.877 -10.517 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.948 -3.938 -9.130 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.067 -5.326 -10.237 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.147 -5.257 -10.527 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.179 -6.728 -10.269 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.511 -6.333 -9.157 1.00 0.00 H new ATOM 330 N TRP A 41 -6.891 -7.022 -4.854 1.00 0.00 N ATOM 331 CA TRP A 41 -6.277 -7.902 -3.858 1.00 0.00 C ATOM 332 C TRP A 41 -7.333 -8.599 -2.995 1.00 0.00 C ATOM 333 O TRP A 41 -7.242 -9.802 -2.753 1.00 0.00 O ATOM 334 CB TRP A 41 -5.315 -7.094 -2.977 1.00 0.00 C ATOM 335 CG TRP A 41 -4.849 -7.916 -1.814 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.812 -8.787 -1.829 1.00 0.00 C ATOM 337 CD2 TRP A 41 -5.360 -7.923 -0.451 1.00 0.00 C ATOM 338 NE1 TRP A 41 -3.676 -9.346 -0.572 1.00 0.00 N ATOM 339 CE2 TRP A 41 -4.605 -8.839 0.314 1.00 0.00 C ATOM 340 CE3 TRP A 41 -6.402 -7.228 0.187 1.00 0.00 C ATOM 341 CZ2 TRP A 41 -4.875 -9.058 1.663 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -6.669 -7.443 1.545 1.00 0.00 C ATOM 343 CH2 TRP A 41 -5.908 -8.355 2.279 1.00 0.00 C ATOM 0 H TRP A 41 -6.713 -6.028 -4.709 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.721 -8.677 -4.385 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.458 -6.770 -3.567 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.812 -6.193 -2.617 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.192 -9.009 -2.685 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.976 -10.047 -0.329 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -7.000 -6.524 -0.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.288 -9.768 2.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -7.468 -6.900 2.027 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -6.120 -8.516 3.326 1.00 0.00 H new ATOM 354 N ILE A 42 -8.320 -7.844 -2.521 1.00 0.00 N ATOM 355 CA ILE A 42 -9.357 -8.425 -1.672 1.00 0.00 C ATOM 356 C ILE A 42 -10.179 -9.448 -2.458 1.00 0.00 C ATOM 357 O ILE A 42 -10.466 -10.538 -1.963 1.00 0.00 O ATOM 358 CB ILE A 42 -10.268 -7.314 -1.117 1.00 0.00 C ATOM 359 CG1 ILE A 42 -11.092 -7.849 0.059 1.00 0.00 C ATOM 360 CG2 ILE A 42 -11.223 -6.812 -2.205 1.00 0.00 C ATOM 361 CD1 ILE A 42 -11.819 -6.684 0.734 1.00 0.00 C ATOM 0 H ILE A 42 -8.424 -6.846 -2.705 1.00 0.00 H new ATOM 0 HA ILE A 42 -8.880 -8.937 -0.836 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.637 -6.491 -0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.812 -8.588 -0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.442 -8.352 0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -11.860 -6.027 -1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -10.646 -6.414 -3.040 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.843 -7.638 -2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.407 -7.059 1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -11.089 -5.961 1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.480 -6.201 0.014 1.00 0.00 H new ATOM 373 N LEU A 43 -10.544 -9.093 -3.687 1.00 0.00 N ATOM 374 CA LEU A 43 -11.321 -9.997 -4.531 1.00 0.00 C ATOM 375 C LEU A 43 -10.513 -11.240 -4.885 1.00 0.00 C ATOM 376 O LEU A 43 -11.039 -12.355 -4.874 1.00 0.00 O ATOM 377 CB LEU A 43 -11.751 -9.281 -5.813 1.00 0.00 C ATOM 378 CG LEU A 43 -12.823 -8.229 -5.490 1.00 0.00 C ATOM 379 CD1 LEU A 43 -13.067 -7.367 -6.735 1.00 0.00 C ATOM 380 CD2 LEU A 43 -14.144 -8.913 -5.063 1.00 0.00 C ATOM 0 H LEU A 43 -10.318 -8.196 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.206 -10.304 -3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.889 -8.803 -6.280 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -12.142 -10.003 -6.530 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.475 -7.605 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.827 -6.617 -6.515 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.140 -6.871 -7.021 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.408 -8.000 -7.554 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.892 -8.152 -4.838 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.504 -9.547 -5.873 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.968 -9.522 -4.176 1.00 0.00 H new ATOM 392 N ASP A 44 -9.238 -11.047 -5.203 1.00 0.00 N ATOM 393 CA ASP A 44 -8.374 -12.164 -5.564 1.00 0.00 C ATOM 394 C ASP A 44 -8.234 -13.130 -4.392 1.00 0.00 C ATOM 395 O ASP A 44 -8.280 -14.348 -4.570 1.00 0.00 O ATOM 396 CB ASP A 44 -6.991 -11.649 -5.976 1.00 0.00 C ATOM 397 CG ASP A 44 -7.073 -10.960 -7.335 1.00 0.00 C ATOM 398 OD1 ASP A 44 -8.118 -11.044 -7.958 1.00 0.00 O ATOM 399 OD2 ASP A 44 -6.087 -10.360 -7.734 1.00 0.00 O ATOM 0 H ASP A 44 -8.782 -10.134 -5.218 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.826 -12.691 -6.404 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.616 -10.951 -5.227 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.284 -12.478 -6.021 1.00 0.00 H new ATOM 404 N ARG A 45 -8.061 -12.578 -3.198 1.00 0.00 N ATOM 405 CA ARG A 45 -7.911 -13.396 -1.999 1.00 0.00 C ATOM 406 C ARG A 45 -9.233 -14.073 -1.639 1.00 0.00 C ATOM 407 O ARG A 45 -9.256 -15.058 -0.902 1.00 0.00 O ATOM 408 CB ARG A 45 -7.440 -12.522 -0.825 1.00 0.00 C ATOM 409 CG ARG A 45 -6.796 -13.395 0.272 1.00 0.00 C ATOM 410 CD ARG A 45 -5.303 -13.595 -0.023 1.00 0.00 C ATOM 411 NE ARG A 45 -4.708 -14.486 0.968 1.00 0.00 N ATOM 412 CZ ARG A 45 -4.231 -14.023 2.121 1.00 0.00 C ATOM 413 NH1 ARG A 45 -4.307 -12.750 2.393 1.00 0.00 N ATOM 414 NH2 ARG A 45 -3.690 -14.842 2.980 1.00 0.00 N ATOM 0 H ARG A 45 -8.021 -11.572 -3.033 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.167 -14.167 -2.199 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.721 -11.783 -1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.285 -11.972 -0.411 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.922 -12.921 1.246 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.298 -14.361 0.320 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.175 -14.013 -1.022 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.791 -12.633 -0.012 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.657 -15.486 0.773 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.732 -12.110 1.722 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.942 -12.395 3.276 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.632 -15.838 2.768 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.325 -14.486 3.863 1.00 0.00 H new ATOM 617 N VAL B 27 6.856 11.986 0.396 1.00 0.00 N ATOM 618 CA VAL B 27 5.572 11.924 -0.302 1.00 0.00 C ATOM 619 C VAL B 27 5.745 11.350 -1.705 1.00 0.00 C ATOM 620 O VAL B 27 5.016 10.444 -2.108 1.00 0.00 O ATOM 621 CB VAL B 27 4.967 13.331 -0.392 1.00 0.00 C ATOM 622 CG1 VAL B 27 3.714 13.311 -1.273 1.00 0.00 C ATOM 623 CG2 VAL B 27 4.592 13.815 1.010 1.00 0.00 C ATOM 0 HA VAL B 27 4.904 11.271 0.259 1.00 0.00 H new ATOM 0 HB VAL B 27 5.702 14.005 -0.832 1.00 0.00 H new ATOM 0 HG11 VAL B 27 3.293 14.315 -1.330 1.00 0.00 H new ATOM 0 HG12 VAL B 27 3.979 12.971 -2.274 1.00 0.00 H new ATOM 0 HG13 VAL B 27 2.977 12.632 -0.843 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.162 14.815 0.947 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.863 13.133 1.447 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.484 13.842 1.636 1.00 0.00 H new ATOM 633 N VAL B 28 6.715 11.879 -2.440 1.00 0.00 N ATOM 634 CA VAL B 28 6.975 11.406 -3.796 1.00 0.00 C ATOM 635 C VAL B 28 7.549 9.994 -3.769 1.00 0.00 C ATOM 636 O VAL B 28 7.168 9.143 -4.571 1.00 0.00 O ATOM 637 CB VAL B 28 7.954 12.345 -4.503 1.00 0.00 C ATOM 638 CG1 VAL B 28 7.313 13.724 -4.666 1.00 0.00 C ATOM 639 CG2 VAL B 28 9.228 12.479 -3.670 1.00 0.00 C ATOM 0 H VAL B 28 7.330 12.629 -2.125 1.00 0.00 H new ATOM 0 HA VAL B 28 6.031 11.393 -4.341 1.00 0.00 H new ATOM 0 HB VAL B 28 8.199 11.936 -5.483 1.00 0.00 H new ATOM 0 HG11 VAL B 28 8.011 14.392 -5.170 1.00 0.00 H new ATOM 0 HG12 VAL B 28 6.403 13.635 -5.260 1.00 0.00 H new ATOM 0 HG13 VAL B 28 7.067 14.129 -3.684 1.00 0.00 H new ATOM 0 HG21 VAL B 28 9.924 13.148 -4.175 1.00 0.00 H new ATOM 0 HG22 VAL B 28 8.980 12.886 -2.689 1.00 0.00 H new ATOM 0 HG23 VAL B 28 9.689 11.499 -3.550 1.00 0.00 H new ATOM 649 N ALA B 29 8.469 9.758 -2.841 1.00 0.00 N ATOM 650 CA ALA B 29 9.098 8.447 -2.718 1.00 0.00 C ATOM 651 C ALA B 29 8.063 7.388 -2.358 1.00 0.00 C ATOM 652 O ALA B 29 8.098 6.274 -2.877 1.00 0.00 O ATOM 653 CB ALA B 29 10.180 8.485 -1.637 1.00 0.00 C ATOM 0 H ALA B 29 8.795 10.451 -2.167 1.00 0.00 H new ATOM 0 HA ALA B 29 9.548 8.192 -3.677 1.00 0.00 H new ATOM 0 HB1 ALA B 29 10.644 7.502 -1.552 1.00 0.00 H new ATOM 0 HB2 ALA B 29 10.937 9.222 -1.906 1.00 0.00 H new ATOM 0 HB3 ALA B 29 9.731 8.758 -0.682 1.00 0.00 H new ATOM 659 N ALA B 30 7.140 7.741 -1.470 1.00 0.00 N ATOM 660 CA ALA B 30 6.107 6.803 -1.055 1.00 0.00 C ATOM 661 C ALA B 30 5.230 6.417 -2.240 1.00 0.00 C ATOM 662 O ALA B 30 4.876 5.251 -2.409 1.00 0.00 O ATOM 663 CB ALA B 30 5.241 7.431 0.038 1.00 0.00 C ATOM 0 H ALA B 30 7.087 8.659 -1.029 1.00 0.00 H new ATOM 0 HA ALA B 30 6.590 5.907 -0.666 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.470 6.723 0.343 1.00 0.00 H new ATOM 0 HB2 ALA B 30 5.864 7.682 0.897 1.00 0.00 H new ATOM 0 HB3 ALA B 30 4.771 8.336 -0.346 1.00 0.00 H new ATOM 669 N ASN B 31 4.880 7.404 -3.058 1.00 0.00 N ATOM 670 CA ASN B 31 4.041 7.152 -4.223 1.00 0.00 C ATOM 671 C ASN B 31 4.764 6.251 -5.222 1.00 0.00 C ATOM 672 O ASN B 31 4.171 5.333 -5.787 1.00 0.00 O ATOM 673 CB ASN B 31 3.677 8.475 -4.900 1.00 0.00 C ATOM 674 CG ASN B 31 2.739 9.290 -4.010 1.00 0.00 C ATOM 675 OD1 ASN B 31 2.107 8.709 -3.026 1.00 0.00 O flip ATOM 676 ND2 ASN B 31 2.584 10.493 -4.216 1.00 0.00 N flip ATOM 0 H ASN B 31 5.161 8.377 -2.938 1.00 0.00 H new ATOM 0 HA ASN B 31 3.132 6.651 -3.890 1.00 0.00 H new ATOM 0 HB2 ASN B 31 4.582 9.047 -5.105 1.00 0.00 H new ATOM 0 HB3 ASN B 31 3.199 8.280 -5.860 1.00 0.00 H new ATOM 0 HD21 ASN B 31 3.078 10.947 -4.985 1.00 0.00 H new ATOM 0 HD22 ASN B 31 1.962 11.037 -3.618 1.00 0.00 H new ATOM 683 N ILE B 32 6.050 6.519 -5.438 1.00 0.00 N ATOM 684 CA ILE B 32 6.838 5.724 -6.375 1.00 0.00 C ATOM 685 C ILE B 32 6.972 4.286 -5.878 1.00 0.00 C ATOM 686 O ILE B 32 6.824 3.336 -6.646 1.00 0.00 O ATOM 687 CB ILE B 32 8.229 6.347 -6.545 1.00 0.00 C ATOM 688 CG1 ILE B 32 8.095 7.697 -7.251 1.00 0.00 C ATOM 689 CG2 ILE B 32 9.111 5.421 -7.391 1.00 0.00 C ATOM 690 CD1 ILE B 32 9.423 8.451 -7.178 1.00 0.00 C ATOM 0 H ILE B 32 6.564 7.273 -4.982 1.00 0.00 H new ATOM 0 HA ILE B 32 6.327 5.713 -7.338 1.00 0.00 H new ATOM 0 HB ILE B 32 8.685 6.485 -5.565 1.00 0.00 H new ATOM 0 HG12 ILE B 32 7.808 7.547 -8.292 1.00 0.00 H new ATOM 0 HG13 ILE B 32 7.305 8.286 -6.784 1.00 0.00 H new ATOM 0 HG21 ILE B 32 10.098 5.867 -7.509 1.00 0.00 H new ATOM 0 HG22 ILE B 32 9.206 4.455 -6.894 1.00 0.00 H new ATOM 0 HG23 ILE B 32 8.656 5.281 -8.372 1.00 0.00 H new ATOM 0 HD11 ILE B 32 9.324 9.412 -7.682 1.00 0.00 H new ATOM 0 HD12 ILE B 32 9.692 8.614 -6.134 1.00 0.00 H new ATOM 0 HD13 ILE B 32 10.202 7.864 -7.665 1.00 0.00 H new ATOM 702 N ILE B 33 7.249 4.138 -4.587 1.00 0.00 N ATOM 703 CA ILE B 33 7.401 2.816 -3.992 1.00 0.00 C ATOM 704 C ILE B 33 6.087 2.036 -4.056 1.00 0.00 C ATOM 705 O ILE B 33 6.078 0.849 -4.382 1.00 0.00 O ATOM 706 CB ILE B 33 7.870 2.952 -2.539 1.00 0.00 C ATOM 707 CG1 ILE B 33 9.308 3.483 -2.514 1.00 0.00 C ATOM 708 CG2 ILE B 33 7.820 1.589 -1.847 1.00 0.00 C ATOM 709 CD1 ILE B 33 9.684 3.886 -1.086 1.00 0.00 C ATOM 0 H ILE B 33 7.372 4.913 -3.936 1.00 0.00 H new ATOM 0 HA ILE B 33 8.150 2.263 -4.559 1.00 0.00 H new ATOM 0 HB ILE B 33 7.214 3.646 -2.014 1.00 0.00 H new ATOM 0 HG12 ILE B 33 9.994 2.719 -2.879 1.00 0.00 H new ATOM 0 HG13 ILE B 33 9.401 4.340 -3.181 1.00 0.00 H new ATOM 0 HG21 ILE B 33 8.155 1.693 -0.815 1.00 0.00 H new ATOM 0 HG22 ILE B 33 6.798 1.211 -1.861 1.00 0.00 H new ATOM 0 HG23 ILE B 33 8.472 0.891 -2.371 1.00 0.00 H new ATOM 0 HD11 ILE B 33 10.707 4.263 -1.072 1.00 0.00 H new ATOM 0 HD12 ILE B 33 9.005 4.664 -0.737 1.00 0.00 H new ATOM 0 HD13 ILE B 33 9.608 3.018 -0.431 1.00 0.00 H new ATOM 721 N GLY B 34 4.983 2.703 -3.735 1.00 0.00 N ATOM 722 CA GLY B 34 3.677 2.050 -3.757 1.00 0.00 C ATOM 723 C GLY B 34 3.332 1.569 -5.164 1.00 0.00 C ATOM 724 O GLY B 34 2.865 0.443 -5.350 1.00 0.00 O ATOM 0 H GLY B 34 4.965 3.685 -3.459 1.00 0.00 H new ATOM 0 HA2 GLY B 34 3.677 1.204 -3.069 1.00 0.00 H new ATOM 0 HA3 GLY B 34 2.913 2.745 -3.408 1.00 0.00 H new ATOM 728 N ILE B 35 3.569 2.427 -6.148 1.00 0.00 N ATOM 729 CA ILE B 35 3.288 2.084 -7.537 1.00 0.00 C ATOM 730 C ILE B 35 4.171 0.919 -7.981 1.00 0.00 C ATOM 731 O ILE B 35 3.710 -0.011 -8.647 1.00 0.00 O ATOM 732 CB ILE B 35 3.526 3.306 -8.431 1.00 0.00 C ATOM 733 CG1 ILE B 35 2.473 4.374 -8.110 1.00 0.00 C ATOM 734 CG2 ILE B 35 3.407 2.899 -9.902 1.00 0.00 C ATOM 735 CD1 ILE B 35 2.901 5.713 -8.710 1.00 0.00 C ATOM 0 H ILE B 35 3.954 3.362 -6.012 1.00 0.00 H new ATOM 0 HA ILE B 35 2.245 1.780 -7.626 1.00 0.00 H new ATOM 0 HB ILE B 35 4.524 3.704 -8.248 1.00 0.00 H new ATOM 0 HG12 ILE B 35 1.505 4.077 -8.512 1.00 0.00 H new ATOM 0 HG13 ILE B 35 2.354 4.469 -7.031 1.00 0.00 H new ATOM 0 HG21 ILE B 35 3.577 3.770 -10.535 1.00 0.00 H new ATOM 0 HG22 ILE B 35 4.150 2.135 -10.129 1.00 0.00 H new ATOM 0 HG23 ILE B 35 2.409 2.502 -10.090 1.00 0.00 H new ATOM 0 HD11 ILE B 35 2.152 6.471 -8.481 1.00 0.00 H new ATOM 0 HD12 ILE B 35 3.860 6.012 -8.287 1.00 0.00 H new ATOM 0 HD13 ILE B 35 2.997 5.613 -9.791 1.00 0.00 H new ATOM 747 N LEU B 36 5.444 0.975 -7.599 1.00 0.00 N ATOM 748 CA LEU B 36 6.384 -0.078 -7.957 1.00 0.00 C ATOM 749 C LEU B 36 5.928 -1.406 -7.367 1.00 0.00 C ATOM 750 O LEU B 36 6.046 -2.453 -8.003 1.00 0.00 O ATOM 751 CB LEU B 36 7.787 0.267 -7.439 1.00 0.00 C ATOM 752 CG LEU B 36 8.793 -0.822 -7.846 1.00 0.00 C ATOM 753 CD1 LEU B 36 8.863 -0.942 -9.379 1.00 0.00 C ATOM 754 CD2 LEU B 36 10.176 -0.449 -7.298 1.00 0.00 C ATOM 0 H LEU B 36 5.844 1.733 -7.046 1.00 0.00 H new ATOM 0 HA LEU B 36 6.418 -0.163 -9.043 1.00 0.00 H new ATOM 0 HB2 LEU B 36 8.103 1.230 -7.840 1.00 0.00 H new ATOM 0 HB3 LEU B 36 7.767 0.365 -6.354 1.00 0.00 H new ATOM 0 HG LEU B 36 8.472 -1.780 -7.436 1.00 0.00 H new ATOM 0 HD11 LEU B 36 9.580 -1.717 -9.651 1.00 0.00 H new ATOM 0 HD12 LEU B 36 7.879 -1.204 -9.769 1.00 0.00 H new ATOM 0 HD13 LEU B 36 9.180 0.010 -9.804 1.00 0.00 H new ATOM 0 HD21 LEU B 36 10.898 -1.215 -7.581 1.00 0.00 H new ATOM 0 HD22 LEU B 36 10.485 0.511 -7.712 1.00 0.00 H new ATOM 0 HD23 LEU B 36 10.130 -0.378 -6.211 1.00 0.00 H new ATOM 766 N HIS B 37 5.399 -1.355 -6.148 1.00 0.00 N ATOM 767 CA HIS B 37 4.924 -2.563 -5.490 1.00 0.00 C ATOM 768 C HIS B 37 3.856 -3.231 -6.342 1.00 0.00 C ATOM 769 O HIS B 37 3.842 -4.454 -6.489 1.00 0.00 O ATOM 770 CB HIS B 37 4.332 -2.224 -4.120 1.00 0.00 C ATOM 771 CG HIS B 37 3.897 -3.498 -3.444 1.00 0.00 C ATOM 772 ND1 HIS B 37 4.445 -3.931 -2.251 1.00 0.00 N ATOM 773 CD2 HIS B 37 2.978 -4.452 -3.796 1.00 0.00 C ATOM 774 CE1 HIS B 37 3.859 -5.097 -1.934 1.00 0.00 C ATOM 775 NE2 HIS B 37 2.955 -5.460 -2.843 1.00 0.00 N ATOM 0 H HIS B 37 5.290 -0.500 -5.603 1.00 0.00 H new ATOM 0 HA HIS B 37 5.768 -3.241 -5.360 1.00 0.00 H new ATOM 0 HB2 HIS B 37 5.071 -1.707 -3.508 1.00 0.00 H new ATOM 0 HB3 HIS B 37 3.483 -1.549 -4.233 1.00 0.00 H new ATOM 0 HD2 HIS B 37 2.363 -4.423 -4.683 1.00 0.00 H new ATOM 0 HE1 HIS B 37 4.092 -5.671 -1.049 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.372 -6.297 -2.839 1.00 0.00 H new ATOM 783 N LEU B 38 2.964 -2.429 -6.905 1.00 0.00 N ATOM 784 CA LEU B 38 1.894 -2.964 -7.741 1.00 0.00 C ATOM 785 C LEU B 38 2.459 -3.702 -8.947 1.00 0.00 C ATOM 786 O LEU B 38 1.936 -4.742 -9.334 1.00 0.00 O ATOM 787 CB LEU B 38 0.960 -1.823 -8.204 1.00 0.00 C ATOM 788 CG LEU B 38 -0.200 -1.639 -7.202 1.00 0.00 C ATOM 789 CD1 LEU B 38 -0.771 -0.226 -7.315 1.00 0.00 C ATOM 790 CD2 LEU B 38 -1.314 -2.662 -7.493 1.00 0.00 C ATOM 0 H LEU B 38 2.957 -1.414 -6.801 1.00 0.00 H new ATOM 0 HA LEU B 38 1.321 -3.675 -7.146 1.00 0.00 H new ATOM 0 HB2 LEU B 38 1.525 -0.895 -8.291 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.562 -2.048 -9.194 1.00 0.00 H new ATOM 0 HG LEU B 38 0.182 -1.795 -6.193 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -1.589 -0.106 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU B 38 0.011 0.501 -7.095 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -1.143 -0.064 -8.327 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.128 -2.525 -6.782 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -1.688 -2.514 -8.506 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -0.915 -3.672 -7.398 1.00 0.00 H new ATOM 802 N ILE B 39 3.510 -3.163 -9.545 1.00 0.00 N ATOM 803 CA ILE B 39 4.098 -3.800 -10.716 1.00 0.00 C ATOM 804 C ILE B 39 4.627 -5.189 -10.361 1.00 0.00 C ATOM 805 O ILE B 39 4.425 -6.150 -11.100 1.00 0.00 O ATOM 806 CB ILE B 39 5.242 -2.937 -11.255 1.00 0.00 C ATOM 807 CG1 ILE B 39 4.662 -1.628 -11.800 1.00 0.00 C ATOM 808 CG2 ILE B 39 5.964 -3.676 -12.386 1.00 0.00 C ATOM 809 CD1 ILE B 39 5.793 -0.645 -12.119 1.00 0.00 C ATOM 0 H ILE B 39 3.968 -2.302 -9.247 1.00 0.00 H new ATOM 0 HA ILE B 39 3.327 -3.903 -11.480 1.00 0.00 H new ATOM 0 HB ILE B 39 5.950 -2.730 -10.452 1.00 0.00 H new ATOM 0 HG12 ILE B 39 4.077 -1.826 -12.698 1.00 0.00 H new ATOM 0 HG13 ILE B 39 3.983 -1.189 -11.069 1.00 0.00 H new ATOM 0 HG21 ILE B 39 6.777 -3.056 -12.765 1.00 0.00 H new ATOM 0 HG22 ILE B 39 6.369 -4.614 -12.007 1.00 0.00 H new ATOM 0 HG23 ILE B 39 5.260 -3.884 -13.192 1.00 0.00 H new ATOM 0 HD11 ILE B 39 5.371 0.282 -12.506 1.00 0.00 H new ATOM 0 HD12 ILE B 39 6.359 -0.435 -11.212 1.00 0.00 H new ATOM 0 HD13 ILE B 39 6.455 -1.082 -12.867 1.00 0.00 H new ATOM 821 N LEU B 40 5.315 -5.290 -9.234 1.00 0.00 N ATOM 822 CA LEU B 40 5.867 -6.570 -8.805 1.00 0.00 C ATOM 823 C LEU B 40 4.767 -7.503 -8.295 1.00 0.00 C ATOM 824 O LEU B 40 4.757 -8.691 -8.610 1.00 0.00 O ATOM 825 CB LEU B 40 6.911 -6.337 -7.713 1.00 0.00 C ATOM 826 CG LEU B 40 8.084 -5.521 -8.285 1.00 0.00 C ATOM 827 CD1 LEU B 40 9.040 -5.150 -7.148 1.00 0.00 C ATOM 828 CD2 LEU B 40 8.839 -6.333 -9.359 1.00 0.00 C ATOM 0 H LEU B 40 5.504 -4.511 -8.604 1.00 0.00 H new ATOM 0 HA LEU B 40 6.339 -7.048 -9.663 1.00 0.00 H new ATOM 0 HB2 LEU B 40 6.461 -5.807 -6.873 1.00 0.00 H new ATOM 0 HB3 LEU B 40 7.271 -7.292 -7.331 1.00 0.00 H new ATOM 0 HG LEU B 40 7.693 -4.616 -8.750 1.00 0.00 H new ATOM 0 HD11 LEU B 40 9.873 -4.572 -7.547 1.00 0.00 H new ATOM 0 HD12 LEU B 40 8.508 -4.555 -6.405 1.00 0.00 H new ATOM 0 HD13 LEU B 40 9.420 -6.059 -6.681 1.00 0.00 H new ATOM 0 HD21 LEU B 40 9.664 -5.739 -9.751 1.00 0.00 H new ATOM 0 HD22 LEU B 40 9.230 -7.249 -8.915 1.00 0.00 H new ATOM 0 HD23 LEU B 40 8.157 -6.586 -10.170 1.00 0.00 H new ATOM 840 N TRP B 41 3.848 -6.961 -7.494 1.00 0.00 N ATOM 841 CA TRP B 41 2.758 -7.757 -6.935 1.00 0.00 C ATOM 842 C TRP B 41 1.792 -8.234 -8.025 1.00 0.00 C ATOM 843 O TRP B 41 1.395 -9.399 -8.036 1.00 0.00 O ATOM 844 CB TRP B 41 2.005 -6.932 -5.881 1.00 0.00 C ATOM 845 CG TRP B 41 0.751 -7.636 -5.456 1.00 0.00 C ATOM 846 CD1 TRP B 41 0.670 -8.595 -4.503 1.00 0.00 C ATOM 847 CD2 TRP B 41 -0.607 -7.419 -5.928 1.00 0.00 C ATOM 848 NE1 TRP B 41 -0.648 -8.998 -4.384 1.00 0.00 N ATOM 849 CE2 TRP B 41 -1.473 -8.296 -5.238 1.00 0.00 C ATOM 850 CE3 TRP B 41 -1.164 -6.555 -6.885 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -2.842 -8.314 -5.490 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -2.543 -6.568 -7.134 1.00 0.00 C ATOM 853 CH2 TRP B 41 -3.380 -7.445 -6.438 1.00 0.00 C ATOM 0 H TRP B 41 3.838 -5.979 -7.220 1.00 0.00 H new ATOM 0 HA TRP B 41 3.188 -8.642 -6.467 1.00 0.00 H new ATOM 0 HB2 TRP B 41 2.646 -6.766 -5.015 1.00 0.00 H new ATOM 0 HB3 TRP B 41 1.758 -5.951 -6.288 1.00 0.00 H new ATOM 0 HD1 TRP B 41 1.499 -8.982 -3.929 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -0.970 -9.724 -3.744 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.526 -5.877 -7.432 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -3.484 -8.998 -4.954 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -2.962 -5.896 -7.868 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -4.442 -7.449 -6.634 1.00 0.00 H new ATOM 864 N ILE B 42 1.404 -7.334 -8.925 1.00 0.00 N ATOM 865 CA ILE B 42 0.468 -7.701 -9.986 1.00 0.00 C ATOM 866 C ILE B 42 1.099 -8.733 -10.920 1.00 0.00 C ATOM 867 O ILE B 42 0.460 -9.719 -11.292 1.00 0.00 O ATOM 868 CB ILE B 42 0.049 -6.445 -10.776 1.00 0.00 C ATOM 869 CG1 ILE B 42 -1.201 -6.744 -11.610 1.00 0.00 C ATOM 870 CG2 ILE B 42 1.177 -6.001 -11.713 1.00 0.00 C ATOM 871 CD1 ILE B 42 -1.730 -5.438 -12.209 1.00 0.00 C ATOM 0 H ILE B 42 1.716 -6.363 -8.943 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.419 -8.144 -9.534 1.00 0.00 H new ATOM 0 HB ILE B 42 -0.164 -5.648 -10.064 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -0.963 -7.452 -12.404 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -1.966 -7.209 -10.988 1.00 0.00 H new ATOM 0 HG21 ILE B 42 0.865 -5.113 -12.263 1.00 0.00 H new ATOM 0 HG22 ILE B 42 2.067 -5.771 -11.127 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.403 -6.803 -12.416 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -2.620 -5.645 -12.804 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -1.983 -4.746 -11.406 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -0.964 -4.993 -12.844 1.00 0.00 H new ATOM 883 N LEU B 43 2.357 -8.510 -11.288 1.00 0.00 N ATOM 884 CA LEU B 43 3.061 -9.437 -12.167 1.00 0.00 C ATOM 885 C LEU B 43 3.263 -10.788 -11.488 1.00 0.00 C ATOM 886 O LEU B 43 3.095 -11.838 -12.110 1.00 0.00 O ATOM 887 CB LEU B 43 4.419 -8.856 -12.567 1.00 0.00 C ATOM 888 CG LEU B 43 4.218 -7.676 -13.533 1.00 0.00 C ATOM 889 CD1 LEU B 43 5.561 -6.961 -13.732 1.00 0.00 C ATOM 890 CD2 LEU B 43 3.681 -8.171 -14.894 1.00 0.00 C ATOM 0 H LEU B 43 2.906 -7.702 -10.994 1.00 0.00 H new ATOM 0 HA LEU B 43 2.452 -9.584 -13.059 1.00 0.00 H new ATOM 0 HB2 LEU B 43 4.958 -8.524 -11.680 1.00 0.00 H new ATOM 0 HB3 LEU B 43 5.029 -9.626 -13.041 1.00 0.00 H new ATOM 0 HG LEU B 43 3.488 -6.987 -13.109 1.00 0.00 H new ATOM 0 HD11 LEU B 43 5.429 -6.122 -14.416 1.00 0.00 H new ATOM 0 HD12 LEU B 43 5.923 -6.593 -12.772 1.00 0.00 H new ATOM 0 HD13 LEU B 43 6.286 -7.659 -14.150 1.00 0.00 H new ATOM 0 HD21 LEU B 43 3.546 -7.321 -15.563 1.00 0.00 H new ATOM 0 HD22 LEU B 43 4.393 -8.869 -15.334 1.00 0.00 H new ATOM 0 HD23 LEU B 43 2.725 -8.673 -14.747 1.00 0.00 H new ATOM 902 N ASP B 44 3.626 -10.756 -10.208 1.00 0.00 N ATOM 903 CA ASP B 44 3.849 -11.988 -9.461 1.00 0.00 C ATOM 904 C ASP B 44 2.564 -12.804 -9.375 1.00 0.00 C ATOM 905 O ASP B 44 2.577 -14.024 -9.537 1.00 0.00 O ATOM 906 CB ASP B 44 4.348 -11.663 -8.047 1.00 0.00 C ATOM 907 CG ASP B 44 5.784 -11.155 -8.104 1.00 0.00 C ATOM 908 OD1 ASP B 44 6.375 -11.221 -9.170 1.00 0.00 O ATOM 909 OD2 ASP B 44 6.275 -10.705 -7.081 1.00 0.00 O ATOM 0 H ASP B 44 3.770 -9.900 -9.673 1.00 0.00 H new ATOM 0 HA ASP B 44 4.603 -12.575 -9.985 1.00 0.00 H new ATOM 0 HB2 ASP B 44 3.705 -10.911 -7.590 1.00 0.00 H new ATOM 0 HB3 ASP B 44 4.293 -12.553 -7.420 1.00 0.00 H new ATOM 914 N ARG B 45 1.455 -12.119 -9.118 1.00 0.00 N ATOM 915 CA ARG B 45 0.163 -12.787 -9.010 1.00 0.00 C ATOM 916 C ARG B 45 -0.305 -13.281 -10.377 1.00 0.00 C ATOM 917 O ARG B 45 -1.165 -14.157 -10.469 1.00 0.00 O ATOM 918 CB ARG B 45 -0.877 -11.815 -8.427 1.00 0.00 C ATOM 919 CG ARG B 45 -2.067 -12.596 -7.832 1.00 0.00 C ATOM 920 CD ARG B 45 -1.773 -12.971 -6.371 1.00 0.00 C ATOM 921 NE ARG B 45 -2.860 -13.781 -5.831 1.00 0.00 N ATOM 922 CZ ARG B 45 -3.932 -13.221 -5.278 1.00 0.00 C ATOM 923 NH1 ARG B 45 -4.038 -11.921 -5.231 1.00 0.00 N ATOM 924 NH2 ARG B 45 -4.880 -13.971 -4.787 1.00 0.00 N ATOM 0 H ARG B 45 1.424 -11.109 -8.981 1.00 0.00 H new ATOM 0 HA ARG B 45 0.271 -13.646 -8.348 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -0.416 -11.198 -7.655 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -1.230 -11.139 -9.206 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -2.972 -11.991 -7.886 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -2.250 -13.497 -8.417 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -0.834 -13.522 -6.311 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -1.651 -12.068 -5.773 1.00 0.00 H new ATOM 0 HE ARG B 45 -2.796 -14.798 -5.879 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -3.299 -11.335 -5.618 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -4.860 -11.491 -4.807 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -4.799 -14.987 -4.827 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -5.702 -13.541 -4.363 1.00 0.00 H new ATOM 1127 N VAL C 27 1.213 11.429 7.586 1.00 0.00 N ATOM 1128 CA VAL C 27 1.916 11.363 6.304 1.00 0.00 C ATOM 1129 C VAL C 27 3.222 10.585 6.441 1.00 0.00 C ATOM 1130 O VAL C 27 3.505 9.686 5.651 1.00 0.00 O ATOM 1131 CB VAL C 27 2.213 12.784 5.807 1.00 0.00 C ATOM 1132 CG1 VAL C 27 3.111 12.729 4.565 1.00 0.00 C ATOM 1133 CG2 VAL C 27 0.899 13.484 5.457 1.00 0.00 C ATOM 0 HA VAL C 27 1.279 10.847 5.586 1.00 0.00 H new ATOM 0 HB VAL C 27 2.726 13.338 6.593 1.00 0.00 H new ATOM 0 HG11 VAL C 27 3.316 13.742 4.219 1.00 0.00 H new ATOM 0 HG12 VAL C 27 4.049 12.234 4.816 1.00 0.00 H new ATOM 0 HG13 VAL C 27 2.607 12.172 3.776 1.00 0.00 H new ATOM 0 HG21 VAL C 27 1.108 14.494 5.104 1.00 0.00 H new ATOM 0 HG22 VAL C 27 0.386 12.925 4.675 1.00 0.00 H new ATOM 0 HG23 VAL C 27 0.266 13.533 6.343 1.00 0.00 H new ATOM 1143 N VAL C 28 4.010 10.936 7.449 1.00 0.00 N ATOM 1144 CA VAL C 28 5.281 10.261 7.681 1.00 0.00 C ATOM 1145 C VAL C 28 5.050 8.827 8.149 1.00 0.00 C ATOM 1146 O VAL C 28 5.730 7.900 7.709 1.00 0.00 O ATOM 1147 CB VAL C 28 6.099 11.017 8.729 1.00 0.00 C ATOM 1148 CG1 VAL C 28 6.461 12.402 8.191 1.00 0.00 C ATOM 1149 CG2 VAL C 28 5.274 11.176 10.005 1.00 0.00 C ATOM 0 H VAL C 28 3.794 11.678 8.115 1.00 0.00 H new ATOM 0 HA VAL C 28 5.832 10.241 6.741 1.00 0.00 H new ATOM 0 HB VAL C 28 7.009 10.458 8.948 1.00 0.00 H new ATOM 0 HG11 VAL C 28 7.044 12.941 8.938 1.00 0.00 H new ATOM 0 HG12 VAL C 28 7.048 12.296 7.279 1.00 0.00 H new ATOM 0 HG13 VAL C 28 5.549 12.957 7.972 1.00 0.00 H new ATOM 0 HG21 VAL C 28 5.858 11.715 10.751 1.00 0.00 H new ATOM 0 HG22 VAL C 28 4.365 11.735 9.783 1.00 0.00 H new ATOM 0 HG23 VAL C 28 5.010 10.192 10.392 1.00 0.00 H new ATOM 1159 N ALA C 29 4.084 8.658 9.046 1.00 0.00 N ATOM 1160 CA ALA C 29 3.768 7.335 9.573 1.00 0.00 C ATOM 1161 C ALA C 29 3.282 6.415 8.461 1.00 0.00 C ATOM 1162 O ALA C 29 3.639 5.240 8.417 1.00 0.00 O ATOM 1163 CB ALA C 29 2.685 7.444 10.648 1.00 0.00 C ATOM 0 H ALA C 29 3.511 9.414 9.421 1.00 0.00 H new ATOM 0 HA ALA C 29 4.675 6.916 10.008 1.00 0.00 H new ATOM 0 HB1 ALA C 29 2.456 6.451 11.035 1.00 0.00 H new ATOM 0 HB2 ALA C 29 3.041 8.077 11.460 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.785 7.881 10.215 1.00 0.00 H new ATOM 1169 N ALA C 30 2.465 6.956 7.564 1.00 0.00 N ATOM 1170 CA ALA C 30 1.938 6.163 6.460 1.00 0.00 C ATOM 1171 C ALA C 30 3.071 5.679 5.563 1.00 0.00 C ATOM 1172 O ALA C 30 3.081 4.527 5.127 1.00 0.00 O ATOM 1173 CB ALA C 30 0.957 7.000 5.638 1.00 0.00 C ATOM 0 H ALA C 30 2.156 7.928 7.578 1.00 0.00 H new ATOM 0 HA ALA C 30 1.420 5.298 6.873 1.00 0.00 H new ATOM 0 HB1 ALA C 30 0.568 6.400 4.815 1.00 0.00 H new ATOM 0 HB2 ALA C 30 0.132 7.323 6.274 1.00 0.00 H new ATOM 0 HB3 ALA C 30 1.471 7.874 5.238 1.00 0.00 H new ATOM 1179 N ASN C 31 4.024 6.563 5.292 1.00 0.00 N ATOM 1180 CA ASN C 31 5.154 6.210 4.443 1.00 0.00 C ATOM 1181 C ASN C 31 6.007 5.129 5.103 1.00 0.00 C ATOM 1182 O ASN C 31 6.447 4.188 4.444 1.00 0.00 O ATOM 1183 CB ASN C 31 6.016 7.450 4.180 1.00 0.00 C ATOM 1184 CG ASN C 31 5.262 8.447 3.304 1.00 0.00 C ATOM 1185 OD1 ASN C 31 4.217 8.058 2.624 1.00 0.00 O flip ATOM 1186 ND2 ASN C 31 5.634 9.618 3.239 1.00 0.00 N flip ATOM 0 H ASN C 31 4.037 7.520 5.644 1.00 0.00 H new ATOM 0 HA ASN C 31 4.768 5.826 3.499 1.00 0.00 H new ATOM 0 HB2 ASN C 31 6.287 7.920 5.126 1.00 0.00 H new ATOM 0 HB3 ASN C 31 6.946 7.158 3.692 1.00 0.00 H new ATOM 0 HD21 ASN C 31 6.450 9.924 3.769 1.00 0.00 H new ATOM 0 HD22 ASN C 31 5.127 10.283 2.655 1.00 0.00 H new ATOM 1193 N ILE C 32 6.239 5.272 6.406 1.00 0.00 N ATOM 1194 CA ILE C 32 7.044 4.297 7.137 1.00 0.00 C ATOM 1195 C ILE C 32 6.349 2.938 7.162 1.00 0.00 C ATOM 1196 O ILE C 32 6.979 1.903 6.949 1.00 0.00 O ATOM 1197 CB ILE C 32 7.279 4.788 8.571 1.00 0.00 C ATOM 1198 CG1 ILE C 32 8.170 6.033 8.538 1.00 0.00 C ATOM 1199 CG2 ILE C 32 7.974 3.692 9.385 1.00 0.00 C ATOM 1200 CD1 ILE C 32 8.182 6.691 9.920 1.00 0.00 C ATOM 0 H ILE C 32 5.886 6.044 6.972 1.00 0.00 H new ATOM 0 HA ILE C 32 8.003 4.187 6.630 1.00 0.00 H new ATOM 0 HB ILE C 32 6.321 5.030 9.032 1.00 0.00 H new ATOM 0 HG12 ILE C 32 9.184 5.760 8.245 1.00 0.00 H new ATOM 0 HG13 ILE C 32 7.801 6.737 7.792 1.00 0.00 H new ATOM 0 HG21 ILE C 32 8.139 4.044 10.403 1.00 0.00 H new ATOM 0 HG22 ILE C 32 7.346 2.801 9.407 1.00 0.00 H new ATOM 0 HG23 ILE C 32 8.932 3.449 8.925 1.00 0.00 H new ATOM 0 HD11 ILE C 32 8.816 7.577 9.896 1.00 0.00 H new ATOM 0 HD12 ILE C 32 7.167 6.979 10.195 1.00 0.00 H new ATOM 0 HD13 ILE C 32 8.571 5.986 10.655 1.00 0.00 H new ATOM 1212 N ILE C 33 5.045 2.953 7.422 1.00 0.00 N ATOM 1213 CA ILE C 33 4.271 1.720 7.474 1.00 0.00 C ATOM 1214 C ILE C 33 4.243 1.034 6.106 1.00 0.00 C ATOM 1215 O ILE C 33 4.401 -0.183 6.012 1.00 0.00 O ATOM 1216 CB ILE C 33 2.843 2.024 7.944 1.00 0.00 C ATOM 1217 CG1 ILE C 33 2.870 2.450 9.417 1.00 0.00 C ATOM 1218 CG2 ILE C 33 1.967 0.778 7.789 1.00 0.00 C ATOM 1219 CD1 ILE C 33 1.508 3.023 9.813 1.00 0.00 C ATOM 0 H ILE C 33 4.506 3.801 7.599 1.00 0.00 H new ATOM 0 HA ILE C 33 4.746 1.042 8.183 1.00 0.00 H new ATOM 0 HB ILE C 33 2.430 2.830 7.337 1.00 0.00 H new ATOM 0 HG12 ILE C 33 3.113 1.595 10.048 1.00 0.00 H new ATOM 0 HG13 ILE C 33 3.649 3.196 9.576 1.00 0.00 H new ATOM 0 HG21 ILE C 33 0.954 1.001 8.125 1.00 0.00 H new ATOM 0 HG22 ILE C 33 1.944 0.477 6.742 1.00 0.00 H new ATOM 0 HG23 ILE C 33 2.378 -0.033 8.390 1.00 0.00 H new ATOM 0 HD11 ILE C 33 1.531 3.325 10.860 1.00 0.00 H new ATOM 0 HD12 ILE C 33 1.283 3.889 9.191 1.00 0.00 H new ATOM 0 HD13 ILE C 33 0.739 2.264 9.671 1.00 0.00 H new ATOM 1231 N GLY C 34 4.038 1.820 5.053 1.00 0.00 N ATOM 1232 CA GLY C 34 3.987 1.264 3.701 1.00 0.00 C ATOM 1233 C GLY C 34 5.317 0.618 3.329 1.00 0.00 C ATOM 1234 O GLY C 34 5.353 -0.488 2.782 1.00 0.00 O ATOM 0 H GLY C 34 3.906 2.830 5.105 1.00 0.00 H new ATOM 0 HA2 GLY C 34 3.188 0.525 3.637 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.749 2.053 2.988 1.00 0.00 H new ATOM 1238 N ILE C 35 6.409 1.308 3.634 1.00 0.00 N ATOM 1239 CA ILE C 35 7.740 0.794 3.335 1.00 0.00 C ATOM 1240 C ILE C 35 8.004 -0.480 4.133 1.00 0.00 C ATOM 1241 O ILE C 35 8.540 -1.458 3.607 1.00 0.00 O ATOM 1242 CB ILE C 35 8.790 1.861 3.668 1.00 0.00 C ATOM 1243 CG1 ILE C 35 8.633 3.034 2.696 1.00 0.00 C ATOM 1244 CG2 ILE C 35 10.193 1.262 3.525 1.00 0.00 C ATOM 1245 CD1 ILE C 35 9.401 4.247 3.225 1.00 0.00 C ATOM 0 H ILE C 35 6.400 2.222 4.087 1.00 0.00 H new ATOM 0 HA ILE C 35 7.802 0.554 2.274 1.00 0.00 H new ATOM 0 HB ILE C 35 8.651 2.208 4.692 1.00 0.00 H new ATOM 0 HG12 ILE C 35 9.007 2.755 1.711 1.00 0.00 H new ATOM 0 HG13 ILE C 35 7.578 3.282 2.578 1.00 0.00 H new ATOM 0 HG21 ILE C 35 10.939 2.021 3.762 1.00 0.00 H new ATOM 0 HG22 ILE C 35 10.301 0.421 4.210 1.00 0.00 H new ATOM 0 HG23 ILE C 35 10.339 0.917 2.501 1.00 0.00 H new ATOM 0 HD11 ILE C 35 9.288 5.080 2.531 1.00 0.00 H new ATOM 0 HD12 ILE C 35 9.006 4.531 4.201 1.00 0.00 H new ATOM 0 HD13 ILE C 35 10.457 3.996 3.320 1.00 0.00 H new ATOM 1257 N LEU C 36 7.616 -0.463 5.403 1.00 0.00 N ATOM 1258 CA LEU C 36 7.808 -1.622 6.266 1.00 0.00 C ATOM 1259 C LEU C 36 7.046 -2.816 5.708 1.00 0.00 C ATOM 1260 O LEU C 36 7.527 -3.948 5.754 1.00 0.00 O ATOM 1261 CB LEU C 36 7.323 -1.308 7.687 1.00 0.00 C ATOM 1262 CG LEU C 36 7.561 -2.514 8.613 1.00 0.00 C ATOM 1263 CD1 LEU C 36 9.060 -2.852 8.680 1.00 0.00 C ATOM 1264 CD2 LEU C 36 7.048 -2.168 10.016 1.00 0.00 C ATOM 0 H LEU C 36 7.170 0.335 5.855 1.00 0.00 H new ATOM 0 HA LEU C 36 8.870 -1.863 6.302 1.00 0.00 H new ATOM 0 HB2 LEU C 36 7.849 -0.435 8.073 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.262 -1.059 7.669 1.00 0.00 H new ATOM 0 HG LEU C 36 7.028 -3.381 8.221 1.00 0.00 H new ATOM 0 HD11 LEU C 36 9.211 -3.707 9.339 1.00 0.00 H new ATOM 0 HD12 LEU C 36 9.423 -3.095 7.681 1.00 0.00 H new ATOM 0 HD13 LEU C 36 9.609 -1.994 9.067 1.00 0.00 H new ATOM 0 HD21 LEU C 36 7.211 -3.015 10.682 1.00 0.00 H new ATOM 0 HD22 LEU C 36 7.585 -1.299 10.396 1.00 0.00 H new ATOM 0 HD23 LEU C 36 5.982 -1.943 9.969 1.00 0.00 H new ATOM 1276 N HIS C 37 5.855 -2.557 5.178 1.00 0.00 N ATOM 1277 CA HIS C 37 5.041 -3.621 4.613 1.00 0.00 C ATOM 1278 C HIS C 37 5.806 -4.325 3.503 1.00 0.00 C ATOM 1279 O HIS C 37 5.779 -5.552 3.400 1.00 0.00 O ATOM 1280 CB HIS C 37 3.743 -3.051 4.039 1.00 0.00 C ATOM 1281 CG HIS C 37 2.902 -4.186 3.513 1.00 0.00 C ATOM 1282 ND1 HIS C 37 1.658 -4.494 4.036 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.129 -5.108 2.526 1.00 0.00 C ATOM 1284 CE1 HIS C 37 1.192 -5.563 3.366 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.050 -5.975 2.433 1.00 0.00 N ATOM 0 H HIS C 37 5.437 -1.628 5.129 1.00 0.00 H new ATOM 0 HA HIS C 37 4.804 -4.331 5.406 1.00 0.00 H new ATOM 0 HB2 HIS C 37 3.199 -2.504 4.809 1.00 0.00 H new ATOM 0 HB3 HIS C 37 3.963 -2.343 3.240 1.00 0.00 H new ATOM 0 HD2 HIS C 37 4.016 -5.153 1.912 1.00 0.00 H new ATOM 0 HE1 HIS C 37 0.238 -6.031 3.560 1.00 0.00 H new ATOM 0 HE2 HIS C 37 1.938 -6.758 1.790 1.00 0.00 H new ATOM 1293 N LEU C 38 6.491 -3.547 2.675 1.00 0.00 N ATOM 1294 CA LEU C 38 7.258 -4.117 1.574 1.00 0.00 C ATOM 1295 C LEU C 38 8.343 -5.056 2.088 1.00 0.00 C ATOM 1296 O LEU C 38 8.588 -6.099 1.492 1.00 0.00 O ATOM 1297 CB LEU C 38 7.892 -2.990 0.729 1.00 0.00 C ATOM 1298 CG LEU C 38 6.943 -2.578 -0.417 1.00 0.00 C ATOM 1299 CD1 LEU C 38 7.259 -1.155 -0.872 1.00 0.00 C ATOM 1300 CD2 LEU C 38 7.110 -3.542 -1.606 1.00 0.00 C ATOM 0 H LEU C 38 6.532 -2.530 2.743 1.00 0.00 H new ATOM 0 HA LEU C 38 6.576 -4.694 0.950 1.00 0.00 H new ATOM 0 HB2 LEU C 38 8.104 -2.128 1.362 1.00 0.00 H new ATOM 0 HB3 LEU C 38 8.844 -3.326 0.318 1.00 0.00 H new ATOM 0 HG LEU C 38 5.916 -2.621 -0.055 1.00 0.00 H new ATOM 0 HD11 LEU C 38 6.585 -0.873 -1.681 1.00 0.00 H new ATOM 0 HD12 LEU C 38 7.129 -0.468 -0.035 1.00 0.00 H new ATOM 0 HD13 LEU C 38 8.289 -1.106 -1.225 1.00 0.00 H new ATOM 0 HD21 LEU C 38 6.438 -3.246 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU C 38 8.140 -3.506 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU C 38 6.871 -4.557 -1.288 1.00 0.00 H new ATOM 1312 N ILE C 39 8.994 -4.682 3.179 1.00 0.00 N ATOM 1313 CA ILE C 39 10.055 -5.519 3.724 1.00 0.00 C ATOM 1314 C ILE C 39 9.503 -6.878 4.147 1.00 0.00 C ATOM 1315 O ILE C 39 10.105 -7.916 3.879 1.00 0.00 O ATOM 1316 CB ILE C 39 10.694 -4.823 4.930 1.00 0.00 C ATOM 1317 CG1 ILE C 39 11.422 -3.565 4.450 1.00 0.00 C ATOM 1318 CG2 ILE C 39 11.698 -5.765 5.601 1.00 0.00 C ATOM 1319 CD1 ILE C 39 11.859 -2.722 5.652 1.00 0.00 C ATOM 0 H ILE C 39 8.813 -3.822 3.697 1.00 0.00 H new ATOM 0 HA ILE C 39 10.808 -5.674 2.951 1.00 0.00 H new ATOM 0 HB ILE C 39 9.920 -4.555 5.649 1.00 0.00 H new ATOM 0 HG12 ILE C 39 12.292 -3.843 3.855 1.00 0.00 H new ATOM 0 HG13 ILE C 39 10.767 -2.980 3.804 1.00 0.00 H new ATOM 0 HG21 ILE C 39 12.149 -5.265 6.458 1.00 0.00 H new ATOM 0 HG22 ILE C 39 11.184 -6.666 5.936 1.00 0.00 H new ATOM 0 HG23 ILE C 39 12.476 -6.035 4.887 1.00 0.00 H new ATOM 0 HD11 ILE C 39 12.376 -1.829 5.301 1.00 0.00 H new ATOM 0 HD12 ILE C 39 10.982 -2.430 6.230 1.00 0.00 H new ATOM 0 HD13 ILE C 39 12.530 -3.306 6.281 1.00 0.00 H new ATOM 1331 N LEU C 40 8.362 -6.869 4.821 1.00 0.00 N ATOM 1332 CA LEU C 40 7.754 -8.112 5.276 1.00 0.00 C ATOM 1333 C LEU C 40 7.133 -8.883 4.107 1.00 0.00 C ATOM 1334 O LEU C 40 7.279 -10.101 4.013 1.00 0.00 O ATOM 1335 CB LEU C 40 6.688 -7.805 6.328 1.00 0.00 C ATOM 1336 CG LEU C 40 7.349 -7.163 7.561 1.00 0.00 C ATOM 1337 CD1 LEU C 40 6.262 -6.707 8.537 1.00 0.00 C ATOM 1338 CD2 LEU C 40 8.287 -8.171 8.260 1.00 0.00 C ATOM 0 H LEU C 40 7.843 -6.025 5.063 1.00 0.00 H new ATOM 0 HA LEU C 40 8.531 -8.737 5.715 1.00 0.00 H new ATOM 0 HB2 LEU C 40 5.937 -7.132 5.914 1.00 0.00 H new ATOM 0 HB3 LEU C 40 6.172 -8.721 6.615 1.00 0.00 H new ATOM 0 HG LEU C 40 7.940 -6.306 7.240 1.00 0.00 H new ATOM 0 HD11 LEU C 40 6.726 -6.252 9.412 1.00 0.00 H new ATOM 0 HD12 LEU C 40 5.616 -5.978 8.048 1.00 0.00 H new ATOM 0 HD13 LEU C 40 5.668 -7.567 8.848 1.00 0.00 H new ATOM 0 HD21 LEU C 40 8.745 -7.699 9.129 1.00 0.00 H new ATOM 0 HD22 LEU C 40 7.713 -9.041 8.580 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.066 -8.485 7.565 1.00 0.00 H new ATOM 1350 N TRP C 41 6.432 -8.167 3.228 1.00 0.00 N ATOM 1351 CA TRP C 41 5.784 -8.799 2.077 1.00 0.00 C ATOM 1352 C TRP C 41 6.810 -9.350 1.086 1.00 0.00 C ATOM 1353 O TRP C 41 6.664 -10.474 0.605 1.00 0.00 O ATOM 1354 CB TRP C 41 4.864 -7.784 1.385 1.00 0.00 C ATOM 1355 CG TRP C 41 4.363 -8.330 0.079 1.00 0.00 C ATOM 1356 CD1 TRP C 41 3.288 -9.138 -0.075 1.00 0.00 C ATOM 1357 CD2 TRP C 41 4.881 -8.082 -1.257 1.00 0.00 C ATOM 1358 NE1 TRP C 41 3.132 -9.422 -1.420 1.00 0.00 N ATOM 1359 CE2 TRP C 41 4.088 -8.788 -2.189 1.00 0.00 C ATOM 1360 CE3 TRP C 41 5.956 -7.322 -1.746 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 4.353 -8.741 -3.556 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 6.220 -7.267 -3.121 1.00 0.00 C ATOM 1363 CH2 TRP C 41 5.421 -7.974 -4.022 1.00 0.00 C ATOM 0 H TRP C 41 6.298 -7.158 3.289 1.00 0.00 H new ATOM 0 HA TRP C 41 5.193 -9.641 2.437 1.00 0.00 H new ATOM 0 HB2 TRP C 41 4.021 -7.548 2.034 1.00 0.00 H new ATOM 0 HB3 TRP C 41 5.405 -6.853 1.213 1.00 0.00 H new ATOM 0 HD1 TRP C 41 2.656 -9.501 0.722 1.00 0.00 H new ATOM 0 HE1 TRP C 41 2.401 -10.025 -1.797 1.00 0.00 H new ATOM 0 HE3 TRP C 41 6.584 -6.776 -1.057 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 3.737 -9.294 -4.249 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 7.046 -6.675 -3.486 1.00 0.00 H new ATOM 0 HH2 TRP C 41 5.630 -7.927 -5.081 1.00 0.00 H new ATOM 1374 N ILE C 42 7.832 -8.561 0.768 1.00 0.00 N ATOM 1375 CA ILE C 42 8.845 -9.004 -0.187 1.00 0.00 C ATOM 1376 C ILE C 42 9.616 -10.201 0.370 1.00 0.00 C ATOM 1377 O ILE C 42 9.854 -11.180 -0.337 1.00 0.00 O ATOM 1378 CB ILE C 42 9.806 -7.845 -0.509 1.00 0.00 C ATOM 1379 CG1 ILE C 42 10.610 -8.167 -1.773 1.00 0.00 C ATOM 1380 CG2 ILE C 42 10.781 -7.620 0.653 1.00 0.00 C ATOM 1381 CD1 ILE C 42 11.393 -6.924 -2.202 1.00 0.00 C ATOM 0 H ILE C 42 7.981 -7.627 1.150 1.00 0.00 H new ATOM 0 HA ILE C 42 8.350 -9.315 -1.107 1.00 0.00 H new ATOM 0 HB ILE C 42 9.214 -6.944 -0.666 1.00 0.00 H new ATOM 0 HG12 ILE C 42 11.294 -8.994 -1.583 1.00 0.00 H new ATOM 0 HG13 ILE C 42 9.941 -8.484 -2.573 1.00 0.00 H new ATOM 0 HG21 ILE C 42 11.454 -6.797 0.410 1.00 0.00 H new ATOM 0 HG22 ILE C 42 10.221 -7.376 1.556 1.00 0.00 H new ATOM 0 HG23 ILE C 42 11.363 -8.527 0.821 1.00 0.00 H new ATOM 0 HD11 ILE C 42 11.967 -7.148 -3.101 1.00 0.00 H new ATOM 0 HD12 ILE C 42 10.698 -6.110 -2.408 1.00 0.00 H new ATOM 0 HD13 ILE C 42 12.072 -6.628 -1.402 1.00 0.00 H new ATOM 1393 N LEU C 43 9.991 -10.122 1.643 1.00 0.00 N ATOM 1394 CA LEU C 43 10.722 -11.212 2.283 1.00 0.00 C ATOM 1395 C LEU C 43 9.857 -12.466 2.379 1.00 0.00 C ATOM 1396 O LEU C 43 10.332 -13.576 2.139 1.00 0.00 O ATOM 1397 CB LEU C 43 11.180 -10.792 3.680 1.00 0.00 C ATOM 1398 CG LEU C 43 12.302 -9.747 3.572 1.00 0.00 C ATOM 1399 CD1 LEU C 43 12.581 -9.168 4.965 1.00 0.00 C ATOM 1400 CD2 LEU C 43 13.592 -10.389 3.006 1.00 0.00 C ATOM 0 H LEU C 43 9.803 -9.322 2.248 1.00 0.00 H new ATOM 0 HA LEU C 43 11.595 -11.439 1.671 1.00 0.00 H new ATOM 0 HB2 LEU C 43 10.340 -10.379 4.239 1.00 0.00 H new ATOM 0 HB3 LEU C 43 11.534 -11.662 4.233 1.00 0.00 H new ATOM 0 HG LEU C 43 11.987 -8.954 2.894 1.00 0.00 H new ATOM 0 HD11 LEU C 43 13.376 -8.425 4.898 1.00 0.00 H new ATOM 0 HD12 LEU C 43 11.677 -8.698 5.351 1.00 0.00 H new ATOM 0 HD13 LEU C 43 12.889 -9.969 5.637 1.00 0.00 H new ATOM 0 HD21 LEU C 43 14.374 -9.633 2.937 1.00 0.00 H new ATOM 0 HD22 LEU C 43 13.920 -11.191 3.667 1.00 0.00 H new ATOM 0 HD23 LEU C 43 13.392 -10.795 2.015 1.00 0.00 H new ATOM 1412 N ASP C 44 8.592 -12.280 2.738 1.00 0.00 N ATOM 1413 CA ASP C 44 7.677 -13.409 2.868 1.00 0.00 C ATOM 1414 C ASP C 44 7.497 -14.109 1.526 1.00 0.00 C ATOM 1415 O ASP C 44 7.487 -15.338 1.451 1.00 0.00 O ATOM 1416 CB ASP C 44 6.317 -12.926 3.383 1.00 0.00 C ATOM 1417 CG ASP C 44 6.422 -12.534 4.854 1.00 0.00 C ATOM 1418 OD1 ASP C 44 7.459 -12.792 5.441 1.00 0.00 O ATOM 1419 OD2 ASP C 44 5.465 -11.983 5.370 1.00 0.00 O ATOM 0 H ASP C 44 8.180 -11.370 2.942 1.00 0.00 H new ATOM 0 HA ASP C 44 8.102 -14.117 3.580 1.00 0.00 H new ATOM 0 HB2 ASP C 44 5.979 -12.073 2.795 1.00 0.00 H new ATOM 0 HB3 ASP C 44 5.573 -13.713 3.261 1.00 0.00 H new ATOM 1424 N ARG C 45 7.354 -13.317 0.469 1.00 0.00 N ATOM 1425 CA ARG C 45 7.172 -13.868 -0.869 1.00 0.00 C ATOM 1426 C ARG C 45 8.462 -14.516 -1.367 1.00 0.00 C ATOM 1427 O ARG C 45 8.445 -15.330 -2.289 1.00 0.00 O ATOM 1428 CB ARG C 45 6.747 -12.751 -1.838 1.00 0.00 C ATOM 1429 CG ARG C 45 6.067 -13.352 -3.087 1.00 0.00 C ATOM 1430 CD ARG C 45 4.565 -13.540 -2.830 1.00 0.00 C ATOM 1431 NE ARG C 45 3.933 -14.184 -3.979 1.00 0.00 N ATOM 1432 CZ ARG C 45 3.482 -13.474 -5.010 1.00 0.00 C ATOM 1433 NH1 ARG C 45 3.617 -12.177 -5.018 1.00 0.00 N ATOM 1434 NH2 ARG C 45 2.909 -14.076 -6.014 1.00 0.00 N ATOM 0 H ARG C 45 7.360 -12.298 0.512 1.00 0.00 H new ATOM 0 HA ARG C 45 6.394 -14.630 -0.826 1.00 0.00 H new ATOM 0 HB2 ARG C 45 6.062 -12.067 -1.337 1.00 0.00 H new ATOM 0 HB3 ARG C 45 7.619 -12.168 -2.136 1.00 0.00 H new ATOM 0 HG2 ARG C 45 6.218 -12.696 -3.944 1.00 0.00 H new ATOM 0 HG3 ARG C 45 6.524 -14.310 -3.334 1.00 0.00 H new ATOM 0 HD2 ARG C 45 4.415 -14.146 -1.936 1.00 0.00 H new ATOM 0 HD3 ARG C 45 4.097 -12.574 -2.643 1.00 0.00 H new ATOM 0 HE ARG C 45 3.835 -15.199 -3.991 1.00 0.00 H new ATOM 0 HH11 ARG C 45 4.068 -11.706 -4.234 1.00 0.00 H new ATOM 0 HH12 ARG C 45 3.271 -11.633 -5.809 1.00 0.00 H new ATOM 0 HH21 ARG C 45 2.806 -15.091 -6.009 1.00 0.00 H new ATOM 0 HH22 ARG C 45 2.563 -13.532 -6.805 1.00 0.00 H new ATOM 1637 N VAL D 27 -6.357 12.132 2.047 1.00 0.00 N ATOM 1638 CA VAL D 27 -5.082 11.867 2.714 1.00 0.00 C ATOM 1639 C VAL D 27 -5.291 11.026 3.971 1.00 0.00 C ATOM 1640 O VAL D 27 -4.609 10.022 4.175 1.00 0.00 O ATOM 1641 CB VAL D 27 -4.412 13.196 3.090 1.00 0.00 C ATOM 1642 CG1 VAL D 27 -3.166 12.934 3.944 1.00 0.00 C ATOM 1643 CG2 VAL D 27 -4.005 13.939 1.815 1.00 0.00 C ATOM 0 HA VAL D 27 -4.442 11.312 2.028 1.00 0.00 H new ATOM 0 HB VAL D 27 -5.116 13.801 3.661 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -2.698 13.883 4.205 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -3.453 12.408 4.854 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -2.460 12.324 3.380 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -3.529 14.883 2.080 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -3.305 13.327 1.245 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -4.890 14.136 1.211 1.00 0.00 H new ATOM 1653 N VAL D 28 -6.240 11.439 4.802 1.00 0.00 N ATOM 1654 CA VAL D 28 -6.531 10.712 6.031 1.00 0.00 C ATOM 1655 C VAL D 28 -7.171 9.364 5.716 1.00 0.00 C ATOM 1656 O VAL D 28 -6.837 8.347 6.326 1.00 0.00 O ATOM 1657 CB VAL D 28 -7.469 11.530 6.920 1.00 0.00 C ATOM 1658 CG1 VAL D 28 -6.764 12.815 7.361 1.00 0.00 C ATOM 1659 CG2 VAL D 28 -8.729 11.894 6.136 1.00 0.00 C ATOM 0 H VAL D 28 -6.817 12.266 4.649 1.00 0.00 H new ATOM 0 HA VAL D 28 -5.592 10.543 6.559 1.00 0.00 H new ATOM 0 HB VAL D 28 -7.740 10.940 7.796 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -7.433 13.398 7.995 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -5.863 12.562 7.920 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -6.494 13.401 6.483 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -9.397 12.477 6.771 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -8.455 12.482 5.260 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -9.235 10.983 5.817 1.00 0.00 H new ATOM 1669 N ALA D 29 -8.096 9.368 4.765 1.00 0.00 N ATOM 1670 CA ALA D 29 -8.785 8.142 4.376 1.00 0.00 C ATOM 1671 C ALA D 29 -7.798 7.130 3.803 1.00 0.00 C ATOM 1672 O ALA D 29 -7.891 5.936 4.081 1.00 0.00 O ATOM 1673 CB ALA D 29 -9.856 8.452 3.329 1.00 0.00 C ATOM 0 H ALA D 29 -8.386 10.200 4.251 1.00 0.00 H new ATOM 0 HA ALA D 29 -9.254 7.718 5.264 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -10.365 7.531 3.045 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -10.580 9.153 3.745 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -9.388 8.894 2.449 1.00 0.00 H new ATOM 1679 N ALA D 30 -6.855 7.613 3.004 1.00 0.00 N ATOM 1680 CA ALA D 30 -5.864 6.732 2.401 1.00 0.00 C ATOM 1681 C ALA D 30 -5.014 6.070 3.477 1.00 0.00 C ATOM 1682 O ALA D 30 -4.718 4.876 3.403 1.00 0.00 O ATOM 1683 CB ALA D 30 -4.962 7.529 1.459 1.00 0.00 C ATOM 0 H ALA D 30 -6.756 8.599 2.761 1.00 0.00 H new ATOM 0 HA ALA D 30 -6.387 5.959 1.837 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.224 6.863 1.012 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.566 7.981 0.672 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.452 8.312 2.020 1.00 0.00 H new ATOM 1689 N ASN D 31 -4.623 6.849 4.481 1.00 0.00 N ATOM 1690 CA ASN D 31 -3.806 6.323 5.566 1.00 0.00 C ATOM 1691 C ASN D 31 -4.579 5.273 6.361 1.00 0.00 C ATOM 1692 O ASN D 31 -4.032 4.231 6.723 1.00 0.00 O ATOM 1693 CB ASN D 31 -3.384 7.459 6.500 1.00 0.00 C ATOM 1694 CG ASN D 31 -2.403 8.396 5.794 1.00 0.00 C ATOM 1695 OD1 ASN D 31 -1.791 7.999 4.710 1.00 0.00 O flip ATOM 1696 ND2 ASN D 31 -2.191 9.522 6.241 1.00 0.00 N flip ATOM 0 H ASN D 31 -4.857 7.838 4.565 1.00 0.00 H new ATOM 0 HA ASN D 31 -2.920 5.857 5.134 1.00 0.00 H new ATOM 0 HB2 ASN D 31 -4.262 8.018 6.822 1.00 0.00 H new ATOM 0 HB3 ASN D 31 -2.921 7.047 7.397 1.00 0.00 H new ATOM 0 HD21 ASN D 31 -2.668 9.833 7.087 1.00 0.00 H new ATOM 0 HD22 ASN D 31 -1.538 10.145 5.766 1.00 0.00 H new ATOM 1703 N ILE D 32 -5.851 5.554 6.631 1.00 0.00 N ATOM 1704 CA ILE D 32 -6.682 4.621 7.387 1.00 0.00 C ATOM 1705 C ILE D 32 -6.879 3.324 6.608 1.00 0.00 C ATOM 1706 O ILE D 32 -6.783 2.232 7.164 1.00 0.00 O ATOM 1707 CB ILE D 32 -8.042 5.261 7.687 1.00 0.00 C ATOM 1708 CG1 ILE D 32 -7.847 6.431 8.656 1.00 0.00 C ATOM 1709 CG2 ILE D 32 -8.973 4.224 8.328 1.00 0.00 C ATOM 1710 CD1 ILE D 32 -9.139 7.244 8.744 1.00 0.00 C ATOM 0 H ILE D 32 -6.325 6.410 6.342 1.00 0.00 H new ATOM 0 HA ILE D 32 -6.178 4.388 8.325 1.00 0.00 H new ATOM 0 HB ILE D 32 -8.485 5.619 6.758 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -7.572 6.058 9.643 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -7.028 7.065 8.316 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -9.939 4.683 8.540 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -9.112 3.387 7.644 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -8.531 3.864 9.257 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -8.999 8.076 9.434 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -9.394 7.630 7.757 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -9.946 6.606 9.104 1.00 0.00 H new ATOM 1722 N ILE D 33 -7.156 3.457 5.315 1.00 0.00 N ATOM 1723 CA ILE D 33 -7.367 2.292 4.462 1.00 0.00 C ATOM 1724 C ILE D 33 -6.092 1.455 4.359 1.00 0.00 C ATOM 1725 O ILE D 33 -6.140 0.228 4.435 1.00 0.00 O ATOM 1726 CB ILE D 33 -7.818 2.747 3.068 1.00 0.00 C ATOM 1727 CG1 ILE D 33 -9.229 3.340 3.159 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -7.829 1.553 2.112 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -9.577 4.046 1.846 1.00 0.00 C ATOM 0 H ILE D 33 -7.239 4.354 4.837 1.00 0.00 H new ATOM 0 HA ILE D 33 -8.144 1.670 4.906 1.00 0.00 H new ATOM 0 HB ILE D 33 -7.126 3.501 2.693 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -9.953 2.551 3.362 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -9.285 4.045 3.988 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -8.150 1.881 1.123 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -6.826 1.130 2.046 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -8.518 0.795 2.484 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -10.580 4.466 1.914 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -8.860 4.846 1.662 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -9.539 3.329 1.026 1.00 0.00 H new ATOM 1741 N GLY D 34 -4.954 2.121 4.180 1.00 0.00 N ATOM 1742 CA GLY D 34 -3.682 1.415 4.062 1.00 0.00 C ATOM 1743 C GLY D 34 -3.368 0.641 5.339 1.00 0.00 C ATOM 1744 O GLY D 34 -2.958 -0.522 5.290 1.00 0.00 O ATOM 0 H GLY D 34 -4.886 3.137 4.114 1.00 0.00 H new ATOM 0 HA2 GLY D 34 -3.720 0.729 3.216 1.00 0.00 H new ATOM 0 HA3 GLY D 34 -2.883 2.128 3.859 1.00 0.00 H new ATOM 1748 N ILE D 35 -3.572 1.288 6.480 1.00 0.00 N ATOM 1749 CA ILE D 35 -3.316 0.653 7.768 1.00 0.00 C ATOM 1750 C ILE D 35 -4.259 -0.534 7.965 1.00 0.00 C ATOM 1751 O ILE D 35 -3.845 -1.601 8.424 1.00 0.00 O ATOM 1752 CB ILE D 35 -3.504 1.676 8.893 1.00 0.00 C ATOM 1753 CG1 ILE D 35 -2.400 2.735 8.796 1.00 0.00 C ATOM 1754 CG2 ILE D 35 -3.413 0.970 10.250 1.00 0.00 C ATOM 1755 CD1 ILE D 35 -2.767 3.940 9.664 1.00 0.00 C ATOM 0 H ILE D 35 -3.912 2.248 6.541 1.00 0.00 H new ATOM 0 HA ILE D 35 -2.290 0.287 7.790 1.00 0.00 H new ATOM 0 HB ILE D 35 -4.481 2.150 8.798 1.00 0.00 H new ATOM 0 HG12 ILE D 35 -1.449 2.315 9.123 1.00 0.00 H new ATOM 0 HG13 ILE D 35 -2.271 3.047 7.759 1.00 0.00 H new ATOM 0 HG21 ILE D 35 -3.547 1.699 11.049 1.00 0.00 H new ATOM 0 HG22 ILE D 35 -4.192 0.210 10.318 1.00 0.00 H new ATOM 0 HG23 ILE D 35 -2.436 0.498 10.350 1.00 0.00 H new ATOM 0 HD11 ILE D 35 -1.981 4.692 9.594 1.00 0.00 H new ATOM 0 HD12 ILE D 35 -3.708 4.366 9.316 1.00 0.00 H new ATOM 0 HD13 ILE D 35 -2.874 3.622 10.701 1.00 0.00 H new ATOM 1767 N LEU D 36 -5.523 -0.340 7.608 1.00 0.00 N ATOM 1768 CA LEU D 36 -6.516 -1.397 7.744 1.00 0.00 C ATOM 1769 C LEU D 36 -6.117 -2.597 6.893 1.00 0.00 C ATOM 1770 O LEU D 36 -6.291 -3.744 7.301 1.00 0.00 O ATOM 1771 CB LEU D 36 -7.894 -0.888 7.312 1.00 0.00 C ATOM 1772 CG LEU D 36 -8.956 -1.988 7.493 1.00 0.00 C ATOM 1773 CD1 LEU D 36 -9.042 -2.415 8.969 1.00 0.00 C ATOM 1774 CD2 LEU D 36 -10.314 -1.443 7.035 1.00 0.00 C ATOM 0 H LEU D 36 -5.882 0.534 7.224 1.00 0.00 H new ATOM 0 HA LEU D 36 -6.565 -1.700 8.790 1.00 0.00 H new ATOM 0 HB2 LEU D 36 -8.166 -0.012 7.901 1.00 0.00 H new ATOM 0 HB3 LEU D 36 -7.862 -0.574 6.269 1.00 0.00 H new ATOM 0 HG LEU D 36 -8.680 -2.858 6.897 1.00 0.00 H new ATOM 0 HD11 LEU D 36 -9.797 -3.193 9.079 1.00 0.00 H new ATOM 0 HD12 LEU D 36 -8.075 -2.799 9.293 1.00 0.00 H new ATOM 0 HD13 LEU D 36 -9.315 -1.555 9.581 1.00 0.00 H new ATOM 0 HD21 LEU D 36 -11.075 -2.213 7.158 1.00 0.00 H new ATOM 0 HD22 LEU D 36 -10.578 -0.572 7.635 1.00 0.00 H new ATOM 0 HD23 LEU D 36 -10.255 -1.155 5.985 1.00 0.00 H new ATOM 1786 N HIS D 37 -5.579 -2.323 5.710 1.00 0.00 N ATOM 1787 CA HIS D 37 -5.159 -3.391 4.816 1.00 0.00 C ATOM 1788 C HIS D 37 -4.129 -4.269 5.508 1.00 0.00 C ATOM 1789 O HIS D 37 -4.175 -5.495 5.401 1.00 0.00 O ATOM 1790 CB HIS D 37 -4.545 -2.808 3.542 1.00 0.00 C ATOM 1791 CG HIS D 37 -4.167 -3.935 2.617 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -4.731 -4.088 1.364 1.00 0.00 N ATOM 1793 CD2 HIS D 37 -3.296 -4.982 2.760 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -4.199 -5.193 0.812 1.00 0.00 C ATOM 1795 NE2 HIS D 37 -3.316 -5.774 1.623 1.00 0.00 N ATOM 0 H HIS D 37 -5.425 -1.380 5.352 1.00 0.00 H new ATOM 0 HA HIS D 37 -6.034 -3.986 4.554 1.00 0.00 H new ATOM 0 HB2 HIS D 37 -5.256 -2.142 3.053 1.00 0.00 H new ATOM 0 HB3 HIS D 37 -3.666 -2.212 3.787 1.00 0.00 H new ATOM 0 HD2 HIS D 37 -2.684 -5.164 3.631 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -4.456 -5.564 -0.169 1.00 0.00 H new ATOM 0 HE2 HIS D 37 -2.772 -6.619 1.446 1.00 0.00 H new ATOM 1803 N LEU D 38 -3.204 -3.642 6.221 1.00 0.00 N ATOM 1804 CA LEU D 38 -2.165 -4.388 6.924 1.00 0.00 C ATOM 1805 C LEU D 38 -2.772 -5.331 7.956 1.00 0.00 C ATOM 1806 O LEU D 38 -2.302 -6.453 8.119 1.00 0.00 O ATOM 1807 CB LEU D 38 -1.181 -3.416 7.610 1.00 0.00 C ATOM 1808 CG LEU D 38 -0.008 -3.084 6.661 1.00 0.00 C ATOM 1809 CD1 LEU D 38 0.628 -1.751 7.062 1.00 0.00 C ATOM 1810 CD2 LEU D 38 1.056 -4.196 6.735 1.00 0.00 C ATOM 0 H LEU D 38 -3.150 -2.629 6.329 1.00 0.00 H new ATOM 0 HA LEU D 38 -1.623 -4.986 6.191 1.00 0.00 H new ATOM 0 HB2 LEU D 38 -1.701 -2.500 7.892 1.00 0.00 H new ATOM 0 HB3 LEU D 38 -0.800 -3.862 8.529 1.00 0.00 H new ATOM 0 HG LEU D 38 -0.390 -3.012 5.643 1.00 0.00 H new ATOM 0 HD11 LEU D 38 1.454 -1.525 6.388 1.00 0.00 H new ATOM 0 HD12 LEU D 38 -0.118 -0.959 7.001 1.00 0.00 H new ATOM 0 HD13 LEU D 38 1.002 -1.819 8.084 1.00 0.00 H new ATOM 0 HD21 LEU D 38 1.880 -3.956 6.064 1.00 0.00 H new ATOM 0 HD22 LEU D 38 1.430 -4.274 7.756 1.00 0.00 H new ATOM 0 HD23 LEU D 38 0.611 -5.146 6.438 1.00 0.00 H new ATOM 1822 N ILE D 39 -3.802 -4.877 8.656 1.00 0.00 N ATOM 1823 CA ILE D 39 -4.426 -5.712 9.673 1.00 0.00 C ATOM 1824 C ILE D 39 -5.018 -6.972 9.042 1.00 0.00 C ATOM 1825 O ILE D 39 -4.867 -8.072 9.569 1.00 0.00 O ATOM 1826 CB ILE D 39 -5.531 -4.923 10.381 1.00 0.00 C ATOM 1827 CG1 ILE D 39 -4.893 -3.784 11.181 1.00 0.00 C ATOM 1828 CG2 ILE D 39 -6.296 -5.843 11.339 1.00 0.00 C ATOM 1829 CD1 ILE D 39 -5.978 -2.834 11.699 1.00 0.00 C ATOM 0 H ILE D 39 -4.217 -3.952 8.542 1.00 0.00 H new ATOM 0 HA ILE D 39 -3.667 -6.007 10.397 1.00 0.00 H new ATOM 0 HB ILE D 39 -6.222 -4.521 9.640 1.00 0.00 H new ATOM 0 HG12 ILE D 39 -4.325 -4.190 12.018 1.00 0.00 H new ATOM 0 HG13 ILE D 39 -4.189 -3.237 10.553 1.00 0.00 H new ATOM 0 HG21 ILE D 39 -7.081 -5.276 11.839 1.00 0.00 H new ATOM 0 HG22 ILE D 39 -6.743 -6.663 10.777 1.00 0.00 H new ATOM 0 HG23 ILE D 39 -5.609 -6.246 12.083 1.00 0.00 H new ATOM 0 HD11 ILE D 39 -5.514 -2.027 12.267 1.00 0.00 H new ATOM 0 HD12 ILE D 39 -6.528 -2.415 10.856 1.00 0.00 H new ATOM 0 HD13 ILE D 39 -6.665 -3.383 12.343 1.00 0.00 H new ATOM 1841 N LEU D 40 -5.703 -6.806 7.919 1.00 0.00 N ATOM 1842 CA LEU D 40 -6.313 -7.942 7.241 1.00 0.00 C ATOM 1843 C LEU D 40 -5.253 -8.803 6.545 1.00 0.00 C ATOM 1844 O LEU D 40 -5.303 -10.031 6.608 1.00 0.00 O ATOM 1845 CB LEU D 40 -7.338 -7.441 6.224 1.00 0.00 C ATOM 1846 CG LEU D 40 -8.473 -6.704 6.954 1.00 0.00 C ATOM 1847 CD1 LEU D 40 -9.405 -6.061 5.920 1.00 0.00 C ATOM 1848 CD2 LEU D 40 -9.275 -7.682 7.840 1.00 0.00 C ATOM 0 H LEU D 40 -5.850 -5.906 7.462 1.00 0.00 H new ATOM 0 HA LEU D 40 -6.813 -8.563 7.985 1.00 0.00 H new ATOM 0 HB2 LEU D 40 -6.858 -6.773 5.508 1.00 0.00 H new ATOM 0 HB3 LEU D 40 -7.742 -8.279 5.656 1.00 0.00 H new ATOM 0 HG LEU D 40 -8.041 -5.934 7.593 1.00 0.00 H new ATOM 0 HD11 LEU D 40 -10.212 -5.537 6.433 1.00 0.00 H new ATOM 0 HD12 LEU D 40 -8.841 -5.353 5.313 1.00 0.00 H new ATOM 0 HD13 LEU D 40 -9.826 -6.835 5.278 1.00 0.00 H new ATOM 0 HD21 LEU D 40 -10.074 -7.141 8.348 1.00 0.00 H new ATOM 0 HD22 LEU D 40 -9.706 -8.466 7.218 1.00 0.00 H new ATOM 0 HD23 LEU D 40 -8.612 -8.130 8.580 1.00 0.00 H new ATOM 1860 N TRP D 41 -4.308 -8.151 5.871 1.00 0.00 N ATOM 1861 CA TRP D 41 -3.251 -8.868 5.155 1.00 0.00 C ATOM 1862 C TRP D 41 -2.316 -9.605 6.121 1.00 0.00 C ATOM 1863 O TRP D 41 -1.976 -10.765 5.893 1.00 0.00 O ATOM 1864 CB TRP D 41 -2.453 -7.882 4.291 1.00 0.00 C ATOM 1865 CG TRP D 41 -1.231 -8.543 3.727 1.00 0.00 C ATOM 1866 CD1 TRP D 41 -1.190 -9.288 2.597 1.00 0.00 C ATOM 1867 CD2 TRP D 41 0.132 -8.492 4.229 1.00 0.00 C ATOM 1868 NE1 TRP D 41 0.108 -9.720 2.393 1.00 0.00 N ATOM 1869 CE2 TRP D 41 0.960 -9.250 3.371 1.00 0.00 C ATOM 1870 CE3 TRP D 41 0.724 -7.871 5.339 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 2.325 -9.384 3.608 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 2.101 -7.999 5.576 1.00 0.00 C ATOM 1873 CH2 TRP D 41 2.899 -8.754 4.711 1.00 0.00 C ATOM 0 H TRP D 41 -4.251 -7.135 5.805 1.00 0.00 H new ATOM 0 HA TRP D 41 -3.720 -9.616 4.516 1.00 0.00 H new ATOM 0 HB2 TRP D 41 -3.080 -7.511 3.480 1.00 0.00 H new ATOM 0 HB3 TRP D 41 -2.162 -7.018 4.889 1.00 0.00 H new ATOM 0 HD1 TRP D 41 -2.033 -9.509 1.959 1.00 0.00 H new ATOM 0 HE1 TRP D 41 0.399 -10.313 1.616 1.00 0.00 H new ATOM 0 HE3 TRP D 41 0.115 -7.290 6.016 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 2.936 -9.973 2.941 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 2.547 -7.512 6.431 1.00 0.00 H new ATOM 0 HH2 TRP D 41 3.959 -8.849 4.897 1.00 0.00 H new ATOM 1884 N ILE D 42 -1.891 -8.927 7.185 1.00 0.00 N ATOM 1885 CA ILE D 42 -0.981 -9.549 8.146 1.00 0.00 C ATOM 1886 C ILE D 42 -1.667 -10.721 8.851 1.00 0.00 C ATOM 1887 O ILE D 42 -1.078 -11.790 9.009 1.00 0.00 O ATOM 1888 CB ILE D 42 -0.507 -8.504 9.175 1.00 0.00 C ATOM 1889 CG1 ILE D 42 0.721 -9.027 9.927 1.00 0.00 C ATOM 1890 CG2 ILE D 42 -1.620 -8.208 10.187 1.00 0.00 C ATOM 1891 CD1 ILE D 42 1.308 -7.899 10.780 1.00 0.00 C ATOM 0 H ILE D 42 -2.155 -7.966 7.402 1.00 0.00 H new ATOM 0 HA ILE D 42 -0.113 -9.933 7.610 1.00 0.00 H new ATOM 0 HB ILE D 42 -0.250 -7.590 8.640 1.00 0.00 H new ATOM 0 HG12 ILE D 42 0.443 -9.870 10.559 1.00 0.00 H new ATOM 0 HG13 ILE D 42 1.467 -9.391 9.221 1.00 0.00 H new ATOM 0 HG21 ILE D 42 -1.270 -7.468 10.907 1.00 0.00 H new ATOM 0 HG22 ILE D 42 -2.494 -7.820 9.664 1.00 0.00 H new ATOM 0 HG23 ILE D 42 -1.889 -9.125 10.711 1.00 0.00 H new ATOM 0 HD11 ILE D 42 2.182 -8.266 11.317 1.00 0.00 H new ATOM 0 HD12 ILE D 42 1.600 -7.070 10.136 1.00 0.00 H new ATOM 0 HD13 ILE D 42 0.560 -7.557 11.495 1.00 0.00 H new ATOM 1903 N LEU D 43 -2.915 -10.516 9.259 1.00 0.00 N ATOM 1904 CA LEU D 43 -3.668 -11.570 9.933 1.00 0.00 C ATOM 1905 C LEU D 43 -3.930 -12.741 8.991 1.00 0.00 C ATOM 1906 O LEU D 43 -3.816 -13.902 9.385 1.00 0.00 O ATOM 1907 CB LEU D 43 -5.001 -11.018 10.449 1.00 0.00 C ATOM 1908 CG LEU D 43 -4.751 -10.072 11.634 1.00 0.00 C ATOM 1909 CD1 LEU D 43 -6.058 -9.351 11.982 1.00 0.00 C ATOM 1910 CD2 LEU D 43 -4.246 -10.863 12.865 1.00 0.00 C ATOM 0 H LEU D 43 -3.423 -9.640 9.137 1.00 0.00 H new ATOM 0 HA LEU D 43 -3.072 -11.926 10.774 1.00 0.00 H new ATOM 0 HB2 LEU D 43 -5.518 -10.486 9.650 1.00 0.00 H new ATOM 0 HB3 LEU D 43 -5.649 -11.838 10.757 1.00 0.00 H new ATOM 0 HG LEU D 43 -3.988 -9.345 11.356 1.00 0.00 H new ATOM 0 HD11 LEU D 43 -5.889 -8.677 12.822 1.00 0.00 H new ATOM 0 HD12 LEU D 43 -6.398 -8.777 11.120 1.00 0.00 H new ATOM 0 HD13 LEU D 43 -6.818 -10.085 12.252 1.00 0.00 H new ATOM 0 HD21 LEU D 43 -4.075 -10.176 13.694 1.00 0.00 H new ATOM 0 HD22 LEU D 43 -4.993 -11.602 13.155 1.00 0.00 H new ATOM 0 HD23 LEU D 43 -3.314 -11.369 12.615 1.00 0.00 H new ATOM 1922 N ASP D 44 -4.280 -12.431 7.746 1.00 0.00 N ATOM 1923 CA ASP D 44 -4.559 -13.469 6.762 1.00 0.00 C ATOM 1924 C ASP D 44 -3.314 -14.310 6.507 1.00 0.00 C ATOM 1925 O ASP D 44 -3.387 -15.537 6.415 1.00 0.00 O ATOM 1926 CB ASP D 44 -5.032 -12.839 5.448 1.00 0.00 C ATOM 1927 CG ASP D 44 -6.444 -12.285 5.612 1.00 0.00 C ATOM 1928 OD1 ASP D 44 -7.043 -12.541 6.643 1.00 0.00 O ATOM 1929 OD2 ASP D 44 -6.905 -11.611 4.704 1.00 0.00 O ATOM 0 H ASP D 44 -4.376 -11.477 7.398 1.00 0.00 H new ATOM 0 HA ASP D 44 -5.346 -14.112 7.155 1.00 0.00 H new ATOM 0 HB2 ASP D 44 -4.351 -12.040 5.153 1.00 0.00 H new ATOM 0 HB3 ASP D 44 -5.015 -13.583 4.652 1.00 0.00 H new ATOM 1934 N ARG D 45 -2.172 -13.643 6.392 1.00 0.00 N ATOM 1935 CA ARG D 45 -0.911 -14.334 6.145 1.00 0.00 C ATOM 1936 C ARG D 45 -0.476 -15.123 7.380 1.00 0.00 C ATOM 1937 O ARG D 45 0.340 -16.038 7.286 1.00 0.00 O ATOM 1938 CB ARG D 45 0.177 -13.314 5.770 1.00 0.00 C ATOM 1939 CG ARG D 45 1.332 -14.013 5.025 1.00 0.00 C ATOM 1940 CD ARG D 45 1.033 -14.066 3.521 1.00 0.00 C ATOM 1941 NE ARG D 45 2.084 -14.799 2.820 1.00 0.00 N ATOM 1942 CZ ARG D 45 3.185 -14.188 2.392 1.00 0.00 C ATOM 1943 NH1 ARG D 45 3.352 -12.913 2.612 1.00 0.00 N ATOM 1944 NH2 ARG D 45 4.102 -14.865 1.757 1.00 0.00 N ATOM 0 H ARG D 45 -2.092 -12.629 6.465 1.00 0.00 H new ATOM 0 HA ARG D 45 -1.055 -15.032 5.320 1.00 0.00 H new ATOM 0 HB2 ARG D 45 -0.249 -12.532 5.142 1.00 0.00 H new ATOM 0 HB3 ARG D 45 0.556 -12.829 6.670 1.00 0.00 H new ATOM 0 HG2 ARG D 45 2.265 -13.477 5.200 1.00 0.00 H new ATOM 0 HG3 ARG D 45 1.467 -15.023 5.413 1.00 0.00 H new ATOM 0 HD2 ARG D 45 0.070 -14.547 3.352 1.00 0.00 H new ATOM 0 HD3 ARG D 45 0.958 -13.054 3.122 1.00 0.00 H new ATOM 0 HE ARG D 45 1.971 -15.799 2.655 1.00 0.00 H new ATOM 0 HH11 ARG D 45 2.638 -12.384 3.113 1.00 0.00 H new ATOM 0 HH12 ARG D 45 4.197 -12.445 2.283 1.00 0.00 H new ATOM 0 HH21 ARG D 45 3.974 -15.863 1.589 1.00 0.00 H new ATOM 0 HH22 ARG D 45 4.946 -14.396 1.429 1.00 0.00 H new